smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(CNC(=O)Nc2cc(Cl)ccc2C)c(C)n1-c1ccc(C)cc1 ZINC000009228545 209818360 /nfs/dbraw/zinc/81/83/60/209818360.db2.gz ZJNBIRJAHQLTTD-UHFFFAOYSA-N 0 0 381.907 5.686 50 10 GKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)cc1C ZINC000004739171 209520672 /nfs/dbraw/zinc/52/06/72/209520672.db2.gz WSJXOMKAJWBFQJ-RCCKNPSSSA-N 0 0 385.894 6.428 50 10 GKCARN COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 ZINC000004675437 209509004 /nfs/dbraw/zinc/50/90/04/209509004.db2.gz LUIMDTSAEHIQGE-GJYPPUQNSA-N 0 0 384.273 5.062 50 10 GKCARN O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@@H]32)ccc1Cl ZINC000004689410 209512262 /nfs/dbraw/zinc/51/22/62/209512262.db2.gz FLOCAIFEUXAXLG-PRXAMGSTSA-N 0 0 395.673 6.382 50 10 GKCARN CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000004371933 209483682 /nfs/dbraw/zinc/48/36/82/209483682.db2.gz CZGLGEGNYDKASX-IPJJNNNSSA-N 0 0 380.919 5.649 50 10 GKCARN Cc1cc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc(C)c1Cl ZINC000003642552 209451347 /nfs/dbraw/zinc/45/13/47/209451347.db2.gz VTRTZYPIZYCYHS-UHFFFAOYSA-N 0 0 379.847 5.377 50 10 GKCARN COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccc(Cl)cc2)cc1 ZINC000003296192 209422051 /nfs/dbraw/zinc/42/20/51/209422051.db2.gz IQNNFVYOFUEOFL-CPNJWEJPSA-N 0 0 394.883 5.245 50 10 GKCARN O=C(N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O)c1ccccc1 ZINC000002484233 209366731 /nfs/dbraw/zinc/36/67/31/209366731.db2.gz PPZGYQXFVDWWQZ-FQEVSTJZSA-N 0 0 388.854 5.113 50 10 GKCARN CSc1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1 ZINC000002470437 209366202 /nfs/dbraw/zinc/36/62/02/209366202.db2.gz DUXHQNXWPVCNNT-OAQYLSRUSA-N 0 0 387.508 5.567 50 10 GKCARN Oc1c([C@@H](Nc2ccccn2)c2ccc(Cl)cc2Cl)ccc2cccnc21 ZINC000002708532 209378010 /nfs/dbraw/zinc/37/80/10/209378010.db2.gz ZQNSVWDKNCLXET-FQEVSTJZSA-N 0 0 396.277 5.844 50 10 GKCARN Cc1ccccc1N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000002305262 209355894 /nfs/dbraw/zinc/35/58/94/209355894.db2.gz QVYHJRJVWVAZNN-DHDCSXOGSA-N 0 0 380.321 5.708 50 10 GKCARN O=C1C(=C(c2ccccc2)c2ccccc2)C=C(c2ccccc2)N1c1ccccc1 ZINC000002077851 209345986 /nfs/dbraw/zinc/34/59/86/209345986.db2.gz WKAHKQBWGOLLKG-UHFFFAOYSA-N 0 0 399.493 6.576 50 10 GKCARN O=C(N[C@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc21)c1ccccc1 ZINC000002063573 209344955 /nfs/dbraw/zinc/34/49/55/209344955.db2.gz UXSDXPQORHVTIJ-HSZRJFAPSA-N 0 0 387.866 5.718 50 10 aggregator GKCARN c1c(C2Nc3cccc4cccc(c43)N2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000001797798 209340546 /nfs/dbraw/zinc/34/05/46/209340546.db2.gz HJNACZXQRCDPCK-UHFFFAOYSA-N 0 0 388.474 6.229 50 10 GKCARN CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 ZINC000001806749 209339698 /nfs/dbraw/zinc/33/96/98/209339698.db2.gz LQDCBGOSIZRUIV-AQTBWJFISA-N 0 0 386.517 5.078 50 10 GKCARN Cc1ccccc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000001776274 209339165 /nfs/dbraw/zinc/33/91/65/209339165.db2.gz DHPPKAMVNIGFID-NVNXTCNLSA-N 0 0 380.321 5.708 50 10 GKCARN O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=S)N1c1ccc(F)cc1 ZINC000001761540 209338896 /nfs/dbraw/zinc/33/88/96/209338896.db2.gz YYFPMZUOEFDTEZ-RIYZIHGNSA-N 0 0 384.284 5.538 50 10 GKCARN CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c(OCC)c1 ZINC000001159809 209309217 /nfs/dbraw/zinc/30/92/17/209309217.db2.gz QVJWYOFVYVXORD-UNOMPAQXSA-N 0 0 399.537 5.198 50 10 GKCARN C/C(=C1/SC(=S)N(c2ccc3ccccc3c2)C1=O)c1cccc(O)c1 ZINC000001164228 209309130 /nfs/dbraw/zinc/30/91/30/209309130.db2.gz CWRPYMOSMZIGAF-UYRXBGFRSA-N 0 0 377.490 5.341 50 10 GKCARN CN(C)C(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 ZINC000001102665 209299230 /nfs/dbraw/zinc/29/92/30/209299230.db2.gz WGSSPYJLXXMWPV-TYILLQQXSA-N 0 0 387.310 5.522 50 10 GKCARN CCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000001087676 209300209 /nfs/dbraw/zinc/30/02/09/209300209.db2.gz SSRHSTCWIWZUDH-ZSOIEALJSA-N 0 0 384.309 5.475 50 10 GKCARN O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(OC(F)(F)F)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000001066475 209295232 /nfs/dbraw/zinc/29/52/32/209295232.db2.gz FQCUSEMHJCASRV-VKJFTORMSA-N 0 0 376.334 5.320 50 10 GKCARN COc1ccc(Cl)cc1[C@H](Nc1cccnc1)c1ccc2cccnc2c1O ZINC000001065640 209294947 /nfs/dbraw/zinc/29/49/47/209294947.db2.gz VNEQQSPGASKCDG-OAQYLSRUSA-N 0 0 391.858 5.199 50 10 GKCARN CC(C)n1c(Sc2ncc([N+](=O)[O-])s2)nc2cc(C(F)(F)F)ccc21 ZINC000001047600 209292586 /nfs/dbraw/zinc/29/25/86/209292586.db2.gz YPBMPUWWOKNFAV-UHFFFAOYSA-N 0 0 388.396 5.152 50 10 GKCARN COc1ccccc1NC(=O)c1c(NCc2cccs2)sc2c1CCC2 ZINC000000920841 209278530 /nfs/dbraw/zinc/27/85/30/209278530.db2.gz LZFGXTANTYDAHL-UHFFFAOYSA-N 0 0 384.526 5.171 50 10 GKCARN CCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1O ZINC000000801096 209266798 /nfs/dbraw/zinc/26/67/98/209266798.db2.gz VTPUBOAPEQSTFS-SFHVURJKSA-N 0 0 389.282 5.253 50 10 GKCARN CCOC(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N ZINC000000715340 209262001 /nfs/dbraw/zinc/26/20/01/209262001.db2.gz PMBVYACHMOOETD-UHFFFAOYSA-N 0 0 380.494 5.451 50 10 GKCARN Cc1oc2c(ccc([O-])c2C[N@H+](C)Cc2ccccc2)c(=O)c1-c1ccccc1 ZINC000020392372 209235640 /nfs/dbraw/zinc/23/56/40/209235640.db2.gz KVSJWXYRGLRHMN-UHFFFAOYSA-N 0 0 385.463 5.106 50 10 biogenic GKCARN Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(C(C)(C)C)cc3)c(O)c2n1 ZINC000002073868 212263469 /nfs/dbraw/zinc/26/34/69/212263469.db2.gz IPDZJNIZUSHWQI-QHCPKHFHSA-N 0 0 397.522 6.143 50 10 GKCARN O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1Nc1ccccc1 ZINC000001902567 212259379 /nfs/dbraw/zinc/25/93/79/212259379.db2.gz RZURXWTWXDLPAH-ZSOIEALJSA-N 0 0 381.309 5.222 50 10 GKCARN COC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3OC)c2c1N ZINC000001511535 212248543 /nfs/dbraw/zinc/24/85/43/212248543.db2.gz MFLRQXOZNSXNTI-UHFFFAOYSA-N 0 0 390.464 5.008 50 10 GKCARN FC(F)(F)c1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@@H]21 ZINC000059267052 209214111 /nfs/dbraw/zinc/21/41/11/209214111.db2.gz LGCZLAYBUUQHRC-VGTOOOLASA-N 0 0 384.228 6.839 50 10 GKCARN Cc1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c(C)n1-c1ccc(Cl)cc1 ZINC000001423282 212242995 /nfs/dbraw/zinc/24/29/95/212242995.db2.gz PLXVQQYTACXKNC-VXLYETTFSA-N 0 0 383.278 5.894 50 10 GKCARN CCOC(=O)C1=CS/C(=C2\c3ccc(C)cc3NC(C)(C)C2=S)S1 ZINC000001170562 212225179 /nfs/dbraw/zinc/22/51/79/212225179.db2.gz QKECSFYDQCZWMX-VKAVYKQESA-N 0 0 377.556 5.122 50 10 GKCARN O=C(CSc1nc2cc(Cl)c(Cl)cc2[nH]1)Nc1ccccc1Cl ZINC000001034192 212207690 /nfs/dbraw/zinc/20/76/90/212207690.db2.gz PAEAEMQTSZUMPP-UHFFFAOYSA-N 0 0 386.691 5.254 50 10 GKCARN Cc1ccc2ccc([C@H](Nc3cccc(Cl)c3)c3ccccn3)c(O)c2n1 ZINC000001016381 212205650 /nfs/dbraw/zinc/20/56/50/212205650.db2.gz LRORHYYIGOEORJ-NRFANRHFSA-N 0 0 375.859 5.499 50 10 GKCARN CCC(=O)N[C@H](c1ccc(C(C)C)cc1)c1cc(Cl)c2cccnc2c1O ZINC000000869289 212191369 /nfs/dbraw/zinc/19/13/69/212191369.db2.gz PJHRKAKKWFGBEA-HXUWFJFHSA-N 0 0 382.891 5.333 50 10 GKCARN FC(F)(F)c1ccccc1[C@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@H]21 ZINC000000639525 212168515 /nfs/dbraw/zinc/16/85/15/212168515.db2.gz ZXYAQJUUELYZIL-JKDFXYPNSA-N 0 0 394.234 6.294 50 10 GKCARN CC(C)c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c3ccccc23)cc1 ZINC000000645596 212168235 /nfs/dbraw/zinc/16/82/35/212168235.db2.gz GDFFFCVYSNYEJE-UHFFFAOYSA-N 0 0 375.877 5.123 50 10 GKCARN C[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)coc21 ZINC000019791529 212149761 /nfs/dbraw/zinc/14/97/61/212149761.db2.gz NCXXDDQPOLAHET-CQSZACIVSA-N 0 0 383.875 5.193 50 10 biogenic GKCARN O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H]([C@@H]1CC=CCC1)[C@H]1CC=C[C@H]21 ZINC000245238626 212134242 /nfs/dbraw/zinc/13/42/42/212134242.db2.gz WYWUKAZFKPOTPP-KNLNXMFASA-N 0 0 389.926 6.381 50 10 GKCARN COc1ccc2c(c1)S[C@H](c1ccccc1OC)CCN2Cc1cccs1 ZINC000299765949 212033497 /nfs/dbraw/zinc/03/34/97/212033497.db2.gz YECPDFYIDJKRGF-NRFANRHFSA-N 0 0 397.565 6.009 50 10 GKCARN O=C1/C(=C/c2ccccc2)SC(=S)N1CNc1cccc2ccccc21 ZINC000334161437 203785224 /nfs/dbraw/zinc/78/52/24/203785224.db2.gz ZKODEXHJVLCZGR-UYRXBGFRSA-N 0 0 376.506 5.111 50 10 GKCARN Cn1c(=O)cc2c3c1ccc(Nc1cccc(Cl)c1)c3C(=O)c1ccccc1-2 ZINC000002189930 203929675 /nfs/dbraw/zinc/92/96/75/203929675.db2.gz IXEMIDNPWNMESH-UHFFFAOYSA-N 0 0 386.838 5.147 50 10 GKCARN COc1ccc(NC(=O)c2c(NCc3cccc(F)c3)sc3c2CCC3)cc1 ZINC000003065957 203985484 /nfs/dbraw/zinc/98/54/84/203985484.db2.gz DKCDCMBFJQZHKF-UHFFFAOYSA-N 0 0 396.487 5.249 50 10 GKCARN Cc1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 ZINC000004321229 204037510 /nfs/dbraw/zinc/03/75/10/204037510.db2.gz VOUNWWOTGCOYHY-UHAJZMFGSA-N 0 0 384.479 5.798 50 10 GKCARN O=[N+]([O-])c1ccc([C@H]2[C@@H]3CC=C[C@@H]3c3cc(F)cc4c3N2C[C@H]2CC=C[C@H]42)cc1 ZINC000004321284 204037804 /nfs/dbraw/zinc/03/78/04/204037804.db2.gz NCRCCPRHMJZJEF-UKFDBNNRSA-N 0 0 388.442 5.628 50 10 GKCARN Cc1ccc(-c2ccccc2)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004048211 204025257 /nfs/dbraw/zinc/02/52/57/204025257.db2.gz SCQQAQRMTQNJOI-UHFFFAOYSA-N 0 0 386.476 6.512 50 10 GKCARN CC(C)OP(=O)(OC(C)C)[C@@H](Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000004063947 204025551 /nfs/dbraw/zinc/02/55/51/204025551.db2.gz FWKQFUAYVYDKQU-OAQYLSRUSA-N 0 0 390.464 5.906 50 10 GKCARN Cc1ccc(C2=N[C@@H](c3cccc(Cl)c3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000004730074 204069028 /nfs/dbraw/zinc/06/90/28/204069028.db2.gz NNYZZKFBMMEYRT-FYYLOGMGSA-N 0 0 376.887 5.577 50 10 GKCARN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)c1 ZINC000004738982 204070546 /nfs/dbraw/zinc/07/05/46/204070546.db2.gz LRXIKWTXXCUZDO-RCCKNPSSSA-N 0 0 385.894 6.428 50 10 GKCARN CSc1ccc(NC(=O)Nc2ccccc2/N=N/c2ccc(C)cc2)cc1 ZINC000004794868 204077127 /nfs/dbraw/zinc/07/71/27/204077127.db2.gz CQXQPGPCEQFKJX-OCOZRVBESA-N 0 0 376.485 6.776 50 10 GKCARN CC(C)(C)c1ccc(Oc2cc(O)c3c4c2noc4-c2ccccc2C3=O)cc1 ZINC000004808850 204077384 /nfs/dbraw/zinc/07/73/84/204077384.db2.gz QZMAVHXTWNPZAD-UHFFFAOYSA-N 0 0 385.419 5.835 50 10 GKCARN COc1ccc(C)cc1-n1c(-c2ccc(Cl)cc2)cc2c1CC(C)(C)CC2=O ZINC000004885068 204087719 /nfs/dbraw/zinc/08/77/19/204087719.db2.gz DGHQSGCGOLCWJU-UHFFFAOYSA-N 0 0 393.914 6.270 50 10 GKCARN COc1ccccc1-n1c(C)c(C(=O)NCc2ccccc2)cc1-c1ccccc1 ZINC000004573217 204054602 /nfs/dbraw/zinc/05/46/02/204054602.db2.gz ZIYQXOUIMFRHHF-UHFFFAOYSA-N 0 0 396.490 5.391 50 10 GKCARN CCOc1ccc(NN=C2C=C(Br)C=C(C(C)(C)C)C2=O)cc1 ZINC000004603734 204056614 /nfs/dbraw/zinc/05/66/14/204056614.db2.gz JFUABIDOTIKNET-QZQOTICOSA-N 0 0 377.282 6.266 50 10 GKCARN Cc1c(C(=O)NCc2ccccc2)cc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000004630424 204059477 /nfs/dbraw/zinc/05/94/77/204059477.db2.gz LMAWUHBALOZVMY-UHFFFAOYSA-N 0 0 384.454 5.522 50 10 GKCARN CN1C(=O)/C(=C\c2ccccc2OCc2cccc3ccccc32)SC1=S ZINC000005103044 204113070 /nfs/dbraw/zinc/11/30/70/204113070.db2.gz YFIHEWGRSFLFHF-DEDYPNTBSA-N 0 0 391.517 5.250 50 10 GKCARN O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000005170969 204116237 /nfs/dbraw/zinc/11/62/37/204116237.db2.gz SDWSIYOJXCPDCS-RIYZIHGNSA-N 0 0 399.846 5.765 50 10 GKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S ZINC000005051673 204107174 /nfs/dbraw/zinc/10/71/74/204107174.db2.gz ZZBNVOPKQBUKCP-AUQXIXNCSA-N 0 0 375.518 5.802 50 10 GKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S ZINC000005051674 204107276 /nfs/dbraw/zinc/10/72/76/204107276.db2.gz ZZBNVOPKQBUKCP-NPQOUYBPSA-N 0 0 375.518 5.802 50 10 GKCARN O=c1c2ccccc2nc(/C=C/c2c[nH]c3ccccc23)n1CCc1ccccc1 ZINC000005050973 204107744 /nfs/dbraw/zinc/10/77/44/204107744.db2.gz JYWRKVLOSGQEQH-CCEZHUSRSA-N 0 0 391.474 5.291 50 10 GKCARN CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(/N=N/c3ccccc3)cc1)C(=O)C2=O ZINC000005389805 204131295 /nfs/dbraw/zinc/13/12/95/204131295.db2.gz CPMQRIVUODMQOR-LPIXQNDASA-N 0 0 389.455 5.005 50 10 GKCARN COc1ccccc1N1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S ZINC000005671213 204145460 /nfs/dbraw/zinc/14/54/60/204145460.db2.gz UGWZIYCPUJFNNP-OQLLNIDSSA-N 0 0 396.320 5.408 50 10 GKCARN COc1ccc(N2CCN(c3cc(-c4ccccc4)c4ccccc4n3)CC2)cc1 ZINC000006823302 204212567 /nfs/dbraw/zinc/21/25/67/204212567.db2.gz LOTARIKHMWDITD-UHFFFAOYSA-N 0 0 395.506 5.237 50 10 GKCARN CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S ZINC000006462991 204180522 /nfs/dbraw/zinc/18/05/22/204180522.db2.gz LGJSXMWLKWMJSV-BOPFTXTBSA-N 0 0 389.929 5.140 50 10 GKCARN CC(C)Nc1cc(N2C[C@H](C)C[C@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006737934 204196530 /nfs/dbraw/zinc/19/65/30/204196530.db2.gz LAUOSYUGNDRQMQ-GASCZTMLSA-N 0 0 389.499 5.342 50 10 GKCARN Cc1ccccc1N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S ZINC000006925108 204225042 /nfs/dbraw/zinc/22/50/42/204225042.db2.gz FMFDKWDAFVTHIY-NTEUORMPSA-N 0 0 380.321 5.708 50 10 GKCARN Cc1ccc(/N=N/c2c(N)nn3c(-c4ccccc4)nn(-c4ccccc4)c23)cc1 ZINC000007042787 204231725 /nfs/dbraw/zinc/23/17/25/204231725.db2.gz AGRBRWXQEGPVGN-OCEACIFDSA-N 0 0 393.454 5.493 50 10 GKCARN Cc1cc(CNC(=O)Nc2cccc(Cl)c2C)c(C)n1-c1ccc(F)cc1 ZINC000009228710 204303853 /nfs/dbraw/zinc/30/38/53/204303853.db2.gz MGYINJDXVLIMSP-UHFFFAOYSA-N 0 0 385.870 5.517 50 10 GKCARN Cc1ccccc1C[N@@H+](C)Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C)oc21 ZINC000009549869 204315725 /nfs/dbraw/zinc/31/57/25/204315725.db2.gz NRCQDVQQSJRTEO-UHFFFAOYSA-N 0 0 399.490 5.414 50 10 GKCARN CN(C)c1cccc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc32)c1 ZINC000010910125 204340165 /nfs/dbraw/zinc/34/01/65/204340165.db2.gz QLPPUNUNXVEFCF-RUZDIDTESA-N 0 0 396.490 5.131 50 10 GKCARN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000010550656 204336761 /nfs/dbraw/zinc/33/67/61/204336761.db2.gz JRBQDOIWIYTXBD-UHFFFAOYSA-N 0 0 399.450 5.192 50 10 GKCARN COc1ccc2c(c1)S[C@@H](c1ccccc1F)CCN2Cc1nc(C)c[nH]1 ZINC000012151472 204376759 /nfs/dbraw/zinc/37/67/59/204376759.db2.gz RMFVDKXMPSTABY-LJQANCHMSA-N 0 0 383.492 5.110 50 10 GKCARN COc1ccc2c(c1)S[C@@H](c1ccccc1F)CCN2Cc1c[nH]c(C)n1 ZINC000012246499 204386694 /nfs/dbraw/zinc/38/66/94/204386694.db2.gz PRRQYLOIEKNIGA-HXUWFJFHSA-N 0 0 383.492 5.110 50 10 GKCARN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1sccc1C ZINC000014009138 204520713 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GKCARN Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000001150899 206360052 /nfs/dbraw/zinc/36/00/52/206360052.db2.gz KPMDPWKGSQSXJG-UNOMPAQXSA-N 0 0 395.480 5.800 50 10 GKCARN CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000001152346 206360759 /nfs/dbraw/zinc/36/07/59/206360759.db2.gz YVUNNQLZDHEQNI-UNOMPAQXSA-N 0 0 383.538 5.123 50 10 GKCARN CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S ZINC000001205356 206366896 /nfs/dbraw/zinc/36/68/96/206366896.db2.gz YVEBXMKQXVCUED-JYRVWZFOSA-N 0 0 384.309 5.475 50 10 GKCARN O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1c1ccc(O)cc1 ZINC000001215441 206368332 /nfs/dbraw/zinc/36/83/32/206368332.db2.gz XATGROGLIDMPIH-ZSOIEALJSA-N 0 0 382.293 5.105 50 10 GKCARN CCN1c2ccc(C)cc2C=C/C1=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000002065939 206396587 /nfs/dbraw/zinc/39/65/87/206396587.db2.gz NLVDCJNDWUMISD-VXPUYCOJSA-N 0 0 392.549 5.120 50 10 GKCARN CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000003768840 206494102 /nfs/dbraw/zinc/49/41/02/206494102.db2.gz UHKPCFWTFYWIAB-RBYWHNRPSA-N 0 0 397.565 5.887 50 10 GKCARN Oc1ccc2ccccc2c1N=Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000004323688 206515334 /nfs/dbraw/zinc/51/53/34/206515334.db2.gz ZKKVQOZQMWFFOS-QURGRASLSA-N 0 0 386.065 7.574 50 10 GKCARN COc1ccc(-n2c(-c3ccc(C)cc3)cc3c2CC(C)(C)CC3=O)cc1Cl ZINC000004884906 206566438 /nfs/dbraw/zinc/56/64/38/206566438.db2.gz QEXIKWCJKYNIRX-UHFFFAOYSA-N 0 0 393.914 6.270 50 10 GKCARN O=C1/C(=C\c2ccc(-c3ccccc3)o2)SC(=S)N1CCc1ccccc1 ZINC000004892203 206567532 /nfs/dbraw/zinc/56/75/32/206567532.db2.gz WXMDDKSTRAZFRW-HMMYKYKNSA-N 0 0 391.517 5.391 50 10 GKCARN CCCCCC[C@@]1(C)N=C(c2ccc(Cl)cc2)C[C@H](c2ccccc2O)N1 ZINC000004729863 206548409 /nfs/dbraw/zinc/54/84/09/206548409.db2.gz QYHFSKBMZCWCKC-GGAORHGYSA-N 0 0 384.951 6.256 50 10 GKCARN C[C@H]1CCCN(c2cc(Br)c3noc4c3c2C(=O)c2ccccc2-4)C1 ZINC000004770063 206553755 /nfs/dbraw/zinc/55/37/55/206553755.db2.gz WPXMMIFBWKTYKZ-NSHDSACASA-N 0 0 397.272 5.038 50 10 GKCARN CCN(CC)c1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000004798145 206555942 /nfs/dbraw/zinc/55/59/42/206555942.db2.gz GLDAWBSWGZCSOH-AQTBWJFISA-N 0 0 386.904 5.427 50 10 GKCARN Cn1c(-c2ccccc2)cnc1SCC(=O)N(c1ccccc1)c1ccccc1 ZINC000005022003 206584287 /nfs/dbraw/zinc/58/42/87/206584287.db2.gz WWQSXPZWKGQDIR-UHFFFAOYSA-N 0 0 399.519 5.544 50 10 GKCARN CC(=Cc1ccccc1)C=C1SC(Nc2cc(Cl)cc(Cl)c2)=NC1=O ZINC000005478348 206615596 /nfs/dbraw/zinc/61/55/96/206615596.db2.gz GOVDXADQNGZDMM-QWWHEIEGSA-N 0 0 389.307 6.022 50 10 GKCARN CCN(CC)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000100726185 211390399 /nfs/dbraw/zinc/39/03/99/211390399.db2.gz VRLGJTNNGMODGO-XMMPIXPASA-N 0 0 389.543 6.404 50 10 GKCARN O=C1c2ccccc2-c2onc3c2c1c(Nc1ccccc1)cc3N1CCCC1 ZINC000100565666 211388038 /nfs/dbraw/zinc/38/80/38/211388038.db2.gz CSXLLJVEXBCLNW-UHFFFAOYSA-N 0 0 381.435 5.383 50 10 GKCARN COc1ccccc1NC(=O)C1=Cc2ccccc2C(=NNc2ccccc2)C1=O ZINC000100294511 211386851 /nfs/dbraw/zinc/38/68/51/211386851.db2.gz IHQQARHAUQZTPK-CYYJNZCTSA-N 0 0 397.434 6.222 50 10 GKCARN CC1=NN(c2ccccc2)C(=S)C1=CNc1ccc(N=Nc2ccccc2)cc1 ZINC000100433137 211386741 /nfs/dbraw/zinc/38/67/41/211386741.db2.gz VADQCXDTYYUJSA-SFFUPWIKSA-N 0 0 397.507 6.621 50 10 GKCARN Cc1cc(Cl)ccc1N[C@@H](c1cccnc1)c1ccc2cccnc2c1O ZINC000096287667 211331984 /nfs/dbraw/zinc/33/19/84/211331984.db2.gz XFPJCYOPVIHOJB-FQEVSTJZSA-N 0 0 375.859 5.499 50 10 GKCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(-c2ccc(N)cc2)cc1 ZINC000095470904 211245846 /nfs/dbraw/zinc/24/58/46/211245846.db2.gz AQGOMMYTYAQCGS-BUVRLJJBSA-N 0 0 396.494 5.271 50 10 GKCARN O=C(c1ccccc1Cl)N1N=C(c2ccccc2O)C[C@@H]1c1ccccc1 ZINC000089827844 211185123 /nfs/dbraw/zinc/18/51/23/211185123.db2.gz YMOLQCOCGKRKKP-HXUWFJFHSA-N 0 0 376.843 5.037 50 10 GKCARN Cc1cc2c(n1-c1ccc(C(=O)NC[C@H](C)c3ccccc3)cc1)CC[C@H](C)C2 ZINC000006877965 206688655 /nfs/dbraw/zinc/68/86/55/206688655.db2.gz LSWNGBSJVMNJFU-OALUTQOASA-N 0 0 386.539 5.444 50 10 GKCARN CC(C)CNc1cc(NC2CCCCC2)c2c3c1noc3-c1ccccc1C2=O ZINC000008603402 206757344 /nfs/dbraw/zinc/75/73/44/206757344.db2.gz PXONPFTZFWDGFC-UHFFFAOYSA-N 0 0 389.499 5.852 50 10 GKCARN COc1ccc(-n2c(C)cc(CNC(=O)Nc3cccc(Cl)c3)c2C)cc1 ZINC000009228625 206779206 /nfs/dbraw/zinc/77/92/06/206779206.db2.gz UAIZDEFANVKVCP-UHFFFAOYSA-N 0 0 383.879 5.078 50 10 GKCARN Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000015799828 207061869 /nfs/dbraw/zinc/06/18/69/207061869.db2.gz OWWZYTNWUQGJAH-NDENLUEZSA-N 0 0 392.455 5.474 50 10 GKCARN CC(=O)c1ccc(N=Nc2cc3c(cc2C)N(CCO)C(C)(C)C[C@H]3C)cc1 ZINC000018008222 207091135 /nfs/dbraw/zinc/09/11/35/207091135.db2.gz PAKKTQQUDSXPRF-DPQBTTMVSA-N 0 0 379.504 5.698 50 10 GKCARN COc1ccc2c(c1)-c1c(ss/c1=N\c1cc(C)ccc1O)C(C)(C)N2 ZINC000018099712 207092896 /nfs/dbraw/zinc/09/28/96/207092896.db2.gz UBBATCXANFMCLJ-VZCXRCSSSA-N 0 0 384.526 5.392 50 10 GKCARN CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000022228756 207249512 /nfs/dbraw/zinc/24/95/12/207249512.db2.gz BEWMTOAARMUKDU-UHFFFAOYSA-N 0 0 395.528 5.001 50 10 GKCARN O=C1/C(=C\c2ccc(-c3cccc(F)c3)o2)SC(=S)N1Cc1ccco1 ZINC000032624162 207399711 /nfs/dbraw/zinc/39/97/11/207399711.db2.gz ZHXMOKNEEOMDEX-LICLKQGHSA-N 0 0 385.441 5.080 50 10 GKCARN Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1cccs1 ZINC000102907352 208413443 /nfs/dbraw/zinc/41/34/43/208413443.db2.gz HYISJSLPTBJNBH-OXJNMPFZSA-N 0 0 382.872 5.349 50 10 GKCARN CCc1cccc(C(=O)C[C@@H](c2ccccc2)C2C(=O)c3ccccc3C2=O)c1 ZINC000104931812 208433049 /nfs/dbraw/zinc/43/30/49/208433049.db2.gz KOAXTKNYMJVTAO-QFIPXVFZSA-N 0 0 382.459 5.301 50 10 GKCARN Cc1cc(C(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccc(C)cc1 ZINC000000939302 208488159 /nfs/dbraw/zinc/48/81/59/208488159.db2.gz RWQRRERJKPSFRW-UHFFFAOYSA-N 0 0 392.549 5.987 50 10 GKCARN CCN1C(=O)/C(=C/c2ccc(COc3ccc(Cl)c(C)c3)o2)SC1=S ZINC000001016018 208490171 /nfs/dbraw/zinc/49/01/71/208490171.db2.gz NOIAQFSZPUJBBG-SXGWCWSVSA-N 0 0 393.917 5.042 50 10 GKCARN C[C@@H]1CCC[N@H+](Cc2c([O-])c(Cl)cc3c(-c4ccccc4)cc(=O)oc32)C1 ZINC000020411946 210330838 /nfs/dbraw/zinc/33/08/38/210330838.db2.gz PQSVFDYNLVQGFA-CQSZACIVSA-N 0 0 383.875 5.051 50 10 GKCARN CCC[NH+](CCC)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)coc21 ZINC000019793061 210298262 /nfs/dbraw/zinc/29/82/62/210298262.db2.gz HMIWWXWHZDVFBV-UHFFFAOYSA-N 0 0 385.891 5.441 50 10 GKCARN CN(C)c1ccc([C@@H]2Nc3nc4ccccc4cc3C(=O)N2c2ccccc2)cc1 ZINC000019625172 210276400 /nfs/dbraw/zinc/27/64/00/210276400.db2.gz QBWFQXFTOOWXLK-XMMPIXPASA-N 0 0 394.478 5.072 50 10 GKCARN Clc1ccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1Cl ZINC000001426789 220498186 /nfs/dbraw/zinc/49/81/86/220498186.db2.gz HARXTGHENDOATH-UHFFFAOYSA-N 0 0 386.238 5.413 50 10 GKCARN Cc1ccc(N2C(=O)/C(=C/c3c(F)cccc3Cl)SC2=S)c(C)c1 ZINC000002326912 220522776 /nfs/dbraw/zinc/52/27/76/220522776.db2.gz ZJXOGTDTEKZEDH-SXGWCWSVSA-N 0 0 377.893 5.502 50 10 GKCARN CCOc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000227486692 209000407 /nfs/dbraw/zinc/00/04/07/209000407.db2.gz WONRCFAFRBIBSK-PGRDOPGGSA-N 0 0 392.480 5.095 50 10 GKCARN O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1Cc1ccccc1 ZINC000002801371 220567972 /nfs/dbraw/zinc/56/79/72/220567972.db2.gz GXVYGJPQTIYJIG-NVNXTCNLSA-N 0 0 380.321 5.395 50 10 GKCARN Cc1cc(C(=O)OCC(=O)Nc2ccccc2C(C)C)c(C)n1-c1ccccc1 ZINC000003262601 220617562 /nfs/dbraw/zinc/61/75/62/220617562.db2.gz VJXKYFVFRBIYJS-UHFFFAOYSA-N 0 0 390.483 5.013 50 10 GKCARN Cc1cc(-c2csc(NCC(C)C)n2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000003328227 220629095 /nfs/dbraw/zinc/62/90/95/220629095.db2.gz UHXIKEYJIRXHIW-UHFFFAOYSA-N 0 0 383.517 5.057 50 10 GKCARN O=C1S/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccccc1Cl ZINC000004106747 220681517 /nfs/dbraw/zinc/68/15/17/220681517.db2.gz GYEKGFSMPHAOKN-UYRXBGFRSA-N 0 0 398.915 5.177 50 10 GKCARN Oc1ccc([C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)cc1O ZINC000004180779 220690051 /nfs/dbraw/zinc/69/00/51/220690051.db2.gz AFBZIMUCEJUHRT-VWLOTQADSA-N 0 0 395.458 5.531 50 10 GKCARN COc1ccc(Br)cc1[C@H]1Nc2c(F)cc(F)cc2[C@H]2C=CC[C@@H]21 ZINC000004664560 220744395 /nfs/dbraw/zinc/74/43/95/220744395.db2.gz DABIPKHAFYILJH-LXIYXOSZSA-N 0 0 392.243 5.562 50 10 GKCARN COc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1 ZINC000004738995 220757049 /nfs/dbraw/zinc/75/70/49/220757049.db2.gz SHGRGHLQVGBEBP-XDJHFCHBSA-N 0 0 398.418 5.075 50 10 GKCARN CN(C)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000005569761 220882490 /nfs/dbraw/zinc/88/24/90/220882490.db2.gz IWEYTFCIUJKEMZ-LADGPHEKSA-N 0 0 387.458 5.134 50 10 GKCARN COc1ccc2c3ccc(OCc4ccc(C(C)(C)C)cc4)cc3oc(=O)c2c1 ZINC000005543682 220881054 /nfs/dbraw/zinc/88/10/54/220881054.db2.gz YCNWUISCDYVGNU-UHFFFAOYSA-N 0 0 388.463 5.831 50 10 GKCARN CCOc1cc(-c2ccccc2)c2c(N)c(C(=O)Oc3ccccc3)sc2n1 ZINC000096592278 209017017 /nfs/dbraw/zinc/01/70/17/209017017.db2.gz ZRCZFUYSYNOTMI-UHFFFAOYSA-N 0 0 390.464 5.163 50 10 GKCARN Cc1cc(CNC(=O)Nc2cccc(C)c2C)c(C)n1-c1ccc(Cl)cc1 ZINC000009228581 221074676 /nfs/dbraw/zinc/07/46/76/221074676.db2.gz ZLTDPTJDRAMQFX-UHFFFAOYSA-N 0 0 381.907 5.686 50 10 GKCARN Cc1cc(CNC(=O)Nc2ccc(C)c(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000009228693 221074836 /nfs/dbraw/zinc/07/48/36/221074836.db2.gz WDUWVNOQVASAIV-UHFFFAOYSA-N 0 0 385.870 5.517 50 10 GKCARN CSc1cccc(NC(=O)NCc2cc(C)n(-c3ccc(F)cc3)c2C)c1 ZINC000009228727 221074985 /nfs/dbraw/zinc/07/49/85/221074985.db2.gz BMOFGWCSSNWBMP-UHFFFAOYSA-N 0 0 383.492 5.277 50 10 GKCARN COc1cc2c(cc1NCC(=O)Nc1ccccc1C(C)C)oc1ccccc12 ZINC000011619429 221118964 /nfs/dbraw/zinc/11/89/64/221118964.db2.gz OJATWEWUOJMIDN-UHFFFAOYSA-N 0 0 388.467 5.769 50 10 GKCARN CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000012382323 221187821 /nfs/dbraw/zinc/18/78/21/221187821.db2.gz PCSFGONBZQAHOM-XQBPLPMBSA-N 0 0 392.455 5.234 50 10 GKCARN Cc1cc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c(C)n1-c1ccccc1 ZINC000012604490 221214175 /nfs/dbraw/zinc/21/41/75/221214175.db2.gz GKASVFHOIQPKEO-AREMUKBSSA-N 0 0 390.490 6.083 50 10 GKCARN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000013547635 221271751 /nfs/dbraw/zinc/27/17/51/221271751.db2.gz RNEJKBLLCBITSS-ZHZULCJRSA-N 0 0 396.581 5.555 50 10 GKCARN COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000013564034 221272650 /nfs/dbraw/zinc/27/26/50/221272650.db2.gz OPHRULGTXCGKRT-NVNXTCNLSA-N 0 0 396.320 5.408 50 10 GKCARN Clc1ccc2c(c1Cl)N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000013576365 221273988 /nfs/dbraw/zinc/27/39/88/221273988.db2.gz CXKQYUCLXMIULC-IIYDPXPESA-N 0 0 395.127 6.582 50 10 GKCARN Cn1cc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000013778312 221287749 /nfs/dbraw/zinc/28/77/49/221287749.db2.gz DIXZXBDEOUEHMQ-YVLHZVERSA-N 0 0 384.913 5.238 50 10 GKCARN Cc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)o1 ZINC000013757998 221287823 /nfs/dbraw/zinc/28/78/23/221287823.db2.gz VNYSMKWHBVBVSE-UYRXBGFRSA-N 0 0 393.489 5.786 50 10 GKCARN CC1=NN(c2ccc3ccccc3c2)C(=O)/C1=C\c1cc2c(cc1Cl)OCO2 ZINC000015015667 221325775 /nfs/dbraw/zinc/32/57/75/221325775.db2.gz KCVGIYPZPOWXIE-NVMNQCDNSA-N 0 0 390.826 5.028 50 10 GKCARN CCN1C(=O)/C(=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)SC1=S ZINC000015012125 221325830 /nfs/dbraw/zinc/32/58/30/221325830.db2.gz YVBZZYMMICMXEP-DJKKODMXSA-N 0 0 399.581 5.081 50 10 GKCARN COc1ccc2ccccc2c1/C=C1/SC(=S)N(C2CCCCC2)C1=O ZINC000015011466 221326013 /nfs/dbraw/zinc/32/60/13/221326013.db2.gz DPONJJYCCXJZKK-CPNJWEJPSA-N 0 0 383.538 5.382 50 10 GKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000016160945 221359268 /nfs/dbraw/zinc/35/92/68/221359268.db2.gz ITBQPZZPINZSTJ-ATVHPVEESA-N 0 0 397.261 6.060 50 10 GKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2C)SC1=S ZINC000016733513 221369871 /nfs/dbraw/zinc/36/98/71/221369871.db2.gz CLKPZNNXHBGZBL-KSFZUODXSA-N 0 0 393.533 5.356 50 10 GKCARN CCCCC(=O)Nc1cc(/N=N/c2ccccc2)cc(NC(=O)CCCC)c1 ZINC000017077803 221377217 /nfs/dbraw/zinc/37/72/17/221377217.db2.gz VRFVQVGZWBMNPS-OCEACIFDSA-N 0 0 380.492 6.359 50 10 GKCARN Cc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N3C[C@H]1CC=C[C@@H]21 ZINC000101119279 136193056 /nfs/dbraw/zinc/19/30/56/136193056.db2.gz VOUNWWOTGCOYHY-QVCLANMBSA-N 0 0 384.479 5.798 50 10 GKCARN CCOc1ccc(N2COc3c(C)c4oc(=O)c5ccccc5c4cc3C2)cc1 ZINC000002114716 136193258 /nfs/dbraw/zinc/19/32/58/136193258.db2.gz HVVTXOIAQGKDJD-UHFFFAOYSA-N 0 0 387.435 5.010 50 10 biogenic GKCARN Cc1ccccc1N1CCN(C(=S)c2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000001471369 136193286 /nfs/dbraw/zinc/19/32/86/136193286.db2.gz JVTUXHXVJGGMBY-UHFFFAOYSA-N 0 0 396.943 5.406 50 10 GKCARN Cc1ccccc1NC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21 ZINC000102989105 136196454 /nfs/dbraw/zinc/19/64/54/136196454.db2.gz XWTWCLAEJRUAPM-VURPSTOHSA-N 0 0 382.507 5.400 50 10 GKCARN Fc1ccccc1[C@@H]1[C@@H]2CC=C[C@@H]2c2c3ccccc3cc3c2N1C[C@@H]1CC=C[C@@H]31 ZINC000169684057 136197515 /nfs/dbraw/zinc/19/75/15/136197515.db2.gz FVAFZNALYZHRMV-DIBLOFEHSA-N 0 0 393.505 6.873 50 10 GKCARN CN1CCCc2cc([C@@H]3C=Cc4ccccc4N3C(=O)c3ccccc3)ccc21 ZINC000022016736 221551066 /nfs/dbraw/zinc/55/10/66/221551066.db2.gz JNNGMEOOKMBABH-VWLOTQADSA-N 0 0 380.491 5.484 50 10 GKCARN CC(=O)Nc1cccc(NC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)c1 ZINC000027800484 221661538 /nfs/dbraw/zinc/66/15/38/221661538.db2.gz WDNQMJJVXUZDRR-UHFFFAOYSA-N 0 0 389.499 5.428 50 10 GKCARN C1=C[C@@H]2c3ccc4ccccc4c3N[C@@H](c3ccc(OC4CSC4)cc3)[C@H]2C1 ZINC000033674997 221795386 /nfs/dbraw/zinc/79/53/86/221795386.db2.gz NABCRLYCYNWQGM-FIXSFTCYSA-N 0 0 385.532 6.161 50 10 GKCARN COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000053362928 222009159 /nfs/dbraw/zinc/00/91/59/222009159.db2.gz AZXXITQOMXYZKP-GGAORHGYSA-N 0 0 392.886 5.277 50 10 GKCARN Oc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=N[C@@H](c2ccc(F)cc2)N1 ZINC000053363448 222009572 /nfs/dbraw/zinc/00/95/72/222009572.db2.gz TUFINIDUSUBAOP-RBBKRZOGSA-N 0 0 380.850 5.407 50 10 GKCARN O=[N+]([O-])c1cccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@H]32)c1 ZINC000059267169 222055843 /nfs/dbraw/zinc/05/58/43/222055843.db2.gz GWTIDZVWFXMAEX-CPUCHLNUSA-N 0 0 389.224 5.323 50 10 GKCARN CN(Cc1c(O)ccc2ccccc21)[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000084321961 222315016 /nfs/dbraw/zinc/31/50/16/222315016.db2.gz AVACYRUUXFEQEK-JOCHJYFZSA-N 0 0 391.902 5.154 50 10 GKCARN FC(F)(F)c1ccccc1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@@H]21 ZINC000169620816 222537550 /nfs/dbraw/zinc/53/75/50/222537550.db2.gz ZXYAQJUUELYZIL-BWACUDIHSA-N 0 0 394.234 6.294 50 10 GKCARN Oc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccsc2)cc1 ZINC000245171828 526343816 /nfs/dbraw/zinc/34/38/16/526343816.db2.gz XWZKIDFRJHHFHR-ICSRJNTNSA-N 0 0 382.872 5.349 50 10 GKCARN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Br)N2 ZINC000111478430 570217370 /nfs/dbraw/zinc/21/73/70/570217370.db2.gz IBCGZVVQLBSIAJ-TYILLQQXSA-N 0 0 399.288 5.801 50 10 GKCARN CC[C@H]1CCCC[N@@H+]1Cc1c([O-])c(Cl)cc2c(-c3ccccc3)cc(=O)oc21 ZINC000019789555 570219112 /nfs/dbraw/zinc/21/91/12/570219112.db2.gz DOFZUJJFKJSWGS-INIZCTEOSA-N 0 0 397.902 5.584 50 10 GKCARN Cc1ccc(C)n1-c1cccc(NC(=O)c2cccc(-n3c(C)ccc3C)c2)c1 ZINC000000755635 570222346 /nfs/dbraw/zinc/22/23/46/570222346.db2.gz ZWHRLZSNJHBOOH-UHFFFAOYSA-N 0 0 383.495 5.754 50 10 GKCARN CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S ZINC000001462135 570229990 /nfs/dbraw/zinc/22/99/90/570229990.db2.gz LPPLQDAXUAWBON-DHDCSXOGSA-N 0 0 398.336 5.865 50 10 GKCARN Cc1ccc(C2=NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)S2)cc1 ZINC000006076795 570235030 /nfs/dbraw/zinc/23/50/30/570235030.db2.gz STZGINWYWOEPQG-XDHOZWIPSA-N 0 0 379.868 5.970 50 10 GKCARN CCOc1ccccc1NC(=O)CNc1cc2oc3ccccc3c2cc1OC ZINC000011619219 570237828 /nfs/dbraw/zinc/23/78/28/570237828.db2.gz MGSUEQLKLJJOGK-UHFFFAOYSA-N 0 0 390.439 5.044 50 10 GKCARN CCCOc1ccc(Br)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C ZINC000004819511 570245659 /nfs/dbraw/zinc/24/56/59/570245659.db2.gz LJMQCJOFCQPQTD-QGOAFFKASA-N 0 0 399.288 5.044 50 10 GKCARN Cc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)s1 