smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1ccc(N2C[C@@H]3CCCCN3[C@H]2c2cccc(OC)c2O)cc1 ZINC000001032993 837017169 /nfs/dbraw/zinc/01/71/69/837017169.db2.gz RYOFLBSHVDGRGD-PGRDOPGGSA-N 0 1 396.487 3.951 50 10 GHCAMN O=c1oc2c(ccc([O-])c2C[NH+]2CCOCC2)cc1-c1nc2ccccc2s1 ZINC000019789421 860367212 /nfs/dbraw/zinc/36/72/12/860367212.db2.gz WWGFPAXYGPAIKE-UHFFFAOYSA-N 0 1 394.452 3.608 50 10 biogenic GHCAMN Cc1cccc(NS(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1C ZINC000004660852 204061024 /nfs/dbraw/zinc/06/10/24/204061024.db2.gz CGZNVBGGHFDXFV-UHFFFAOYSA-N 0 1 391.448 3.880 50 10 GHCAMN COc1cc([N+](=O)[O-])ccc1N=Cc1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O ZINC000004982679 204099373 /nfs/dbraw/zinc/09/93/73/204099373.db2.gz SVYUZGYWSVPZNO-BOPFTXTBSA-N 0 1 380.404 3.939 50 10 GHCAMN COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)cc1 ZINC000012296397 204389477 /nfs/dbraw/zinc/38/94/77/204389477.db2.gz QNGRYTQBOXEJHD-KRWDZBQOSA-N 0 1 390.439 3.743 50 10 biogenic GHCAMN CC(=O)Nc1ccc([C@H]2c3[nH]cnc3CCN2Cc2cc(C)ccc2O)cc1 ZINC000067885666 205267065 /nfs/dbraw/zinc/26/70/65/205267065.db2.gz WGTGETUUEAWHGB-QFIPXVFZSA-N 0 1 376.460 3.530 50 10 GHCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1O ZINC000002915399 136196523 /nfs/dbraw/zinc/19/65/23/136196523.db2.gz HTXKOWACANYTOR-NTUHNPAUSA-N 0 1 393.251 3.530 50 10 GHCAMN O=C1C[C@H](NCCc2ccccn2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000100712886 570435074 /nfs/dbraw/zinc/43/50/74/570435074.db2.gz UGHKCOCIWBPMGM-UMQBKLLPSA-N 0 1 399.454 3.961 50 10 GHCAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccs1 ZINC000001105346 570755047 /nfs/dbraw/zinc/75/50/47/570755047.db2.gz ILEJGRWUYXCAPU-VQHVLOKHSA-N 0 1 383.281 3.886 50 10 GHCAMN Cc1cc(C(=O)N2CCCN(C)CC2)c(C)n1-c1ccc(Br)cc1 ZINC000097024607 861093011 /nfs/dbraw/zinc/09/30/11/861093011.db2.gz ZNFRNXGICOBWSO-UHFFFAOYSA-N 0 1 390.325 3.634 50 10 GHCAMN CCOc1ccc(N2C(=O)/C(=C/c3ccc(Cl)s3)C(=O)NC2=S)cc1 ZINC000004723881 204069892 /nfs/dbraw/zinc/06/98/92/204069892.db2.gz JOOVAYYQSGPSJF-UKTHLTGXSA-N 0 1 392.889 3.632 50 10 GHCAMN [O-]c1c([C@@H](c2ccccn2)[NH+]2CCN(c3ccccn3)CC2)ccc2cccnc21 ZINC000004247748 136196662 /nfs/dbraw/zinc/19/66/62/136196662.db2.gz OZSANKKZTCLFJI-QHCPKHFHSA-N 0 1 397.482 3.642 50 10 GHCAMN Oc1c([C@@H](c2ccccn2)N2CCN(c3ccccn3)CC2)ccc2cccnc21 ZINC000004247748 136196663 /nfs/dbraw/zinc/19/66/63/136196663.db2.gz OZSANKKZTCLFJI-QHCPKHFHSA-N 0 1 397.482 3.642 50 10 GHCAMN Cc1[nH]c2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2)C1=O ZINC000000723635 525433729 /nfs/dbraw/zinc/43/37/29/525433729.db2.gz OPOYKSDYXQJOIA-GZTJUZNOSA-N 0 1 375.453 3.616 50 10 GHCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)s1 ZINC000000636306 570212443 /nfs/dbraw/zinc/21/24/43/570212443.db2.gz VGISSPXECNEJOX-YRNVUSSQSA-N 0 1 383.281 3.886 50 10 GHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 ZINC000000708688 570297959 /nfs/dbraw/zinc/29/79/59/570297959.db2.gz LBUSALIXDQYYMD-XSFVSMFZSA-N 0 1 388.398 3.866 50 10 GHCAMN CN(C)c1ccc(/C=C2/C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000012414028 570656944 /nfs/dbraw/zinc/65/69/44/570656944.db2.gz DKSVZDXHTUQSSD-ZROIWOOFSA-N 0 1 376.243 3.521 50 10 GHCAMN CN(Cc1nnc(-c2ccccc2)o1)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000952962188 904639998 /nfs/dbraw/zinc/63/99/98/904639998.db2.gz ANPFYWBIZKPVEE-UHFFFAOYSA-N 0 1 392.459 3.566 50 10 GHCAMN COc1ccc(N2CCN(C[C@H](O)COc3cc(C)ccc3C(C)C)CC2)cc1 ZINC000020109728 570240317 /nfs/dbraw/zinc/24/03/17/570240317.db2.gz UBUIZNZBQZBQCO-NRFANRHFSA-N 0 1 398.547 3.689 50 10 GHCAMN COC(=O)c1ccc(NC(C)=C2C(C)=NN(c3ccc(OC)cc3)C2=O)cc1 ZINC000100136012 570305445 /nfs/dbraw/zinc/30/54/45/570305445.db2.gz CQBBINNXBUWCBQ-UYRXBGFRSA-N 0 1 379.416 3.590 50 10 GHCAMN CCOCCCN1C(=O)CC[C@@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CC[C@@H]21 ZINC000011838481 570437441 /nfs/dbraw/zinc/43/74/41/570437441.db2.gz FMRWGYUOTJKQBB-KNQAVFIVSA-N 0 1 396.531 3.785 50 10 GHCAMN CC(C)c1ccc(/C=C2/C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1 ZINC000016213155 845295375 /nfs/dbraw/zinc/29/53/75/845295375.db2.gz DEIODCKMINVTTP-UYRXBGFRSA-N 0 1 380.419 3.654 50 10 GHCAMN CCN(Cc1ccc(N(C)C)cc1)Cc1cc2c(cc1OCCOC)OCO2 ZINC000095453784 860588318 /nfs/dbraw/zinc/58/83/18/860588318.db2.gz MDYSCIGSFSUFHF-UHFFFAOYSA-N 0 1 386.492 3.529 50 10 GHCAMN C[N@@H+](Cc1ccccc1)Cc1c([O-])c(C(=O)N2CCOCC2)cc2ccccc21 ZINC000007814629 204252289 /nfs/dbraw/zinc/25/22/89/204252289.db2.gz QBGYHVOBVSCCJW-UHFFFAOYSA-N 0 1 390.483 3.650 50 10 GHCAMN COc1ccc(N=Cc2c(C)[nH]n(-c3ccc(C)cc3C)c2=O)c([N+](=O)[O-])c1 ZINC000100507702 570272898 /nfs/dbraw/zinc/27/28/98/570272898.db2.gz XYDHWHCYQKRAMV-LFIBNONCSA-N 0 1 380.404 3.939 50 10 GHCAMN O=C1C[C@@H](NCCc2ccccn2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000100712888 570435235 /nfs/dbraw/zinc/43/52/35/570435235.db2.gz UGHKCOCIWBPMGM-MJAPIOKUSA-N 0 1 399.454 3.961 50 10 GHCAMN COc1ccc(N2CCN(Cc3cc(=O)oc4cc(C)cc(C)c34)CC2)cc1 ZINC000054105896 570440505 /nfs/dbraw/zinc/44/05/05/570440505.db2.gz HHSAXWSTWZZCNQ-UHFFFAOYSA-N 0 1 378.472 3.741 50 10 GHCAMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000000625005 203841382 /nfs/dbraw/zinc/84/13/82/203841382.db2.gz UNLFTWXGUFGGQA-UHFFFAOYSA-N 0 1 394.452 3.677 50 10 GHCAMN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1 ZINC000005260165 204122291 /nfs/dbraw/zinc/12/22/91/204122291.db2.gz JRLOPDUBGLDLBX-UHFFFAOYSA-N 0 1 396.424 3.935 50 10 GHCAMN CCCCCCN1C(=O)NC(=O)C(=Cc2ccc(OC)c(OC)c2OC)C1=O ZINC000006782988 204204073 /nfs/dbraw/zinc/20/40/73/204204073.db2.gz WELAFDKRYAOTDV-OWBHPGMISA-N 0 1 390.436 3.595 50 10 GHCAMN COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3cc(C)ccc3O)C[C@H]21 ZINC000010214498 204331943 /nfs/dbraw/zinc/33/19/43/204331943.db2.gz ABTSMSBRYGFSQH-LJQANCHMSA-N 0 1 393.487 3.675 50 10 GHCAMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100044299 570238288 /nfs/dbraw/zinc/23/82/88/570238288.db2.gz QZNVSTWGPWBZAO-ZDLGFXPLSA-N 0 1 395.375 3.838 50 10 GHCAMN O=C([C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1)N1CCCCCC1 ZINC000001246106 570259610 /nfs/dbraw/zinc/25/96/10/570259610.db2.gz KGTFRLMZACQVPP-OAHLLOKOSA-N 0 1 395.341 3.769 50 10 GHCAMN O=C([C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1)N1CCCCCC1 ZINC000001246106 570259614 /nfs/dbraw/zinc/25/96/14/570259614.db2.gz KGTFRLMZACQVPP-OAHLLOKOSA-N 0 1 395.341 3.769 50 10 GHCAMN O=C([C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1)N1CCCCCC1 ZINC000001246108 570259637 /nfs/dbraw/zinc/25/96/37/570259637.db2.gz KGTFRLMZACQVPP-HNNXBMFYSA-N 0 1 395.341 3.769 50 10 GHCAMN O=C([C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1)N1CCCCCC1 ZINC000001246108 570259639 /nfs/dbraw/zinc/25/96/39/570259639.db2.gz KGTFRLMZACQVPP-HNNXBMFYSA-N 0 1 395.341 3.769 50 10 GHCAMN COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4Cl)[nH]n3)CC2)cc1 ZINC000046455136 570272928 /nfs/dbraw/zinc/27/29/28/570272928.db2.gz UEZJAUGXTIABOE-UHFFFAOYSA-N 0 1 396.878 3.701 50 10 GHCAMN Cc1cc(C(=O)NCc2ccc(F)c(CN(C)C)c2)c(C)n1-c1ccccn1 ZINC000115417488 570275237 /nfs/dbraw/zinc/27/52/37/570275237.db2.gz DCYGGUZOXCVDSN-UHFFFAOYSA-N 0 1 380.467 3.620 50 10 GHCAMN O=C1NC(=O)C(=Cc2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)N1 ZINC000001168722 570763627 /nfs/dbraw/zinc/76/36/27/570763627.db2.gz IBDFZJUSRSAQNR-UHFFFAOYSA-N 0 1 395.418 3.592 50 10 GHCAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(O)cc1 ZINC000001184280 570791886 /nfs/dbraw/zinc/79/18/86/570791886.db2.gz PFZYHGCTZCRRQJ-DHZHZOJOSA-N 0 1 393.251 3.530 50 10 GHCAMN O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C/c1cccc2ccccc12 ZINC000095346040 860552243 /nfs/dbraw/zinc/55/22/43/860552243.db2.gz SOOHHFKPYUPHAX-XSFVSMFZSA-N 0 1 388.398 3.683 50 10 GHCAMN COc1cccc(CN2CC3(CCOCC3)[C@H]2c2cnn(C(C)(C)C)c2)c1O ZINC000585093514 897357466 /nfs/dbraw/zinc/35/74/66/897357466.db2.gz VIAZWJBUPPBDGE-HXUWFJFHSA-N 0 1 385.508 3.706 50 10 GHCAMN Cc1ccc(C)c(NS(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC000004289699 204036764 /nfs/dbraw/zinc/03/67/64/204036764.db2.gz PEIRUDDLVWFUTA-UHFFFAOYSA-N 0 1 391.448 3.880 50 10 GHCAMN O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000004313805 204038423 /nfs/dbraw/zinc/03/84/23/204038423.db2.gz PKOFORSQGWYQOX-UHFFFAOYSA-N 0 1 397.839 3.916 50 10 GHCAMN Cc1ccc(NS(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000003877685 204021139 /nfs/dbraw/zinc/02/11/39/204021139.db2.gz HKHCPDXPVWSYRP-UHFFFAOYSA-N 0 1 377.421 3.571 50 10 GHCAMN O=C1NC(=O)N(C2CCCCCC2)C(=O)C1=CNc1cccc(C(F)(F)F)c1 ZINC000005050924 204107693 /nfs/dbraw/zinc/10/76/93/204107693.db2.gz JJUXUMQDNJTBOP-RVDMUPIBSA-N 0 1 395.381 3.802 50 10 GHCAMN Cc1ccc(-c2ccc(C=C3C(=O)NC(=O)NC3=O)o2)c(Br)c1 ZINC000009059100 204298997 /nfs/dbraw/zinc/29/89/97/204298997.db2.gz IVMPSQAPIZZBLP-UHFFFAOYSA-N 0 1 375.178 3.607 50 10 GHCAMN Cc1ccsc1/C=C1/C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O ZINC000006173941 136196866 /nfs/dbraw/zinc/19/68/66/136196866.db2.gz YPFRXISDLHVRBL-WQLSENKSSA-N 0 1 376.890 3.850 50 10 GHCAMN CSc1ccc2c(c1)[C@@H](N1CCN(CCO)CC1)Cc1ccccc1S2 ZINC000022859275 570331395 /nfs/dbraw/zinc/33/13/95/570331395.db2.gz STMRSBFWRHDXLV-IBGZPJMESA-N 0 1 386.586 3.767 50 10 GHCAMN COc1cc([N+](=O)[O-])cc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C2CCCCC2)c1[O-] ZINC000239338659 570429204 /nfs/dbraw/zinc/42/92/04/570429204.db2.gz KXCWQDNTZPHYMT-AZUAARDMSA-N 0 1 389.496 3.538 50 10 GHCAMN Cc1cc2oc(=O)c(C)c(C)c2c(O)c1C1=NN[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000013683785 570773992 /nfs/dbraw/zinc/77/39/92/570773992.db2.gz TZYRCAXEVDGTMZ-CQSZACIVSA-N 0 1 392.411 3.591 50 10 GHCAMN COc1ccc(CN2C(=O)NC(=O)/C(=C\c3cccc4ccccc34)C2=O)cc1 ZINC000001197363 570792995 /nfs/dbraw/zinc/79/29/95/570792995.db2.gz CEACBNGIRLZOIZ-DEDYPNTBSA-N 0 1 386.407 3.510 50 10 GHCAMN CCN(C)c1ccc(/C=C2/C(=O)NN(c3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000017150073 570942344 /nfs/dbraw/zinc/94/23/44/570942344.db2.gz BWMCEQSCHBLFLB-IUXPMGMMSA-N 0 1 390.270 3.911 50 10 GHCAMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)ccc1O ZINC000001299852 570956853 /nfs/dbraw/zinc/95/68/53/570956853.db2.gz KSRMNXKLEPFIBM-GXDHUFHOSA-N 0 1 382.441 3.771 50 10 GHCAMN COc1ccc(N2CCN(CCCNC(=O)Nc3cccc(C)c3C)CC2)cc1 ZINC000006785735 204205604 /nfs/dbraw/zinc/20/56/04/204205604.db2.gz CFUFKHBPHUCRAM-UHFFFAOYSA-N 0 1 396.535 3.646 50 10 GHCAMN COc1ccc(N2CCN(C[C@@H](O)COc3cc(C)ccc3C(C)C)CC2)cc1 ZINC000020109727 570240476 /nfs/dbraw/zinc/24/04/76/570240476.db2.gz UBUIZNZBQZBQCO-OAQYLSRUSA-N 0 1 398.547 3.689 50 10 GHCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1O ZINC000002915915 570520911 /nfs/dbraw/zinc/52/09/11/570520911.db2.gz KXJAXAPJZLOCDE-MDWZMJQESA-N 0 1 393.251 3.530 50 10 GHCAMN Cc1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000000980745 570742972 /nfs/dbraw/zinc/74/29/72/570742972.db2.gz NXJQNKIWOBBRPO-SFQUDFHCSA-N 0 1 389.367 3.625 50 10 GHCAMN Cc1cccc(Cn2cccc2C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c1 ZINC000013550102 570757903 /nfs/dbraw/zinc/75/79/03/570757903.db2.gz IEBVSBAHUNWETM-XDHOZWIPSA-N 0 1 389.411 3.940 50 10 GHCAMN O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)C1=CNc1ccccc1 ZINC000110373557 570935058 /nfs/dbraw/zinc/93/50/58/570935058.db2.gz DPEDCRWXVQTBQF-ZROIWOOFSA-N 0 1 392.267 3.737 50 10 GHCAMN CC[C@@H](C)c1ccccc1OC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000020807206 860647149 /nfs/dbraw/zinc/64/71/49/860647149.db2.gz DRMNDTDVQFZCHW-TZIWHRDSSA-N 0 1 398.547 