ZINC000001132808 570246243 /nfs/dbraw/zinc/24/62/43/570246243.db2.gz XRBPURWCUNERFH-NRFANRHFSA-N 0 0 375.497 5.524 50 10 GKCARN Cc1ccsc1/C=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000001147550 570248765 /nfs/dbraw/zinc/24/87/65/570248765.db2.gz BRTVRDJRSRIUSE-MDWZMJQESA-N 0 0 385.457 5.481 50 10 GKCARN Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000001156702 570250228 /nfs/dbraw/zinc/25/02/28/570250228.db2.gz CZGJPDNLWJMCNM-LICLKQGHSA-N 0 0 384.913 5.536 50 10 GKCARN Cc1ccc(N2C(=O)/C(=C/c3ccccc3Br)SC2=S)cc1 ZINC000001160392 570251738 /nfs/dbraw/zinc/25/17/38/570251738.db2.gz LTWZZPKTYVXIAB-GDNBJRDFSA-N 0 0 390.327 5.163 50 10 GKCARN Cc1cc(C=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000001173583 570253671 /nfs/dbraw/zinc/25/36/71/570253671.db2.gz ZVQFYCXQEACYNS-UHFFFAOYSA-N 0 0 384.273 5.248 50 10 GKCARN Cc1cccc(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)c1C ZINC000001788083 570268365 /nfs/dbraw/zinc/26/83/65/570268365.db2.gz WRCCIAVQVCOQAN-MOSHPQCFSA-N 0 0 375.518 5.862 50 10 GKCARN CCc1cccc(CC)c1NC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 ZINC000001777336 570268462 /nfs/dbraw/zinc/26/84/62/570268462.db2.gz WLTLWOTWYIYOPT-UHFFFAOYSA-N 0 0 385.463 5.129 50 10 GKCARN O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1c1cccc(Cl)c1 ZINC000001800752 570268643 /nfs/dbraw/zinc/26/86/43/570268643.db2.gz NEWDJBBOPFKAGR-ZSOIEALJSA-N 0 0 384.284 5.538 50 10 GKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1 ZINC000100233096 570269843 /nfs/dbraw/zinc/26/98/43/570269843.db2.gz OORCLYAJOCCRGA-PXLXIMEGSA-N 0 0 386.426 5.211 50 10 GKCARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)/N=N/C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000043762032 570271772 /nfs/dbraw/zinc/27/17/72/570271772.db2.gz NFTASUQYTUXRSI-VNFRIIMZSA-N 0 0 394.556 6.633 50 10 GKCARN O=C1c2ccccc2C(=O)C1C1=C[C@H](c2ccccc2)[C@H](c2ccccc2)N=N1 ZINC000100561199 570273250 /nfs/dbraw/zinc/27/32/50/570273250.db2.gz KIYHLVSJGSNBEX-OFNKIYASSA-N 0 0 378.431 5.557 50 10 GKCARN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000005739787 570273567 /nfs/dbraw/zinc/27/35/67/570273567.db2.gz QHTDKILFXGLBJU-TYILLQQXSA-N 0 0 389.282 6.345 50 10 GKCARN CCOc1cccc(CNc2ccc(O)cc2)c1OCc1ccc(Cl)cc1 ZINC000002160094 570276679 /nfs/dbraw/zinc/27/66/79/570276679.db2.gz KAQJMGLQVPKIJA-UHFFFAOYSA-N 0 0 383.875 5.635 50 10 GKCARN COc1ccc(Cl)c2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@H]21 ZINC000006646339 570279369 /nfs/dbraw/zinc/27/93/69/570279369.db2.gz YNCGFOQAHMGLRL-PZROIBLQSA-N 0 0 390.708 5.938 50 10 GKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000002253542 570280492 /nfs/dbraw/zinc/28/04/92/570280492.db2.gz SQNOBOMKOZLJSM-WIWNTQSISA-N 0 0 394.348 5.956 50 10 GKCARN O=C1/C(=C/c2cccs2)SC(=S)N1c1ccc(Oc2ccccc2)cc1 ZINC000002321629 570282469 /nfs/dbraw/zinc/28/24/69/570282469.db2.gz HGFMBEKEDDWAJM-AQTBWJFISA-N 0 0 395.530 5.946 50 10 GKCARN COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000000670069 570288749 /nfs/dbraw/zinc/28/87/49/570288749.db2.gz OKSDPWVZAUEUAF-FXBPSFAMSA-N 0 0 396.490 5.233 50 10 GKCARN Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000021278316 570289614 /nfs/dbraw/zinc/28/96/14/570289614.db2.gz 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O=C1/C(=C\c2ccccc2F)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000005170976 570491471 /nfs/dbraw/zinc/49/14/71/570491471.db2.gz NGQPTDVIXQOMIV-RIYZIHGNSA-N 0 0 383.391 5.250 50 10 GKCARN O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1c1cccc(Cl)c1 ZINC000005171754 570491508 /nfs/dbraw/zinc/49/15/08/570491508.db2.gz VYBOLHDCFGAMSA-WQRHYEAKSA-N 0 0 381.909 5.899 50 10 GKCARN Oc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000006863817 570497152 /nfs/dbraw/zinc/49/71/52/570497152.db2.gz QFGWWMOKECHORR-UGKGYDQZSA-N 0 0 376.843 5.288 50 10 GKCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2 ZINC000004624360 570497753 /nfs/dbraw/zinc/49/77/53/570497753.db2.gz ANSKEBAPMGMQFR-FUHIMQAGSA-N 0 0 387.401 5.709 50 10 GKCARN CCCCc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2)cc1 ZINC000005186104 570497780 /nfs/dbraw/zinc/49/77/80/570497780.db2.gz FSFZAWQWDSJJFI-LYBHJNIJSA-N 0 0 380.491 5.864 50 10 GKCARN COc1ccc(Br)cc1[C@@H]1Nc2ccc(Cl)cc2[C@H]2C=CC[C@H]21 ZINC000004828160 570498233 /nfs/dbraw/zinc/49/82/33/570498233.db2.gz OETMSCHDQYEHFZ-IQUTYRLHSA-N 0 0 390.708 5.938 50 10 GKCARN COc1ccc([C@@H]2Nc3c(OC)ccc(Cl)c3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000004828904 570498295 /nfs/dbraw/zinc/49/82/95/570498295.db2.gz LOMHKTSXDZGTJT-JMERFSKESA-N 0 0 386.835 5.092 50 10 GKCARN Cc1ccccc1C(=O)Nc1ccc2c3c1[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21 ZINC000006995539 570499768 /nfs/dbraw/zinc/49/97/68/570499768.db2.gz VOJDALBZNZGDGH-YXYSEUPNSA-N 0 0 382.507 5.400 50 10 GKCARN CCOP(=O)(OCC)[C@@H](Nc1ccc(C)cc1)c1ccc(N(C)C)cc1 ZINC000003092947 570503152 /nfs/dbraw/zinc/50/31/52/570503152.db2.gz GIZKYJLPYWQOLZ-HXUWFJFHSA-N 0 0 376.437 5.438 50 10 GKCARN CCCCCCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)SC1=S ZINC000002666919 570504301 /nfs/dbraw/zinc/50/43/01/570504301.db2.gz HIYIUJZUHBWSST-SDXDJHTJSA-N 0 0 376.591 5.314 50 10 GKCARN Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)c1 ZINC000005201192 570505155 /nfs/dbraw/zinc/50/51/55/570505155.db2.gz MRAFBBKHKWZRAA-OVCLIPMQSA-N 0 0 380.321 5.708 50 10 GKCARN CCCCOc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 ZINC000032645646 570513034 /nfs/dbraw/zinc/51/30/34/570513034.db2.gz UWBCNEJDCGXWIG-RUAUKMDKSA-N 0 0 397.565 5.828 50 10 GKCARN O=C1N=C(N2CCCC2)S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000005252773 570529563 /nfs/dbraw/zinc/52/95/63/570529563.db2.gz OKDQLBHEGXLDFD-YBEGLDIGSA-N 0 0 393.295 5.320 50 10 GKCARN CCCC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O ZINC000000869233 570533912 /nfs/dbraw/zinc/53/39/12/570533912.db2.gz VUZPLTKIMHSUFJ-LJQANCHMSA-N 0 0 389.282 5.253 50 10 GKCARN COc1ccccc1[C@@H](NC(=O)C1CCCCC1)c1ccc2ccccc2c1O ZINC000002997759 570539454 /nfs/dbraw/zinc/53/94/54/570539454.db2.gz XRNVRLBZCFLYOT-HSZRJFAPSA-N 0 0 389.495 5.340 50 10 GKCARN Brc1ccc(-c2[nH]c([C@@H]3CC=CCC3)nc2-c2ccccc2)cc1 ZINC000006728104 570554873 /nfs/dbraw/zinc/55/48/73/570554873.db2.gz YBYBNGRYZFKGRM-QGZVFWFLSA-N 0 0 379.301 6.330 50 10 GKCARN CC(C)Nc1cc(N2CCCCCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006737929 570562180 /nfs/dbraw/zinc/56/21/80/570562180.db2.gz IWAKOOOTCJAPEE-UHFFFAOYSA-N 0 0 375.472 5.240 50 10 GKCARN CC(C)Nc1cc(N2CCC[C@@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006737945 570562201 /nfs/dbraw/zinc/56/22/01/570562201.db2.gz ITPPUUAHNKTWKB-CQSZACIVSA-N 0 0 375.472 5.096 50 10 GKCARN COC(=O)c1cccc2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 ZINC000001461874 570584848 /nfs/dbraw/zinc/58/48/48/570584848.db2.gz MBPGNCAYMOGHPH-VBHSOAQHSA-N 0 0 384.273 5.062 50 10 GKCARN O=C(c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1)N1CCCCCC1 ZINC000006781979 570589567 /nfs/dbraw/zinc/58/95/67/570589567.db2.gz FUBYXGFQFRSDIL-UHFFFAOYSA-N 0 0 398.550 6.039 50 10 GKCARN C[C@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)NC3CCCC3)cc2)C1 ZINC000006782070 570589611 /nfs/dbraw/zinc/58/96/11/570589611.db2.gz MCZIUQPBIMOKMY-IBGZPJMESA-N 0 0 398.550 5.942 50 10 GKCARN CC(=Cc1ccccc1)C=C1SC(Nc2ccccc2C(F)(F)F)=NC1=O ZINC000005489740 570614271 /nfs/dbraw/zinc/61/42/71/570614271.db2.gz OGCBAXBGSMUZBR-YMGXUNRSSA-N 0 0 388.414 5.734 50 10 GKCARN COc1ccc(Nc2c(-c3ccco3)nc3ccc(Br)cn32)cc1 ZINC000004597425 570628380 /nfs/dbraw/zinc/62/83/80/570628380.db2.gz TZSVCEYWNCILLD-UHFFFAOYSA-N 0 0 384.233 5.109 50 10 GKCARN CCCC(=O)Oc1c2ccccc2c2nc3ccccc3nc2c1-c1ccccc1 ZINC000004600624 570651922 /nfs/dbraw/zinc/65/19/22/570651922.db2.gz HWJDKDWRCJYWDN-UHFFFAOYSA-N 0 0 392.458 6.309 50 10 GKCARN Cc1ccc(Nc2cc(N3CCCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000000850335 570662624 /nfs/dbraw/zinc/66/26/24/570662624.db2.gz BHRRHVZNYJMBML-UHFFFAOYSA-N 0 0 395.462 5.691 50 10 GKCARN Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000229850087 570666671 /nfs/dbraw/zinc/66/66/71/570666671.db2.gz JFZBWQQOWNVMBU-CPUCHLNUSA-N 0 0 395.127 6.582 50 10 GKCARN COc1ccc([C@@H]2Nc3c(OC)ccc(Cl)c3[C@@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000229885432 570667235 /nfs/dbraw/zinc/66/72/35/570667235.db2.gz LOMHKTSXDZGTJT-VPZZIHKRSA-N 0 0 386.835 5.092 50 10 GKCARN Cc1cc2c(n1-c1ccc(C(=O)NCCCc3ccccc3)cc1)CC[C@H](C)C2 ZINC000006877942 570669256 /nfs/dbraw/zinc/66/92/56/570669256.db2.gz OQVLCAIBDBXRGB-IBGZPJMESA-N 0 0 386.539 5.273 50 10 GKCARN Cc1cc2c(n1-c1ccc(C(=O)NC[C@@H](C)c3ccccc3)cc1)CC[C@@H](C)C2 ZINC000006877966 570669265 /nfs/dbraw/zinc/66/92/65/570669265.db2.gz LSWNGBSJVMNJFU-RTBURBONSA-N 0 0 386.539 5.444 50 10 GKCARN Cc1cc2c(n1-c1ccc(C(=O)NCCc3ccc(Cl)cc3)cc1)CCCC2 ZINC000006877855 570669319 /nfs/dbraw/zinc/66/93/19/570669319.db2.gz GISTVILQZSVZFK-UHFFFAOYSA-N 0 0 392.930 5.290 50 10 GKCARN CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C(C)C)c(OCC)cc1C ZINC000012469322 570672335 /nfs/dbraw/zinc/67/23/35/570672335.db2.gz BQLAIFJLTOUHPE-JWGURIENSA-N 0 0 390.527 6.103 50 10 GKCARN Cc1c2ccc([O-])c(C[N@H+]3CCC[C@H](C)C3)c2oc(=O)c1-c1ccc(Cl)cc1 ZINC000004340370 570678105 /nfs/dbraw/zinc/67/81/05/570678105.db2.gz UDHQUGUVSWOGGT-AWEZNQCLSA-N 0 0 397.902 5.359 50 10 GKCARN O=C1/C(=C/C=C/c2ccco2)SC(=S)N1c1ccc(Br)cc1 ZINC000013803525 570697904 /nfs/dbraw/zinc/69/79/04/570697904.db2.gz HUJBUCUPIVAQEV-NQDFZQDQSA-N 0 0 392.299 5.004 50 10 GKCARN FC(F)(F)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21 ZINC000004623279 570699635 /nfs/dbraw/zinc/69/96/35/570699635.db2.gz RKJGPCAFAAFUHB-JKDFXYPNSA-N 0 0 384.228 6.839 50 10 GKCARN Cc1ccc(N2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)cc1C ZINC000006923836 570706918 /nfs/dbraw/zinc/70/69/18/570706918.db2.gz NURIPYAWISEHLM-CXUHLZMHSA-N 0 0 377.893 5.502 50 10 GKCARN Cc1cccc(COc2ccccc2/C=C2\SC(=S)N(CC(C)C)C2=O)c1 ZINC000006924238 570707005 /nfs/dbraw/zinc/70/70/05/570707005.db2.gz WTIOEWPZQDTBHV-NDENLUEZSA-N 0 0 397.565 5.431 50 10 GKCARN CC(=O)c1c(C)nc2c(c1-c1cccc(Br)c1)C(=O)c1ccccc1-2 ZINC000000988604 570743859 /nfs/dbraw/zinc/74/38/59/570743859.db2.gz NCULDSSQYORJMZ-UHFFFAOYSA-N 0 0 392.252 5.234 50 10 GKCARN Cc1ccnc(N[C@@H](c2ccc(C(C)C)cc2)c2ccc3cccnc3c2O)c1 ZINC000013060384 570744737 /nfs/dbraw/zinc/74/47/37/570744737.db2.gz IUBFBKTYCGEBEG-QHCPKHFHSA-N 0 0 383.495 5.969 50 10 GKCARN O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000013514513 570756488 /nfs/dbraw/zinc/75/64/88/570756488.db2.gz USOPLXYWLWUWNU-ZSOIEALJSA-N 0 0 383.391 5.250 50 10 GKCARN O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1Cc1ccccc1 ZINC000009188438 570774376 /nfs/dbraw/zinc/77/43/76/570774376.db2.gz UONLAQCUVFSHNF-ZROIWOOFSA-N 0 0 380.321 5.395 50 10 GKCARN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000007128764 570799727 /nfs/dbraw/zinc/79/97/27/570799727.db2.gz ZCYXCHBCKIOLCI-UHFFFAOYSA-N 0 0 392.311 5.125 50 10 GKCARN COc1ccc(/C=C2\C=C(c3ccc(-c4ccccc4)cc3)OC2=O)c(OC)c1 ZINC000013897687 570799979 /nfs/dbraw/zinc/79/99/79/570799979.db2.gz AJQAJQOYXCIWCK-KGENOOAVSA-N 0 0 384.431 5.352 50 10 GKCARN CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000137079312 570801769 /nfs/dbraw/zinc/80/17/69/570801769.db2.gz UJBASWMAQWPIKU-MDWZMJQESA-N 0 0 388.279 5.409 50 10 GKCARN CC(C)NC(=O)c1ccc(-n2c(-c3ccc(F)cc3)cc3c2CCCCC3)cc1 ZINC000033114828 570813236 /nfs/dbraw/zinc/81/32/36/570813236.db2.gz WKKQNMPWHAVUOQ-UHFFFAOYSA-N 0 0 390.502 5.691 50 10 GKCARN Cc1ccc(-c2cc3c(n2-c2ccc(C(=O)NC4CC4)cc2)CCCCC3)cc1 ZINC000033114845 570813286 /nfs/dbraw/zinc/81/32/86/570813286.db2.gz DRKDVPCGRGDQQI-UHFFFAOYSA-N 0 0 384.523 5.614 50 10 GKCARN CCCNC(=O)c1ccc(-n2c(-c3ccc(C)cc3)cc3c2CCCCC3)cc1 ZINC000033114844 570813296 /nfs/dbraw/zinc/81/32/96/570813296.db2.gz LQJIUYMAGAYBFX-UHFFFAOYSA-N 0 0 386.539 5.861 50 10 GKCARN Cc1cc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccc(F)cc1 ZINC000005694276 570813552 /nfs/dbraw/zinc/81/35/52/570813552.db2.gz ZAHHAEBWDDNXNA-SELVFMLMSA-N 0 0 394.534 5.568 50 10 GKCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/N(Cc1ccccc1)c1ccccc1 ZINC000101141667 570815800 /nfs/dbraw/zinc/81/58/00/570815800.db2.gz RUWAEIPPMKLMSC-XIEYBQDHSA-N 0 0 395.506 5.617 50 10 GKCARN O=C(N[C@@H](c1ccccc1Cl)c1ccc2cccnc2c1O)c1ccccc1 ZINC000001219060 570817345 /nfs/dbraw/zinc/81/73/45/570817345.db2.gz GPLKKGFSUQUXNI-NRFANRHFSA-N 0 0 388.854 5.113 50 10 GKCARN FC(F)(F)c1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@H]21 ZINC000012468922 570820523 /nfs/dbraw/zinc/82/05/23/570820523.db2.gz LGCZLAYBUUQHRC-CZIZLABSSA-N 0 0 384.228 6.839 50 10 GKCARN FC(F)(F)c1ccccc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@@H]2C=CC[C@H]21 ZINC000012469384 570820594 /nfs/dbraw/zinc/82/05/94/570820594.db2.gz RMSFNPMEZBGVFQ-SEDUGSJDSA-N 0 0 384.228 6.839 50 10 GKCARN O=C(NCc1ccccc1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000032801851 570820734 /nfs/dbraw/zinc/82/07/34/570820734.db2.gz PGZARYGTWBHQEF-XMMPIXPASA-N 0 0 382.463 5.134 50 10 GKCARN COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 ZINC000004676604 570823191 /nfs/dbraw/zinc/82/31/91/570823191.db2.gz LSGBAOYLKDLXLX-SQGPQFPESA-N 0 0 398.300 5.371 50 10 GKCARN CN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)c2ccccc21 ZINC000004517100 570833120 /nfs/dbraw/zinc/83/31/20/570833120.db2.gz SGZLTZMGMUSBAK-HAVVHWLPSA-N 0 0 394.474 5.237 50 10 GKCARN CN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c2ccccc21 ZINC000004517052 570833209 /nfs/dbraw/zinc/83/32/09/570833209.db2.gz XKRMGSWLFFSGQJ-HYARGMPZSA-N 0 0 382.438 5.346 50 10 GKCARN FC(F)(F)c1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@@H]21 ZINC000004689494 570834776 /nfs/dbraw/zinc/83/47/76/570834776.db2.gz LGCZLAYBUUQHRC-PSVSLLHZSA-N 0 0 384.228 6.839 50 10 GKCARN O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)ccc1Cl ZINC000004689407 570834815 /nfs/dbraw/zinc/83/48/15/570834815.db2.gz FLOCAIFEUXAXLG-JKDFXYPNSA-N 0 0 395.673 6.382 50 10 GKCARN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(Br)o3)SC2=S)c1 ZINC000004700556 570853855 /nfs/dbraw/zinc/85/38/55/570853855.db2.gz MYPZTRDQDAPXLE-JYRVWZFOSA-N 0 0 394.315 5.065 50 10 GKCARN Cc1ccc(Nc2cc(NCC(C)C)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000004707940 570854838 /nfs/dbraw/zinc/85/48/38/570854838.db2.gz PEFCZYKOEDUJNI-UHFFFAOYSA-N 0 0 397.478 6.159 50 10 GKCARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(C)ccc2O)N3)C1 ZINC000004545705 570856481 /nfs/dbraw/zinc/85/64/81/570856481.db2.gz PFSHCDSBWOLMPU-ORAYPTAESA-N 0 0 384.545 5.732 50 10 GKCARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(C)ccc2O)N3)C1 ZINC000004545702 570856537 /nfs/dbraw/zinc/85/65/37/570856537.db2.gz PFSHCDSBWOLMPU-YJYMSZOUSA-N 0 0 384.545 5.732 50 10 GKCARN Cc1noc2c1[C@H](c1ccc(O)c(O)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000102718497 570860427 /nfs/dbraw/zinc/86/04/27/570860427.db2.gz QMANCMSIVKVTBV-VFNWGFHPSA-N 0 0 388.423 5.002 50 10 GKCARN COc1ccc(Cl)cc1-n1c(C)cc(C(=O)NC2CCCCCCC2)c1C ZINC000003362521 570861773 /nfs/dbraw/zinc/86/17/73/570861773.db2.gz AXECKMWUSXOVSI-UHFFFAOYSA-N 0 0 388.939 5.599 50 10 GKCARN CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000044085641 570862189 /nfs/dbraw/zinc/86/21/89/570862189.db2.gz NDCJZXWGYOGYTR-UHFFFAOYSA-N 0 0 385.920 5.263 50 10 GKCARN CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000044085643 570862202 /nfs/dbraw/zinc/86/22/02/570862202.db2.gz DYKTUTFVEPTAGZ-UHFFFAOYSA-N 0 0 385.920 5.263 50 10 GKCARN O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1c1cccc(Cl)c1 ZINC000015011432 570871409 /nfs/dbraw/zinc/87/14/09/570871409.db2.gz YSZMKZDLMQKTRH-RIYZIHGNSA-N 0 0 399.846 5.765 50 10 GKCARN CCCCCCN1C(=O)C(=CNc2ccc(CCCC)cc2)SC1=S ZINC000102985203 570872700 /nfs/dbraw/zinc/87/27/00/570872700.db2.gz ZMTVLVZGEDGBLQ-SDXDJHTJSA-N 0 0 376.591 5.723 50 10 GKCARN COc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)c1O ZINC000003647366 570880302 /nfs/dbraw/zinc/88/03/02/570880302.db2.gz GOIOWHBGPGYAEY-BBATYDOGSA-N 0 0 386.517 5.042 50 10 GKCARN CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000003768842 570883566 /nfs/dbraw/zinc/88/35/66/570883566.db2.gz UHKPCFWTFYWIAB-UOEVCUDDSA-N 0 0 397.565 5.887 50 10 GKCARN CC[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000003769330 570883731 /nfs/dbraw/zinc/88/37/31/570883731.db2.gz QBOBAIFBUATQLS-RBYWHNRPSA-N 0 0 397.565 5.887 50 10 GKCARN CCCCCC[C@@]1(C)N=C(c2ccc3c(c2)OCO3)C[C@H](c2ccccc2O)N1 ZINC000004729869 570884721 /nfs/dbraw/zinc/88/47/21/570884721.db2.gz POIOLPVZKOAMKS-YKSBVNFPSA-N 0 0 394.515 5.331 50 10 GKCARN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(C)cc1 ZINC000103546178 570886547 /nfs/dbraw/zinc/88/65/47/570886547.db2.gz KQCJHZQJMDBJIZ-HMMYKYKNSA-N 0 0 390.512 5.494 50 10 GKCARN O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000097094348 570891460 /nfs/dbraw/zinc/89/14/60/570891460.db2.gz AWZKFXQEPDIZAC-CQSZACIVSA-N 0 0 376.382 5.908 50 10 GKCARN CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)c(OCC)c1 ZINC000016193181 570917133 /nfs/dbraw/zinc/91/71/33/570917133.db2.gz DXZYGIYPTALYRJ-UNOMPAQXSA-N 0 0 399.537 5.198 50 10 GKCARN O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1cccc2ccccc12 ZINC000002075715 570932361 /nfs/dbraw/zinc/93/23/61/570932361.db2.gz YLPFDFVCOVAFEJ-ATVHPVEESA-N 0 0 377.237 5.584 50 10 GKCARN Cc1cccc(N=Nc2ccc(NN=C3C(=O)C=Cc4ccccc43)cc2C)c1 ZINC000018022178 570950000 /nfs/dbraw/zinc/95/00/00/570950000.db2.gz NHXXLZBKTKNTEF-NBHCHVEOSA-N 0 0 380.451 7.993 50 10 GKCARN CCOc1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 ZINC000002123413 570956717 /nfs/dbraw/zinc/95/67/17/570956717.db2.gz SIGXLIKTYPSUAM-UHFFFAOYSA-N 0 0 399.446 5.215 50 10 biogenic GKCARN CC1CCN(c2cc(Br)c3noc4c3c2C(=O)c2ccccc2-4)CC1 ZINC000004744372 570959911 /nfs/dbraw/zinc/95/99/11/570959911.db2.gz NHNFTKMGJDPADY-UHFFFAOYSA-N 0 0 397.272 5.038 50 10 GKCARN C[C@@]1(c2cc(Cl)ccc2O)Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000106937333 570969506 /nfs/dbraw/zinc/96/95/06/570969506.db2.gz XPERUDAQGPMSMO-OFNKIYASSA-N 0 0 390.870 5.462 50 10 GKCARN COc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)N=C2c2ccccc2)cc1 ZINC000004772648 570978397 /nfs/dbraw/zinc/97/83/97/570978397.db2.gz IFPHYNOPJVGPEM-QNGOZBTKSA-N 0 0 388.854 5.183 50 10 GKCARN CCN(CC)c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000002164721 570982885 /nfs/dbraw/zinc/98/28/85/570982885.db2.gz VEZYCNLRESYQBX-LDADJPATSA-N 0 0 386.904 5.427 50 10 GKCARN Cc1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)cc1C ZINC000001416336 570992014 /nfs/dbraw/zinc/99/20/14/570992014.db2.gz LBKDPXQKYUNWIJ-ODLFYWEKSA-N 0 0 378.522 5.201 50 10 GKCARN O=C1S/C(=C\C(Br)=C/c2ccccc2)C(=O)N1c1ccccc1 ZINC000033347438 570992278 /nfs/dbraw/zinc/99/22/78/570992278.db2.gz UJNIIAHLSNUVSF-YUTYINLDSA-N 0 0 386.270 5.206 50 10 GKCARN CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@H](c1c(O)ccc3ccccc31)N2 ZINC000002185916 570993860 /nfs/dbraw/zinc/99/38/60/570993860.db2.gz RFLGCBBDVBVELM-HSZRJFAPSA-N 0 0 375.512 6.644 50 10 GKCARN CC(C)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S ZINC000004805322 570995753 /nfs/dbraw/zinc/99/57/53/570995753.db2.gz QQHFCKJYZVHMTH-OVCLIPMQSA-N 0 0 398.336 5.863 50 10 GKCARN CCc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000004729469 570997988 /nfs/dbraw/zinc/99/79/88/570997988.db2.gz LCDMTSIDQOBTKV-ISKFKSNPSA-N 0 0 390.914 5.831 50 10 GKCARN O=C1c2ccccc2C(=O)c2c(N=NN(O)c3ccccc3)ccc(Cl)c21 ZINC000252604153 571006750 /nfs/dbraw/zinc/00/67/50/571006750.db2.gz FXKGQEAOKLFWON-UHFFFAOYSA-N 0 0 377.787 5.010 50 10 GKCARN Clc1ccc(/N=N/c2[nH]c3ccccc3c2/N=N/c2ccc(Cl)cc2)cc1 ZINC000018197889 210216140 /nfs/dbraw/zinc/21/61/40/210216140.db2.gz BXAHNANHOYUSGP-OWUYFMIJSA-N 0 0 394.265 8.306 50 10 GKCARN CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O ZINC000016267498 210186784 /nfs/dbraw/zinc/18/67/84/210186784.db2.gz ZYJOJWIYLOUXIG-SXGWCWSVSA-N 0 0 393.892 5.284 50 10 GKCARN Cc1cc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccc(F)cc1 ZINC000015728510 210164680 /nfs/dbraw/zinc/16/46/80/210164680.db2.gz MCEVKWNCPXCOLW-UHFFFAOYSA-N 0 0 395.522 5.001 50 10 GKCARN CCN1C(=O)/C(=C\C=C2/Sc3ccccc3N2c2ccccc2)SC1=S ZINC000013600770 210071296 /nfs/dbraw/zinc/07/12/96/210071296.db2.gz YYRUITGKXIRHJN-HUPOLGGESA-N 0 0 396.562 5.536 50 10 GKCARN O=C1/C(=C\c2c3ccccc3cc3ccccc32)SC(=S)N1c1cccnc1 ZINC000013042912 210050184 /nfs/dbraw/zinc/05/01/84/210050184.db2.gz KEMSEQYNNPDYLQ-FYJGNVAPSA-N 0 0 398.512 5.794 50 10 GKCARN COc1ccc(-c2ccc(/C=C3\SC(=S)N(C4CCCC4)C3=O)o2)cc1 ZINC000013073890 210048731 /nfs/dbraw/zinc/04/87/31/210048731.db2.gz IAOCKMXLVZWHIV-PDGQHHTCSA-N 0 0 385.510 5.099 50 10 GKCARN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000012468556 209962281 /nfs/dbraw/zinc/96/22/81/209962281.db2.gz UYJYAMYYKHLGAD-QFSBIZTOSA-N 0 0 395.673 6.382 50 10 GKCARN CC1=NN(c2cc(Cl)ccc2[N+](=O)[O-])C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 ZINC000012412727 209950766 /nfs/dbraw/zinc/95/07/66/209950766.db2.gz VOANQJKFSCUHHF-BOPFTXTBSA-N 0 0 397.862 5.352 50 10 GKCARN C[C@@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)NC3CCCC3)cc2)C1 ZINC000006782068 209686445 /nfs/dbraw/zinc/68/64/45/209686445.db2.gz MCZIUQPBIMOKMY-LJQANCHMSA-N 0 0 398.550 5.942 50 10 GKCARN O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000005945063 209622550 /nfs/dbraw/zinc/62/25/50/209622550.db2.gz KICUXGFMZIKVEK-PEBVRCNWSA-N 0 0 395.673 6.382 50 10 GKCARN CN(C)c1ccc2c(c1Oc1ccc(C(C)(C)C)cc1)C(=O)c1ccccc1C2=O ZINC000004981514 209554298 /nfs/dbraw/zinc/55/42/98/209554298.db2.gz FFZSSHPEBOWEQK-UHFFFAOYSA-N 0 0 399.490 5.618 50 10 GKCARN FC(F)(F)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21 ZINC000004623276 209503953 /nfs/dbraw/zinc/50/39/53/209503953.db2.gz RKJGPCAFAAFUHB-PRXAMGSTSA-N 0 0 384.228 6.839 50 10 GKCARN COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Cl ZINC000002961738 209401688 /nfs/dbraw/zinc/40/16/88/209401688.db2.gz KTJKQRDQNKZQED-NTEUORMPSA-N 0 0 396.320 5.408 50 10 GKCARN COc1ccc(NC(=O)c2c(NCc3cccs3)sc3c2CCCC3)cc1 ZINC000002909459 209396531 /nfs/dbraw/zinc/39/65/31/209396531.db2.gz RDUALEWIOLULLY-UHFFFAOYSA-N 0 0 398.553 5.561 50 10 GKCARN CCOc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)cc1 ZINC000002682740 209376479 /nfs/dbraw/zinc/37/64/79/209376479.db2.gz WSYWFLYCGLLHGB-UYRXBGFRSA-N 0 0 383.538 5.615 50 10 GKCARN CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(-c3ccccc3F)c2C)cc1 ZINC000002648836 209375536 /nfs/dbraw/zinc/37/55/36/209375536.db2.gz MGZWLXSSVYYBCV-UHFFFAOYSA-N 0 0 396.487 5.167 50 10 GKCARN COC(=O)c1sc2nc3c(c(-c4ccc(Cl)cc4)c2c1N)CCCCC3 ZINC000002377274 209360474 /nfs/dbraw/zinc/36/04/74/209360474.db2.gz PFCUMIKGFALJOD-UHFFFAOYSA-N 0 0 386.904 5.254 50 10 GKCARN CNc1cc(Nc2ccc(Cl)cc2)c2c3c1noc3-c1ccccc1C2=O ZINC000002278211 209354793 /nfs/dbraw/zinc/35/47/93/209354793.db2.gz MGQLQEIUNSEWRG-UHFFFAOYSA-N 0 0 375.815 5.478 50 10 GKCARN CC1(C)Cc2c(cc(-c3ccccc3)n2-c2ccc(Cl)c(Cl)c2)C(=O)C1 ZINC000002186823 209349086 /nfs/dbraw/zinc/34/90/86/209349086.db2.gz MOGXQBLBXYJRHW-UHFFFAOYSA-N 0 0 384.306 6.606 50 10 biogenic GKCARN Oc1ccc(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000002160105 209348841 /nfs/dbraw/zinc/34/88/41/209348841.db2.gz XNENJVXBHRSAJN-UHFFFAOYSA-N 0 0 389.882 6.390 50 10 GKCARN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1 ZINC000001888252 209341894 /nfs/dbraw/zinc/34/18/94/209341894.db2.gz LXYAQLBWSBBIRR-XMHGGMMESA-N 0 0 382.554 5.247 50 10 GKCARN Cc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1C ZINC000001822303 209339552 /nfs/dbraw/zinc/33/95/52/209339552.db2.gz ZSEJCEVIWOMSEZ-NXLLQJLMSA-N 0 0 396.493 5.174 50 10 GKCARN Cc1cc(C)c(NC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)c(Cl)c1 ZINC000001777584 209339122 /nfs/dbraw/zinc/33/91/22/209339122.db2.gz MSIYBYKUDJQDSV-UHFFFAOYSA-N 0 0 391.854 5.275 50 10 GKCARN CCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S ZINC000001254156 209317371 /nfs/dbraw/zinc/31/73/71/209317371.db2.gz HMFUGTZPBRAGHD-ZSOIEALJSA-N 0 0 384.309 5.475 50 10 GKCARN CSc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1 ZINC000001171679 209310164 /nfs/dbraw/zinc/31/01/64/209310164.db2.gz HXUCONQSWLUJMR-OAQYLSRUSA-N 0 0 387.508 5.567 50 10 GKCARN Cc1ccc(-c2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)o2)cc1 ZINC000000973319 209285069 /nfs/dbraw/zinc/28/50/69/209285069.db2.gz SAXRFDFXQVQGHZ-DEDYPNTBSA-N 0 0 391.517 5.656 50 10 GKCARN COc1ccc(N2C(=O)/C(=C/c3cccc(C(F)(F)F)c3)SC2=S)cc1 ZINC000000970597 209284895 /nfs/dbraw/zinc/28/48/95/209284895.db2.gz BNELFRJNZJTKTI-GDNBJRDFSA-N 0 0 395.427 5.120 50 10 GKCARN COc1ccccc1C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000000943239 209282686 /nfs/dbraw/zinc/28/26/86/209282686.db2.gz QEGFNJKRANLPDR-DEOSSOPVSA-N 0 0 383.447 5.073 50 10 GKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1c1cccnc1 ZINC000096663477 209241558 /nfs/dbraw/zinc/24/15/58/209241558.db2.gz PPXKOBUFYRRHOG-LICLKQGHSA-N 0 0 398.896 5.401 50 10 GKCARN CN(C)c1cc(Nc2ccc(Cl)cc2)c2c3c1noc3-c1ccccc1C2=O ZINC000002063821 212262722 /nfs/dbraw/zinc/26/27/22/212262722.db2.gz SGNPMEWIXYAVND-UHFFFAOYSA-N 0 0 389.842 5.502 50 10 GKCARN COc1cccc(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)c1 ZINC000001806683 212257524 /nfs/dbraw/zinc/25/75/24/212257524.db2.gz CKFGKCPXCQKLSI-UNOMPAQXSA-N 0 0 377.490 5.254 50 10 GKCARN FC(F)(F)c1ccccc1[C@@H]1Nc2c(Cl)c(Cl)ccc2[C@@H]2C=CC[C@@H]21 ZINC000059267056 209213075 /nfs/dbraw/zinc/21/30/75/209213075.db2.gz QYSMKNMMLMUFOC-VGTOOOLASA-N 0 0 384.228 6.839 50 10 GKCARN Cc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000001416324 212243227 /nfs/dbraw/zinc/24/32/27/212243227.db2.gz AIILBXWJIXPERZ-XNTDXEJSSA-N 0 0 390.327 5.163 50 10 GKCARN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1 ZINC000001299609 212234055 /nfs/dbraw/zinc/23/40/55/212234055.db2.gz NSIKMWFEJVYWHD-WJDWOHSUSA-N 0 0 375.902 5.145 50 10 GKCARN COc1cccc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc32)c1 ZINC000001170127 212225483 /nfs/dbraw/zinc/22/54/83/212225483.db2.gz LEJAAHYFLBUKNT-XMMPIXPASA-N 0 0 383.447 5.073 50 10 GKCARN O=C(c1ccccc1)c1cc(Cl)ccc1NC(=S)NCc1ccccc1 ZINC000001148259 212223285 /nfs/dbraw/zinc/22/32/85/212223285.db2.gz PHDVTFLPIMPTNZ-UHFFFAOYSA-N 0 0 380.900 5.058 50 10 GKCARN COc1cc(NC(=O)Nc2ccc(Cl)cc2)c(-n2c(C)ccc2C)cc1OC ZINC000001027594 212207473 /nfs/dbraw/zinc/20/74/73/212207473.db2.gz JTOSSLKTEZHRRA-UHFFFAOYSA-N 0 0 399.878 5.409 50 10 GKCARN O=C1/C(=C/c2ccc(C(F)(F)F)cc2)SC(=S)N1Cc1ccccc1 ZINC000000987471 212202895 /nfs/dbraw/zinc/20/28/95/212202895.db2.gz RSVKGGZPSJTNRZ-GDNBJRDFSA-N 0 0 379.428 5.107 50 10 GKCARN Cc1ccccc1OCC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000000943245 212197117 /nfs/dbraw/zinc/19/71/17/212197117.db2.gz GLHCJQIWLUMVEM-SANMLTNESA-N 0 0 397.474 5.138 50 10 GKCARN CCC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cc(Cl)c2cccnc2c1O ZINC000000869288 212191288 /nfs/dbraw/zinc/19/12/88/212191288.db2.gz PJHRKAKKWFGBEA-FQEVSTJZSA-N 0 0 382.891 5.333 50 10 GKCARN CC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1cc(Cl)c2cccnc2c1O ZINC000000869269 212191185 /nfs/dbraw/zinc/19/11/85/212191185.db2.gz DUICHCGSDFOJKH-MRXNPFEDSA-N 0 0 395.673 5.126 50 10 GKCARN CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000000830277 212187473 /nfs/dbraw/zinc/18/74/73/212187473.db2.gz OGNWNODEOFEKSY-LRDNONRASA-N 0 0 388.294 5.997 50 10 GKCARN Cc1ccc([C@H](NC(=O)CCc2ccccc2)c2ccc3cccnc3c2O)cc1 ZINC000000801018 212182315 /nfs/dbraw/zinc/18/23/15/212182315.db2.gz NTOMTWHLAMHYRJ-DEOSSOPVSA-N 0 0 396.490 5.087 50 10 GKCARN Nc1on2c(-c3ccc(Br)cc3)cnc2c1/N=N/c1ccccc1 ZINC000101647041 212069113 /nfs/dbraw/zinc/06/91/13/212069113.db2.gz ZXTOOEZZBDMHGF-QURGRASLSA-N 0 0 382.221 5.354 50 10 GKCARN O=C1N(Cc2ccccc2F)c2ccccc2C12Nc1cccc3cccc(c31)N2 ZINC000049947085 212056783 /nfs/dbraw/zinc/05/67/83/212056783.db2.gz QNHDADNZVDVLNU-UHFFFAOYSA-N 0 0 395.437 5.216 50 10 GKCARN COc1ccc2c(c1)S[C@H](c1ccccc1OC)CCN2Cc1ccoc1 ZINC000299780067 212037171 /nfs/dbraw/zinc/03/71/71/212037171.db2.gz QQHVVTCBXQFXMY-NRFANRHFSA-N 0 0 381.497 5.541 50 10 GKCARN O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)SC(=S)N1c1ccccc1 ZINC000000983904 203870623 /nfs/dbraw/zinc/87/06/23/203870623.db2.gz RYDLPHGSZZRKCE-PDGQHHTCSA-N 0 0 397.908 6.006 50 10 GKCARN COc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O ZINC000001159781 203891222 /nfs/dbraw/zinc/89/12/22/203891222.db2.gz QPGPEAIIWMQVRF-YBEGLDIGSA-N 0 0 375.902 5.063 50 10 GKCARN Clc1ccc2c(c1Cl)N[C@@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 ZINC000002056642 203924859 /nfs/dbraw/zinc/92/48/59/203924859.db2.gz CXKQYUCLXMIULC-AHIWAGSCSA-N 0 0 395.127 6.582 50 10 GKCARN CCOC(=O)c1ccc(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)cc1 ZINC000002273660 203934738 /nfs/dbraw/zinc/93/47/38/203934738.db2.gz OTJPJABPMDRCJV-JOCHJYFZSA-N 0 0 398.462 5.319 50 10 GKCARN CCCCc1ccc(Nc2ccc3ncnc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000003067599 203985048 /nfs/dbraw/zinc/98/50/48/203985048.db2.gz ZZTZLMNLTROZLV-UHFFFAOYSA-N 0 0 379.463 5.927 50 10 GKCARN CSc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1 ZINC000002470442 203947239 /nfs/dbraw/zinc/94/72/39/203947239.db2.gz DUXHQNXWPVCNNT-NRFANRHFSA-N 0 0 387.508 5.567 50 10 GKCARN O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccco1 ZINC000004363657 204042052 /nfs/dbraw/zinc/04/20/52/204042052.db2.gz NKNBANVXGBISTD-UHFFFAOYSA-N 0 0 389.414 5.935 50 10 GKCARN O=C(COc1ccc(C2Nc3cccc4cccc(c43)N2)cc1)Nc1ccccc1 ZINC000003641609 204016237 /nfs/dbraw/zinc/01/62/37/204016237.db2.gz QTVUMLJYGGXGGI-UHFFFAOYSA-N 0 0 395.462 5.394 50 10 GKCARN COP(=O)(OC)[C@@H](Nc1ccc(C(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000003652988 204017297 /nfs/dbraw/zinc/01/72/97/204017297.db2.gz FBQRHOPRVAIGFK-HXUWFJFHSA-N 0 0 376.437 5.473 50 10 GKCARN Brc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@H]32)cc1 ZINC000003880309 204021516 /nfs/dbraw/zinc/02/15/16/204021516.db2.gz YWQSTBRRGMJSAA-JQVVWYNYSA-N 0 0 376.297 6.429 50 10 GKCARN CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1C2=O ZINC000003861477 204021746 /nfs/dbraw/zinc/02/17/46/204021746.db2.gz RHGBRYSELHPAFL-UHFFFAOYSA-N 0 0 378.516 5.666 50 10 GKCARN COc1ccc2c3ccc(OC/C=C(\C)CCC=C(C)C)c(C)c3oc(=O)c2c1 ZINC000004028912 204024464 /nfs/dbraw/zinc/02/44/64/204024464.db2.gz AMFXLGCHDVIPPJ-GHRIWEEISA-N 0 0 392.495 6.335 50 10 biogenic GKCARN CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)c2ccccc2)cc1 