3.771 50 10 GHCAMN [O-]c1ccc(-c2cnccn2)cc1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000299786928 205109302 /nfs/dbraw/zinc/10/93/02/205109302.db2.gz NZJBAHQWHLFGKT-QPJJXVBHSA-N 0 1 386.499 3.680 50 10 GHCAMN CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c(O)c3oc1c2-c1cccnc1 ZINC000085875121 205130116 /nfs/dbraw/zinc/13/01/16/205130116.db2.gz ZCSNUFPPPYMLMZ-UHFFFAOYSA-N 0 1 376.372 3.678 50 10 biogenic GHCAMN CC(C)[C@@H]1CC(=O)Oc2cc(=O)c3c(O)cc(-c4ccc(O)c(O)c4)oc-3c21 ZINC000096115761 206118358 /nfs/dbraw/zinc/11/83/58/206118358.db2.gz BTPCABAYRDUCFJ-NSHDSACASA-N 0 1 382.368 3.626 50 10 biogenic GHCAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\C=C\c1ccco1 ZINC000012363095 570646159 /nfs/dbraw/zinc/64/61/59/570646159.db2.gz XPWBUEHPRHCINX-PZXDNKHOSA-N 0 1 393.251 3.974 50 10 GHCAMN CCN1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O ZINC000004458257 570785534 /nfs/dbraw/zinc/78/55/34/570785534.db2.gz YCOCDCFOQOHGOO-WQLSENKSSA-N 0 1 379.199 3.735 50 10 GHCAMN COc1ccc(-n2[nH]c(C)c(C=Nc3cc([N+](=O)[O-])ccc3Cl)c2=O)cc1 ZINC000101112584 570814151 /nfs/dbraw/zinc/81/41/51/570814151.db2.gz XWTWKROBAQMEJB-XNTDXEJSSA-N 0 1 386.795 3.975 50 10 GHCAMN CC1=NN(c2nn[nH]n2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000102570567 570852278 /nfs/dbraw/zinc/85/22/78/570852278.db2.gz CPTKRDAXBDAYQM-YRNVUSSQSA-N 0 1 389.202 3.573 50 10 GHCAMN CCc1ccccc1N1C(=O)/C(=C\c2ccc(Cl)s2)C(=O)NC1=S ZINC000004819586 204079267 /nfs/dbraw/zinc/07/92/67/204079267.db2.gz GTJLLMBUXAFLPA-XFXZXTDPSA-N 0 1 376.890 3.795 50 10 GHCAMN CN(C)c1ccc(CN(C)C(=O)CN2CCc3sccc3[C@H]2C2CC2)cc1 ZINC000007255666 204237223 /nfs/dbraw/zinc/23/72/23/204237223.db2.gz VESKIFVZZIVEGF-JOCHJYFZSA-N 0 1 383.561 3.782 50 10 GHCAMN O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cnc(-c2ccccc2)nc1 ZINC000003771810 206213872 /nfs/dbraw/zinc/21/38/72/206213872.db2.gz VKOZIABZEIFGNX-GZTJUZNOSA-N 0 1 376.416 3.778 50 10 GHCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(Sc2ccccc2)o1 ZINC000008914107 204292895 /nfs/dbraw/zinc/29/28/95/204292895.db2.gz XZWGZXRTYIBFOH-WJDWOHSUSA-N 0 1 394.408 3.890 50 10 GHCAMN O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1cnc(-c2ccccc2)nc1 ZINC000001180674 206212166 /nfs/dbraw/zinc/21/21/66/206212166.db2.gz HCSGRABLSNGLNO-WOJGMQOQSA-N 0 1 384.395 3.646 50 10 GHCAMN Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000005010286 206214687 /nfs/dbraw/zinc/21/46/87/206214687.db2.gz FFAONVWNCQONAF-PDGQHHTCSA-N 0 1 389.367 3.625 50 10 GHCAMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000000658321 136192878 /nfs/dbraw/zinc/19/28/78/136192878.db2.gz LRTXGQIRTUIELX-SFQUDFHCSA-N 0 1 392.411 3.917 50 10 GHCAMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=CC=Cc1ccccc1[N+](=O)[O-] ZINC000001197465 570792971 /nfs/dbraw/zinc/79/29/71/570792971.db2.gz YKRRTGZXVNZKSZ-KVDBUQHUSA-N 0 1 379.397 3.823 50 10 GHCAMN Cc1ccc(/C=C2/C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)o1 ZINC000015836332 1021291441 /nfs/dbraw/zinc/29/14/41/1021291441.db2.gz RKTADGAEHCYLEY-QPEQYQDCSA-N 0 1 381.240 3.726 50 10 GHCAMN COc1cccc(CNc2ccc3c(c2)nc(CN2CCCCC2)n3C)c1O ZINC000004625754 204058635 /nfs/dbraw/zinc/05/86/35/204058635.db2.gz DVOFUESPDGSYMW-UHFFFAOYSA-N 0 1 380.492 3.886 50 10 GHCAMN Cc1ccc(N2C(=O)C(=CNc3ccc4c(c3)CCC4)C(=O)NC2=S)cc1C ZINC000009111056 204299743 /nfs/dbraw/zinc/29/97/43/204299743.db2.gz YENZZDDMEZBLEB-XDHOZWIPSA-N 0 1 391.496 3.536 50 10 GHCAMN Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 ZINC000005541393 206215687 /nfs/dbraw/zinc/21/56/87/206215687.db2.gz YPMUKGGDCGLBHG-PDGQHHTCSA-N 0 1 389.367 3.625 50 10 GHCAMN CC1(C)OC(=O)C(=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)O1 ZINC000001037670 570237266 /nfs/dbraw/zinc/23/72/66/570237266.db2.gz XMPSVXUZYWFNRT-UHFFFAOYSA-N 0 1 383.244 3.856 50 10 GHCAMN COc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)C(=O)NC2=S)cc1 ZINC000002873531 570314260 /nfs/dbraw/zinc/31/42/60/570314260.db2.gz HXJAIQJWBKQZLU-PDGQHHTCSA-N 0 1 380.469 3.650 50 10 GHCAMN COc1ccc(-c2c3c[nH]nc3nc3c4ccc(O)c(O)c4oc32)c(OC)c1 ZINC000217597305 894036250 /nfs/dbraw/zinc/03/62/50/894036250.db2.gz SSLYXMZYYWMVTK-UHFFFAOYSA-N 0 1 377.356 3.953 50 10 biogenic GHCAMN Cc1ccc(N2NC(=O)/C(=C/c3cccc(Br)c3)C2=O)cc1Cl ZINC000005547192 204138259 /nfs/dbraw/zinc/13/82/59/204138259.db2.gz QMZUKGXWUBUGHG-ZSOIEALJSA-N 0 1 391.652 3.872 50 10 GHCAMN CCc1ccccc1N1C(=O)/C(=C\c2ccc(N(CC)CC)o2)C(=O)NC1=S ZINC000012363646 204399831 /nfs/dbraw/zinc/39/98/31/204399831.db2.gz ZFNCLGWFRNJEBG-SSZFMOIBSA-N 0 1 397.500 3.520 50 10 GHCAMN COC(OC)(c1n[nH]c2c1ccc1c2C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000004817781 206214520 /nfs/dbraw/zinc/21/45/20/206214520.db2.gz ARZFYNKIHZOZHO-UHFFFAOYSA-N 0 1 398.418 3.832 50 10 GHCAMN COc1ccc(N=Cc2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)c([N+](=O)[O-])c1 ZINC000100316588 570270929 /nfs/dbraw/zinc/27/09/29/570270929.db2.gz DLLGCTNXMGUYPC-GDNBJRDFSA-N 0 1 386.795 3.975 50 10 GHCAMN COc1ccc(N2CCN([C@@H]3CCCN(C(=O)CC4=CCCCC4)C3)CC2)cc1 ZINC000012387832 570652339 /nfs/dbraw/zinc/65/23/39/570652339.db2.gz CJNSXIZMQCHPLZ-JOCHJYFZSA-N 0 1 397.563 3.699 50 10 GHCAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(C)cc1 ZINC000027532433 855093681 /nfs/dbraw/zinc/09/36/81/855093681.db2.gz NMWMCICEYSCGNY-UHFFFAOYSA-N 0 1 380.400 3.562 50 10 GHCAMN CC[C@H](C)c1ccccc1OC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000020807203 860646824 /nfs/dbraw/zinc/64/68/24/860646824.db2.gz DRMNDTDVQFZCHW-FPOVZHCZSA-N 0 1 398.547 3.771 50 10 GHCAMN Cc1[nH]c2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O ZINC000001142731 918462368 /nfs/dbraw/zinc/46/23/68/918462368.db2.gz QQEOYQUFAQVVQE-GXDHUFHOSA-N 0 1 395.871 3.961 50 10 GHCAMN Cc1ccc(NS(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c(C)c1 ZINC000004289698 204037103 /nfs/dbraw/zinc/03/71/03/204037103.db2.gz SXEAIGBOHRQSJH-UHFFFAOYSA-N 0 1 391.448 3.880 50 10 GHCAMN Cc1c(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c2ccccc2n1C ZINC000004649284 204058966 /nfs/dbraw/zinc/05/89/66/204058966.db2.gz XUVGFTUJMICVKP-PDGQHHTCSA-N 0 1 389.480 3.626 50 10 GHCAMN COc1cc([N+](=O)[O-])ccc1N=Cc1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O ZINC000004982690 204100077 /nfs/dbraw/zinc/10/00/77/204100077.db2.gz JVVHPNKRXXLKBZ-GDNBJRDFSA-N 0 1 386.795 3.975 50 10 GHCAMN CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c(O)c3oc1c2-c1cccc(O)c1 ZINC000085876973 205130889 /nfs/dbraw/zinc/13/08/89/205130889.db2.gz QQFCFBFWEUEDKA-UHFFFAOYSA-N 0 1 391.383 3.989 50 10 biogenic GHCAMN CN(C)c1ccc(/C=C2\C(=O)NN(c3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000000680374 205693660 /nfs/dbraw/zinc/69/36/60/205693660.db2.gz PJJVEPDMFBFKNJ-FRKPEAEDSA-N 0 1 376.243 3.521 50 10 GHCAMN CCCCCCNC=C1C(=O)NC(=S)N(c2cccc3ccccc32)C1=O ZINC000101042904 136195943 /nfs/dbraw/zinc/19/59/43/136195943.db2.gz FKOKVOSXLMGERG-VKAVYKQESA-N 0 1 381.501 3.641 50 10 GHCAMN COc1ccccc1N1C(=O)C(=Cc2cn(C)c3ccccc23)C(=O)NC1=S ZINC000001302431 136196458 /nfs/dbraw/zinc/19/64/58/136196458.db2.gz XBXSMLAXYWZVGC-RVDMUPIBSA-N 0 1 391.452 3.859 50 10 GHCAMN O=S(=O)(Nc1nccs1)c1ccc(NCc2cc(Cl)ccc2O)cc1 ZINC000000793992 570334431 /nfs/dbraw/zinc/33/44/31/570334431.db2.gz ZYXOXRVBILGFMQ-UHFFFAOYSA-N 0 1 395.893 3.915 50 10 GHCAMN COc1cc([N+](=O)[O-])cc(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c1[O-] ZINC000239338661 570429231 /nfs/dbraw/zinc/42/92/31/570429231.db2.gz KXCWQDNTZPHYMT-UYAOXDASSA-N 0 1 389.496 3.538 50 10 GHCAMN CCN1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O ZINC000000665247 570215049 /nfs/dbraw/zinc/21/50/49/570215049.db2.gz KSPLLJHNASWJRT-DHZHZOJOSA-N 0 1 379.199 3.735 50 10 GHCAMN CC(C)CCN(C)c1ccc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)cc1 ZINC000013800282 570791230 /nfs/dbraw/zinc/79/12/30/570791230.db2.gz LCXBESUVNGDHSN-ZHZULCJRSA-N 0 1 381.451 3.769 50 10 GHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 ZINC000001202589 570793878 /nfs/dbraw/zinc/79/38/78/570793878.db2.gz FWNWTICDDOFBGU-XSFVSMFZSA-N 0 1 388.398 3.866 50 10 GHCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cccn1Cc1ccccc1F ZINC000013896914 570799986 /nfs/dbraw/zinc/79/99/86/570799986.db2.gz IRZWBSFVDXWTFQ-GZTJUZNOSA-N 0 1 393.374 3.771 50 10 GHCAMN CN(C)c1ccc(/C=C2/C(=O)NN(c3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000016116121 570914092 /nfs/dbraw/zinc/91/40/92/570914092.db2.gz PJJVEPDMFBFKNJ-APSNUPSMSA-N 0 1 376.243 3.521 50 10 GHCAMN CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000020807209 860646844 /nfs/dbraw/zinc/64/68/44/860646844.db2.gz DRMNDTDVQFZCHW-PZJWPPBQSA-N 0 1 398.547 3.771 50 10 GHCAMN CC[C@H](C)Oc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccc(F)cc2)C1=O ZINC000004723732 204069477 /nfs/dbraw/zinc/06/94/77/204069477.db2.gz SQFQNHXGCQXWSD-IGWPVBGESA-N 0 1 398.459 3.834 50 10 GHCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000005756970 204149927 /nfs/dbraw/zinc/14/99/27/204149927.db2.gz SIHIPCSMDSDSMP-WUXMJOGZSA-N 0 1 393.251 3.530 50 10 GHCAMN COc1ccc(/C=C/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000000661039 570215133 /nfs/dbraw/zinc/21/51/33/570215133.db2.gz XMGJHEMANGCLIB-QZRSKMOPSA-N 0 1 392.480 3.700 50 10 GHCAMN COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3O)=NN2)cc1O ZINC000012297006 570293841 /nfs/dbraw/zinc/29/38/41/570293841.db2.gz ZCOWMEDZXJULJW-CQSZACIVSA-N 0 1 394.427 3.577 50 10 biogenic GHCAMN O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(Br)cc1Cl ZINC000005121229 570420557 /nfs/dbraw/zinc/42/05/57/570420557.db2.gz SVIVUWMNACYVKQ-UHFFFAOYSA-N 0 1 390.642 3.632 50 10 GHCAMN O=C1NC(=O)C(=C/C=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1 ZINC000004536197 204050988 /nfs/dbraw/zinc/05/09/88/204050988.db2.gz FMAFXJUEXNHKBM-OWOJBTEDSA-N 0 1 377.183 3.559 50 10 GHCAMN COc1cc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc([N+](=O)[O-])c1O ZINC000036143498 205007310 /nfs/dbraw/zinc/00/73/10/205007310.db2.gz SBFVPYOZTFJZNT-LZYBPNLTSA-N 0 1 381.388 3.732 50 10 GHCAMN Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)o1 ZINC000022184949 570306900 /nfs/dbraw/zinc/30/69/00/570306900.db2.gz IUVHEGUATWJXPO-YRNVUSSQSA-N 0 1 381.240 3.726 50 10 GHCAMN O=C(NN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)c1cccs1 ZINC000001412535 570990009 /nfs/dbraw/zinc/99/00/09/570990009.db2.gz DRISUHCIBKPHCX-XYOKQWHBSA-N 0 1 380.903 3.948 50 10 GHCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1C(C)C ZINC000000642268 206311659 /nfs/dbraw/zinc/31/16/59/206311659.db2.gz PFRLERCKNRZMFC-YVLHZVERSA-N 0 1 385.464 3.656 50 10 GHCAMN CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(CC)c2C)C(=O)NC1=S ZINC000001126931 206356372 /nfs/dbraw/zinc/35/63/72/206356372.db2.gz JBDHIEGRCBQLIF-SFQUDFHCSA-N 0 1 381.501 3.519 50 10 GHCAMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2c[nH]c3ccccc23)C(=O)NC1=S ZINC000001134131 206357694 /nfs/dbraw/zinc/35/76/94/206357694.db2.gz BKZCGDDUMIFZFE-NTEUORMPSA-N 0 1 395.871 3.961 50 10 GHCAMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1 ZINC000002099499 206398701 /nfs/dbraw/zinc/39/87/01/206398701.db2.gz QCPCFLRTZVCUPT-SFQUDFHCSA-N 0 1 392.411 3.917 50 10 GHCAMN C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(O)c(Cl)c3)cc2F)C[C@H](C)O1 ZINC000057372505 132451209 /nfs/dbraw/zinc/45/12/09/132451209.db2.gz QKGPGZONIWNWKU-BETUJISGSA-N 0 1 392.858 3.728 50 10 GHCAMN CCOC(=O)c1ccc(N2C[C@H]3CCCCN3[C@@H]2c2cccc(OC)c2O)cc1 ZINC000004299709 570366468 /nfs/dbraw/zinc/36/64/68/570366468.db2.gz RYOFLBSHVDGRGD-GCJKJVERSA-N 0 1 396.487 3.951 50 10 GHCAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(OC)c2O)N3)C1 ZINC000004556399 570883027 /nfs/dbraw/zinc/88/30/27/570883027.db2.gz HOZUUFPYKKEUMS-MRXNPFEDSA-N 0 1 393.896 3.923 50 10 GHCAMN COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c(O)c4oc32)cc2c1OCO2 ZINC000217718807 894288100 /nfs/dbraw/zinc/28/81/00/894288100.db2.gz HIBVUNCNAGGQBD-UHFFFAOYSA-N 0 1 391.339 3.673 50 10 biogenic GHCAMN COc1ccc(N2C(=O)C(=Cc3cccn3C(C)(C)C)C(=O)NC2=S)cc1 ZINC000000642269 206312178 /nfs/dbraw/zinc/31/21/78/206312178.db2.gz RYRHKOMWUNSCET-VBKFSLOCSA-N 0 1 383.473 3.923 50 10 GHCAMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccccc1 ZINC000017299994 207088611 /nfs/dbraw/zinc/08/86/11/207088611.db2.gz SPXGKDMELWNCBN-XSFVSMFZSA-N 0 1 391.471 3.889 50 10 GHCAMN COc1ccc(-c2coc3c(ccc([O-])c3C[NH+]3CCSCC3)c2=O)cc1 ZINC000085879540 208101465 /nfs/dbraw/zinc/10/14/65/208101465.db2.gz BPMPOUSHENUIGR-UHFFFAOYSA-N 0 1 383.469 3.723 50 10 biogenic GHCAMN Cc1c(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c2ccccc2n1C ZINC000005784031 136195025 /nfs/dbraw/zinc/19/50/25/136195025.db2.gz FHZCDUNBOZHNJT-PDGQHHTCSA-N 0 1 389.480 3.626 50 10 GHCAMN COc1ccc(N2CCN(CCCNC(=O)Nc3cc(C)ccc3C)CC2)cc1 ZINC000006785733 570592156 /nfs/dbraw/zinc/59/21/56/570592156.db2.gz DZWDWEAZUQNWCD-UHFFFAOYSA-N 0 1 396.535 3.646 50 10 GHCAMN COc1cc(Br)c(CNCc2ccc(N(C)C)cc2)cc1OC ZINC000017318060 570704343 /nfs/dbraw/zinc/70/43/43/570704343.db2.gz LTAQTKYIXJHRPU-UHFFFAOYSA-N 0 1 379.298 3.822 50 10 GHCAMN CCn1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000013553121 570758249 /nfs/dbraw/zinc/75/82/49/570758249.db2.gz IGNSBUAPDSWGHL-PTNGSMBKSA-N 0 1 393.443 3.632 50 10 GHCAMN Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1C1CCCC1 ZINC000000665192 206313897 /nfs/dbraw/zinc/31/38/97/206313897.db2.gz NYIVNNBOJCGRQK-MOSHPQCFSA-N 0 1 391.471 3.882 50 10 GHCAMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OC ZINC000017194683 207086786 /nfs/dbraw/zinc/08/67/86/207086786.db2.gz MJTKRVDUVQKIIJ-XFXZXTDPSA-N 0 1 386.404 3.515 50 10 GHCAMN C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(Cl)c2[O-])N3)C1 ZINC000020101334 207177182 /nfs/dbraw/zinc/17/71/82/207177182.db2.gz GMPHDVGWIINCED-CQSZACIVSA-N 0 1 384.288 3.603 50 10 GHCAMN C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(Cl)c2[O-])N3)C1 ZINC000020101334 207177187 /nfs/dbraw/zinc/17/71/87/207177187.db2.gz GMPHDVGWIINCED-CQSZACIVSA-N 0 1 384.288 3.603 50 10 GHCAMN COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)cc1 ZINC000012296398 570293913 /nfs/dbraw/zinc/29/39/13/570293913.db2.gz QNGRYTQBOXEJHD-QGZVFWFLSA-N 0 1 390.439 3.743 50 10 biogenic GHCAMN CCCCc1[nH]nc2c1CN(C(=O)[C@@H]1Nc3ccccc3[C@@H]3C=CC[C@@H]31)CC2 ZINC000104626170 570303235 /nfs/dbraw/zinc/30/32/35/570303235.db2.gz DBIZCBPSBRHLTL-GIMINZRKSA-N 0 1 376.504 3.791 50 10 GHCAMN Cc1cccc(N2NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c1 ZINC000004952458 570419503 /nfs/dbraw/zinc/41/95/03/570419503.db2.gz ADVMFJNIQLFCPI-ATVHPVEESA-N 0 1 389.367 3.625 50 10 GHCAMN CC[C@@H](C)Oc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccc(F)cc2)C1=O ZINC000004723731 570862410 /nfs/dbraw/zinc/86/24/10/570862410.db2.gz SQFQNHXGCQXWSD-KAECEXQPSA-N 0 1 398.459 3.834 50 10 GHCAMN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(-n2c(C)ccc2C)cc1 ZINC000003997653 862697848 /nfs/dbraw/zinc/69/78/48/862697848.db2.gz DLDNFAPIBXTKPD-UHFFFAOYSA-N 0 1 384.457 3.682 50 10 GHCAMN CCCn1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 ZINC000002375266 857054555 /nfs/dbraw/zinc/05/45/55/857054555.db2.gz FLEUZOSQWCXRON-CPNJWEJPSA-N 0 1 387.439 3.918 50 10 GHCAMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000001195084 918516965 /nfs/dbraw/zinc/51/69/65/918516965.db2.gz OSKHGEDXRLITPG-MDWZMJQESA-N 0 1 377.252 3.825 50 10 GHCAMN COc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000001197459 206367054 /nfs/dbraw/zinc/36/70/54/206367054.db2.gz OHSGJXJUWYJXHH-QGOAFFKASA-N 0 1 388.448 3.680 50 10 GHCAMN COc1ccc(N2CC[NH+](Cc3cc(-c4ccccn4)ccc3[O-])CC2)cc1 ZINC000064015120 136156725 /nfs/dbraw/zinc/15/67/25/136156725.db2.gz VFJRHXAGVHEMJT-UHFFFAOYSA-N 0 1 375.472 3.785 50 10 GHCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1c(Cl)cccc1Cl ZINC000002283507 136193422 /nfs/dbraw/zinc/19/34/22/136193422.db2.gz FITOOGLFTJMLHO-XYOKQWHBSA-N 0 1 395.242 3.964 50 10 GHCAMN Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O ZINC000001134951 136195970 /nfs/dbraw/zinc/19/59/70/136195970.db2.gz KJXXJPCYTPQLKR-DHZHZOJOSA-N 0 1 376.890 3.850 50 10 GHCAMN O=C1NC(=O)C(=Cc2ccccc2Oc2ccc(Cl)cc2Cl)C(=O)N1 ZINC000004050220 570355594 /nfs/dbraw/zinc/35/55/94/570355594.db2.gz NHCACBWUUHBNDM-UHFFFAOYSA-N 0 1 377.183 3.535 50 10 GHCAMN Cc1ccc(C)n1-c1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000053990753 570436841 /nfs/dbraw/zinc/43/68/41/570436841.db2.gz GOTPPDXWMVRMFB-UHFFFAOYSA-N 0 1 388.515 3.884 50 10 GHCAMN C[C@H]1CN(c2ccc(CNC(=O)c3ccc(O)c(Cl)c3)cc2F)C[C@H](C)O1 ZINC000057372507 862065640 /nfs/dbraw/zinc/06/56/40/862065640.db2.gz QKGPGZONIWNWKU-STQMWFEESA-N 0 1 392.858 3.728 50 10 GHCAMN COc1cccc(N2C(=O)C(=Cc3cn(C)c4ccccc34)C(=O)NC2=S)c1 ZINC000002277815 856360413 /nfs/dbraw/zinc/36/04/13/856360413.db2.gz AISIGWPPWNAELV-YVLHZVERSA-N 0 1 391.452 3.859 50 10 GHCAMN COc1ccc(N2CCN(C[C@@H](O)COc3ccccc3C(C)(C)C)CC2)cc1 ZINC000020347319 207188091 /nfs/dbraw/zinc/18/80/91/207188091.db2.gz KOPOEFLWKCWVCH-HXUWFJFHSA-N 0 1 398.547 3.555 50 10 GHCAMN CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000020807200 207215207 /nfs/dbraw/zinc/21/52/07/207215207.db2.gz DRMNDTDVQFZCHW-CTNGQTDRSA-N 0 1 398.547 3.771 50 10 GHCAMN CCOc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C(=O)NC2=S)cc1 ZINC000002878825 847733085 /nfs/dbraw/zinc/73/30/85/847733085.db2.gz RNAGMMKYUYYYFQ-LFIBNONCSA-N 0 1 386.860 3.570 50 10 GHCAMN COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 ZINC000010214496 857420194 /nfs/dbraw/zinc/42/01/94/857420194.db2.gz ABTSMSBRYGFSQH-IBGZPJMESA-N 0 1 393.487 3.675 50 10 GHCAMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c2ccccc12 ZINC000012420209 883159791 /nfs/dbraw/zinc/15/97/91/883159791.db2.gz MSDQEWXQAWPSIE-AQTBWJFISA-N 0 1 388.448 3.680 50 10 GHCAMN CCCCCCNC=C1C(=O)NC(=S)N(c2cccc3ccccc32)C1=O ZINC000001758529 206391391 /nfs/dbraw/zinc/39/13/91/206391391.db2.gz FKOKVOSXLMGERG-SAPNQHFASA-N 0 1 381.501 3.641 50 10 GHCAMN COc1ccc([C@@H](c2ccc3c(OC)cccc3c2[O-])[NH+]2CCN(C)CC2)cc1 ZINC000022935330 207264623 /nfs/dbraw/zinc/26/46/23/207264623.db2.gz SHGIENHXAMWUBU-QHCPKHFHSA-N 0 1 392.499 3.899 50 10 GHCAMN COC(=O)c1ccc([C@H](c2c(O)ccc3ccccc32)N2CCOCC2)cc1 ZINC000025561815 207304700 /nfs/dbraw/zinc/30/47/00/207304700.db2.gz YMCQRYCRSDWBJA-JOCHJYFZSA-N 0 1 377.440 3.754 50 10 GHCAMN COc1cc([N+](=O)[O-])ccc1N=Cc1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O ZINC000096793232 208324030 /nfs/dbraw/zinc/32/40/30/208324030.db2.gz SVYUZGYWSVPZNO-GZTJUZNOSA-N 0 1 380.404 3.939 50 10 GHCAMN CCCCc1[nH]nc2c1CN(C(=O)[C@@H]1Nc3ccccc3[C@@H]3C=CC[C@H]31)CC2 ZINC000019742702 570254523 /nfs/dbraw/zinc/25/45/23/570254523.db2.gz DBIZCBPSBRHLTL-LBUQITIBSA-N 0 1 376.504 3.791 50 10 GHCAMN Cn1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000001249219 570950302 /nfs/dbraw/zinc/95/03/02/570950302.db2.gz RPAGJXAPAFJSHC-GXDHUFHOSA-N 0 1 379.416 3.989 50 10 GHCAMN Cc1cc(C(=O)CSc2nc(N)cc(N)n2)c(C)n1-c1ccc(C)c(C)c1 ZINC000003524590 862468456 /nfs/dbraw/zinc/46/84/56/862468456.db2.gz MIKLKIRTUJVMQI-UHFFFAOYSA-N 0 1 381.505 3.640 50 10 GHCAMN CN(CC(=O)NC(C)(C)C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000008147863 856011303 /nfs/dbraw/zinc/01/13/03/856011303.db2.gz HIXHFPYGKMTBTG-UHFFFAOYSA-N 0 1 379.298 3.654 50 10 GHCAMN CCCCCCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CCN3CCCC)C1=O ZINC000009111246 856802737 /nfs/dbraw/zinc/80/27/37/856802737.db2.gz QSUQSTYGEIZELC-KNTRCKAVSA-N 0 1 397.519 3.891 50 10 GHCAMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cccs1 ZINC000000657179 206312962 /nfs/dbraw/zinc/31/29/62/206312962.db2.gz YTMGVGLVYQSCEK-JXMROGBWSA-N 0 1 383.281 3.886 50 10 GHCAMN COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)cc1 ZINC000015680558 207056178 /nfs/dbraw/zinc/05/61/78/207056178.db2.gz CMCCYUWMRKCLGF-UHFFFAOYSA-N 0 1 396.878 3.701 50 10 GHCAMN CCc1ccccc1N1C(=O)/C(=C/c2ccc(N(CC)CC)o2)C(=O)NC1=S ZINC000001186439 136196128 /nfs/dbraw/zinc/19/61/28/136196128.db2.gz ZFNCLGWFRNJEBG-DTQAZKPQSA-N 0 1 397.500 3.520 50 10 GHCAMN Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)o1 ZINC000001198331 136196255 /nfs/dbraw/zinc/19/62/55/136196255.db2.gz SYYBXSNDBWGPQN-YRNVUSSQSA-N 0 1 381.240 3.726 50 10 GHCAMN O=C1N[C@H](c2cc(Br)cc(Br)c2O)Nc2ccccc21 ZINC000049537144 570268471 /nfs/dbraw/zinc/26/84/71/570268471.db2.gz UZUICZNQVRKNHR-CYBMUJFWSA-N 0 1 398.054 3.771 50 10 GHCAMN Cc1cc2oc(=O)cc(C)c2c(O)c1C1=NN[C@H](c2ccc(N(C)C)cc2)C1 ZINC000012296424 570293919 /nfs/dbraw/zinc/29/39/19/570293919.db2.gz LIURVZZZOFUGCO-INIZCTEOSA-N 0 1 377.444 3.620 50 10 biogenic GHCAMN COc1ccc(N2CCN([C@H]3CCCN(C(=O)CC4=CCCCC4)C3)CC2)cc1 ZINC000012387833 570652420 /nfs/dbraw/zinc/65/24/20/570652420.db2.gz CJNSXIZMQCHPLZ-QFIPXVFZSA-N 0 1 397.563 3.699 50 10 GHCAMN COc1cc([N+](=O)[O-])cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1O ZINC000013548738 570757487 /nfs/dbraw/zinc/75/74/87/570757487.db2.gz VJMQTQRNBZUCRH-RIYZIHGNSA-N 0 1 388.426 3.715 50 10 GHCAMN Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000013773725 570788893 /nfs/dbraw/zinc/78/88/93/570788893.db2.gz WELUUSWIZNGHRN-YVLHZVERSA-N 0 1 377.375 3.820 50 10 GHCAMN CC1=NN(c2nn[nH]n2)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000102653652 570855948 /nfs/dbraw/zinc/85/59/48/570855948.db2.gz NCMUPEKWOMUHJR-YRNVUSSQSA-N 0 1 389.202 3.573 50 10 GHCAMN COc1ccc([C@H]2CCCCCN2CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000009468406 857207141 /nfs/dbraw/zinc/20/71/41/857207141.db2.gz OIJGLIJTJIWHRP-HSZRJFAPSA-N 0 1 395.547 3.995 50 10 GHCAMN CCOC(=O)c1c(C)n(-c2cccc(OC)c2)c2ccc([O-])c(C[NH+](C)C)c21 ZINC000095763236 860663836 /nfs/dbraw/zinc/66/38/36/860663836.db2.gz ZQZXRYDAPMTXER-UHFFFAOYSA-N 0 1 382.460 3.891 50 10 GHCAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4)c(C)oc32)CC1 ZINC000020395325 206296287 /nfs/dbraw/zinc/29/62/87/206296287.db2.gz JTLYLIWWPNIZKT-UHFFFAOYSA-N 0 1 378.472 3.612 50 10 biogenic GHCAMN COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O ZINC000017299979 207087798 /nfs/dbraw/zinc/08/77/98/207087798.db2.gz OVVBIPWODFLCHE-QGOAFFKASA-N 0 1 378.428 3.643 50 10 GHCAMN COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)c(C)c1 ZINC000095349930 208156931 /nfs/dbraw/zinc/15/69/31/208156931.db2.gz FTJPALUJPDWRJD-UHFFFAOYSA-N 0 1 375.475 3.631 50 10 GHCAMN Cc1ccc(N2C(=O)C(=CNc3ccc4c(c3)CCC4)C(=O)NC2=S)cc1C ZINC000101072488 136196285 /nfs/dbraw/zinc/19/62/85/136196285.db2.gz YENZZDDMEZBLEB-UNOMPAQXSA-N 0 1 391.496 3.536 50 10 GHCAMN COc1ccc(N2CCN(C(=O)c3cc(-c4cccc(Cl)c4)[nH]n3)CC2)cc1 ZINC000046455135 570272872 /nfs/dbraw/zinc/27/28/72/570272872.db2.gz PJJKIOQZWVIBPK-UHFFFAOYSA-N 0 1 396.878 3.701 50 10 GHCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000002892788 570317376 /nfs/dbraw/zinc/31/73/76/570317376.db2.gz VKGZTEVOMHJBMV-ZROIWOOFSA-N 0 1 392.267 3.737 50 10 GHCAMN Cc1cc(C(=O)CSc2nc(N)cc(N)n2)c(C)n1-c1ccc(Cl)cc1 ZINC000006533257 570469094 /nfs/dbraw/zinc/46/90/94/570469094.db2.gz OKBYMROBWPOMJF-UHFFFAOYSA-N 0 1 387.896 3.677 50 10 GHCAMN COc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccc(Cl)cc2)C1=O ZINC000033343653 570644974 /nfs/dbraw/zinc/64/49/74/570644974.db2.gz PYNCSKTWUGLVCT-PDGQHHTCSA-N 0 1 378.815 3.963 50 10 GHCAMN Cn1cc(C=C2C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000013775398 570789447 /nfs/dbraw/zinc/78/94/47/570789447.db2.gz LSOQJRLDRFPCRI-PDGQHHTCSA-N 0 1 391.402 3.862 50 10 GHCAMN CC1=NN(c2nn[nH]n2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000102570493 570852449 /nfs/dbraw/zinc/85/24/49/570852449.db2.gz FSMXTXYEMXAQIB-YRNVUSSQSA-N 0 1 389.202 3.573 50 10 GHCAMN Cc1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000005614043 887391988 /nfs/dbraw/zinc/39/19/88/887391988.db2.gz JEOSHHADGPASFG-SFQUDFHCSA-N 0 1 389.367 3.625 50 10 GHCAMN Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)s1 ZINC000000686749 206316988 /nfs/dbraw/zinc/31/69/88/206316988.db2.gz HUOYRIMDXKBRKL-MDWZMJQESA-N 0 1 376.890 3.850 50 10 GHCAMN COc1ccc(N2CCN(C[C@](C)(O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000058322919 136155321 /nfs/dbraw/zinc/15/53/21/136155321.db2.gz YTPMZQWPRQMQET-FQEVSTJZSA-N 0 1 394.437 3.744 50 10 GHCAMN CN1CCN(c2ccc(CNC(=O)CCc3cccc4ccccc43)cc2)CC1 ZINC000067338883 136164662 /nfs/dbraw/zinc/16/46/62/136164662.db2.gz OSQISIWRONLNHG-UHFFFAOYSA-N 0 1 387.527 3.841 50 10 GHCAMN COCCn1c(C)cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c1C ZINC000009013360 570546366 /nfs/dbraw/zinc/54/63/66/570546366.db2.gz CHOSKRBPZYPNAV-LDADJPATSA-N 0 1 397.500 3.731 50 10 GHCAMN CCN(CC)c1ccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)c(OC)c1 ZINC000004046433 570925013 /nfs/dbraw/zinc/92/50/13/570925013.db2.gz BTFFHRPQBYDBKY-WOJGMQOQSA-N 0 1 399.878 3.656 50 10 GHCAMN COc1ccc([C@@H]2CCCCCN2CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000009468407 857207564 /nfs/dbraw/zinc/20/75/64/857207564.db2.gz OIJGLIJTJIWHRP-QHCPKHFHSA-N 0 1 395.547 3.995 50 10 GHCAMN Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)o1 ZINC000001095359 206352074 /nfs/dbraw/zinc/35/20/74/206352074.db2.gz NPVMAJPOEZXPGG-JXMROGBWSA-N 0 1 381.240 3.726 50 10 GHCAMN COc1ccc2ccc(O)c(CN3Cc4c(OC)ccc(OC)c4[C@H](O)C3)c2c1 ZINC000029543444 207364038 /nfs/dbraw/zinc/36/40/38/207364038.db2.gz QMLZSWNIQROQSL-HXUWFJFHSA-N 0 1 395.455 3.620 50 10 GHCAMN O=C(CCC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1)NCc1cccnc1 ZINC000011820957 570586142 /nfs/dbraw/zinc/58/61/42/570586142.db2.gz WANZMEGAJJVLMH-UHFFFAOYSA-N 0 1 387.911 3.749 50 10 GHCAMN COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3O)=NN2)c(OC)c1 ZINC000012390576 570643034 /nfs/dbraw/zinc/64/30/34/570643034.db2.gz RYWHQQNPZUYHIE-HNNXBMFYSA-N 0 1 394.427 3.571 50 10 GHCAMN Cc1cccc(N2C(=O)C(=Cc3cn(C)c4ccccc34)C(=O)NC2=S)c1 ZINC000006898280 570694944 /nfs/dbraw/zinc/69/49/44/570694944.db2.gz JJZSWDZHSAZVDN-BOPFTXTBSA-N 0 1 375.453 3.729 50 10 GHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000001200421 570713761 /nfs/dbraw/zinc/71/37/61/570713761.db2.gz YFMUTBKOQXAFGM-KGENOOAVSA-N 0 1 388.398 3.866 50 10 GHCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1ccc(-c2ccccc2Cl)o1 ZINC000013661273 570767786 /nfs/dbraw/zinc/76/77/86/570767786.db2.gz ZOSROTOQIPMLSC-GDNBJRDFSA-N 0 1 396.786 3.855 50 10 GHCAMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000101346798 570821012 /nfs/dbraw/zinc/82/10/12/570821012.db2.gz VAKGBAJIHLXWCS-XNTDXEJSSA-N 0 1 381.348 3.530 50 10 GHCAMN CN1CCN(c2ccc(CNC(=O)C3(c4ccccc4)CCCC3)cc2)CC1 ZINC000071375471 570832404 /nfs/dbraw/zinc/83/24/04/570832404.db2.gz POKWLUWIXABNMP-UHFFFAOYSA-N 0 1 377.532 3.567 50 10 GHCAMN CCOC(=O)c1ccc(N2C[C@H]3CCCCN3[C@H]2c2cccc(OC)c2O)cc1 ZINC000248320329 206282008 /nfs/dbraw/zinc/28/20/08/206282008.db2.gz RYOFLBSHVDGRGD-XMSQKQJNSA-N 0 1 396.487 3.951 50 10 GHCAMN CCN1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O ZINC000000665128 206314456 /nfs/dbraw/zinc/31/44/56/206314456.db2.gz YCOCDCFOQOHGOO-XYOKQWHBSA-N 0 1 379.199 3.735 50 10 GHCAMN O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000001070393 206348291 /nfs/dbraw/zinc/34/82/91/206348291.db2.gz SOOHHFKPYUPHAX-ZHZULCJRSA-N 0 1 388.398 3.683 50 10 GHCAMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1C1CCCC1 ZINC000017299985 207088653 /nfs/dbraw/zinc/08/86/53/207088653.db2.gz NYIVNNBOJCGRQK-DEDYPNTBSA-N 0 1 391.471 3.882 50 10 GHCAMN Cc1[nH]c2ccccc2c1C=C1C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O ZINC000017044923 221375692 /nfs/dbraw/zinc/37/56/92/221375692.db2.gz ZUEBZDGNHIXBJM-LDADJPATSA-N 0 1 391.402 3.524 50 10 GHCAMN CCn1cc(/C=C2\C(=O)NC(=O)N([C@@H](C)c3ccccc3)C2=O)c2ccccc21 ZINC000005478040 570608161 /nfs/dbraw/zinc/60/81/61/570608161.db2.gz SDOHFGKMYDTTDO-SJPXOZHESA-N 0 1 387.439 3.884 50 10 GHCAMN [O-]c1ccc(-c2cnccn2)cc1C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000012206166 570626030 /nfs/dbraw/zinc/62/60/30/570626030.db2.gz CQQULPJNMWFCQR-UHFFFAOYSA-N 0 1 395.890 3.986 50 10 GHCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2)o1 ZINC000013660039 570767794 /nfs/dbraw/zinc/76/77/94/570767794.db2.gz GMMISOORLXTWLH-YBEGLDIGSA-N 0 1 396.786 3.855 50 10 GHCAMN Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c1 ZINC000004747740 570959548 /nfs/dbraw/zinc/95/95/48/570959548.db2.gz BUDXHUZGHISUJY-XMHGGMMESA-N 0 1 377.444 3.580 50 10 GHCAMN COc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc12 ZINC000015837294 1021291410 /nfs/dbraw/zinc/29/14/10/1021291410.db2.gz RKANHWWVUGDTAJ-AQTBWJFISA-N 0 1 378.428 3.643 50 10 GHCAMN CCc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)n[nH]2)cc1 ZINC000015680548 207055579 /nfs/dbraw/zinc/05/55/79/207055579.db2.gz PVCJHDNLBXWGFX-UHFFFAOYSA-N 0 1 390.487 3.610 50 10 GHCAMN COc1ccc(N2CCN(CCCNc3nc4ccccc4s3)CC2)cc1 ZINC000026761330 207320168 /nfs/dbraw/zinc/32/01/68/207320168.db2.gz ZNOGRQCUYMXCNG-UHFFFAOYSA-N 0 1 382.533 3.929 50 10 GHCAMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000100041139 208371511 /nfs/dbraw/zinc/37/15/11/208371511.db2.gz ORQSHZOYUXLXSX-YBEGLDIGSA-N 0 1 395.375 3.838 50 10 GHCAMN C[C@@H](c1ccccc1)N1C(=O)NC(=O)C(=Cc2coc3ccccc3c2=O)C1=O ZINC000032975769 570570050 /nfs/dbraw/zinc/57/00/50/570570050.db2.gz HFCIWXHMGUJBFK-MFVBVHDHSA-N 0 1 388.379 3.856 50 10 GHCAMN Cc1cc2oc(=O)c(C)c(C)c2c(O)c1C1=NN[C@@H](c2ccc(N(C)C)cc2)C1 ZINC000013683567 570773983 /nfs/dbraw/zinc/77/39/83/570773983.db2.gz KJLMXSPHPDUEJQ-QGZVFWFLSA-N 0 1 391.471 3.929 50 10 GHCAMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 ZINC000004747737 570959413 /nfs/dbraw/zinc/95/94/13/570959413.db2.gz SXXIWUAIRYIFME-XMHGGMMESA-N 0 1 377.444 3.580 50 10 GHCAMN COc1cccc(N2C(=O)C(=Cc3c[nH]c4ccccc34)C(=O)NC2=S)c1 ZINC000038170716 910888775 /nfs/dbraw/zinc/88/87/75/910888775.db2.gz WNVGYIUXMJWVOH-SXGWCWSVSA-N 0 1 377.425 3.848 50 10 GHCAMN Cn1cc(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c2ccccc21 ZINC000017138224 207086766 /nfs/dbraw/zinc/08/67/66/207086766.db2.gz BZNHVPKYKRIRPH-SXGWCWSVSA-N 0 1 379.416 3.989 50 10 GHCAMN COc1ccc(N=Cc2c(C)[nH]n(-c3cccc(Cl)c3)c2=O)c([N+](=O)[O-])c1 ZINC000100535675 208376312 /nfs/dbraw/zinc/37/63/12/208376312.db2.gz PLQJZXNBEODRGC-XNTDXEJSSA-N 0 1 386.795 3.975 50 10 GHCAMN O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=CNc1cc(Cl)cc(Cl)c1 ZINC000006138849 570276486 /nfs/dbraw/zinc/27/64/86/570276486.db2.gz HENJMTNIFXFPOZ-OQLLNIDSSA-N 0 1 390.226 3.568 50 10 GHCAMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)C1=Cc1nc2ccccc2[nH]1 ZINC000006813989 570618074 /nfs/dbraw/zinc/61/80/74/570618074.db2.gz VYGNMMQMSRFKFX-KTKRTIGZSA-N 0 1 382.832 3.888 50 10 GHCAMN CCCCc1[nH]nc2c1CN(C(=O)[C@@H]1Nc3ccccc3[C@H]3C=CC[C@@H]31)CC2 ZINC000042451651 570619412 /nfs/dbraw/zinc/61/94/12/570619412.db2.gz DBIZCBPSBRHLTL-ULYRPOKDSA-N 0 1 376.504 3.791 50 10 GHCAMN O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)C1=CC=Cc1ccccc1[N+](=O)[O-] ZINC000013773522 570789044 /nfs/dbraw/zinc/78/90/44/570789044.db2.gz LOQZCFPUBMWEFZ-QCWVPXHQSA-N 0 1 395.346 3.792 50 10 GHCAMN CN(C)c1ccc(CN(C)C(=O)CN2CCc3sccc3[C@@H]2C2CC2)cc1 ZINC000007255665 570821322 /nfs/dbraw/zinc/82/13/22/570821322.db2.gz VESKIFVZZIVEGF-QFIPXVFZSA-N 0 1 383.561 3.782 50 10 GHCAMN CC(C)(C)N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O ZINC000017028290 570937659 /nfs/dbraw/zinc/93/76/59/570937659.db2.gz VSORXOGOTUTJNW-QGOAFFKASA-N 0 1 378.428 3.526 50 10 GHCAMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1 ZINC000000664577 206314929 /nfs/dbraw/zinc/31/49/29/206314929.db2.gz WGKGBVCPRDPGJV-SFQUDFHCSA-N 0 1 380.469 3.533 50 10 GHCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000001198325 136196170 /nfs/dbraw/zinc/19/61/70/136196170.db2.gz QSIGHVKPNYLGCC-RIYZIHGNSA-N 0 1 377.252 3.825 50 10 GHCAMN COc1cc([N+](=O)[O-])cc(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)c1[O-] ZINC000005032747 570425191 /nfs/dbraw/zinc/42/51/91/570425191.db2.gz KXCWQDNTZPHYMT-QUCCMNQESA-N 0 1 389.496 3.538 50 10 GHCAMN COc1cc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)ccc1OC(C)C ZINC000005384526 570436816 /nfs/dbraw/zinc/43/68/16/570436816.db2.gz CISDISWKTQEFHP-YBEGLDIGSA-N 0 1 386.835 3.597 50 10 GHCAMN Cc1ccc(NC=C2C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)c(C)c1 ZINC000005613734 570448912 /nfs/dbraw/zinc/44/89/12/570448912.db2.gz XHARJLCKDJNVIV-XNTDXEJSSA-N 0 1 383.835 3.531 50 10 GHCAMN CCOc1ccc(-c2cnc(NCc3cccc(OC)c3O)n2CCOC)cc1 ZINC000004679313 570825253 /nfs/dbraw/zinc/82/52/53/570825253.db2.gz NJVVUORWGQEFJR-UHFFFAOYSA-N 0 1 397.475 3.922 50 10 GHCAMN CCCCc1[nH]nc2c1CN(C(=O)[C@@H]1Nc3ccccc3[C@H]3C=CC[C@H]31)CC2 ZINC000019742706 207156520 /nfs/dbraw/zinc/15/65/20/207156520.db2.gz DBIZCBPSBRHLTL-ZDPZECHZSA-N 0 1 376.504 3.791 50 10 GHCAMN COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3O)=NN2)cc1 ZINC000012296966 570293567 /nfs/dbraw/zinc/29/35/67/570293567.db2.gz PVHLEDPJIDIXJJ-INIZCTEOSA-N 0 1 378.428 3.871 50 10 biogenic GHCAMN COc1ccc(N2C(=O)C(=Cc3cn(C)c4ccccc34)C(=O)NC2=S)cc1 ZINC000004180982 570361702 /nfs/dbraw/zinc/36/17/02/570361702.db2.gz DFQFHCADUQTFJB-BOPFTXTBSA-N 0 1 391.452 3.859 50 10 biogenic GHCAMN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(N4CCCC4)o3)C(=O)NC2=S)c1 ZINC000008739930 570539094 /nfs/dbraw/zinc/53/90/94/570539094.db2.gz CXZLDKARDIAXAY-ATVHPVEESA-N 0 1 395.484 3.739 50 10 GHCAMN COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3O)=NN2)c(OC)c1 ZINC000012390577 570643022 /nfs/dbraw/zinc/64/30/22/570643022.db2.gz RYWHQQNPZUYHIE-OAHLLOKOSA-N 0 1 394.427 3.571 50 10 GHCAMN CCN1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O ZINC000004458256 570785566 /nfs/dbraw/zinc/78/55/66/570785566.db2.gz KSPLLJHNASWJRT-FLIBITNWSA-N 0 1 379.199 3.735 50 10 GHCAMN CC[C@H](C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000032765338 570802938 /nfs/dbraw/zinc/80/29/38/570802938.db2.gz QHZWPBHQFHPATF-QHCPKHFHSA-N 0 1 395.547 3.517 50 10 GHCAMN CC1=NN(c2nn[nH]n2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000102653656 570855958 /nfs/dbraw/zinc/85/59/58/570855958.db2.gz NJBKCFLXUVWCAM-KPKJPENVSA-N 0 1 389.202 3.573 50 10 GHCAMN CCc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000170625298 570882145 /nfs/dbraw/zinc/88/21/45/570882145.db2.gz ZXVWPQWIBGYAGE-UHFFFAOYSA-N 0 1 395.455 3.637 50 10 biogenic GHCAMN CCCCOc1ccc(/C=C2\C(=O)NN(c3ccc(C)cc3)C2=O)cc1OC ZINC000002907205 209117382 /nfs/dbraw/zinc/11/73/82/209117382.db2.gz VCJQBWHTNCXORX-QGOAFFKASA-N 0 1 380.444 3.644 50 10 GHCAMN CC[NH+]1CCN(Cc2c([O-])ccc3cc(-c4ccc(Cl)cc4)c(=O)oc32)CC1 ZINC000020605107 206297395 /nfs/dbraw/zinc/29/73/95/206297395.db2.gz WPLMWXVNWMUXQH-UHFFFAOYSA-N 0 1 398.890 3.957 50 10 GHCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1C(C)C ZINC000017193825 207086957 /nfs/dbraw/zinc/08/69/57/207086957.db2.gz