ZINC000004043752 204025219 /nfs/dbraw/zinc/02/52/19/204025219.db2.gz AUGAHJYYTWLNHK-OCOZRVBESA-N 0 0 387.439 5.208 50 10 GKCARN COC(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 ZINC000004162405 204030299 /nfs/dbraw/zinc/03/02/99/204030299.db2.gz JZVFWTCSLRHXSS-RLFYNMQTSA-N 0 0 384.273 5.062 50 10 GKCARN O=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(=S)N1c1ccccc1 ZINC000004693008 204064981 /nfs/dbraw/zinc/06/49/81/204064981.db2.gz UVYXYILUAPXGIR-HMMYKYKNSA-N 0 0 389.501 5.885 50 10 GKCARN CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000004844839 204082097 /nfs/dbraw/zinc/08/20/97/204082097.db2.gz UWUHWCGACIAOIT-KNKQGSTJSA-N 0 0 392.455 5.234 50 10 GKCARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000004854140 204083200 /nfs/dbraw/zinc/08/32/00/204083200.db2.gz YKVWVXBPVGBHDJ-UKILVPOCSA-N 0 0 399.494 5.004 50 10 GKCARN Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000004501467 204048952 /nfs/dbraw/zinc/04/89/52/204048952.db2.gz RBTZKNTVSHUSBV-VCBZYWHSSA-N 0 0 385.261 5.492 50 10 GKCARN COC(=O)c1ccc2c(c1C)N[C@H](c1ccccc1Br)[C@H]1CC=C[C@H]21 ZINC000004675315 204061671 /nfs/dbraw/zinc/06/16/71/204061671.db2.gz IFRPNXOAMBTASB-AVYPCKFXSA-N 0 0 398.300 5.371 50 10 GKCARN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 ZINC000004675275 204062444 /nfs/dbraw/zinc/06/24/44/204062444.db2.gz IBCGZVVQLBSIAJ-BIENJYKASA-N 0 0 399.288 5.801 50 10 GKCARN Cc1cccc(N[C@@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2O)n1 ZINC000005102329 204111678 /nfs/dbraw/zinc/11/16/78/204111678.db2.gz ALVSIURCXDRPIW-FQEVSTJZSA-N 0 0 375.859 5.499 50 10 GKCARN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S ZINC000005171770 204117070 /nfs/dbraw/zinc/11/70/70/204117070.db2.gz LGJSXMWLKWMJSV-GZTJUZNOSA-N 0 0 389.929 5.140 50 10 GKCARN CCCCC(=O)N[C@H](c1ccc(C)cc1)c1cc(Cl)c2cccnc2c1O ZINC000004959836 204096987 /nfs/dbraw/zinc/09/69/87/204096987.db2.gz ICCASRDXJRTDIJ-HXUWFJFHSA-N 0 0 382.891 5.298 50 10 GKCARN CCCCCCN1C(=O)C(=CNc2ccc(CCCC)cc2)SC1=S ZINC000005021804 204103296 /nfs/dbraw/zinc/10/32/96/204103296.db2.gz ZMTVLVZGEDGBLQ-OBGWFSINSA-N 0 0 376.591 5.723 50 10 GKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S ZINC000005050199 204106650 /nfs/dbraw/zinc/10/66/50/204106650.db2.gz SQNOBOMKOZLJSM-UJFYRASASA-N 0 0 394.348 5.956 50 10 GKCARN CCCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000005090868 204109410 /nfs/dbraw/zinc/10/94/10/204109410.db2.gz LTFMDQOLBAUGDX-DXIQSLLYSA-N 0 0 392.455 5.378 50 10 GKCARN O=C1/C(=C\c2ccc(-c3ccccc3)cc2)SC(=S)N1Cc1ccccc1 ZINC000005736718 204148950 /nfs/dbraw/zinc/14/89/50/204148950.db2.gz BCPGUXCOUQJRLG-RCCKNPSSSA-N 0 0 387.529 5.755 50 10 GKCARN CCCCCCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)SC1=S ZINC000005502029 204136010 /nfs/dbraw/zinc/13/60/10/204136010.db2.gz HIYIUJZUHBWSST-OBGWFSINSA-N 0 0 376.591 5.314 50 10 GKCARN O=C1C=Cc2ccccc2C1=NNc1c(Oc2ccccc2)ccc2ccccc21 ZINC000005485085 204136228 /nfs/dbraw/zinc/13/62/28/204136228.db2.gz BKLOIASTYGUTRB-BYYHNAKLSA-N 0 0 390.442 7.906 50 10 GKCARN CN(C)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000005569769 204140830 /nfs/dbraw/zinc/14/08/30/204140830.db2.gz HQCKEOFGWSJNCL-UGKGYDQZSA-N 0 0 393.874 5.241 50 10 GKCARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(N(C)C)cc2)N3)C1 ZINC000006386335 204176746 /nfs/dbraw/zinc/17/67/46/204176746.db2.gz HYWXGRSBSCPSNW-MGPUTAFESA-N 0 0 397.588 5.784 50 10 GKCARN COc1ccccc1NC(=O)NCc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000009228578 204302560 /nfs/dbraw/zinc/30/25/60/204302560.db2.gz JWQYIPWXSMRIMN-UHFFFAOYSA-N 0 0 383.879 5.078 50 10 GKCARN CCOc1ccc(NC(=O)NCc2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000009228801 204303099 /nfs/dbraw/zinc/30/30/99/204303099.db2.gz CNBWTJDTNNOZEZ-UHFFFAOYSA-N 0 0 397.906 5.468 50 10 GKCARN COc1ccccc1NC(=O)NCc1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000009228784 204303384 /nfs/dbraw/zinc/30/33/84/204303384.db2.gz RDSQZJIWDQFPCW-UHFFFAOYSA-N 0 0 383.879 5.078 50 10 GKCARN Cc1cc(CNC(=O)Nc2ccc(C)c(F)c2)c(C)n1-c1cccc(Cl)c1 ZINC000009228809 204303467 /nfs/dbraw/zinc/30/34/67/204303467.db2.gz FIXKKETYPUSCRO-UHFFFAOYSA-N 0 0 385.870 5.517 50 10 GKCARN COc1ccc(C)cc1NC(=O)NCc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000009228606 204303581 /nfs/dbraw/zinc/30/35/81/204303581.db2.gz GHDRXYMYKKYVPM-UHFFFAOYSA-N 0 0 397.906 5.386 50 10 GKCARN COc1ccc2c(c1)S[C@@H](c1cccc(F)c1)CCN2Cc1cccc(C)n1 ZINC000012150789 204376878 /nfs/dbraw/zinc/37/68/78/204376878.db2.gz BUNNSVRHQTZRIN-JOCHJYFZSA-N 0 0 394.515 5.781 50 10 GKCARN COc1ccc2c(c1)S[C@H](c1ccccc1F)CCN2Cc1c[nH]c(C)n1 ZINC000012246498 204386877 /nfs/dbraw/zinc/38/68/77/204386877.db2.gz PRRQYLOIEKNIGA-FQEVSTJZSA-N 0 0 383.492 5.110 50 10 GKCARN CC(=O)c1ccc(N=Nc2cc3c(cc2C)N(CCO)C(C)(C)C[C@@H]3C)cc1 ZINC000018060807 204615162 /nfs/dbraw/zinc/61/51/62/204615162.db2.gz PAKKTQQUDSXPRF-UPCARPLXSA-N 0 0 379.504 5.698 50 10 GKCARN COc1ccc(Cl)cc1/N=N/c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000018193678 204618347 /nfs/dbraw/zinc/61/83/47/204618347.db2.gz XDIKJIXQIZNUKE-CYYJNZCTSA-N 0 0 388.858 6.821 50 10 GKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2C)SC1=S ZINC000016733506 204598560 /nfs/dbraw/zinc/59/85/60/204598560.db2.gz CLKPZNNXHBGZBL-DYDKSKQESA-N 0 0 393.533 5.356 50 10 GKCARN CCCC[NH+](CCCC)Cc1c([O-])ccc2c(=O)c(-c3ccccc3)coc21 ZINC000019791531 204684981 /nfs/dbraw/zinc/68/49/81/204684981.db2.gz OAMWVTCYVARHIB-UHFFFAOYSA-N 0 0 379.500 5.568 50 10 GKCARN Cc1cc(C(=O)C(=O)Nc2cccc(F)c2C)c(C)n1-c1cccc(Cl)c1 ZINC000041107828 205077294 /nfs/dbraw/zinc/07/72/94/205077294.db2.gz WVUUJVGJWAFLOK-UHFFFAOYSA-N 0 0 384.838 5.016 50 10 GKCARN COc1ccc([C@@H]2N=C(c3ccc(Cl)cc3)C[C@@H](c3ccccc3O)N2)cc1 ZINC000053363465 205136188 /nfs/dbraw/zinc/13/61/88/205136188.db2.gz YTMUYFSGXJPTPW-JTHBVZDNSA-N 0 0 392.886 5.277 50 10 GKCARN COc1ccc(C2=N[C@@H](c3cccc(Cl)c3)N[C@H](c3ccccc3O)C2)cc1 ZINC000053364847 205136655 /nfs/dbraw/zinc/13/66/55/205136655.db2.gz GYKOZKDUXZVEGM-JTHBVZDNSA-N 0 0 392.886 5.277 50 10 GKCARN COc1ccccc1[C@H]1N=C(c2ccc(Cl)cc2)C[C@H](c2ccccc2O)N1 ZINC000053363441 205137118 /nfs/dbraw/zinc/13/71/18/205137118.db2.gz QXRSZGXVBKXVKP-OFNKIYASSA-N 0 0 392.886 5.277 50 10 GKCARN Cc1cccc(NCN2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)c1 ZINC000003060265 209118301 /nfs/dbraw/zinc/11/83/01/209118301.db2.gz HDYPXTUOJZMWKD-UNOMPAQXSA-N 0 0 382.554 5.389 50 10 GKCARN O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@H]32)cc1 ZINC000229993488 206110336 /nfs/dbraw/zinc/11/03/36/206110336.db2.gz WEMYZEARRRTUNJ-XNJGSVPQSA-N 0 0 394.780 6.094 50 10 GKCARN COc1ccc2c(c1)S[C@@H](c1ccccc1OC)CCN2Cc1ccoc1 ZINC000299780077 206189828 /nfs/dbraw/zinc/18/98/28/206189828.db2.gz QQHVVTCBXQFXMY-OAQYLSRUSA-N 0 0 381.497 5.541 50 10 GKCARN Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000169617094 211637317 /nfs/dbraw/zinc/63/73/17/211637317.db2.gz BIORLBXGJKUVSB-AGKHESDQSA-N 0 0 385.121 7.127 50 10 GKCARN O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H]([C@@H]1CC=CCC1)[C@@H]1CC=C[C@H]21 ZINC000245238628 206281829 /nfs/dbraw/zinc/28/18/29/206281829.db2.gz WYWUKAZFKPOTPP-YPHICONVSA-N 0 0 389.926 6.381 50 10 GKCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c2ccccc2cc2ccccc21 ZINC000004526274 211548972 /nfs/dbraw/zinc/54/89/72/211548972.db2.gz DORMTAUSRKVRPN-XYGWBWBKSA-N 0 0 390.486 6.416 50 10 GKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S ZINC000002677752 211516110 /nfs/dbraw/zinc/51/61/10/211516110.db2.gz ZZBNVOPKQBUKCP-KWPCUBQOSA-N 0 0 375.518 5.802 50 10 GKCARN CC[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)coc21 ZINC000019789594 206297242 /nfs/dbraw/zinc/29/72/42/206297242.db2.gz LBDVSYMOKHTHGD-QGZVFWFLSA-N 0 0 397.902 5.584 50 10 biogenic GKCARN COc1ccc(Br)cc1[C@H]1Nc2c(F)cc(F)cc2[C@H]2C=CC[C@H]21 ZINC000000639518 206311148 /nfs/dbraw/zinc/31/11/48/206311148.db2.gz DABIPKHAFYILJH-JCGVRSQUSA-N 0 0 392.243 5.562 50 10 GKCARN COC(=O)c1sc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2c1N ZINC000000705798 206317754 /nfs/dbraw/zinc/31/77/54/206317754.db2.gz CZYFTJYZPYRJDX-UHFFFAOYSA-N 0 0 384.457 5.200 50 10 GKCARN CN(C)c1ccc(-c2nc3cc(NC(=O)c4cc5ccccc5o4)ccc3o2)cc1 ZINC000000722580 206318716 /nfs/dbraw/zinc/31/87/16/206318716.db2.gz XGNPSDOEJHRFMB-UHFFFAOYSA-N 0 0 397.434 5.559 50 10 GKCARN O=C(CC1(Cc2ccc(Cl)cc2)C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000000755487 206320806 /nfs/dbraw/zinc/32/08/06/206320806.db2.gz AXXYPKDTTHLCKJ-UHFFFAOYSA-N 0 0 388.850 5.221 50 10 GKCARN COC(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000000871780 206331067 /nfs/dbraw/zinc/33/10/67/206331067.db2.gz JZVFWTCSLRHXSS-RVKKMQEKSA-N 0 0 384.273 5.062 50 10 GKCARN Cc1ccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C(C)C)c(Cl)c1 ZINC000001026801 206342215 /nfs/dbraw/zinc/34/22/15/206342215.db2.gz XAPGKTMRXPGQQM-UHFFFAOYSA-N 0 0 375.969 5.322 50 10 GKCARN CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000001308646 206371485 /nfs/dbraw/zinc/37/14/85/206371485.db2.gz RGQBGIHPXYKESQ-XDHOZWIPSA-N 0 0 399.537 5.117 50 10 GKCARN O=C1/C(=C\c2ccc(-c3ccccc3F)o2)SC(=S)N1Cc1ccco1 ZINC000010232896 206376121 /nfs/dbraw/zinc/37/61/21/206376121.db2.gz WHVDMIDHBHGWCM-LICLKQGHSA-N 0 0 385.441 5.080 50 10 GKCARN COc1ccc2c3ccc(OCc4ccc(F)cc4Cl)cc3oc(=O)c2c1 ZINC000001156137 206361341 /nfs/dbraw/zinc/36/13/41/206361341.db2.gz OFASOHFLYMUMEC-UHFFFAOYSA-N 0 0 384.790 5.326 50 10 GKCARN Cc1ccc(Sc2cc(Cl)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000001187484 206365060 /nfs/dbraw/zinc/36/50/60/206365060.db2.gz CDNYMGWEJXKRQL-UHFFFAOYSA-N 0 0 377.852 6.152 50 10 GKCARN COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c2ccccc12 ZINC000001201819 206366674 /nfs/dbraw/zinc/36/66/74/206366674.db2.gz RBYKJSUGXLEELL-DEDYPNTBSA-N 0 0 391.517 5.250 50 10 GKCARN Cc1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)c1C ZINC000001788090 206392195 /nfs/dbraw/zinc/39/21/95/206392195.db2.gz SJEILDAQIBMQNW-PXNMLYILSA-N 0 0 394.348 6.016 50 10 GKCARN CC(C)Oc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000002053356 206397277 /nfs/dbraw/zinc/39/72/77/206397277.db2.gz LUYPYYIJIQPBHR-HAVVHWLPSA-N 0 0 382.463 5.308 50 10 GKCARN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1cccc2ccccc12 ZINC000002075714 206397292 /nfs/dbraw/zinc/39/72/92/206397292.db2.gz YLPFDFVCOVAFEJ-SFQUDFHCSA-N 0 0 377.237 5.584 50 10 GKCARN Cc1nn(S(=O)(=O)c2ccc(C)cc2)c(C)c1/N=N/c1ccc(Cl)cc1 ZINC000004299682 206512887 /nfs/dbraw/zinc/51/28/87/206512887.db2.gz ZKMIHXSSMXEQLE-QZQOTICOSA-N 0 0 388.880 5.114 50 10 GKCARN O=C1c2ccccc2C(=O)C1=C1C[C@H](c2ccc(F)cc2)Nc2ccccc2N1 ZINC000102059602 211406358 /nfs/dbraw/zinc/40/63/58/211406358.db2.gz SYVNFHDDYYOMCJ-HXUWFJFHSA-N 0 0 384.410 5.151 50 10 GKCARN CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2cccnc2)c1C ZINC000100321423 211387493 /nfs/dbraw/zinc/38/74/93/211387493.db2.gz PCRLTIDIXZANKG-PXLXIMEGSA-N 0 0 384.483 5.075 50 10 GKCARN Cc1cc2n(n1)[C@@H](c1cc(C)n(-c3ccc(C)cc3C)c1C)Nc1ccc(C)cc1-2 ZINC000006613396 206658229 /nfs/dbraw/zinc/65/82/29/206658229.db2.gz AZXDMEMZQCQRIR-SANMLTNESA-N 0 0 396.538 6.164 50 10 GKCARN Cc1c(C=C2SC(=S)NC2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000015800196 207061848 /nfs/dbraw/zinc/06/18/48/207061848.db2.gz KTLFGHZGVUNJIN-ZDLGFXPLSA-N 0 0 398.940 5.140 50 10 GKCARN CCCCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000016212775 207074394 /nfs/dbraw/zinc/07/43/94/207074394.db2.gz WSGIMWIXIPQHKZ-ZHZULCJRSA-N 0 0 397.565 5.575 50 10 GKCARN COc1ccc2ccccc2c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000016675880 207076186 /nfs/dbraw/zinc/07/61/86/207076186.db2.gz HRGDBPVPHSBJMG-MOSHPQCFSA-N 0 0 391.517 5.250 50 10 GKCARN COc1cc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(OC)c1 ZINC000018193677 207094902 /nfs/dbraw/zinc/09/49/02/207094902.db2.gz PILZJCKEECHRES-CYYJNZCTSA-N 0 0 384.439 6.176 50 10 GKCARN C1=C[C@@H]2c3ccc4ccccc4c3N[C@@H](c3ccc(OC4CSC4)cc3)[C@@H]2C1 ZINC000019891421 207168605 /nfs/dbraw/zinc/16/86/05/207168605.db2.gz NABCRLYCYNWQGM-ZDXQCDESSA-N 0 0 385.532 6.161 50 10 GKCARN Cc1ccc(C2=N[C@@H](c3ccccc3Cl)N[C@@H](c3ccccc3O)C2)cc1 ZINC000020762874 207212959 /nfs/dbraw/zinc/21/29/59/207212959.db2.gz QSEFKOXYLBVSKL-FYYLOGMGSA-N 0 0 376.887 5.577 50 10 GKCARN Oc1ccc(Cl)cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(F)cc3)=NN21 ZINC000025572802 207304419 /nfs/dbraw/zinc/30/44/19/207304419.db2.gz PITRAGZEVXQZQG-SIKLNZKXSA-N 0 0 394.833 5.427 50 10 GKCARN CN(C)c1ccc(CN(C(=O)c2cccc3ccccc32)c2ccccn2)cc1 ZINC000028289151 207338822 /nfs/dbraw/zinc/33/88/22/207338822.db2.gz YUMJMVTVLIGWLJ-UHFFFAOYSA-N 0 0 381.479 5.148 50 10 GKCARN CCN(CC)c1ccc(CN(C(=O)c2ccccc2Cl)c2ccccn2)cc1 ZINC000028289435 207339005 /nfs/dbraw/zinc/33/90/05/207339005.db2.gz RRGRGQOZNUKQAO-UHFFFAOYSA-N 0 0 393.918 5.428 50 10 GKCARN C[C@H](c1ccccc1O)N(C)C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000089909755 208111470 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50 10 GKCARN Cc1cc(C)cc(Oc2coc3c(ccc([O-])c3C[NH+]3CCCCCC3)c2=O)c1 ZINC000019791889 210297745 /nfs/dbraw/zinc/29/77/45/210297745.db2.gz FTHHQKPPLNRMJA-UHFFFAOYSA-N 0 0 393.483 5.284 50 10 GKCARN CCc1cccc2c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c[nH]c21 ZINC000001155805 220479757 /nfs/dbraw/zinc/47/97/57/220479757.db2.gz XZNFCURQDAWOGJ-WOJGMQOQSA-N 0 0 378.522 5.132 50 10 GKCARN CCN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)SC1=S ZINC000002278944 220516900 /nfs/dbraw/zinc/51/69/00/220516900.db2.gz QZSZBBKFHOBBBE-ODLFYWEKSA-N 0 0 396.512 5.050 50 10 GKCARN Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 ZINC000004111630 220682827 /nfs/dbraw/zinc/68/28/27/220682827.db2.gz PATGJBRXGOWEMN-UYSIFFEZSA-N 0 0 388.236 5.143 50 10 aggregator GKCARN CN(C)c1ccc(C(c2ccc(OC(F)F)cc2)c2ccc(N(C)C)cc2)cc1 ZINC000004347711 220709895 /nfs/dbraw/zinc/70/98/95/220709895.db2.gz GMEILZRNMOQMAE-UHFFFAOYSA-N 0 0 396.481 5.600 50 10 GKCARN O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@@H]32)cc1 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/nfs/dbraw/zinc/08/51/96/221085196.db2.gz GNEPNCFJXHZQDH-GDNBJRDFSA-N 0 0 390.327 5.163 50 10 GKCARN COc1cccc2c1O[C@@H](c1sccc1C)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000010215847 221098876 /nfs/dbraw/zinc/09/88/76/221098876.db2.gz YZPNYGRCHNILRR-JTSKRJEESA-N 0 0 392.480 5.013 50 10 GKCARN CCN1c2ccc(C)cc2C=C/C1=C1/SC(=S)N(c2ccccc2)C1=O ZINC000012412099 221190652 /nfs/dbraw/zinc/19/06/52/221190652.db2.gz RCJHTUCHCFWPCF-HNENSFHCSA-N 0 0 378.522 5.125 50 10 GKCARN CCN(CC)c1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1 ZINC000013785357 221289826 /nfs/dbraw/zinc/28/98/26/221289826.db2.gz AKBGWCHTHGBVRW-UKEODDKASA-N 0 0 396.581 5.495 50 10 GKCARN O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1Cc1ccccc1 ZINC000013839788 221292449 /nfs/dbraw/zinc/29/24/49/221292449.db2.gz IOCHMOUOCLBYNW-OQLLNIDSSA-N 0 0 380.321 5.395 50 10 GKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1c2ccccc2n(C)c1-c1ccccc1 ZINC000016121464 221357792 /nfs/dbraw/zinc/35/77/92/221357792.db2.gz ANCOCEUNLWKQBY-XLNRJJMWSA-N 0 0 391.474 5.651 50 10 GKCARN CC(=O)c1c(F)cccc1NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000063248186 136156310 /nfs/dbraw/zinc/15/63/10/136156310.db2.gz