PFRLERCKNRZMFC-LICLKQGHSA-N 0 1 385.464 3.656 50 10 GHCAMN Cc1ccc(Cn2cccc2C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000008767611 221057152 /nfs/dbraw/zinc/05/71/52/221057152.db2.gz FXGKMRKANULZKV-XDHOZWIPSA-N 0 1 389.411 3.940 50 10 GHCAMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000002277165 136193476 /nfs/dbraw/zinc/19/34/76/136193476.db2.gz XCCDPJCSSHMRJE-QGOAFFKASA-N 0 1 397.475 3.503 50 10 GHCAMN COc1cc([N+](=O)[O-])cc(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)c1[O-] ZINC000239338660 570429353 /nfs/dbraw/zinc/42/93/53/570429353.db2.gz KXCWQDNTZPHYMT-ICSRJNTNSA-N 0 1 389.496 3.538 50 10 GHCAMN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000036011746 570509052 /nfs/dbraw/zinc/50/90/52/570509052.db2.gz UEIOGLYZGLKTDM-NTEUORMPSA-N 0 1 388.426 3.715 50 10 GHCAMN CCOc1ccc(C=C2C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1 ZINC000008995264 856694614 /nfs/dbraw/zinc/69/46/14/856694614.db2.gz KUSRNXBGTZNERI-QGOAFFKASA-N 0 1 382.391 3.769 50 10 GHCAMN COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c(O)c4oc32)cc(OC)c1O ZINC000217801816 894487238 /nfs/dbraw/zinc/48/72/38/894487238.db2.gz PPRJQZBGTXQWFM-UHFFFAOYSA-N 0 1 393.355 3.658 50 10 biogenic GHCAMN COC(=O)c1ccc(-c2c3c[nH]nc3nc3c4ccc(O)c(O)c4oc32)cc1 ZINC000217901089 894649495 /nfs/dbraw/zinc/64/94/95/894649495.db2.gz ZTKMHMVKKVZWLE-UHFFFAOYSA-N 0 1 375.340 3.722 50 10 biogenic GHCAMN COc1ccc(CC(=O)c2ccc([O-])c(C[N@H+]3CCCC[C@@H]3C)c2O)cc1OC ZINC000023135318 209238246 /nfs/dbraw/zinc/23/82/46/209238246.db2.gz DLJDTWLGKBTGRS-HNNXBMFYSA-N 0 1 399.487 3.915 50 10 biogenic GHCAMN CC(=O)Nc1ccc([C@@H]2c3[nH]cnc3CCN2Cc2cc(C)ccc2O)cc1 ZINC000067885668 211026792 /nfs/dbraw/zinc/02/67/92/211026792.db2.gz WGTGETUUEAWHGB-JOCHJYFZSA-N 0 1 376.460 3.530 50 10 GHCAMN COc1cc([C@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3O)=NN2)ccc1O ZINC000012296828 570293607 /nfs/dbraw/zinc/29/36/07/570293607.db2.gz UTKWCMYNMXQZJE-CQSZACIVSA-N 0 1 394.427 3.577 50 10 biogenic GHCAMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)C1=CNc1cccc(Cl)c1 ZINC000005595957 842509594 /nfs/dbraw/zinc/50/95/94/842509594.db2.gz LZMQNKOGNKMFSK-XFXZXTDPSA-N 0 1 392.267 3.737 50 10 GHCAMN Cn1cc(/C=C2/C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)c2ccccc21 ZINC000004817112 570235459 /nfs/dbraw/zinc/23/54/59/570235459.db2.gz DOEWZTFSLBZFSM-AQTBWJFISA-N 0 1 377.444 3.531 50 10 GHCAMN CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c(O)c3oc1c2-c1ccc(O)cc1 ZINC000085877155 570263303 /nfs/dbraw/zinc/26/33/03/570263303.db2.gz HTOGRZFKGFYYFM-UHFFFAOYSA-N 0 1 391.383 3.989 50 10 biogenic GHCAMN COc1ccc([C@H](c2ccc3c(OC)cccc3c2[O-])[NH+]2CCN(C)CC2)cc1 ZINC000022935327 570338130 /nfs/dbraw/zinc/33/81/30/570338130.db2.gz SHGIENHXAMWUBU-HSZRJFAPSA-N 0 1 392.499 3.899 50 10 GHCAMN CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000005127999 570422060 /nfs/dbraw/zinc/42/20/60/570422060.db2.gz XYNPIESOLSTTDZ-PDGQHHTCSA-N 0 1 383.879 3.956 50 10 GHCAMN COc1ccc(N2CCN(C[C@H](O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000051092647 570799152 /nfs/dbraw/zinc/79/91/52/570799152.db2.gz VCSNTPALGPDVIM-IBGZPJMESA-N 0 1 380.410 3.570 50 10 GHCAMN COc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)C(=O)NC2=S)cc1 ZINC000002873530 847657547 /nfs/dbraw/zinc/65/75/47/847657547.db2.gz HXJAIQJWBKQZLU-LDADJPATSA-N 0 1 380.469 3.650 50 10 GHCAMN O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000008994683 879321721 /nfs/dbraw/zinc/32/17/21/879321721.db2.gz SROBZTHPSXUDJE-GZTJUZNOSA-N 0 1 377.375 3.852 50 10 GHCAMN Cc1[nH]c2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O ZINC000001147318 918465285 /nfs/dbraw/zinc/46/52/85/918465285.db2.gz IAPKMAAREITIMS-MHWRWJLKSA-N 0 1 395.871 3.961 50 10 GHCAMN COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)c(C)c4)[nH]n3)CC2)cc1 ZINC000015680553 210162420 /nfs/dbraw/zinc/16/24/20/210162420.db2.gz JNDCWOATXUTNGR-UHFFFAOYSA-N 0 1 390.487 3.665 50 10 GHCAMN CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc([O-])c(C[NH+](C)C)c21 ZINC000000755626 209264004 /nfs/dbraw/zinc/26/40/04/209264004.db2.gz UJYXJHAUJAVUPS-UHFFFAOYSA-N 0 1 382.460 3.891 50 10 GHCAMN Cc1[nH]n(-c2ccccc2C)c(=O)c1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100931031 211394138 /nfs/dbraw/zinc/39/41/38/211394138.db2.gz XEKYZFSLXGDMKK-MHWRWJLKSA-N 0 1 381.348 3.530 50 10 GHCAMN CCc1nnc(N=Cc2c(C)[nH]n(-c3ccc(Br)cc3)c2=O)s1 ZINC000102780085 570861826 /nfs/dbraw/zinc/86/18/26/570861826.db2.gz XTSWRTKGGTWXGS-WQLSENKSSA-N 0 1 392.282 3.582 50 10 GHCAMN COCCn1c(C)cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c1C ZINC000033349589 570994596 /nfs/dbraw/zinc/99/45/96/570994596.db2.gz CHOSKRBPZYPNAV-PDGQHHTCSA-N 0 1 397.500 3.731 50 10 GHCAMN CCN(CC)c1ccc([C@H]2NC(=O)N=C(C)C2C(=O)OCc2ccccc2)cc1 ZINC000000847237 209271343 /nfs/dbraw/zinc/27/13/43/209271343.db2.gz SLJQAIUPQUBJDR-OAQYLSRUSA-N 0 1 393.487 3.904 50 10 GHCAMN COc1ccc(N=Cc2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)c([N+](=O)[O-])c1 ZINC000100316591 211386485 /nfs/dbraw/zinc/38/64/85/211386485.db2.gz DLLGCTNXMGUYPC-XNTDXEJSSA-N 0 1 386.795 3.975 50 10 GHCAMN Cc1cccc(N2C(=O)/C(=C\c3cccn3-c3ccccc3)C(=O)NC2=S)c1 ZINC000004468381 136193903 /nfs/dbraw/zinc/19/39/03/136193903.db2.gz IJVSJWRGHYXNIJ-RGEXLXHISA-N 0 1 387.464 3.617 50 10 GHCAMN CCc1cccc(CC)c1NC=C1C(=O)NC(=S)N(c2ccccc2C)C1=O ZINC000002990344 570323691 /nfs/dbraw/zinc/32/36/91/570323691.db2.gz VVHUNVNZNUCKRB-LGMDPLHJSA-N 0 1 393.512 3.864 50 10 GHCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1nc2ccccc2[nH]1 ZINC000006813986 570618151 /nfs/dbraw/zinc/61/81/51/570618151.db2.gz CDICUBDJWVPZDQ-XFXZXTDPSA-N 0 1 382.832 3.888 50 10 GHCAMN Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000004663410 570811938 /nfs/dbraw/zinc/81/19/38/570811938.db2.gz BFTVNJCFYZRDMP-MKMNVTDBSA-N 0 1 394.656 3.690 50 10 GHCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(Cl)c1 ZINC000105815816 570932588 /nfs/dbraw/zinc/93/25/88/570932588.db2.gz QGBPYQCHMDYFDK-NTEUORMPSA-N 0 1 392.267 3.737 50 10 GHCAMN CC(C)[C@H]1CC(=O)Oc2cc(=O)c3c(O)cc(-c4ccc(O)c(O)c4)oc-3c21 ZINC000096115762 860786928 /nfs/dbraw/zinc/78/69/28/860786928.db2.gz BTPCABAYRDUCFJ-LLVKDONJSA-N 0 1 382.368 3.626 50 10 biogenic GHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 ZINC000014257500 210114228 /nfs/dbraw/zinc/11/42/28/210114228.db2.gz YFMUTBKOQXAFGM-STZFKDTASA-N 0 1 388.398 3.866 50 10 GHCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)[nH]1 ZINC000013551134 210066837 /nfs/dbraw/zinc/06/68/37/210066837.db2.gz BNKNDAKWXLFJCD-YRNVUSSQSA-N 0 1 394.283 3.770 50 10 GHCAMN Cc1c2ccc([O-])c(C[NH+]3CCOCC3)c2oc(=O)c1-c1ccc(Cl)cc1 ZINC000020605051 209235488 /nfs/dbraw/zinc/23/54/88/209235488.db2.gz JGBMTWYWBCNSBS-UHFFFAOYSA-N 0 1 385.847 3.960 50 10 GHCAMN COc1cc([C@@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3O)=NN2)ccc1O ZINC000012296827 570293587 /nfs/dbraw/zinc/29/35/87/570293587.db2.gz UTKWCMYNMXQZJE-AWEZNQCLSA-N 0 1 394.427 3.577 50 10 biogenic GHCAMN CCOc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000064688572 570519697 /nfs/dbraw/zinc/51/96/97/570519697.db2.gz XQNNNVIQVUOPDU-LJQANCHMSA-N 0 1 393.487 3.756 50 10 GHCAMN CCOc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000064688573 570520030 /nfs/dbraw/zinc/52/00/30/570520030.db2.gz XQNNNVIQVUOPDU-IBGZPJMESA-N 0 1 393.487 3.756 50 10 GHCAMN O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)C1=CNc1ccccc1 ZINC000005660516 570684872 /nfs/dbraw/zinc/68/48/72/570684872.db2.gz DPEDCRWXVQTBQF-NTEUORMPSA-N 0 1 392.267 3.737 50 10 GHCAMN O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccs1 ZINC000001178468 918489663 /nfs/dbraw/zinc/48/96/63/918489663.db2.gz WEUKAZHFIQCUKB-GHXNOFRVSA-N 0 1 383.281 3.886 50 10 GHCAMN CCN(CC)c1ccc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)o1 ZINC000016956232 210199760 /nfs/dbraw/zinc/19/97/60/210199760.db2.gz RTTYDINDKZRLFW-PTNGSMBKSA-N 0 1 387.436 3.937 50 10 GHCAMN CCCCOc1ccc(/C=C2/C(=O)NN(c3cccc(C)c3)C2=O)cc1OC ZINC000016225182 210187100 /nfs/dbraw/zinc/18/71/00/210187100.db2.gz KHUHCDPIGAXSSE-AQTBWJFISA-N 0 1 380.444 3.644 50 10 GHCAMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(CC)c3C)C(=O)NC2=S)cc1 ZINC000002830533 209389361 /nfs/dbraw/zinc/38/93/61/209389361.db2.gz LDBOFENLMPMJGP-LDADJPATSA-N 0 1 381.501 3.519 50 10 GHCAMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1c[nH]c2ccccc12 ZINC000004823054 136194079 /nfs/dbraw/zinc/19/40/79/136194079.db2.gz YHHJDNMMEYRZDO-UKTHLTGXSA-N 0 1 381.844 3.653 50 10 GHCAMN CCCCOc1ccc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)cc1OC ZINC000016672023 919447945 /nfs/dbraw/zinc/44/79/45/919447945.db2.gz VCJQBWHTNCXORX-AQTBWJFISA-N 0 1 380.444 3.644 50 10 GHCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC ZINC000015822111 210171097 /nfs/dbraw/zinc/17/10/97/210171097.db2.gz BZTMKVIYGAJALZ-GDNBJRDFSA-N 0 1 386.835 3.599 50 10 GHCAMN COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)cc4C)[nH]n3)CC2)cc1 ZINC000015680556 210162299 /nfs/dbraw/zinc/16/22/99/210162299.db2.gz QTWJELVXEYADKB-UHFFFAOYSA-N 0 1 390.487 3.665 50 10 GHCAMN CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c1O ZINC000015011125 210143225 /nfs/dbraw/zinc/14/32/25/210143225.db2.gz HPMRLNWFYJULSV-MLPAPPSSSA-N 0 1 382.463 3.556 50 10 GHCAMN Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccccc2)C(=O)NC1=S ZINC000002308659 209355921 /nfs/dbraw/zinc/35/59/21/209355921.db2.gz SNUCGGXRUJAODS-NBVRZTHBSA-N 0 1 387.464 3.617 50 10 GHCAMN COc1cc2c(cc1OC)C[N@@H+](Cc1c([O-])ccc3c(C)c(C)c(=O)oc31)CC2 ZINC000085876796 211178098 /nfs/dbraw/zinc/17/80/98/211178098.db2.gz HWIRARWBCYMOHO-UHFFFAOYSA-N 0 1 395.455 3.691 50 10 biogenic GHCAMN COc1ccc(N2CCN(C[C@H](O)COc3ccccc3C(C)(C)C)CC2)cc1 ZINC000096134159 136184127 /nfs/dbraw/zinc/18/41/27/136184127.db2.gz KOPOEFLWKCWVCH-FQEVSTJZSA-N 0 1 398.547 3.555 50 10 GHCAMN O=C1N[C@@H](c2cc(Br)cc(Br)c2O)Nc2ccccc21 ZINC000049537145 570268456 /nfs/dbraw/zinc/26/84/56/570268456.db2.gz UZUICZNQVRKNHR-ZDUSSCGKSA-N 0 1 398.054 3.771 50 10 GHCAMN CCN(C)c1ccc(/C=C2\C(=O)NN(c3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000000677664 570290032 /nfs/dbraw/zinc/29/00/32/570290032.db2.gz BWMCEQSCHBLFLB-CAOOACKPSA-N 0 1 390.270 3.911 50 10 GHCAMN CCn1cc(/C=C2\C(=O)NC(=O)N([C@H](C)c3ccccc3)C2=O)c2ccccc21 ZINC000005478041 570608144 /nfs/dbraw/zinc/60/81/44/570608144.db2.gz SDOHFGKMYDTTDO-DQPIFXJKSA-N 0 1 387.439 3.884 50 10 GHCAMN Cc1cccc(N2NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c1 ZINC000004815213 571048326 /nfs/dbraw/zinc/04/83/26/571048326.db2.gz DYJWJPKSPDBIID-LDADJPATSA-N 0 1 389.367 3.625 50 10 GHCAMN C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(O)c(Cl)c3)cc2F)C[C@@H](C)O1 ZINC000057372509 862065375 /nfs/dbraw/zinc/06/53/75/862065375.db2.gz QKGPGZONIWNWKU-CHWSQXEVSA-N 0 1 392.858 3.728 50 10 GHCAMN Cn1cc(C=C2C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000002287478 854928385 /nfs/dbraw/zinc/92/83/85/854928385.db2.gz LSOQJRLDRFPCRI-LDADJPATSA-N 0 1 391.402 3.862 50 10 GHCAMN COC(=O)C[C@H](c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2)C(C)C ZINC000096221824 914264163 /nfs/dbraw/zinc/26/41/63/914264163.db2.gz FXNUPXSZXYWPKE-ZDUSSCGKSA-N 0 1 398.411 3.880 50 10 biogenic GHCAMN Cn1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21 ZINC000017124332 210206211 /nfs/dbraw/zinc/20/62/11/210206211.db2.gz BXMANSWYTWAOQD-YBEGLDIGSA-N 0 1 379.416 3.989 50 10 GHCAMN CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc(-c3cccc(OC)n3)ccc2[O-])C1 ZINC000014881129 210129579 /nfs/dbraw/zinc/12/95/79/210129579.db2.gz LGJXCKUDSLURJA-SFHVURJKSA-N 0 1 397.519 3.543 50 10 GHCAMN CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cc(-c3cccc(OC)n3)ccc2[O-])C1 ZINC000014881129 210129582 /nfs/dbraw/zinc/12/95/82/210129582.db2.gz LGJXCKUDSLURJA-SFHVURJKSA-N 0 1 397.519 3.543 50 10 GHCAMN O=c1[nH]n2c([nH]c3c(c2=O)CCCC3)c1N=Nc1cccc(C(F)(F)F)c1 ZINC000103674905 570296199 /nfs/dbraw/zinc/29/61/99/570296199.db2.gz JIXXPUVJQDKGFJ-GHVJWSGMSA-N 0 1 377.326 3.629 50 10 GHCAMN COc1ccccc1[C@@H]1CC(c2c(C)cc3oc(=O)c4c(c3c2O)CCC4)=NN1 ZINC000012391696 570644279 /nfs/dbraw/zinc/64/42/79/570644279.db2.gz YCRHEGJJXXKDCE-INIZCTEOSA-N 0 1 390.439 3.743 50 10 GHCAMN COc1ccc(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1O ZINC000033333141 570988979 /nfs/dbraw/zinc/98/89/79/570988979.db2.gz LRNLOVHPQMGSQV-DHDCSXOGSA-N 0 1 382.441 3.689 50 10 GHCAMN Cc1[nH]c2ccccc2c1/C=C1/C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O ZINC000016249731 210186264 /nfs/dbraw/zinc/18/62/64/210186264.db2.gz IAPKMAAREITIMS-YBEGLDIGSA-N 0 1 395.871 3.961 50 10 GHCAMN Cn1cc(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c2ccccc21 ZINC000001243491 209318190 /nfs/dbraw/zinc/31/81/90/209318190.db2.gz BZNHVPKYKRIRPH-CXUHLZMHSA-N 0 1 379.416 3.989 50 10 GHCAMN CCCc1cc2c(-c3ccccc3)cc(=O)oc2c(CN2CCOCC2)c1O ZINC000019926590 210307505 /nfs/dbraw/zinc/30/75/05/210307505.db2.gz DUOPNEJBYYEMBO-UHFFFAOYSA-N 0 1 379.456 3.950 50 10 GHCAMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000004821895 570288499 /nfs/dbraw/zinc/28/84/99/570288499.db2.gz NARZMWRGRWQJPM-XFXZXTDPSA-N 0 1 377.252 3.825 50 10 GHCAMN COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3O)=NN2)cc1O ZINC000012297005 570293994 /nfs/dbraw/zinc/29/39/94/570293994.db2.gz ZCOWMEDZXJULJW-AWEZNQCLSA-N 0 1 394.427 3.577 50 10 biogenic GHCAMN COc1ccc(/C=C/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000004682183 570392898 /nfs/dbraw/zinc/39/28/98/570392898.db2.gz HLHBSADFOMYOKL-AHEGLGOKSA-N 0 1 392.480 3.700 50 10 GHCAMN CCOCc1cc(C[NH+]2CCN(c3ccccc3)CC2)c([O-])c2ncccc12 ZINC000006804061 570606248 /nfs/dbraw/zinc/60/62/48/570606248.db2.gz WDPRNPALAYHODZ-UHFFFAOYSA-N 0 1 377.488 3.799 50 10 GHCAMN COc1ccc(-n2c(C)cc([C@H]3NC(=N)Nc4nc5ccccc5n43)c2C)cc1 ZINC000012571296 570874832 /nfs/dbraw/zinc/87/48/32/570874832.db2.gz LZQFNAZMDIQWTN-FQEVSTJZSA-N 0 1 386.459 3.549 50 10 GHCAMN COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(C)c(C)c3)CC2)cc1 ZINC000004791578 570992779 /nfs/dbraw/zinc/99/27/79/570992779.db2.gz QWMDENBXHGSHKB-UHFFFAOYSA-N 0 1 396.535 3.646 50 10 GHCAMN COc1ccc(-c2c3c[nH]nc3nc3c4ccc(O)c(O)c4oc32)cc1OC ZINC000217822151 894518074 /nfs/dbraw/zinc/51/80/74/894518074.db2.gz HZFWEWVHYVNGSL-UHFFFAOYSA-N 0 1 377.356 3.953 50 10 biogenic GHCAMN O=C1NC(=S)N(c2cccc3ccccc32)C(=O)C1=CNc1ccc(F)cc1 ZINC000017249311 210207396 /nfs/dbraw/zinc/20/73/96/210207396.db2.gz GEEXAFXUUCDJGO-ATVHPVEESA-N 0 1 391.427 3.723 50 10 GHCAMN COc1cccc(-c2ccc([O-])c(C[NH2+]CCc3ccc(OC)c(OC)c3)c2)n1 ZINC000014880528 210129697 /nfs/dbraw/zinc/12/96/97/210129697.db2.gz BACCJHBQIDKPIW-UHFFFAOYSA-N 0 1 394.471 3.812 50 10 GHCAMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2)o1 ZINC000013809754 210092610 /nfs/dbraw/zinc/09/26/10/210092610.db2.gz LRTXGQIRTUIELX-ATVHPVEESA-N 0 1 392.411 3.917 50 10 GHCAMN CCOC(=O)N1CCN(Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC000012812754 210015430 /nfs/dbraw/zinc/01/54/30/210015430.db2.gz KLBHVEKZQWRIAX-UHFFFAOYSA-N 0 1 393.281 3.582 50 10 GHCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)[nH]1 ZINC000001014252 209289399 /nfs/dbraw/zinc/28/93/99/209289399.db2.gz AARFMUWXIQJMTP-WUXMJOGZSA-N 0 1 394.283 3.770 50 10 GHCAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccc(Cl)cc4)coc32)CC1 ZINC000020392882 209234857 /nfs/dbraw/zinc/23/48/57/209234857.db2.gz HFHNTYALTIMBJB-UHFFFAOYSA-N 0 1 398.890 3.957 50 10 GHCAMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100041001 211382807 /nfs/dbraw/zinc/38/28/07/211382807.db2.gz WSNXTRNUBBXDJU-YVLHZVERSA-N 0 1 381.348 3.530 50 10 GHCAMN O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=CNc1ccc2c3c(cccc31)CC2 ZINC000006138861 570276463 /nfs/dbraw/zinc/27/64/63/570276463.db2.gz ZHWDIQAPPJCQBP-CPNJWEJPSA-N 0 1 397.434 3.513 50 10 GHCAMN Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@H](c2cccc(F)c2)C1)CCC3 ZINC000012321915 570313159 /nfs/dbraw/zinc/31/31/59/570313159.db2.gz LAJDKZJYILAEML-INIZCTEOSA-N 0 1 378.403 3.874 50 10 GHCAMN COc1ccccc1[C@H]1CC(c2c(C)cc3oc(=O)c4c(c3c2O)CCC4)=NN1 ZINC000012391697 570644405 /nfs/dbraw/zinc/64/44/05/570644405.db2.gz YCRHEGJJXXKDCE-MRXNPFEDSA-N 0 1 390.439 3.743 50 10 GHCAMN Cc1ccc(N2C(=O)C(=Cc3cn(C)c4ccccc34)C(=O)NC2=S)cc1 ZINC000006897980 570695137 /nfs/dbraw/zinc/69/51/37/570695137.db2.gz DGFRDDMBEFEVRZ-BOPFTXTBSA-N 0 1 375.453 3.729 50 10 GHCAMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Cl)s3)C(=O)NC2=S)c1C ZINC000004743535 570959423 /nfs/dbraw/zinc/95/94/23/570959423.db2.gz IHDNUVGKYNQOPB-XYOKQWHBSA-N 0 1 376.890 3.850 50 10 GHCAMN Cc1[nH]c2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccccc2C)C1=O ZINC000019535407 210258255 /nfs/dbraw/zinc/25/82/55/210258255.db2.gz VPKAIZLJBGGNDC-WJDWOHSUSA-N 0 1 375.453 3.616 50 10 GHCAMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1C1CCCC1 ZINC000001254736 209317205 /nfs/dbraw/zinc/31/72/05/209317205.db2.gz ZRYRCVXDJUYJPL-WOJGMQOQSA-N 0 1 381.432 3.679 50 10 GHCAMN Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100507682 211385986 /nfs/dbraw/zinc/38/59/86/211385986.db2.gz KLAKDXNHACAHTO-LICLKQGHSA-N 0 1 395.375 3.838 50 10 GHCAMN [O-]c1ccc(-c2ncccn2)cc1C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000019634668 210276598 /nfs/dbraw/zinc/27/65/98/210276598.db2.gz AWKGLPZCEAVQAL-UHFFFAOYSA-N 0 1 395.890 3.986 50 10 GHCAMN Cn1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000004817141 570235823 /nfs/dbraw/zinc/23/58/23/570235823.db2.gz CTMOKYHOAXVVHA-SXGWCWSVSA-N 0 1 395.871 3.663 50 10 GHCAMN CCOc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)C(=O)NC2=S)c1 ZINC000004742285 570401316 /nfs/dbraw/zinc/40/13/16/570401316.db2.gz XJHVOIDSGJJYIY-YBEGLDIGSA-N 0 1 386.860 3.570 50 10 GHCAMN CSc1cccc(-n2c(C)cc(C(=O)CSc3nc(N)cc(N)n3)c2C)c1 ZINC000012523071 570829016 /nfs/dbraw/zinc/82/90/16/570829016.db2.gz GRARVARYTHMMDQ-UHFFFAOYSA-N 0 1 399.545 3.745 50 10 GHCAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@H](c2ccco2)CC(=O)O1 ZINC000096115435 860786967 /nfs/dbraw/zinc/78/69/67/860786967.db2.gz OYYMXKIAVDZMDR-LBPRGKRZSA-N 0 1 390.347 3.905 50 10 biogenic GHCAMN CC(C)Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000002316497 209356227 /nfs/dbraw/zinc/35/62/27/209356227.db2.gz QQWUXLGDNZBYGV-VCHYOVAHSA-N 0 1 391.427 3.757 50 10 GHCAMN CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1 ZINC000001412492 209327136 /nfs/dbraw/zinc/32/71/36/209327136.db2.gz BUFAYZHWWMWQIJ-GXDHUFHOSA-N 0 1 390.511 3.693 50 10 GHCAMN Cc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)C(=O)NC2=S)cc1C ZINC000000677828 209258479 /nfs/dbraw/zinc/25/84/79/209258479.db2.gz MTMTXAJVUYBVKH-LICLKQGHSA-N 0 1 375.453 3.616 50 10 GHCAMN COCCn1c(C)cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c1C ZINC000005815389 570786587 /nfs/dbraw/zinc/78/65/87/570786587.db2.gz NWDGRKJBSYXOFG-LDADJPATSA-N 0 1 397.500 3.731 50 10 GHCAMN COC(=O)c1c(C)c(C(C)=O)sc1N=Cc1c(C)[nH]n(-c2ccccc2)c1=O ZINC000044827028 570978368 /nfs/dbraw/zinc/97/83/68/570978368.db2.gz DAYOUXPDQGCUMS-GDNBJRDFSA-N 0 1 397.456 3.764 50 10 GHCAMN Cc1[nH]c2ccccc2c1/C=C1\C(=O)NC(=O)N(CCC2=CCCCC2)C1=O ZINC000002289792 855003067 /nfs/dbraw/zinc/00/30/67/855003067.db2.gz CKGVFVBKQTXKRI-QGOAFFKASA-N 0 1 377.444 3.829 50 10 GHCAMN Cc1ccccc1Cn1cccc1C=C1C(=O)NC(=O)N(Cc2ccco2)C1=O ZINC000008770259 856354856 /nfs/dbraw/zinc/35/48/56/856354856.db2.gz LIZGTYWOOGITSX-XDHOZWIPSA-N 0 1 389.411 3.940 50 10 GHCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1c[nH]c2ccccc12 ZINC000001137293 918457116 /nfs/dbraw/zinc/45/71/16/918457116.db2.gz LDNKAVNDMOXAQE-OVCLIPMQSA-N 0 1 381.844 3.653 50 10 GHCAMN Cc1cc2oc(=O)cc(C)c2c(O)c1C1=NN[C@@H](c2ccc(N(C)C)cc2)C1 ZINC000012296425 570293929 /nfs/dbraw/zinc/29/39/29/570293929.db2.gz LIURVZZZOFUGCO-MRXNPFEDSA-N 0 1 377.444 3.620 50 10 biogenic GHCAMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(O)c3ccccc23)ccc1Cl ZINC000004134543 570358900 /nfs/dbraw/zinc/35/89/00/570358900.db2.gz JDYDEJYIVZNWQU-UHFFFAOYSA-N 0 1 378.793 3.908 50 10 GHCAMN Cc1cccc(NS(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC000004289696 570365774 /nfs/dbraw/zinc/36/57/74/570365774.db2.gz MQMMKDFNLDWYIS-UHFFFAOYSA-N 0 1 377.421 3.571 50 10 GHCAMN CC1=NN(c2nn[nH]n2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000012412896 570419158 /nfs/dbraw/zinc/41/91/58/570419158.db2.gz CPTKRDAXBDAYQM-XFFZJAGNSA-N 0 1 389.202 3.573 50 10 GHCAMN COc1ccc2ccc(O)c(CN3Cc4c(OC)ccc(OC)c4[C@@H](O)C3)c2c1 ZINC000029543446 570475867 /nfs/dbraw/zinc/47/58/67/570475867.db2.gz QMLZSWNIQROQSL-FQEVSTJZSA-N 0 1 395.455 3.620 50 10 GHCAMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000101141980 570816053 /nfs/dbraw/zinc/81/60/53/570816053.db2.gz YSDORKWRXDYONX-MHWRWJLKSA-N 0 1 395.375 3.838 50 10 GHCAMN COc1cc(/C=C2\C(=O)NN(c3ccc(Cl)cc3)C2=O)ccc1OC(C)C ZINC000083314132 570957323 /nfs/dbraw/zinc/95/73/23/570957323.db2.gz CISDISWKTQEFHP-MHWRWJLKSA-N 0 1 386.835 3.597 50 10 GHCAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc(Br)cn1 ZINC000015219954 210153736 /nfs/dbraw/zinc/15/37/36/210153736.db2.gz NYSBNLWCLNJVPJ-ZROIWOOFSA-N 0 1 375.201 3.702 50 10 GHCAMN Cc1c(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c2ccccc2n1C ZINC000000654828 209254964 /nfs/dbraw/zinc/25/49/64/209254964.db2.gz FHZCDUNBOZHNJT-LDADJPATSA-N 0 1 389.480 3.626 50 10 GHCAMN Oc1c(Br)cc(Br)cc1CNc1cccc2[nH]nnc21 ZINC000019931862 210308095 /nfs/dbraw/zinc/30/80/95/210308095.db2.gz LIBHFWLVEQHLAF-UHFFFAOYSA-N 0 1 398.058 3.801 50 10 GHCAMN Cc1cccc(N2NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1 ZINC000004951080 570419468 /nfs/dbraw/zinc/41/94/68/570419468.db2.gz OUJPLMRWHVCRGF-PDGQHHTCSA-N 0 1 389.367 3.625 50 10 GHCAMN COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(C)cc3C)CC2)cc1 ZINC000006785763 570592168 /nfs/dbraw/zinc/59/21/68/570592168.db2.gz AIDBCNJPEVBXQD-UHFFFAOYSA-N 0 1 396.535 3.646 50 10 GHCAMN COc1ccc(N2CCN(C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000051092649 570799211 /nfs/dbraw/zinc/79/92/11/570799211.db2.gz VCSNTPALGPDVIM-LJQANCHMSA-N 0 1 380.410 3.570 50 10 GHCAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(OC)c2O)N3)C1 ZINC000004556398 570883050 /nfs/dbraw/zinc/88/30/50/570883050.db2.gz HOZUUFPYKKEUMS-INIZCTEOSA-N 0 1 393.896 3.923 50 10 GHCAMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)ccc1O ZINC000017122710 210204714 /nfs/dbraw/zinc/20/47/14/210204714.db2.gz KSRMNXKLEPFIBM-UVTDQMKNSA-N 0 1 382.441 3.771 50 10 GHCAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4Cl)coc32)CC1 ZINC000019791566 210298400 /nfs/dbraw/zinc/29/84/00/210298400.db2.gz TZDKJEVRXAMMGI-UHFFFAOYSA-N 0 1 398.890 3.957 50 10 biogenic GHCAMN CCN(C)c1ccc(/C=C2/C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000005128009 570422015 /nfs/dbraw/zinc/42/20/15/570422015.db2.gz GTKBIVRMOIICCS-GDNBJRDFSA-N 0 1 390.270 3.911 50 10 GHCAMN COc1ccc(/C=C/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000004724073 570862859 /nfs/dbraw/zinc/86/28/59/570862859.db2.gz AAZFSCGLBUZKAE-AHEGLGOKSA-N 0 1 392.480 3.700 50 10 GHCAMN Cc1ccccc1-n1cccc1/C=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O ZINC000004747742 570959494 /nfs/dbraw/zinc/95/94/94/570959494.db2.gz ZQDGMUDZLHLWTN-NBVRZTHBSA-N 0 1 377.444 3.580 50 10 GHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F ZINC000001202042 209313199 /nfs/dbraw/zinc/31/31/99/209313199.db2.gz BJVANFCGIXTMPA-XMHGGMMESA-N 0 1 388.398 3.866 50 10 GHCAMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000058982308 136155713 /nfs/dbraw/zinc/15/57/13/136155713.db2.gz LMMYOOUOZBAAPX-ZROIWOOFSA-N 0 1 386.404 3.515 50 10 GHCAMN CN1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000065365514 536421696 /nfs/dbraw/zinc/42/16/96/536421696.db2.gz DFBZHVANADURRR-UHFFFAOYSA-N 0 1 378.303 3.675 50 10 GHCAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1SC(=S)N(Cc2ccco2)C1=O ZINC000012372225 570408656 /nfs/dbraw/zinc/40/86/56/570408656.db2.gz MDLWEPPMJSVEEY-YBEGLDIGSA-N 0 1 397.481 3.881 50 10 GHCAMN C[N@H+](Cc1nccs1)Cc1ccc(Cl)c(I)c1[O-] ZINC000170609064 570866781 /nfs/dbraw/zinc/86/67/81/570866781.db2.gz KVGHLMPNCZAZAV-UHFFFAOYSA-N 0 1 394.665 3.739 50 10 GHCAMN C[N@@H+](Cc1nccs1)Cc1ccc(Cl)c(I)c1[O-] ZINC000170609064 570866785 /nfs/dbraw/zinc/86/67/85/570866785.db2.gz KVGHLMPNCZAZAV-UHFFFAOYSA-N 0 1 394.665 3.739 50 10 GHCAMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1C ZINC000004747745 570959472 /nfs/dbraw/zinc/95/94/72/570959472.db2.gz SRDVITAISUKQJD-XSFVSMFZSA-N 0 1 391.471 3.889 50 10 GHCAMN CCn1cc(C=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)c2ccccc21 ZINC000002447882 859422258 /nfs/dbraw/zinc/42/22/58/859422258.db2.gz KWCAERVPGHTFJI-XMHGGMMESA-N 0 1 387.439 3.570 50 10 GHCAMN CN(C)c1ccc(C=C2C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)cc1 ZINC000016267060 866167399 /nfs/dbraw/zinc/16/73/99/866167399.db2.gz LEEHWKOCBIRMNI-LFIBNONCSA-N 0 1 383.835 3.908 50 10 GHCAMN COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000001220597 212231048 /nfs/dbraw/zinc/23/10/48/212231048.db2.gz YZFNMPNZWGDHBY-CPNJWEJPSA-N 0 1 386.407 3.510 50 10 GHCAMN Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000008744452 221053928 /nfs/dbraw/zinc/05/39/28/221053928.db2.gz KTMHOLJKSJDHOK-UHFFFAOYSA-N 0 1 378.215 3.991 50 10 GHCAMN Cc1cc2oc(=O)c(C)c(C)c2c(O)c1C1=NN[C@H](c2ccc3c(c2)OCO3)C1 ZINC000013683789 221280792 /nfs/dbraw/zinc/28/07/92/221280792.db2.gz TZYRCAXEVDGTMZ-AWEZNQCLSA-N 0 1 392.411 3.591 50 10 GHCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000002919063 136196508 /nfs/dbraw/zinc/19/65/08/136196508.db2.gz HIIQHLIJXURWQJ-NTEUORMPSA-N 0 1 377.252 3.825 50 10 GHCAMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(C(C)C)c3C)C(=O)NC2=S)cc1 ZINC000001160756 570758967 /nfs/dbraw/zinc/75/89/67/570758967.db2.gz IHBNIZRKHNMYKG-WOJGMQOQSA-N 0 1 397.500 3.526 50 10 GHCAMN CCN1C(=O)NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O ZINC000004458258 570785507 /nfs/dbraw/zinc/78/55/07/570785507.db2.gz ZLFKGPBYTAPONH-FLIBITNWSA-N 0 1 379.199 3.735 50 10 GHCAMN CC(C)n1cc2cc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)sc2c1 ZINC000097161513 861139183 /nfs/dbraw/zinc/13/91/83/861139183.db2.gz OHXWZJLBQJSSPG-UHFFFAOYSA-N 0 1 396.560 3.966 50 10 GHCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc([N+](=O)[O-])s1 ZINC000009333997 221078449 /nfs/dbraw/zinc/07/84/49/221078449.db2.gz LRIBAOKNLVTAQP-XFFZJAGNSA-N 0 1 393.833 3.552 50 10 GHCAMN Cc1ccc(SCCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000095482550 136179592 /nfs/dbraw/zinc/17/95/92/136179592.db2.gz SVJSTXOLEOBAKA-UHFFFAOYSA-N 0 1 383.561 3.545 50 10 GHCAMN CCN(CC)c1ccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)c(OC)c1 ZINC000023402575 570361416 /nfs/dbraw/zinc/36/14/16/570361416.db2.gz BTFFHRPQBYDBKY-WQRHYEAKSA-N 0 1 399.878 3.656 50 10 GHCAMN CCOC(=O)c1ccc(N2C[C@@H]3CCCCN3[C@@H]2c2cccc(OC)c2O)cc1 ZINC000004299708 570366450 /nfs/dbraw/zinc/36/64/50/570366450.db2.gz RYOFLBSHVDGRGD-AVRDEDQJSA-N 0 1 396.487 3.951 50 10 GHCAMN COc1ccc(N=Cc2c(C)[nH]n(-c3ccc(C)c(C)c3)c2=O)c([N+](=O)[O-])c1 ZINC000100929772 570781018 /nfs/dbraw/zinc/78/10/18/570781018.db2.gz UWLFBZWGUYYAER-BOPFTXTBSA-N 0 1 380.404 3.939 50 10 GHCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc([N+](=O)[O-])s1 ZINC000002283474 854748515 /nfs/dbraw/zinc/74/85/15/854748515.db2.gz BTKYYBAYTYEVGS-YRNVUSSQSA-N 0 1 393.833 3.981 50 10 GHCAMN O=c1ccc2ccc(O)c(CN3CCCN(Cc4ccccc4Cl)C3)c2o1 ZINC000019330407 860192894 /nfs/dbraw/zinc/19/28/94/860192894.db2.gz YEGNYWLTWMWQTI-UHFFFAOYSA-N 0 1 384.863 3.817 50 10 GHCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc([N+](=O)[O-])o1 ZINC000001301541 212233692 /nfs/dbraw/zinc/23/36/92/212233692.db2.gz ARYRBCNUKOYMQZ-YRNVUSSQSA-N 0 1 377.765 3.513 50 10 GHCAMN CCN1C(=O)NC(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O ZINC000000665264 212170587 /nfs/dbraw/zinc/17/05/87/212170587.db2.gz ZLFKGPBYTAPONH-DHZHZOJOSA-N 0 1 379.199 3.735 50 10 GHCAMN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1Cl ZINC000000665463 212170482 /nfs/dbraw/zinc/17/04/82/212170482.db2.gz BDJOXNKASGDNGC-UHFFFAOYSA-N 0 1 376.217 3.532 50 10 GHCAMN COc1ccc(-n2c(C)cc([C@@H]3NC(=N)Nc4nc5ccccc5n43)c2C)cc1 ZINC000012571294 221208673 /nfs/dbraw/zinc/20/86/73/221208673.db2.gz LZQFNAZMDIQWTN-HXUWFJFHSA-N 0 1 386.459 3.549 50 10 GHCAMN Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@H](c2ccc(F)cc2)C1)CCC3 ZINC000012408690 221190466 /nfs/dbraw/zinc/19/04/66/221190466.db2.gz WXQZFFUCQUDMEG-INIZCTEOSA-N 0 1 378.403 3.874 50 10 GHCAMN Cc1cc2oc(=O)c(C)c(C)c2c(O)c1C1=NN[C@H](c2ccc(N(C)C)cc2)C1 ZINC000013683563 221280873 /nfs/dbraw/zinc/28/08/73/221280873.db2.gz KJLMXSPHPDUEJQ-KRWDZBQOSA-N 0 1 391.471 3.929 50 10 GHCAMN O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1cc(Cl)ccc1Cl ZINC000055679274 132446958 /nfs/dbraw/zinc/44/69/58/132446958.db2.gz CYBYULDVPTWHEF-UHFFFAOYSA-N 0 1 387.288 3.631 50 10 GHCAMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1C1CC1 ZINC000001133455 570246564 /nfs/dbraw/zinc/24/65/64/570246564.db2.gz WJLKOSWEKXVHGR-LICLKQGHSA-N 0 1 397.862 3.755 50 10 GHCAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc(Br)cn1 ZINC000100149019 570307918 /nfs/dbraw/zinc/30/79/18/570307918.db2.gz NYSBNLWCLNJVPJ-NTEUORMPSA-N 0 1 375.201 3.702 50 10 GHCAMN COC(=O)c1ccc([C@@H](c2c(O)ccc3ccccc32)N2CCOCC2)cc1 ZINC000025561819 570416059 /nfs/dbraw/zinc/41/60/59/570416059.db2.gz YMCQRYCRSDWBJA-QFIPXVFZSA-N 0 1 377.440 3.754 50 10 GHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccc(F)cc2)c1 ZINC000001201874 212228279 /nfs/dbraw/zinc/22/82/79/212228279.db2.gz IWYAWJVBWPHUEW-KGENOOAVSA-N 0 1 388.398 3.866 50 10 GHCAMN CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(-c3cccc(OC)n3)ccc2[O-])C1 ZINC000014881127 221317316 /nfs/dbraw/zinc/31/73/16/221317316.db2.gz LGJXCKUDSLURJA-GOSISDBHSA-N 0 1 397.519 3.543 50 10 GHCAMN CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(-c3cccc(OC)n3)ccc2[O-])C1 ZINC000014881127 221317320 /nfs/dbraw/zinc/31/73/20/221317320.db2.gz LGJXCKUDSLURJA-GOSISDBHSA-N 0 1 397.519 3.543 50 10 GHCAMN COc1ccc(N2CCN(C[C@@](C)(O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000058322918 136155274 /nfs/dbraw/zinc/15/52/74/136155274.db2.gz YTPMZQWPRQMQET-HXUWFJFHSA-N 0 1 394.437 3.744 50 10 GHCAMN Cc1[nH]c2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2)C1=O ZINC000002285627 136193390 /nfs/dbraw/zinc/19/33/90/136193390.db2.gz IKNFPCPNQKNXFT-GZTJUZNOSA-N 0 1 375.453 3.616 50 10 GHCAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@@H](c2ccco2)CC(=O)O1 ZINC000096115436 222382911 /nfs/dbraw/zinc/38/29/11/222382911.db2.gz OYYMXKIAVDZMDR-GFCCVEGCSA-N 0 1 390.347 3.905 50 10 biogenic GHCAMN Cn1c(=O)c(-c2c3c[nH]nc3nc3c4ccc(O)c(O)c4oc32)cc2ccccc21 ZINC000218199410 570327573 /nfs/dbraw/zinc/32/75/73/570327573.db2.gz HHASOULQBVQRSJ-UHFFFAOYSA-N 0 1 398.378 3.787 50 10 GHCAMN O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)Nc1cccc(Cl)c1 ZINC000004181481 570361719 /nfs/dbraw/zinc/36/17/19/570361719.db2.gz BMDKJUYFZDKUEZ-UHFFFAOYSA-N 0 1 397.839 3.916 50 10 GHCAMN COc1ccc(N2CCN(C[C@@H](O)COc3ccc(C(C)C)c(C)c3)CC2)cc1 ZINC000001473490 212248005 /nfs/dbraw/zinc/24/80/05/212248005.db2.gz AFKBSDYACHVHEH-OAQYLSRUSA-N 0 1 398.547 3.689 50 10 GHCAMN CC(C)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000015012822 221325792 /nfs/dbraw/zinc/32/57/92/221325792.db2.gz AMWOPXHDAFYJLC-WQRHYEAKSA-N 0 1 398.459 3.692 50 10 GHCAMN COc1ccc(N=Cc2c(C)[nH]n(-c3ccc(C)c(C)c3)c2=O)c([N+](=O)[O-])c1 ZINC000100044307 570265410 /nfs/dbraw/zinc/26/54/10/570265410.db2.gz UWLFBZWGUYYAER-GZTJUZNOSA-N 0 1 380.404 3.939 50 10 GHCAMN COc1cc([N+](=O)[O-])cc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)c1O ZINC000006905960 570498593 /nfs/dbraw/zinc/49/85/93/570498593.db2.gz QMXAPCRRKBXBND-VGOFMYFVSA-N 0 1 389.364 3.531 50 10 GHCAMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3C(C)(C)C)C(=O)NC2=S)c1 ZINC000001133480 570756690 /nfs/dbraw/zinc/75/66/90/570756690.db2.gz JKQBOFBDHYDVKE-SFQUDFHCSA-N 0 1 381.501 3.691 50 10 GHCAMN CN(C)c1ccc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000001084631 212215025 /nfs/dbraw/zinc/21/50/25/212215025.db2.gz DKSVZDXHTUQSSD-NTEUORMPSA-N 0 1 376.243 3.521 50 10 GHCAMN COc1ccccc1[C@H]1CC(c2c(C)cc3oc(=O)c(C)c(C)c3c2O)=NN1 ZINC000012321721 221180850 /nfs/dbraw/zinc/18/08/50/221180850.db2.gz TXYLTMWFXLNDPD-OAHLLOKOSA-N 0 1 378.428 3.871 50 10 GHCAMN CC1=NN(c2nn[nH]n2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000012412861 221190190 /nfs/dbraw/zinc/19/01/90/221190190.db2.gz FSMXTXYEMXAQIB-XFFZJAGNSA-N 0 1 389.202 3.573 50 10 GHCAMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(O)cc1 ZINC000000759403 527055414 /nfs/dbraw/zinc/05/54/14/527055414.db2.gz KQIQZWQPPDINEY-KPKJPENVSA-N 0 1 393.251 3.530 50 10 GHCAMN COc1ccc(-c2nnc(N=Cc3c(C)[nH]n(-c4ccccc4)c3=O)s2)cc1 ZINC000100503629 570272746 /nfs/dbraw/zinc/27/27/46/570272746.db2.gz HFASGLQNLZAFLF-ATVHPVEESA-N 0 1 391.456 3.932 50 10 GHCAMN Cc1ccccc1NS(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000004289694 570365752 /nfs/dbraw/zinc/36/57/52/570365752.db2.gz QAPXKTJOMDCGOK-UHFFFAOYSA-N 0 1 377.421 3.571 50 10 GHCAMN COc1ccc(N2CCN(C[C@H](O)COc3ccc(C(C)C)c(C)c3)CC2)cc1 ZINC000020347298 860549567 /nfs/dbraw/zinc/54/95/67/860549567.db2.gz AFKBSDYACHVHEH-NRFANRHFSA-N 0 1 398.547 3.689 50 10 GHCAMN Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@@H](c2cccc(F)c2)C1)CCC3 ZINC000012321914 221180919 /nfs/dbraw/zinc/18/09/19/221180919.db2.gz LAJDKZJYILAEML-MRXNPFEDSA-N 0 1 378.403 3.874 50 10 GHCAMN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000016441123 221363732 /nfs/dbraw/zinc/36/37/32/221363732.db2.gz UEIOGLYZGLKTDM-ZROIWOOFSA-N 0 1 388.426 3.715 50 10 GHCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cl)s1 ZINC000004754832 136194004 /nfs/dbraw/zinc/19/40/04/136194004.db2.gz VGISSPXECNEJOX-XFFZJAGNSA-N 0 1 383.281 3.886 50 10 GHCAMN [O-]c1c([C@H](c2ccccn2)[NH+]2CCN(c3ccccn3)CC2)ccc2cccnc21 ZINC000004247747 136196699 /nfs/dbraw/zinc/19/66/99/136196699.db2.gz OZSANKKZTCLFJI-HSZRJFAPSA-N 0 1 397.482 3.642 50 10 GHCAMN Oc1c([C@H](c2ccccn2)N2CCN(c3ccccn3)CC2)ccc2cccnc21 ZINC000004247747 136196700 /nfs/dbraw/zinc/19/67/00/136196700.db2.gz OZSANKKZTCLFJI-HSZRJFAPSA-N 0 1 397.482 3.642 50 10 GHCAMN CCn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000002278963 856362115 /nfs/dbraw/zinc/36/21/15/856362115.db2.gz IGNSBUAPDSWGHL-RVDMUPIBSA-N 0 1 393.443 3.632 50 10 GHCAMN COc1ccc(N2CCN(C[C@@H](O)COc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000096134158 536698817 /nfs/dbraw/zinc/69/88/17/536698817.db2.gz VPLABWWWZXHFLG-OAQYLSRUSA-N 0 1 398.547 3.555 50 10 aggregator GHCAMN CCN(CC)c1ccc(/C=C2\C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)c(O)c1 