RHHNFKBWAKXRNP-UHFFFAOYSA-N 0 0 396.384 5.008 50 10 GKCARN O=C(Nc1cccc(N2CCCCC2)c1)c1ccccc1C(=O)c1cccs1 ZINC000065844064 136164339 /nfs/dbraw/zinc/16/43/39/136164339.db2.gz CQISFRQVHNYYTN-UHFFFAOYSA-N 0 0 390.508 5.222 50 10 GKCARN Clc1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Cl)cc4c3N2C[C@@H]2CC=C[C@H]42)cc1 ZINC000102975356 136190559 /nfs/dbraw/zinc/19/05/59/136190559.db2.gz NEVXFPDVXYJQFC-REJRFELZSA-N 0 0 394.345 6.888 50 10 GKCARN Cc1ccc(-c2ccc(C(=S)N3CCN(c4ccccc4C)CC3)o2)cc1 ZINC000001471370 136193274 /nfs/dbraw/zinc/19/32/74/136193274.db2.gz MXYZOAMPSOGPIK-UHFFFAOYSA-N 0 0 376.525 5.061 50 10 GKCARN Cc1[nH]c2ccc(C)cc2c1/C=C1\C(=N)N2C(c3ccccc3)=CSC2=NC1=O ZINC000036081971 221840916 /nfs/dbraw/zinc/84/09/16/221840916.db2.gz GEMJWTDBVJQCBB-DSBLIHRRSA-N 0 0 398.491 5.089 50 10 GKCARN O=c1nc(CSc2nccs2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000052913998 222008459 /nfs/dbraw/zinc/00/84/59/222008459.db2.gz WQSKHJCSAJUALO-UHFFFAOYSA-N 0 0 391.930 5.054 50 10 GKCARN COc1cccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3O)C2)c1 ZINC000053363327 222009042 /nfs/dbraw/zinc/00/90/42/222009042.db2.gz YOIUINYSAOZIOF-FYYLOGMGSA-N 0 0 392.886 5.277 50 10 GKCARN COc1cccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3O)C2)c1 ZINC000053363332 222009354 /nfs/dbraw/zinc/00/93/54/222009354.db2.gz YOIUINYSAOZIOF-GMAHTHKFSA-N 0 0 392.886 5.277 50 10 GKCARN COc1cccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3O)C2)c1 ZINC000053363330 222009535 /nfs/dbraw/zinc/00/95/35/222009535.db2.gz YOIUINYSAOZIOF-GGAORHGYSA-N 0 0 392.886 5.277 50 10 GKCARN COc1ccccc1[C@H]1N=C(c2ccc(Cl)cc2)C[C@@H](c2ccccc2O)N1 ZINC000053363444 222010053 /nfs/dbraw/zinc/01/00/53/222010053.db2.gz QXRSZGXVBKXVKP-REWPJTCUSA-N 0 0 392.886 5.277 50 10 GKCARN COc1ccccc1[C@@H]1N=C(c2ccc(Cl)cc2)C[C@H](c2ccccc2O)N1 ZINC000053363439 222010073 /nfs/dbraw/zinc/01/00/73/222010073.db2.gz QXRSZGXVBKXVKP-NFBKMPQASA-N 0 0 392.886 5.277 50 10 GKCARN CCc1ccc(C2=N[C@H](c3ccccc3OC)N[C@@H](c3ccccc3O)C2)cc1 ZINC000058135969 222040762 /nfs/dbraw/zinc/04/07/62/222040762.db2.gz TYXUHUFTFRTZNS-RDGATRHJSA-N 0 0 386.495 5.186 50 10 GKCARN CN(Cc1ccccc1O)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000058366545 222051186 /nfs/dbraw/zinc/05/11/86/222051186.db2.gz OHDAWQXLNIKSMH-UHFFFAOYSA-N 0 0 385.385 5.350 50 10 GKCARN Cc1ccc(C)c(NC2=NC(=O)C(=Cc3csc(-c4ccco4)n3)S2)c1 ZINC000058406487 222052965 /nfs/dbraw/zinc/05/29/65/222052965.db2.gz YIRCFPQUMAHWEO-SXGWCWSVSA-N 0 0 381.482 5.102 50 10 GKCARN CSc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000016267643 534180521 /nfs/dbraw/zinc/18/05/21/534180521.db2.gz VAALJFMTWBYNOW-GDNBJRDFSA-N 0 0 377.943 5.468 50 10 GKCARN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000111479137 570217288 /nfs/dbraw/zinc/21/72/88/570217288.db2.gz YZTJKXQLGGNVAF-JZKQVHKSSA-N 0 0 398.300 5.371 50 10 GKCARN CC[C@@H]1CCCC[N@@H+]1Cc1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1[O-] ZINC000019789566 570219128 /nfs/dbraw/zinc/21/91/28/570219128.db2.gz DRWYHIUILSIYHE-GOSISDBHSA-N 0 0 377.484 5.239 50 10 GKCARN CC1CC[NH+](Cc2c([O-])c(Cl)cc3c(-c4ccccc4)cc(=O)oc32)CC1 ZINC000019789551 570219175 /nfs/dbraw/zinc/21/91/75/570219175.db2.gz ODRZLMBDBCOLEL-UHFFFAOYSA-N 0 0 383.875 5.051 50 10 GKCARN COc1cc2c(cc1NCC(=O)Nc1c(C)cc(C)cc1C)oc1ccccc12 ZINC000011619249 570237880 /nfs/dbraw/zinc/23/78/80/570237880.db2.gz KXVNBFSFNLMREK-UHFFFAOYSA-N 0 0 388.467 5.570 50 10 GKCARN C[C@@H]1OCN(c2ccc(OC(F)(F)F)cc2)Cn2c3cc(Cl)ccc3nc21 ZINC000001046364 570238373 /nfs/dbraw/zinc/23/83/73/570238373.db2.gz CHDDMUVXLGOKCE-NSHDSACASA-N 0 0 397.784 5.101 50 10 GKCARN Cc1ccc(CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3C)C2=O)cc1 ZINC000006275949 570240092 /nfs/dbraw/zinc/24/00/92/570240092.db2.gz FULBZKJQZMJSJQ-KGENOOAVSA-N 0 0 392.524 5.140 50 10 GKCARN CCN1C(=O)/C(=C\C=C2\Sc3ccc4ccccc4c3N2CC)SC1=S ZINC000097578192 570246925 /nfs/dbraw/zinc/24/69/25/570246925.db2.gz QVPNVTXAJDKIPT-MAEUFBSDSA-N 0 0 398.578 5.377 50 10 GKCARN Cc1cc2c(/C=C3/SC(=S)N(C)C3=O)c(-c3ccccc3)[nH]c2c(C)c1 ZINC000001152163 570249178 /nfs/dbraw/zinc/24/91/78/570249178.db2.gz ALQPGXYRXJWCAR-GZTJUZNOSA-N 0 0 378.522 5.283 50 10 GKCARN Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)SC2=S)c1 ZINC000001159602 570251386 /nfs/dbraw/zinc/25/13/86/570251386.db2.gz FUMLMARRGUEOCX-UYRXBGFRSA-N 0 0 377.490 5.661 50 10 GKCARN COc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1C ZINC000001159970 570251794 /nfs/dbraw/zinc/25/17/94/570251794.db2.gz JESKFHBAGSEHPY-QFIPXVFZSA-N 0 0 385.467 5.162 50 10 aggregator GKCARN Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(Cl)cc3)c(O)c2n1 ZINC000001168961 570253043 /nfs/dbraw/zinc/25/30/43/570253043.db2.gz PCBHRAHEKOFWDT-FQEVSTJZSA-N 0 0 375.859 5.499 50 10 GKCARN Nc1nc(-c2ccccc2)c(/N=N/c2c(Cl)cc(Cl)cc2Cl)s1 ZINC000100505904 570272684 /nfs/dbraw/zinc/27/26/84/570272684.db2.gz NWTUQWFAOKKCFS-QURGRASLSA-N 0 0 383.691 6.768 50 10 GKCARN CCN(CC)c1ccc(OCCOc2ccc(C3CCCCC3)cc2)c(C=O)c1 ZINC000002124391 570275303 /nfs/dbraw/zinc/27/53/03/570275303.db2.gz DIMWURQQRLDGFT-UHFFFAOYSA-N 0 0 395.543 5.851 50 10 GKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)c(C)c1 ZINC000002313183 570282244 /nfs/dbraw/zinc/28/22/44/570282244.db2.gz ZFJHLVKEUNEYOR-UYRXBGFRSA-N 0 0 381.566 6.007 50 10 GKCARN Cc1cc([N+](=O)[O-])ccc1N=NC(C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000103664925 570296205 /nfs/dbraw/zinc/29/62/05/570296205.db2.gz CNFVXWAGUKLDDS-WCWDXBQESA-N 0 0 387.395 5.121 50 10 GKCARN Oc1c([C@H](Nc2ccccn2)c2cccc(Cl)c2Cl)ccc2cccnc21 ZINC000002742971 570297531 /nfs/dbraw/zinc/29/75/31/570297531.db2.gz FMUBUUSODRAEMS-HXUWFJFHSA-N 0 0 396.277 5.844 50 10 GKCARN CN1CCCc2cc([C@H]3C=Cc4ccccc4N3C(=O)c3ccccc3)ccc21 ZINC000022016740 570301916 /nfs/dbraw/zinc/30/19/16/570301916.db2.gz JNNGMEOOKMBABH-RUZDIDTESA-N 0 0 380.491 5.484 50 10 GKCARN CCOc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)cc1 ZINC000002834248 570305658 /nfs/dbraw/zinc/30/56/58/570305658.db2.gz HKGVFHKMOBAOEG-HSZRJFAPSA-N 0 0 399.494 5.552 50 10 GKCARN CCCOc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1 ZINC000002834636 570305766 /nfs/dbraw/zinc/30/57/66/570305766.db2.gz VWFITOYWQVZLRO-HSZRJFAPSA-N 0 0 399.494 5.634 50 10 GKCARN Cc1nc(N)sc1-c1csc(Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000002860521 570311055 /nfs/dbraw/zinc/31/10/55/570311055.db2.gz JLTKJDUZRWPTAP-UHFFFAOYSA-N 0 0 390.843 5.573 50 10 GKCARN Oc1c([C@@H](Nc2ccccn2)c2cccc(Cl)c2)cc(Cl)c2cccnc12 ZINC000002862563 570311723 /nfs/dbraw/zinc/31/17/23/570311723.db2.gz QEMVHDDDWVNQAB-IBGZPJMESA-N 0 0 396.277 5.844 50 10 GKCARN Oc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=N[C@@H](c2ccc(Cl)cc2)N1 ZINC000053363517 570312567 /nfs/dbraw/zinc/31/25/67/570312567.db2.gz TXUHOCWOHJNUOL-IFMALSPDSA-N 0 0 397.305 5.922 50 10 GKCARN CCN(CC)c1ccc(N2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)cc1 ZINC000033411268 570312780 /nfs/dbraw/zinc/31/27/80/570312780.db2.gz LHGZGAUPWOFLKN-PIOMCWCKSA-N 0 0 394.565 5.495 50 10 GKCARN CCN(CC)c1ccc([C@H]2C=Cc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000002944588 570319056 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COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000004869525 570351633 /nfs/dbraw/zinc/35/16/33/570351633.db2.gz PBKIEPKCIBXSIO-JOWZZTKRSA-N 0 0 389.411 5.400 50 10 GKCARN COc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc1 ZINC000004178223 570361141 /nfs/dbraw/zinc/36/11/41/570361141.db2.gz BFPBMCYGOUABQS-QFIPXVFZSA-N 0 0 385.467 5.162 50 10 GKCARN COCc1cccc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc32)c1 ZINC000010912784 570365565 /nfs/dbraw/zinc/36/55/65/570365565.db2.gz XEZAXOYZLBTXRH-RUZDIDTESA-N 0 0 397.474 5.211 50 10 GKCARN Cc1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 ZINC000004321228 570367520 /nfs/dbraw/zinc/36/75/20/570367520.db2.gz VOUNWWOTGCOYHY-KFGLOJPWSA-N 0 0 384.479 5.798 50 10 GKCARN CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000004321277 570367537 /nfs/dbraw/zinc/36/75/37/570367537.db2.gz AGVOAIGMMHPJPZ-ZWOKBUDYSA-N 0 0 383.289 5.234 50 10 GKCARN COc1cc(C)c(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1C ZINC000004347701 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C[C@H](c1ccccc1)N1C(=O)C(=Cc2c[nH]nc2-c2ccccc2)SC1=S ZINC000004980665 570389214 /nfs/dbraw/zinc/38/92/14/570389214.db2.gz YWEKGNWETMHRGN-IIMQCXAKSA-N 0 0 391.521 5.039 50 10 GKCARN COc1ccc(N2Cc3c(-c4ccccc4)[nH]nc3N(Cc3ccccc3)C2)cc1 ZINC000004649966 570389793 /nfs/dbraw/zinc/38/97/93/570389793.db2.gz IYUGXJHDRRSUOE-UHFFFAOYSA-N 0 0 396.494 5.070 50 10 GKCARN COc1ccccc1[C@H]1Nc2c(Cl)ccc(C(F)(F)F)c2[C@H]2C=CC[C@@H]21 ZINC000004664571 570390992 /nfs/dbraw/zinc/39/09/92/570390992.db2.gz WGENDORRYGHSIW-PZROIBLQSA-N 0 0 379.809 6.194 50 10 GKCARN Oc1c([C@H](Nc2ccccc2C(F)(F)F)c2ccccn2)ccc2cccnc21 ZINC000005009301 570395059 /nfs/dbraw/zinc/39/50/59/570395059.db2.gz CMGMGBJEHCIMTC-FQEVSTJZSA-N 0 0 395.384 5.556 50 10 GKCARN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc(-c3noc(C)n3)sc2C)cc1 ZINC000035554662 570395517 /nfs/dbraw/zinc/39/55/17/570395517.db2.gz FZIDDPMXIJGQHM-UHFFFAOYSA-N 0 0 392.484 5.075 50 10 GKCARN CN1C(=O)/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)SC1=S ZINC000005028567 570398807 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Oc1c([C@@H](Nc2ccccn2)c2ccc(OC(F)F)cc2)ccc2cccnc21 ZINC000005092505 570415443 /nfs/dbraw/zinc/41/54/43/570415443.db2.gz OYBWARTUSWJDHO-IBGZPJMESA-N 0 0 393.393 5.138 50 10 GKCARN Oc1c([C@H](Nc2ccccn2)c2ccc(OC(F)F)cc2)ccc2cccnc21 ZINC000005092508 570415491 /nfs/dbraw/zinc/41/54/91/570415491.db2.gz OYBWARTUSWJDHO-LJQANCHMSA-N 0 0 393.393 5.138 50 10 GKCARN O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000005093477 570415854 /nfs/dbraw/zinc/41/58/54/570415854.db2.gz JHJFWXPLMBKULF-AUWJEWJLSA-N 0 0 384.284 5.538 50 10 GKCARN Cc1ccc(NCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1Cl ZINC000005008780 570423521 /nfs/dbraw/zinc/42/35/21/570423521.db2.gz AARNYSKYMYSDCX-LZYBPNLTSA-N 0 0 392.908 5.058 50 10 GKCARN COc1ccc(N2C(=O)/C(=C\c3ccc4ccccc4c3)SC2=S)cc1 ZINC000005023561 570424584 /nfs/dbraw/zinc/42/45/84/570424584.db2.gz IOGFTMRAZCGZHM-CPNJWEJPSA-N 0 0 377.490 5.254 50 10 GKCARN Cc1cccc(NC2=NC(=O)C(=Cc3ccc(Br)cc3)S2)c1C ZINC000005090785 570428592 /nfs/dbraw/zinc/42/85/92/570428592.db2.gz NOANUBJMKTXYQA-MHWRWJLKSA-N 0 0 387.302 5.148 50 10 GKCARN CCOc1ccc([C@H](Nc2cccc(C)n2)c2ccc3cccnc3c2O)cc1 ZINC000005102200 570429450 /nfs/dbraw/zinc/42/94/50/570429450.db2.gz KELBRRFGLICPTL-QFIPXVFZSA-N 0 0 385.467 5.244 50 10 GKCARN Cc1ccnc(N[C@@H](c2ccc3cccnc3c2O)c2c(F)cccc2Cl)c1 ZINC000005102224 570429454 /nfs/dbraw/zinc/42/94/54/570429454.db2.gz CRIZOPXWFAJBPS-NRFANRHFSA-N 0 0 393.849 5.638 50 10 GKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)c(C)c1 ZINC000005172484 570430809 /nfs/dbraw/zinc/43/08/09/570430809.db2.gz MPJHDDBJGQNSSS-PXNMLYILSA-N 0 0 394.348 6.016 50 10 GKCARN CC(=Cc1ccccc1)C=C1SC(Nc2ccc(Br)cc2)=NC1=O ZINC000027229184 570432396 /nfs/dbraw/zinc/43/23/96/570432396.db2.gz PDIFRSZLSURBJJ-QKIOLIMFSA-N 0 0 399.313 5.478 50 10 GKCARN Cc1ccc(Nc2ccc3c4c(cc(=O)n3C)-c3ccccc3C(=O)c24)c(C)c1 ZINC000001822487 570436418 /nfs/dbraw/zinc/43/64/18/570436418.db2.gz UPQBOWZVWWDUPX-UHFFFAOYSA-N 0 0 380.447 5.110 50 10 biogenic GKCARN CCCCN1C(=O)/C(=C/C=C2/N(C)c3ccc(C)cc3C2(C)C)SC1=S 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CC(C)CNc1cc(N2CCCCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006737899 209676920 /nfs/dbraw/zinc/67/69/20/209676920.db2.gz SJUSADQNIREQEE-UHFFFAOYSA-N 0 0 375.472 5.097 50 10 GKCARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(N(C)C)cc2)N3)C1 ZINC000006386333 209646580 /nfs/dbraw/zinc/64/65/80/209646580.db2.gz HYWXGRSBSCPSNW-FOIQADDNSA-N 0 0 397.588 5.784 50 10 GKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S ZINC000006323614 209642280 /nfs/dbraw/zinc/64/22/80/209642280.db2.gz KDJVYWXZKDHXNL-VUFYJBQKSA-N 0 0 387.570 5.423 50 10 GKCARN O=C1N=C(N2CCCC2)S/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000005100894 209569508 /nfs/dbraw/zinc/56/95/08/209569508.db2.gz BWZMYMWDRTZBFG-YBEGLDIGSA-N 0 0 393.295 5.320 50 10 GKCARN COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2 ZINC000004675439 209509269 /nfs/dbraw/zinc/50/92/69/209509269.db2.gz LUIMDTSAEHIQGE-MDZRGWNJSA-N 0 0 384.273 5.062 50 10 GKCARN O=[N+]([O-])c1ccc([C@@H]2Nc3c(C(F)(F)F)ccc(Cl)c3[C@H]3C=CC[C@@H]32)cc1 ZINC000004427870 209486592 /nfs/dbraw/zinc/48/65/92/209486592.db2.gz KPJBPVNCPOHPDZ-DCGLDWPTSA-N 0 0 394.780 6.094 50 10 GKCARN Cc1cc(Cl)ccc1O[C@@H](C)c1nc(-c2ccc(-n3cccc3)cc2)no1 ZINC000003642529 209449832 /nfs/dbraw/zinc/44/98/32/209449832.db2.gz SLGBQPBBSAEBFO-HNNXBMFYSA-N 0 0 379.847 5.629 50 10 GKCARN Cc1ccccc1NCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S ZINC000003102879 209410594 /nfs/dbraw/zinc/41/05/94/209410594.db2.gz TVKFFGMTUDTLAE-UNOMPAQXSA-N 0 0 382.554 5.389 50 10 GKCARN O=C1/C(=C/c2ccc(C(F)(F)F)cc2)SC(=S)N1c1cccc(Cl)c1 ZINC000002931218 209399000 /nfs/dbraw/zinc/39/90/00/209399000.db2.gz YSZMKZDLMQKTRH-ZSOIEALJSA-N 0 0 399.846 5.765 50 10 GKCARN Cc1ccc([C@@H](NC(=O)CCc2ccccc2)c2c(O)ccc3ccccc32)cc1 ZINC000002817156 209388034 /nfs/dbraw/zinc/38/80/34/209388034.db2.gz YKPNZUGHNROUQU-HHHXNRCGSA-N 0 0 395.502 5.692 50 10 GKCARN CCCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000002678078 209376792 /nfs/dbraw/zinc/37/67/92/209376792.db2.gz VRPNPZFORCXXLE-RGEXLXHISA-N 0 0 383.538 5.267 50 10 GKCARN Cc1cccc(C)c1OCC(=O)N(Cc1ccccc1O)c1c(C)cccc1C ZINC000002351242 209359219 /nfs/dbraw/zinc/35/92/19/209359219.db2.gz ICVPSWVNGUMNHM-UHFFFAOYSA-N 0 0 389.495 5.238 50 10 GKCARN Cc1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1 ZINC000002323413 209357843 /nfs/dbraw/zinc/35/78/43/209357843.db2.gz QXBLJVHYSCVNIQ-DHDCSXOGSA-N 0 0 380.321 5.708 50 10 GKCARN CCOC(=O)c1ccc(N[C@@H](c2ccccc2)c2ccc3cccnc3c2O)cc1 ZINC000002273659 209353416 /nfs/dbraw/zinc/35/34/16/209353416.db2.gz OTJPJABPMDRCJV-QFIPXVFZSA-N 0 0 398.462 5.319 50 10 GKCARN Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cc(Cl)cc(Cl)c1 ZINC000001389585 209325878 /nfs/dbraw/zinc/32/58/78/209325878.db2.gz LBFUXJJQVLRUNV-UHFFFAOYSA-N 0 0 380.296 5.163 50 10 GKCARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4O)=NN32)o1 ZINC000010215225 209321141 /nfs/dbraw/zinc/32/11/41/209321141.db2.gz XIYQQFGZFLRCHW-LAUBAEHRSA-N 0 0 380.831 5.189 50 10 GKCARN COc1cccc2c1O[C@H](c1cccs1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 ZINC000010215932 209320501 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O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000000857526 209273655 /nfs/dbraw/zinc/27/36/55/209273655.db2.gz JCEQNCXPTNBQBM-UHFFFAOYSA-N 0 0 393.222 5.007 50 10 GKCARN CC(C)CC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1ccc2cccnc2c1O ZINC000000801030 209266188 /nfs/dbraw/zinc/26/61/88/209266188.db2.gz GFTQCVMCUADNIJ-QFIPXVFZSA-N 0 0 376.500 5.316 50 10 GKCARN CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000000662752 209256123 /nfs/dbraw/zinc/25/61/23/209256123.db2.gz AGVOAIGMMHPJPZ-FUHIMQAGSA-N 0 0 383.289 5.234 50 10 GKCARN COc1cc(Br)cc(CNc2ccc(Cl)c(Cl)c2)c1O ZINC000000629144 209251915 /nfs/dbraw/zinc/25/19/15/209251915.db2.gz QKWZVPMTCZTGBJ-UHFFFAOYSA-N 0 