ZINC000033410527 570312800 /nfs/dbraw/zinc/31/28/00/570312800.db2.gz FZGBEUAERNFIJU-LICLKQGHSA-N 0 1 399.878 3.662 50 10 GHCAMN COC(=O)c1ccccc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000006618183 570505727 /nfs/dbraw/zinc/50/57/27/570505727.db2.gz KBGPMARXCYWDPO-UHFFFAOYSA-N 0 1 375.837 3.734 50 10 GHCAMN O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(N2CCCC2)cc1 ZINC000006898557 570695034 /nfs/dbraw/zinc/69/50/34/570695034.db2.gz XRQBDHMIIZYPAN-UYRXBGFRSA-N 0 1 393.418 3.928 50 10 GHCAMN C[C@H](c1ccccc1)N1C(=O)NC(=O)C(=Cc2coc3ccccc3c2=O)C1=O ZINC000020332170 860547812 /nfs/dbraw/zinc/54/78/12/860547812.db2.gz HFCIWXHMGUJBFK-GPLLRDDGSA-N 0 1 388.379 3.856 50 10 GHCAMN Oc1ccc2c3nc4n[nH]cc4c(-c4ccc5c(c4)OCCO5)c3oc2c1O ZINC000217728714 894301945 /nfs/dbraw/zinc/30/19/45/894301945.db2.gz ACEOJLYHHFGPIY-UHFFFAOYSA-N 0 1 375.340 3.707 50 10 biogenic GHCAMN COc1cccc(CN2CC3(CCOCC3)[C@@H]2c2cnn(C(C)(C)C)c2)c1O ZINC000585093513 897346013 /nfs/dbraw/zinc/34/60/13/897346013.db2.gz VIAZWJBUPPBDGE-FQEVSTJZSA-N 0 1 385.508 3.706 50 10 GHCAMN COc1ccccc1[C@@H]1CC(c2c(C)cc3oc(=O)c(C)c(C)c3c2O)=NN1 ZINC000012321720 221180728 /nfs/dbraw/zinc/18/07/28/221180728.db2.gz TXYLTMWFXLNDPD-HNNXBMFYSA-N 0 1 378.428 3.871 50 10 GHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccccc2F)c1 ZINC000005900760 570802667 /nfs/dbraw/zinc/80/26/67/570802667.db2.gz GQOOZMOWOQJGAZ-XSFVSMFZSA-N 0 1 388.398 3.866 50 10 GHCAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(C)c(-c4ccccc4)c(=O)oc32)CC1 ZINC000020605104 212150883 /nfs/dbraw/zinc/15/08/83/212150883.db2.gz AFVLEMHAUDMXRL-UHFFFAOYSA-N 0 1 378.472 3.612 50 10 GHCAMN CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1 ZINC000005392691 220865380 /nfs/dbraw/zinc/86/53/80/220865380.db2.gz QUEAWDDPHBFBLN-UHFFFAOYSA-N 0 1 387.486 3.878 50 10 GHCAMN COc1ccc(N=Cc2c(C)[nH]n(-c3ccc(C)cc3C)c2=O)c([N+](=O)[O-])c1 ZINC000103883768 570890016 /nfs/dbraw/zinc/89/00/16/570890016.db2.gz XYDHWHCYQKRAMV-WJDWOHSUSA-N 0 1 380.404 3.939 50 10 GHCAMN O=C1NC(=O)C(=Cc2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)C(=O)N1 ZINC000001170619 870830661 /nfs/dbraw/zinc/83/06/61/870830661.db2.gz ROYZFYMZQAXLQO-UHFFFAOYSA-N 0 1 396.142 3.751 50 10 GHCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c(C)[nH]1 ZINC000015837120 1021292164 /nfs/dbraw/zinc/29/21/64/1021292164.db2.gz IOAIOWJCDWSYTP-CPSFFCFKSA-N 0 1 394.283 3.770 50 10 GHCAMN CCN1CCc2cc(C=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)ccc21 ZINC000001846843 212258866 /nfs/dbraw/zinc/25/88/66/212258866.db2.gz QTUUCIRHIZAKGL-AQTBWJFISA-N 0 1 375.428 3.571 50 10 GHCAMN COc1ccccc1N1C(=O)C(=Cc2cn(C)c3ccccc23)C(=O)NC1=S ZINC000001302432 212233866 /nfs/dbraw/zinc/23/38/66/212233866.db2.gz XBXSMLAXYWZVGC-PTNGSMBKSA-N 0 1 391.452 3.859 50 10 GHCAMN Cc1ccc(O)c(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000000793994 212181252 /nfs/dbraw/zinc/18/12/52/212181252.db2.gz UIXBPJVFKXJIDJ-UHFFFAOYSA-N 0 1 375.475 3.570 50 10 GHCAMN CC1=NN(c2nn[nH]n2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000012412880 221190149 /nfs/dbraw/zinc/19/01/49/221190149.db2.gz NJBKCFLXUVWCAM-GHXNOFRVSA-N 0 1 389.202 3.573 50 10 GHCAMN COc1cc([N+](=O)[O-])ccc1N=Cc1c(C)[nH]n(-c2cccc(Cl)c2)c1=O ZINC000100535672 570272854 /nfs/dbraw/zinc/27/28/54/570272854.db2.gz YIOJYQDWEVBMMC-XNTDXEJSSA-N 0 1 386.795 3.975 50 10 GHCAMN CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)c(O)c1 ZINC000005067705 570410650 /nfs/dbraw/zinc/41/06/50/570410650.db2.gz FZGBEUAERNFIJU-YVLHZVERSA-N 0 1 399.878 3.662 50 10 GHCAMN Cc1ccccc1N1C(=O)C(=Cc2cn(C)c3ccccc23)C(=O)NC1=S ZINC000006898410 570695055 /nfs/dbraw/zinc/69/50/55/570695055.db2.gz ZCEOQMJLITZBEP-WJDWOHSUSA-N 0 1 375.453 3.729 50 10 GHCAMN CCc1nnc(N=Cc2c(C)[nH]n(-c3ccc(Br)cc3)c2=O)s1 ZINC000101039565 570787275 /nfs/dbraw/zinc/78/72/75/570787275.db2.gz XTSWRTKGGTWXGS-XYOKQWHBSA-N 0 1 392.282 3.582 50 10 GHCAMN CC[C@@H](C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000032765335 570802864 /nfs/dbraw/zinc/80/28/64/570802864.db2.gz QHZWPBHQFHPATF-HSZRJFAPSA-N 0 1 395.547 3.517 50 10 GHCAMN Cc1c(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C(C)C)cnn1C ZINC000095480897 860602881 /nfs/dbraw/zinc/60/28/81/860602881.db2.gz NXDBVGRQMDOYTB-UHFFFAOYSA-N 0 1 393.403 3.737 50 10 GHCAMN COc1ccc(CN2C(=O)NC(=O)C(=Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000008972002 221067281 /nfs/dbraw/zinc/06/72/81/221067281.db2.gz JPCWPWYDAMTLCD-LICLKQGHSA-N 0 1 375.384 3.679 50 10 GHCAMN CCCn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000013511719 221269950 /nfs/dbraw/zinc/26/99/50/221269950.db2.gz YRQRKGYFTDOUBV-QGOAFFKASA-N 0 1 389.480 3.883 50 10 GHCAMN COc1ccc(N2CCN(C[C@H](O)COc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000020109756 221472724 /nfs/dbraw/zinc/47/27/24/221472724.db2.gz VPLABWWWZXHFLG-NRFANRHFSA-N 0 1 398.547 3.555 50 10 aggregator GHCAMN COC(=O)C[C@@H](c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2)C(C)C ZINC000096221823 222397976 /nfs/dbraw/zinc/39/79/76/222397976.db2.gz FXNUPXSZXYWPKE-CYBMUJFWSA-N 0 1 398.411 3.880 50 10 biogenic GHCAMN COc1ccc(/C=C/C=C2/C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000006076099 536596565 /nfs/dbraw/zinc/59/65/65/536596565.db2.gz XMGJHEMANGCLIB-SDQPKSGYSA-N 0 1 392.480 3.700 50 10 GHCAMN COc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000015659317 570906627 /nfs/dbraw/zinc/90/66/27/570906627.db2.gz OHSGJXJUWYJXHH-AQTBWJFISA-N 0 1 388.448 3.680 50 10 GHCAMN CCCN(CCC)c1ccc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)cc1 ZINC000004063524 862748362 /nfs/dbraw/zinc/74/83/62/862748362.db2.gz DVTAPCUAGQWSKN-HKWRFOASSA-N 0 1 381.451 3.914 50 10 GHCAMN CCN(CC)c1ccc([C@@H]2NC(=O)N=C(C)C2C(=O)OCc2ccccc2)cc1 ZINC000000847236 212188771 /nfs/dbraw/zinc/18/87/71/212188771.db2.gz SLJQAIUPQUBJDR-NRFANRHFSA-N 0 1 393.487 3.904 50 10 GHCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(N2CCCCC2)o1 ZINC000009164994 221072660 /nfs/dbraw/zinc/07/26/60/221072660.db2.gz VKXNJUNDMSBRMN-OWBHPGMISA-N 0 1 399.447 3.652 50 10 GHCAMN Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@@H](c2ccc(F)cc2)C1)CCC3 ZINC000012408689 221189927 /nfs/dbraw/zinc/18/99/27/221189927.db2.gz WXQZFFUCQUDMEG-MRXNPFEDSA-N 0 1 378.403 3.874 50 10 GHCAMN CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1 ZINC000015013460 221326777 /nfs/dbraw/zinc/32/67/77/221326777.db2.gz WGKGBVCPRDPGJV-ATVHPVEESA-N 0 1 380.469 3.533 50 10 GHCAMN COc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc3ccccc32)C1=O ZINC000000758184 524321730 /nfs/dbraw/zinc/32/17/30/524321730.db2.gz RNHQMBAKSQVUCH-GHRIWEEISA-N 0 1 388.448 3.680 50 10 GHCAMN CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1C ZINC000001134471 570246774 /nfs/dbraw/zinc/24/67/74/570246774.db2.gz BJWNOQDDEBRZPF-GZTJUZNOSA-N 0 1 381.501 3.573 50 10 GHCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=CC=Cc1ccccc1[N+](=O)[O-] ZINC000002813030 570304486 /nfs/dbraw/zinc/30/44/86/570304486.db2.gz FEEYXBKGLKOBTP-PVZSTHCMSA-N 0 1 397.387 3.962 50 10 GHCAMN O=c1[nH]c2ccccc2cc1-c1c2c[nH]nc2nc2c3ccc(O)c(O)c3oc21 ZINC000218331947 570331496 /nfs/dbraw/zinc/33/14/96/570331496.db2.gz KYLAWJZBWMIXHZ-UHFFFAOYSA-N 0 1 384.351 3.777 50 10 GHCAMN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)o1 ZINC000005025769 570399585 /nfs/dbraw/zinc/39/95/85/570399585.db2.gz PUQQWXTWUNERRA-LDADJPATSA-N 0 1 389.367 3.625 50 10 GHCAMN CCc1ccc(NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000006785730 570592105 /nfs/dbraw/zinc/59/21/05/570592105.db2.gz CIEQORNFVSLBHM-UHFFFAOYSA-N 0 1 396.535 3.591 50 10 GHCAMN CCn1cc(/C=C2\C(=O)NC(=O)N(C3CCCCCC3)C2=O)c2ccccc21 ZINC000001131903 918454044 /nfs/dbraw/zinc/45/40/44/918454044.db2.gz DTAVZMZAWVXDBW-QGOAFFKASA-N 0 1 379.460 3.846 50 10 GHCAMN Cc1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000015008751 221325907 /nfs/dbraw/zinc/32/59/07/221325907.db2.gz NXJQNKIWOBBRPO-ATVHPVEESA-N 0 1 389.367 3.625 50 10 GHCAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=N/N3CCCCCC3)cc2)n1 ZINC000100081502 570263453 /nfs/dbraw/zinc/26/34/53/570263453.db2.gz PMZBWIOIEYADBD-XTQSDGFTSA-N 0 1 388.497 3.769 50 10 GHCAMN CSc1ccc2c(c1)[C@H](N1CCN(CCO)CC1)Cc1ccccc1S2 ZINC000022859274 570331268 /nfs/dbraw/zinc/33/12/68/570331268.db2.gz STMRSBFWRHDXLV-LJQANCHMSA-N 0 1 386.586 3.767 50 10 GHCAMN [O-]c1ccc(-c2ncccn2)cc1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000023158241 848972614 /nfs/dbraw/zinc/97/26/14/848972614.db2.gz JUPMTTDUZJRXSY-XBXARRHUSA-N 0 1 386.499 3.680 50 10 GHCAMN Cc1ccc(NS(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1C ZINC000001773964 212256010 /nfs/dbraw/zinc/25/60/10/212256010.db2.gz ZDROWCLOGMUCLM-UHFFFAOYSA-N 0 1 391.448 3.880 50 10 GHCAMN COc1ccc(CC(=O)c2ccc([O-])c(C[N@H+]3CCCC[C@H]3C)c2O)cc1OC ZINC000023135321 212154398 /nfs/dbraw/zinc/15/43/98/212154398.db2.gz DLJDTWLGKBTGRS-OAHLLOKOSA-N 0 1 399.487 3.915 50 10 biogenic GHCAMN COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3O)=NN2)cc1 ZINC000012296967 221175926 /nfs/dbraw/zinc/17/59/26/221175926.db2.gz PVHLEDPJIDIXJJ-MRXNPFEDSA-N 0 1 378.428 3.871 50 10 biogenic GHCAMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C(=O)NC2=S)c1 ZINC000001204935 136196124 /nfs/dbraw/zinc/19/61/24/136196124.db2.gz XJHVOIDSGJJYIY-MHWRWJLKSA-N 0 1 386.860 3.570 50 10 GHCAMN Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O ZINC000000686747 570217986 /nfs/dbraw/zinc/21/79/86/570217986.db2.gz YPFRXISDLHVRBL-XYOKQWHBSA-N 0 1 376.890 3.850 50 10 GHCAMN COc1ccc(S(=O)(=O)Nc2nc(-c3cccc(OC)c3)cs2)cc1 ZINC000028248525 570453309 /nfs/dbraw/zinc/45/33/09/570453309.db2.gz ZPNKRBDFYFWEIM-UHFFFAOYSA-N 0 1 376.459 3.628 50 10 GHCAMN Cc1oc2ccc([O-])c(C[N@H+](C)C3CCN(C)CC3)c2c1C(=O)NC1CCCC1 ZINC000005182461 570496335 /nfs/dbraw/zinc/49/63/35/570496335.db2.gz JCFMPIWQMBECBT-UHFFFAOYSA-N 0 1 399.535 3.645 50 10 GHCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1nc2ccccc2[nH]1 ZINC000006813988 570618060 /nfs/dbraw/zinc/61/80/60/570618060.db2.gz LSQIYZSLFRTAJM-XFXZXTDPSA-N 0 1 382.832 3.888 50 10 GHCAMN CCn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c2ccccc21 ZINC000004711352 570857572 /nfs/dbraw/zinc/85/75/72/570857572.db2.gz UGZTYOLWEYGNBE-LICLKQGHSA-N 0 1 393.443 3.632 50 10 GHCAMN COc1ccc(Br)cc1CN(C)Cc1cc2c(cc1O)OCO2 ZINC000003546938 862482713 /nfs/dbraw/zinc/48/27/13/862482713.db2.gz WQFIGEFQJWIWHD-UHFFFAOYSA-N 0 1 380.238 3.524 50 10 GHCAMN COc1ccc(N2C(=O)C(=Cc3cn(C)c4ccccc34)C(=O)NC2=S)cc1 ZINC000001301555 212233996 /nfs/dbraw/zinc/23/39/96/212233996.db2.gz DFQFHCADUQTFJB-GZTJUZNOSA-N 0 1 391.452 3.859 50 10 GHCAMN Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)NC2=S)c1 ZINC000000693934 212175048 /nfs/dbraw/zinc/17/50/48/212175048.db2.gz IJVSJWRGHYXNIJ-XMHGGMMESA-N 0 1 387.464 3.617 50 10 GHCAMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(F)cc1 ZINC000002916773 136196494 /nfs/dbraw/zinc/19/64/94/136196494.db2.gz YEWWFZYFBGAPBJ-KPKJPENVSA-N 0 1 395.242 3.964 50 10 GHCAMN CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1 ZINC000016309469 136201937 /nfs/dbraw/zinc/20/19/37/136201937.db2.gz VOWGCRNLFVBHDJ-JXAWBTAJSA-N 0 1 393.512 3.673 50 10 GHCAMN C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(Cl)c2[O-])N3)C1 ZINC000020101332 570239163 /nfs/dbraw/zinc/23/91/63/570239163.db2.gz GMPHDVGWIINCED-AWEZNQCLSA-N 0 1 384.288 3.603 50 10 GHCAMN C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(Cl)c2[O-])N3)C1 ZINC000020101332 570239165 /nfs/dbraw/zinc/23/91/65/570239165.db2.gz GMPHDVGWIINCED-AWEZNQCLSA-N 0 1 384.288 3.603 50 10 GHCAMN