0 377.065 5.082 50 10 GKCARN CN1c2cc(Cl)ccc2S/C1=C1\SC(=S)N(C2CCCCC2)C1=O ZINC000002070272 212263174 /nfs/dbraw/zinc/26/31/74/212263174.db2.gz KNQWAUCTASQBHR-PEZBUJJGSA-N 0 0 396.990 5.244 50 10 GKCARN CCC(=O)N(CC[C@@H](c1ccco1)c1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000001321416 212234897 /nfs/dbraw/zinc/23/48/97/212234897.db2.gz 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CC(C)c1ccc(NC(=O)CSc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000001034191 212207540 /nfs/dbraw/zinc/20/75/40/212207540.db2.gz PGYLKKUXBJNKCG-UHFFFAOYSA-N 0 0 394.327 5.724 50 10 GKCARN Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000000980386 212201176 /nfs/dbraw/zinc/20/11/76/212201176.db2.gz APEMZBALPHQRND-CPNJWEJPSA-N 0 0 389.480 5.038 50 10 GKCARN O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1c2ccccc2cc2ccccc21 ZINC000000859667 212189842 /nfs/dbraw/zinc/18/98/42/212189842.db2.gz DVYVJBUAUIHSJV-HMAPJEAMSA-N 0 0 398.849 5.108 50 10 GKCARN CN(C)c1ccc(-c2nc3cc(NC(=O)c4ccccc4Cl)ccc3o2)cc1 ZINC000000826385 212186977 /nfs/dbraw/zinc/18/69/77/212186977.db2.gz WQLMCEDOSCJZCP-UHFFFAOYSA-N 0 0 391.858 5.467 50 10 GKCARN O=C1c2ccccc2C(=O)C1(Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000000820212 212186154 /nfs/dbraw/zinc/18/61/54/212186154.db2.gz VIXAYUIGPHOOQA-UHFFFAOYSA-N 0 0 382.246 5.380 50 10 GKCARN CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2ccc(O)cc2)c(C(C)C)c1 ZINC000000823282 212185091 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Cc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccco2)c1 ZINC000010215319 206374920 /nfs/dbraw/zinc/37/49/20/206374920.db2.gz RRPGUXVATKMIGN-DYESRHJHSA-N 0 0 380.831 5.189 50 10 GKCARN O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1c1ccccc1F ZINC000001160281 206362130 /nfs/dbraw/zinc/36/21/30/206362130.db2.gz GIHVJNJIVQKUBY-WQRHYEAKSA-N 0 0 399.443 5.631 50 10 GKCARN O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc21)c1ccccc1Cl ZINC000001782196 206391282 /nfs/dbraw/zinc/39/12/82/206391282.db2.gz VCSPTDWYLJBNPY-HSZRJFAPSA-N 0 0 387.866 5.718 50 10 aggregator GKCARN CCCC[NH+](CCCC)Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21 ZINC000001782039 206391753 /nfs/dbraw/zinc/39/17/53/206391753.db2.gz HWBZILMAYVKYDH-UHFFFAOYSA-N 0 0 379.500 5.568 50 10 GKCARN Cc1cccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)c1C ZINC000001788094 206392308 /nfs/dbraw/zinc/39/23/08/206392308.db2.gz HJMUGRINWGFJPQ-SXGWCWSVSA-N 0 0 394.348 6.016 50 10 GKCARN Cc1ccc(CN2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)cc1 ZINC000002673234 206428785 /nfs/dbraw/zinc/42/87/85/206428785.db2.gz UODCAJJIHKZMMX-UYRXBGFRSA-N 0 0 381.566 5.694 50 10 GKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(C)cc2)cc1 ZINC000004682088 206541193 /nfs/dbraw/zinc/54/11/93/206541193.db2.gz ZRDZFVFRJQNHRA-JLPGSUDCSA-N 0 0 382.463 5.380 50 10 GKCARN Cc1ccccc1/N=N/c1ccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000004844086 206561674 /nfs/dbraw/zinc/56/16/74/206561674.db2.gz AHHHEJAOCSITBJ-SHKWJFPUSA-N 0 0 399.538 7.351 50 10 GKCARN O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1c1ccc(Cl)cc1 ZINC000005100871 206590989 /nfs/dbraw/zinc/59/09/89/206590989.db2.gz FQMJPDJSVWHPJJ-ZSOIEALJSA-N 0 0 384.284 5.538 50 10 GKCARN CN1C(=O)/C(=C\c2cccc(OCc3cccc4ccccc43)c2)SC1=S ZINC000005102883 206591715 /nfs/dbraw/zinc/59/17/15/206591715.db2.gz HKNLBXZUHQGCQP-DEDYPNTBSA-N 0 0 391.517 5.250 50 10 GKCARN CC(C)(C)C1=CC(=NNc2cccc3ccccc32)C(=O)C(Br)=C1 ZINC000005839176 206629913 /nfs/dbraw/zinc/62/99/13/206629913.db2.gz UJZDIVFKSDNPEU-GHVJWSGMSA-N 0 0 383.289 7.021 50 10 GKCARN Cc1ccc(N2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)SC2=S)cc1C ZINC000009232270 206779547 /nfs/dbraw/zinc/77/95/47/206779547.db2.gz ZEHCIJNRAFZROR-MHWRWJLKSA-N 0 0 393.455 5.728 50 10 GKCARN O=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1Cc1ccccc1 ZINC000013941753 207004294 /nfs/dbraw/zinc/00/42/94/207004294.db2.gz DZACPZRRRNURED-XDHOZWIPSA-N 0 0 395.480 5.487 50 10 GKCARN CCN(CC)c1ccc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)cc1 ZINC000015011107 207039900 /nfs/dbraw/zinc/03/99/00/207039900.db2.gz PAHGTUADZQVUSQ-CYVLTUHYSA-N 0 0 388.602 5.314 50 10 GKCARN O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1Cc1ccccc1 ZINC000015011477 207040473 /nfs/dbraw/zinc/04/04/73/207040473.db2.gz RSVKGGZPSJTNRZ-XNTDXEJSSA-N 0 0 379.428 5.107 50 10 GKCARN O=C1OC(c2ccccc2)=C/C1=C\c1ccc(-c2cccc(Br)c2)o1 ZINC000015016351 207041421 /nfs/dbraw/zinc/04/14/21/207041421.db2.gz UXJHMAMQICIARY-FOWTUZBSSA-N 0 0 393.236 5.690 50 10 GKCARN Fc1cc(Br)cc2c1N[C@H](c1cccc3ccccc31)[C@@H]1CC=C[C@H]21 ZINC000015228962 207049796 /nfs/dbraw/zinc/04/97/96/207049796.db2.gz NTJIJLFXLQFJDV-YRISNDGFSA-N 0 0 394.287 6.568 50 10 GKCARN COc1ccc2ccccc2c1/C=C1\SC(=S)N(C2CCCCC2)C1=O ZINC000016227879 207074477 /nfs/dbraw/zinc/07/44/77/207074477.db2.gz DPONJJYCCXJZKK-UYRXBGFRSA-N 0 0 383.538 5.382 50 10 GKCARN COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C\c2c[nH]c3ccccc23)cc1 ZINC000018193117 207094953 /nfs/dbraw/zinc/09/49/53/207094953.db2.gz MXCZYEVPZANBOX-JCMHNJIXSA-N 0 0 393.446 5.011 50 10 GKCARN CCCCN1C(=O)/C(=C2\Sc3ccc(Cl)cc3N2CC)SC1=S ZINC000018155622 207094595 /nfs/dbraw/zinc/09/45/95/207094595.db2.gz AVHXAJUBBAZIGF-FYWRMAATSA-N 0 0 384.979 5.102 50 10 GKCARN COc1cc([N+](=O)[O-])ccc1/N=N/c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000018191745 207095554 /nfs/dbraw/zinc/09/55/54/207095554.db2.gz CFYJKMUSHGDVHJ-OCEACIFDSA-N 0 0 399.410 6.076 50 10 GKCARN Oc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025558802 207304671 /nfs/dbraw/zinc/30/46/71/207304671.db2.gz QFGWWMOKECHORR-KNQAVFIVSA-N 0 0 376.843 5.288 50 10 GKCARN Cc1nc(CSc2ncc(-c3ccc(Cl)cc3)n2Cc2ccccc2)no1 ZINC000030506947 207371381 /nfs/dbraw/zinc/37/13/81/207371381.db2.gz IRUFVHMPLWQKPP-UHFFFAOYSA-N 0 0 396.903 5.236 50 10 GKCARN CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2CC)SC1=S ZINC000033675184 207462052 /nfs/dbraw/zinc/46/20/52/207462052.db2.gz AVHXAJUBBAZIGF-SQFISAMPSA-N 0 0 384.979 5.102 50 10 GKCARN O=C1c2ccccc2C(=O)C1C1=C[C@H](c2ccccc2)[C@H](c2cccs2)N=N1 ZINC000100716027 208378805 /nfs/dbraw/zinc/37/88/05/208378805.db2.gz VAKIABKPXRWWNE-DYESRHJHSA-N 0 0 384.460 5.618 50 10 GKCARN O=C(Nc1nc2ccccc2n1Cc1ccccc1)Nc1ccc(Cl)cc1 ZINC000020031897 210312145 /nfs/dbraw/zinc/31/21/45/210312145.db2.gz WQLFMSZOYRGBTI-UHFFFAOYSA-N 0 0 376.847 5.382 50 10 GKCARN CC[C@@H]1CCCC[N@@H+]1Cc1c([O-])c(Cl)cc2c(-c3ccccc3)cc(=O)oc21 ZINC000019789553 210296638 /nfs/dbraw/zinc/29/66/38/210296638.db2.gz DOFZUJJFKJSWGS-MRXNPFEDSA-N 0 0 397.902 5.584 50 10 GKCARN Cc1ccc(CN2C(=O)/C(=C/C3=Cc4ccccc4O[C@@H]3C)SC2=S)cc1 ZINC000001133747 220477611 /nfs/dbraw/zinc/47/76/11/220477611.db2.gz HSIVQZUPBATKJE-GEYIUBJWSA-N 0 0 393.533 5.104 50 10 GKCARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4O)=NN32)o1 ZINC000227485756 209000889 /nfs/dbraw/zinc/00/08/89/209000889.db2.gz XIYQQFGZFLRCHW-DYESRHJHSA-N 0 0 380.831 5.189 50 10 GKCARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000004869524 220781565 /nfs/dbraw/zinc/78/15/65/220781565.db2.gz PBKIEPKCIBXSIO-PWKIUMOWSA-N 0 0 389.411 5.400 50 10 GKCARN Cc1cc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c(C)n1-c1cccc2ccccc21 ZINC000006329721 220930018 /nfs/dbraw/zinc/93/00/18/220930018.db2.gz CWPNEPWHXAVGHI-XKZIYDEJSA-N 0 0 398.893 6.393 50 10 GKCARN Cc1cc(CNC(=O)Nc2cccc3c2CCCC3)c(C)n1-c1ccc(C)cc1 ZINC000009228556 221074472 /nfs/dbraw/zinc/07/44/72/221074472.db2.gz NPJQMOSSLHOMKA-UHFFFAOYSA-N 0 0 387.527 5.603 50 10 GKCARN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4)o3)SC2=S)cc1C ZINC000009232275 221074628 /nfs/dbraw/zinc/07/46/28/221074628.db2.gz QFMCMUBMMFLBGJ-DEDYPNTBSA-N 0 0 391.517 5.969 50 10 GKCARN COc1ccc(-n2c(C)cc(CNC(=O)Nc3cc(C)cc(C)c3)c2C)cc1 ZINC000009228635 221074681 /nfs/dbraw/zinc/07/46/81/221074681.db2.gz HFHAVEWKJGEQPQ-UHFFFAOYSA-N 0 0 377.488 5.041 50 10 GKCARN COc1ccc(C)cc1NC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000009228771 221074923 /nfs/dbraw/zinc/07/49/23/221074923.db2.gz RGNPSFXDWGQWIZ-UHFFFAOYSA-N 0 0 377.488 5.041 50 10 GKCARN COc1ccccc1-n1c(C)cc(CNC(=O)Nc2ccc(Cl)cc2)c1C ZINC000009228866 221075175 /nfs/dbraw/zinc/07/51/75/221075175.db2.gz AVJBARJUJDKRLT-UHFFFAOYSA-N 0 0 383.879 5.078 50 10 GKCARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4O)=NN32)o1 ZINC000010215228 221098290 /nfs/dbraw/zinc/09/82/90/221098290.db2.gz XIYQQFGZFLRCHW-UWJYYQICSA-N 0 0 380.831 5.189 50 10 GKCARN Oc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccsc2)cc1 ZINC000010215414 221098383 /nfs/dbraw/zinc/09/83/83/221098383.db2.gz XWZKIDFRJHHFHR-UYAOXDASSA-N 0 0 382.872 5.349 50 10 GKCARN CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000012382325 221187470 /nfs/dbraw/zinc/18/74/70/221187470.db2.gz PCSFGONBZQAHOM-WOIUINJBSA-N 0 0 392.455 5.234 50 10 GKCARN CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000012382319 221188127 /nfs/dbraw/zinc/18/81/27/221188127.db2.gz UWUHWCGACIAOIT-XQBPLPMBSA-N 0 0 392.455 5.234 50 10 GKCARN CCOc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1O ZINC000015016210 221325839 /nfs/dbraw/zinc/32/58/39/221325839.db2.gz BAPKTBYGPQCKON-VGSWGCGISA-N 0 0 392.480 5.095 50 10 GKCARN COc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000016448624 221363302 /nfs/dbraw/zinc/36/33/02/221363302.db2.gz VPXXBEOUQOEFIN-FHAGJXEFSA-N 0 0 398.462 6.097 50 10 GKCARN Cn1c(-c2ccc(Cl)cc2)cnc1SCc1ccc(Br)cc1 ZINC000017144373 221379429 /nfs/dbraw/zinc/37/94/29/221379429.db2.gz YKOTXMCLJXCBCQ-UHFFFAOYSA-N 0 0 393.737 5.795 50 10 GKCARN Cc1ccccc1NC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21 ZINC000017952710 221385092 /nfs/dbraw/zinc/38/50/92/221385092.db2.gz XWTWCLAEJRUAPM-UKAVVXHISA-N 0 0 382.507 5.400 50 10 GKCARN CCOC(=O)c1ccccc1/N=N/c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000018191763 221388993 /nfs/dbraw/zinc/38/89/93/221388993.db2.gz XKJCFYSHPQQTSE-BYYHNAKLSA-N 0 0 396.450 6.336 50 10 GKCARN COC(=O)c1cccc2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@@H]21 ZINC000020033779 221468218 /nfs/dbraw/zinc/46/82/18/221468218.db2.gz MBPGNCAYMOGHPH-VFVRVIDISA-N 0 0 384.273 5.062 50 10 GKCARN CCCCCCc1c(C)c2cc(Cl)c([O-])c(C[NH+]3CCCCC3)c2oc1=O ZINC000020323874 221481755 /nfs/dbraw/zinc/48/17/55/221481755.db2.gz XRKIZPIQIZFNBZ-UHFFFAOYSA-N 0 0 391.939 5.569 50 10 GKCARN C(=C/c1ccc(N2CCOCC2)cc1)\c1nc2cc(-c3ccccc3)ccc2o1 ZINC000014077402 533351599 /nfs/dbraw/zinc/35/15/99/533351599.db2.gz UOUWLJSWHKUEPK-MDWZMJQESA-N 0 0 382.463 5.502 50 10 GKCARN Cc1ccccc1NC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21 ZINC000102989109 136190531 /nfs/dbraw/zinc/19/05/31/136190531.db2.gz XWTWCLAEJRUAPM-KOUHRCEDSA-N 0 0 382.507 5.400 50 10 GKCARN Cc1ccccc1N1CCN(C(=S)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC000001471368 136193236 /nfs/dbraw/zinc/19/32/36/136193236.db2.gz BVZJCALCSVVPPA-UHFFFAOYSA-N 0 0 396.943 5.406 50 10 GKCARN Cc1ccc(-c2ccc(C(=S)N3CCN(c4ccc(C)cc4)CC3)o2)cc1 ZINC000004063818 136193676 /nfs/dbraw/zinc/19/36/76/136193676.db2.gz YWANQGQXCKIGJW-UHFFFAOYSA-N 0 0 376.525 5.061 50 10 GKCARN Cc1ccccc1N1CCN(C(=S)c2ccc(-c3cccc(Cl)c3)o2)CC1 ZINC000004059292 136193692 /nfs/dbraw/zinc/19/36/92/136193692.db2.gz PZUXXURKBVGZGJ-UHFFFAOYSA-N 0 0 396.943 5.406 50 10 GKCARN O=C1c2ccccc2N[C@@H](c2ccc(N3CCCCC3)cc2)N1Cc1ccco1 ZINC000008159638 136195485 /nfs/dbraw/zinc/19/54/85/136195485.db2.gz XIYODBVQWZAHIP-HSZRJFAPSA-N 0 0 387.483 5.037 50 10 GKCARN O=[N+]([O-])c1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(F)cc4c3N2C[C@@H]2CC=C[C@@H]42)cc1 ZINC000169617631 136197293 /nfs/dbraw/zinc/19/72/93/136197293.db2.gz NCRCCPRHMJZJEF-QCUMIWAISA-N 0 0 388.442 5.628 50 10 GKCARN Clc1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Cl)cc4c3N2C[C@@H]2CC=C[C@@H]42)cc1 ZINC000169617150 136197343 /nfs/dbraw/zinc/19/73/43/136197343.db2.gz NEVXFPDVXYJQFC-QCUMIWAISA-N 0 0 394.345 6.888 50 10 GKCARN COc1ccc(C2=N[C@H](c3cccc(Cl)c3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000053364848 222009458 /nfs/dbraw/zinc/00/94/58/222009458.db2.gz GYKOZKDUXZVEGM-GGAORHGYSA-N 0 0 392.886 5.277 50 10 GKCARN COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000053362924 222009526 /nfs/dbraw/zinc/00/95/26/222009526.db2.gz AZXXITQOMXYZKP-FYYLOGMGSA-N 0 0 392.886 5.277 50 10 GKCARN Cc1ccc([C@@H]2N=C(c3ccc(Cl)cc3)C[C@@H](c3ccccc3O)N2)cc1 ZINC000053363458 222009866 /nfs/dbraw/zinc/00/98/66/222009866.db2.gz BMBRDDYTNNOPMH-JTHBVZDNSA-N 0 0 376.887 5.577 50 10 GKCARN CCOc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@H](c3ccccc3O)C2)cc1 ZINC000053363146 222010023 /nfs/dbraw/zinc/01/00/23/222010023.db2.gz LWXGOLUQSGJFCN-LADGPHEKSA-N 0 0 390.458 5.153 50 10 GKCARN CCc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@@H](c3ccccc3O)C2)cc1 ZINC000058135977 222040586 /nfs/dbraw/zinc/04/05/86/222040586.db2.gz TYXUHUFTFRTZNS-RCZVLFRGSA-N 0 0 386.495 5.186 50 10 GKCARN CCOc1cc(CNc2ccc(O)cc2)cc(Cl)c1OCc1ccccc1 ZINC000000679200 528286239 /nfs/dbraw/zinc/28/62/39/528286239.db2.gz LYONSKSTHIQELX-UHFFFAOYSA-N 0 0 383.875 5.635 50 10 GKCARN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Br)N2 ZINC000111479134 570217346 /nfs/dbraw/zinc/21/73/46/570217346.db2.gz YZTJKXQLGGNVAF-CKNLXJGOSA-N 0 0 398.300 5.371 50 10 GKCARN CC(C)[NH+](Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)coc21)C(C)C ZINC000019787276 570218695 /nfs/dbraw/zinc/21/86/95/570218695.db2.gz NTRYRLYSHYWKST-UHFFFAOYSA-N 0 0 385.891 5.438 50 10 biogenic GKCARN Cc1cc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1cccc(C)c1 ZINC000015728511 570221081 /nfs/dbraw/zinc/22/10/81/570221081.db2.gz PMOLWVIXYFZZHY-UHFFFAOYSA-N 0 0 391.559 5.171 50 10 GKCARN CC(C)C(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O ZINC000000869240 570227530 /nfs/dbraw/zinc/22/75/30/570227530.db2.gz GUGJXJDURCSDQV-SFHVURJKSA-N 0 0 389.282 5.109 50 10 GKCARN Cc1ccc(C)c([C@@H](Nc2cccnc2)c2cc(Cl)c3cccnc3c2O)c1 ZINC000001065697 570239833 /nfs/dbraw/zinc/23/98/33/570239833.db2.gz MJUWUFTWEZHRBO-OAQYLSRUSA-N 0 0 389.886 5.807 50 10 GKCARN CN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S ZINC000001168752 570253014 /nfs/dbraw/zinc/25/30/14/570253014.db2.gz YQVZYQGIBGULSW-ZDLGFXPLSA-N 0 0 398.940 5.174 50 10 GKCARN CSc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1 ZINC000001171678 570253279 /nfs/dbraw/zinc/25/32/79/570253279.db2.gz HXUCONQSWLUJMR-NRFANRHFSA-N 0 0 387.508 5.567 50 10 GKCARN O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccc(F)cc1 ZINC000001801631 570268694 /nfs/dbraw/zinc/26/86/94/570268694.db2.gz NNBKJOKHMFAOCR-ZSOIEALJSA-N 0 0 384.284 5.538 50 10 GKCARN CCN(CC)c1ccc(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 ZINC000001806766 570269009 /nfs/dbraw/zinc/26/90/09/570269009.db2.gz LHGZGAUPWOFLKN-HGZPKWKRSA-N 0 0 394.565 5.495 50 10 GKCARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)/N=N/C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000043762034 570271712 /nfs/dbraw/zinc/27/17/12/570271712.db2.gz NFTASUQYTUXRSI-FCPXRJIOSA-N 0 0 394.556 6.633 50 10 GKCARN Cc1ccc(C)c(C2=C/C(=C/c3c4ccccc4cc4ccccc34)C(=O)O2)c1 ZINC000002188054 570278188 /nfs/dbraw/zinc/27/81/88/570278188.db2.gz MFTJNOUROJYJKB-QNGOZBTKSA-N 0 0 376.455 6.591 50 10 GKCARN CCOc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1C ZINC000002470406 570287834 /nfs/dbraw/zinc/28/78/34/570287834.db2.gz CYNZBLNMIJNBSF-QHCPKHFHSA-N 0 0 399.494 5.552 50 10 in-vitro GKCARN Cc1oc2c(ccc([O-])c2C[NH+]2CCCCC2)c(=O)c1Oc1ccc(Cl)cc1 ZINC000021548860 570292261 /nfs/dbraw/zinc/29/22/61/570292261.db2.gz WAFACAULYPVWJM-UHFFFAOYSA-N 0 0 399.874 5.239 50 10 GKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S ZINC000002696763 570295409 /nfs/dbraw/zinc/29/54/09/570295409.db2.gz BPHPKWBWVYSXFD-YYTPVVGHSA-N 0 0 378.519 5.012 50 10 GKCARN C/C(=C1/SC(=S)N(c2cccc(C)c2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000002700416 570295424 /nfs/dbraw/zinc/29/54/24/570295424.db2.gz BLIWOJMJYOAHAS-LGMDPLHJSA-N 0 0 384.482 5.008 50 10 GKCARN Oc1c([C@H](Nc2ccccn2)c2ccc(Cl)cc2Cl)ccc2cccnc21 ZINC000002708538 570295701 /nfs/dbraw/zinc/29/57/01/570295701.db2.gz ZQNSVWDKNCLXET-HXUWFJFHSA-N 0 0 396.277 5.844 50 10 GKCARN CC(C)(C)c1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 ZINC000002745422 570297805 /nfs/dbraw/zinc/29/78/05/570297805.db2.gz RWFNQAOHQVYJRV-JOCHJYFZSA-N 0 0 383.495 5.834 50 10 GKCARN CC1(C)Cc2c(cc(-c3ccc(Br)cc3)n2-c2ccccc2)C(=O)C1 ZINC000002756697 570298903 /nfs/dbraw/zinc/29/89/03/570298903.db2.gz VUCAANGSSBLYLM-UHFFFAOYSA-N 0 0 394.312 6.062 50 10 GKCARN CCc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc1 ZINC000002838754 570306584 /nfs/dbraw/zinc/30/65/84/570306584.db2.gz VMJSGPIXIRITKR-HSZRJFAPSA-N 0 0 383.495 5.716 50 10 GKCARN Cc1ccccc1/N=N/c1ccc(NC(=O)c2cc3ccccc3oc2=O)c(C)c1 ZINC000004833407 570308294 /nfs/dbraw/zinc/30/82/94/570308294.db2.gz PMMREISLBSXYJW-CYYJNZCTSA-N 0 0 397.434 6.078 50 10 GKCARN Cc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)c(C)n1CC(F)(F)F ZINC000014543859 570313396 /nfs/dbraw/zinc/31/33/96/570313396.db2.gz JKTJZIJUNWSTDA-IUXPMGMMSA-N 0 0 395.812 5.127 50 10 GKCARN Cc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000002883620 570315997 /nfs/dbraw/zinc/31/59/97/570315997.db2.gz KQUBJIXSEBVKKR-UHFFFAOYSA-N 0 0 375.534 5.096 50 10 GKCARN O=C1NC(=S)S/C1=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000002954779 570319804 /nfs/dbraw/zinc/31/98/04/570319804.db2.gz FACIGETZFCVXOL-ZSOIEALJSA-N 0 0 396.320 5.061 50 10 GKCARN Cc1ccc([C@H](NC(=O)COc2ccccc2)c2c(O)ccc3ccccc32)cc1 ZINC000002979461 570321942 /nfs/dbraw/zinc/32/19/42/570321942.db2.gz RKFIQRFDJACNFU-SANMLTNESA-N 0 0 397.474 5.138 50 10 GKCARN Clc1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Cl)cc4c3N2C[C@H]2CC=C[C@@H]42)cc1 ZINC000017265098 570322340 /nfs/dbraw/zinc/32/23/40/570322340.db2.gz NEVXFPDVXYJQFC-BSTKLLGTSA-N 0 0 394.345 6.888 50 10 GKCARN O=[N+]([O-])c1ccc([C@@H]2Nc3c(cc(Cl)cc3C(F)(F)F)[C@@H]3C=CC[C@@H]32)cc1 ZINC000002988034 570323721 /nfs/dbraw/zinc/32/37/21/570323721.db2.gz ZHIACMRMDZGQIZ-KEYYUXOJSA-N 0 0 394.780 6.094 50 10 GKCARN CN(C)c1ccc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1 ZINC000002994922 570324607 /nfs/dbraw/zinc/32/46/07/570324607.db2.gz RUHRGCJAJHVFIO-XSFVSMFZSA-N 0 0 390.533 5.312 50 10 GKCARN COc1ccc([C@H](NC(=O)C2CCCCC2)c2c(O)ccc3ccccc32)cc1 ZINC000002997990 570324845 /nfs/dbraw/zinc/32/48/45/570324845.db2.gz AOKXVRMFXRYFGO-DEOSSOPVSA-N 0 0 389.495 5.340 50 10 aggregator GKCARN CN(C)c1ccc(-c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)[nH]2)cc1 ZINC000002998787 570325218 /nfs/dbraw/zinc/32/52/18/570325218.db2.gz UCSZLJSTOUMSKG-UHFFFAOYSA-N 0 0 384.439 5.385 50 10 GKCARN Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(C(C)C)cc3)c(O)c2n1 ZINC000003003781 570325770 /nfs/dbraw/zinc/32/57/70/570325770.db2.gz QDVOKVIYOIYLAM-HSZRJFAPSA-N 0 0 383.495 5.969 50 10 GKCARN CCN1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S ZINC000003004458 570325809 /nfs/dbraw/zinc/32/58/09/570325809.db2.gz HXXUSTKVALVTRF-PTNGSMBKSA-N 0 0 377.575 5.208 50 10 GKCARN CCCc1sc(NCc2ccccc2O)nc1-c1ccc(OC)c(OC)c1 ZINC000006204900 570341613 /nfs/dbraw/zinc/34/16/13/570341613.db2.gz XVSIXJLQRZHTFI-UHFFFAOYSA-N 0 0 384.501 5.098 50 10 GKCARN O=C1c2ccccc2C(=O)C1(Nc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000003465295 570347207 /nfs/dbraw/zinc/34/72/07/570347207.db2.gz RDPNDAPJUFYKLN-UHFFFAOYSA-N 0 0 389.454 5.740 50 10 GKCARN CCOC(=O)c1cccc2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@H]21 ZINC000006246756 570348380 /nfs/dbraw/zinc/34/83/80/570348380.db2.gz XRQIUIMTDDJOAW-NJSLBKSFSA-N 0 0 398.300 5.452 50 10 GKCARN CCOc1ccc(N2C(=O)/C(=C\C(C)=C\c3ccccc3)SC2=S)cc1 ZINC000004853672 570348474 /nfs/dbraw/zinc/34/84/74/570348474.db2.gz WMLMOMKYIRQDLM-OIXOFKMYSA-N 0 0 381.522 5.437 50 10 GKCARN CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C(C)C)c(OCC)cc1C ZINC000100317546 570351727 /nfs/dbraw/zinc/35/17/27/570351727.db2.gz BQLAIFJLTOUHPE-CJLVFECKSA-N 0 0 390.527 6.103 50 10 GKCARN O=C1C(=CC=CC=CNc2ccccc2)SC(=S)N1Cc1ccccc1 ZINC000003877665 570353024 /nfs/dbraw/zinc/35/30/24/570353024.db2.gz 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5.732 50 10 GKCARN COc1ccc(NN=C2C=C(C(=O)Nc3ccccc3)C(=O)c3ccccc32)cc1 ZINC000004545590 570856863 /nfs/dbraw/zinc/85/68/63/570856863.db2.gz NHWBVICEMJIETP-CYYJNZCTSA-N 0 0 397.434 6.222 50 10 GKCARN Cc1noc2c1[C@@H](c1ccc(O)c(O)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000102718494 570860335 /nfs/dbraw/zinc/86/03/35/570860335.db2.gz QMANCMSIVKVTBV-QVKFZJNVSA-N 0 0 388.423 5.002 50 10 GKCARN CC(C)(C)c1noc2c1[C@H](c1ccc(O)c(O)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102753097 570862131 /nfs/dbraw/zinc/86/21/31/570862131.db2.gz ABDQVVGWAPQEDX-MRXNPFEDSA-N 0 0 382.460 5.233 50 10 GKCARN COc1ccc2c(c1)S[C@@H](c1ccccc1F)CCN2Cc1ccc(O)cc1 ZINC000014884868 570863402 /nfs/dbraw/zinc/86/34/02/570863402.db2.gz YUQMYNSVGPJHPN-JOCHJYFZSA-N 0 0 395.499 5.784 50 10 GKCARN Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccsc1 ZINC000102907355 570871480 /nfs/dbraw/zinc/87/14/80/570871480.db2.gz OBGGTHZXSLXUPC-FXAWDEMLSA-N 0 0 382.872 5.349 50 10 GKCARN Cc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3O)C2)cc1 ZINC000004729195 570884025 /nfs/dbraw/zinc/88/40/25/570884025.db2.gz NITYMXZFIUSRRK-GMAHTHKFSA-N 0 0 376.887 5.577 50 10 GKCARN CSc1ccc([C@H]2N=C(c3ccc(C)cc3)C[C@H](c3ccccc3O)N2)cc1 ZINC000004730063 570884529 /nfs/dbraw/zinc/88/45/29/570884529.db2.gz KQULRNPXZOHDRC-VWNXMTODSA-N 0 0 388.536 5.645 50 10 GKCARN CC1=CN2C(=NC(=O)/C(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)C2=N)S1 ZINC000003849542 570885028 /nfs/dbraw/zinc/88/50/28/570885028.db2.gz DHKAJJDZDDJBGJ-TVJXHFOGSA-N 0 0 383.860 5.075 50 10 GKCARN Cc1noc(CSc2ncc(-c3ccc(Cl)cc3)n2Cc2ccccc2)n1 ZINC000032895120 570886582 /nfs/dbraw/zinc/88/65/82/570886582.db2.gz SVONJIXUGJYQGL-UHFFFAOYSA-N 0 0 396.903 5.236 50 10 GKCARN Oc1ccc(Br)cc1[C@H]1Nc2ccccc2-c2nc3ccccc3n21 ZINC000012604463 570888313 /nfs/dbraw/zinc/88/83/13/570888313.db2.gz IBEDDXLCXHGHPW-FQEVSTJZSA-N 0 0 392.256 5.144 50 10 GKCARN COc1cc(NC(=O)c2cc(C)n(-c3ccccc3)c2C)c(OC)cc1Cl ZINC000022442587 570894709 /nfs/dbraw/zinc/89/47/09/570894709.db2.gz AUYMTXDRRHRNBM-UHFFFAOYSA-N 0 0 384.863 5.017 50 10 GKCARN COc1ccc(Br)cc1[C@@H]1Nc2c(F)cc(F)cc2[C@@H]2C=CC[C@H]21 ZINC000016293388 570921426 /nfs/dbraw/zinc/92/14/26/570921426.db2.gz DABIPKHAFYILJH-SNUQEOBHSA-N 0 0 392.243 5.562 50 10 GKCARN Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000001107005 570931235 /nfs/dbraw/zinc/93/12/35/570931235.db2.gz RBTZKNTVSHUSBV-ZRGWGRIASA-N 0 0 385.261 5.492 50 10 GKCARN Cc1cc(Br)c2c(c1C)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000004151463 570937068 /nfs/dbraw/zinc/93/70/68/570937068.db2.gz BVJAADNFOQHJMJ-MDZRGWNJSA-N 0 0 399.288 5.801 50 10 GKCARN CC(C)c1ccc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc1 ZINC000017145948 570942307 /nfs/dbraw/zinc/94/23/07/570942307.db2.gz CIASTFFVQTXWOK-SABKFZPKSA-N 0 0 380.517 5.009 50 10 GKCARN CN(C)c1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000017185959 570942748 /nfs/dbraw/zinc/94/27/48/570942748.db2.gz PUZGTXWEUPXOKE-STZFKDTASA-N 0 0 388.492 5.142 50 10 GKCARN COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21 ZINC000012630607 570948003 /nfs/dbraw/zinc/94/80/03/570948003.db2.gz LSGBAOYLKDLXLX-MBOZVWFJSA-N 0 0 398.300 5.371 50 10 GKCARN Cc1cccn2c(Nc3ccccc3C)c(-c3ccc(Br)o3)nc12 ZINC000004733728 570948047 /nfs/dbraw/zinc/94/80/47/570948047.db2.gz CJFVQNOLQFBWSF-UHFFFAOYSA-N 0 0 382.261 5.717 50 10 GKCARN Cc1ccn2c(c1)nc(-c1ccc(Br)o1)c2Nc1ccccc1C ZINC000004733755 570948076 /nfs/dbraw/zinc/94/80/76/570948076.db2.gz FQAPUMKICKPOGF-UHFFFAOYSA-N 0 0 382.261 5.717 50 10 GKCARN Cc1ccc(-c2nc3ccc(Br)cn3c2Nc2ccccc2C)o1 ZINC000004733886 570948396 /nfs/dbraw/zinc/94/83/96/570948396.db2.gz GYGGNKMRYBOKFH-UHFFFAOYSA-N 0 0 382.261 5.717 50 10 GKCARN CCOc1ccc(N2C(=O)/C(=C/C(C)=C\c3ccccc3)SC2=S)cc1 ZINC000033286030 570954623 /nfs/dbraw/zinc/95/46/23/570954623.db2.gz WMLMOMKYIRQDLM-BRNLPKLHSA-N 0 0 381.522 5.437 50 10 GKCARN COc1ccc(N2COc3c(C)c4oc(=O)cc(-c5ccccc5)c4cc3C2)cc1 ZINC000002123143 570957031 /nfs/dbraw/zinc/95/70/31/570957031.db2.gz JXLJPEBZYBZUNU-UHFFFAOYSA-N 0 0 399.446 5.134 50 10 biogenic GKCARN COc1ccc2ccccc2c1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000004748405 570959405 /nfs/dbraw/zinc/95/94/05/570959405.db2.gz WDAKGMYLSTYOLL-CYYJNZCTSA-N 0 0 381.435 6.516 50 10 GKCARN O=C1c2ccccc2-c2onc3c2c1c(NCc1ccco1)cc3Br ZINC000004744362 570960031 /nfs/dbraw/zinc/96/00/31/570960031.db2.gz UKHHHFZTERATCI-UHFFFAOYSA-N 0 0 395.212 5.007 50 10 GKCARN O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1Cc1ccccc1Cl ZINC000002533552 570965732 /nfs/dbraw/zinc/96/57/32/570965732.db2.gz PFTRJNCEHZFABT-ZDLGFXPLSA-N 0 0 399.924 5.060 50 10 GKCARN CC(=O)Nc1cccc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)c1C ZINC000098097762 570997240 /nfs/dbraw/zinc/99/72/40/570997240.db2.gz PWKWTUGHKJUEJS-UHFFFAOYSA-N 0 0 395.890 5.267 50 10 GKCARN Oc1ccc(Cl)cc1C1=NN(c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000004808340 570997292 /nfs/dbraw/zinc/99/72/92/570997292.db2.gz ZWDHVCLAPIPKIO-HXUWFJFHSA-N 0 0 383.278 6.055 50 10 GKCARN COc1cccc2cc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)c(=O)oc21 ZINC000004814887 571047641 /nfs/dbraw/zinc/04/76/41/571047641.db2.gz QANUKPJRVFKTOU-OCEACIFDSA-N 0 0 399.406 5.469 50 10 GKCARN Cc1ccc(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)cc1C ZINC000001811615 230823260 /nfs/dbraw/zinc/82/32/60/230823260.db2.gz VZJIDZUAIBCLMJ-MOSHPQCFSA-N 0 0 375.518 5.862 50 10 GKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/C2=Cc3ccccc3O[C@H]2C)SC1=S ZINC000016733503 210195581 /nfs/dbraw/zinc/19/55/81/210195581.db2.gz CLKPZNNXHBGZBL-YIGQXFKFSA-N 0 0 393.533 5.356 50 10 GKCARN CCOc1ccc(N2C(=O)/C(=C(\C)c3ccc(C)c(C)c3)SC2=S)cc1 ZINC000016712288 210195267 /nfs/dbraw/zinc/19/52/67/210195267.db2.gz WCXXABGCQGPMFT-CYVLTUHYSA-N 0 0 383.538 5.498 50 10 GKCARN Cc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000016192879 210187038 /nfs/dbraw/zinc/18/70/38/210187038.db2.gz MKABJIWGQZFVSC-NVNXTCNLSA-N 0 0 380.321 5.708 50 10 GKCARN O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21 ZINC000016157464 210185570 /nfs/dbraw/zinc/18/55/70/210185570.db2.gz QZQQJAYREODZAK-ZRCGQRJVSA-N 0 0 385.894 6.398 50 10 GKCARN O=C1/C(=C\c2ccccc2C(F)(F)F)SC(=S)N1Cc1ccccc1 ZINC000015011941 210143863 /nfs/dbraw/zinc/14/38/63/210143863.db2.gz KGBHLWBZJFUGLR-XNTDXEJSSA-N 0 0 379.428 5.107 50 10 GKCARN Cc1ccnc(N[C@H](c2cccc(Cl)c2)c2ccc3ccc(C)nc3c2O)c1 ZINC000015016658 210143484 /nfs/dbraw/zinc/14/34/84/210143484.db2.gz KJAOWXWSRYJKIM-OAQYLSRUSA-N 0 0 389.886 5.807 50 10 GKCARN COc1ccc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)cc1Cl ZINC000015011119 210142391 /nfs/dbraw/zinc/14/23/91/210142391.db2.gz WSRJBKLZISZIJV-WJDWOHSUSA-N 0 0 381.950 5.130 50 10 GKCARN CC(=O)Oc1c2ccccc2c2nc3ccccc3nc2c1-c1ccc(C)cc1 ZINC000013943711 210096551 /nfs/dbraw/zinc/09/65/51/210096551.db2.gz VXHFUDZOGKUMSN-UHFFFAOYSA-N 0 0 378.431 5.837 50 10 GKCARN COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc12 ZINC000013602839 210072063 /nfs/dbraw/zinc/07/20/63/210072063.db2.gz CMGYMTLSOQLHCE-UYRXBGFRSA-N 0 0 377.490 5.254 50 10 GKCARN CCOc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000013601325 210071061 /nfs/dbraw/zinc/07/10/61/210071061.db2.gz JYOYGMSODYTBKW-YBEGLDIGSA-N 0 0 375.902 5.145 50 10 GKCARN COc1ccccc1-n1c(C)cc(CNC(=O)Nc2cccc(Cl)c2)c1C ZINC000009228863 209819460 /nfs/dbraw/zinc/81/94/60/209819460.db2.gz KDZCATRVIBGFRZ-UHFFFAOYSA-N 0 0 383.879 5.078 50 10 GKCARN Cc1cc(CNC(=O)Nc2ccc(C)c(F)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000009228602 209818886 /nfs/dbraw/zinc/81/88/86/209818886.db2.gz IGZQTDFMYUDQAJ-UHFFFAOYSA-N 0 0 385.870 5.517 50 10 GKCARN CCOc1ccc(-n2c(C)cc(C(=O)CSc3nc(C)cs3)c2C)cc1 ZINC000008394426 209779028 /nfs/dbraw/zinc/77/90/28/209779028.db2.gz VNZHYVXPFCMVJH-UHFFFAOYSA-N 0 0 386.542 5.233 50 10 GKCARN Cc1cc2n(n1)[C@H](c1cc(C(C)(C)C)c(O)cc1O)Nc1c(C)cc(C)cc1-2 ZINC000006044067 209626817 /nfs/dbraw/zinc/62/68/17/209626817.db2.gz GOYLCZYZRPNXPH-JOCHJYFZSA-N 0 0 377.488 5.156 50 10 GKCARN CCCCCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S ZINC000005502653 209598534 /nfs/dbraw/zinc/59/85/34/209598534.db2.gz INRUINKIQWTDOY-XDJHFCHBSA-N 0 0 383.538 5.870 50 10 GKCARN COc1ccccc1Nc1cc(C(F)(F)F)nc2c(OC)ccc(OC)c12 ZINC000004872936 209537776 /nfs/dbraw/zinc/53/77/76/209537776.db2.gz OBDNSCNXANIPPW-UHFFFAOYSA-N 0 0 378.350 5.023 50 10 GKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)cc3)N=C2c2ccccc2)cc1 ZINC000004811386 209527975 /nfs/dbraw/zinc/52/79/75/209527975.db2.gz FMFHRIDWAXISOU-ULJHMMPZSA-N 0 0 396.490 5.617 50 10 GKCARN O=C1c2ccccc2C(=O)c2c(/N=N\N(O)c3ccccc3)ccc(Cl)c21 ZINC000004535816 209494625 /nfs/dbraw/zinc/49/46/25/209494625.db2.gz FXKGQEAOKLFWON-FCQUAONHSA-N 0 0 377.787 5.010 50 10 GKCARN CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000004406194 209485215 /nfs/dbraw/zinc/48/52/15/209485215.db2.gz MSASTMHEDHIUQX-KNKQGSTJSA-N 0 0 381.903 5.979 50 10 GKCARN Cc1ccc([C@@H](NC(=O)Cc2ccccc2)c2c(O)ccc3ccccc32)cc1 ZINC000002870022 209393323 /nfs/dbraw/zinc/39/33/23/209393323.db2.gz XMPAUTHIHVYEGJ-AREMUKBSSA-N 0 0 381.475 5.302 50 10 GKCARN CC(C)(C)c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000002549294 209370036 /nfs/dbraw/zinc/37/00/36/209370036.db2.gz YSFRTMGRNASTTK-SFQUDFHCSA-N 0 0 387.957 6.043 50 10 GKCARN CC(C)Oc1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 ZINC000002470463 209367175 /nfs/dbraw/zinc/36/71/75/209367175.db2.gz LIQUBTUWBFWXRU-JOCHJYFZSA-N 0 0 385.467 5.324 50 10 GKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S ZINC000002696767 209378104 /nfs/dbraw/zinc/37/81/04/209378104.db2.gz BPHPKWBWVYSXFD-RERGGYADSA-N 0 0 378.519 5.012 50 10 GKCARN CC[C@H](C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000002673135 209377286 /nfs/dbraw/zinc/37/72/86/209377286.db2.gz DGKPGJJKOXILRN-CCNLRRDASA-N 0 0 383.538 5.265 50 10 GKCARN CCOc1ccccc1NC(=S)NNc1cc(C(F)(F)F)ccc1Cl ZINC000002649855 209375623 /nfs/dbraw/zinc/37/56/23/209375623.db2.gz YNPNHMQTRSHUFT-UHFFFAOYSA-N 0 0 389.830 5.071 50 10 GKCARN O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1c1ccccc1 ZINC000002029814 209343673 /nfs/dbraw/zinc/34/36/73/209343673.db2.gz UVYXYILUAPXGIR-HKWRFOASSA-N 0 0 389.501 5.885 50 10 GKCARN CCOc1cccc2c1O[C@H](c1cccs1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000010215895 209321776 /nfs/dbraw/zinc/32/17/76/209321776.db2.gz DVGJRPMQFOVWIW-VGOFRKELSA-N 0 0 392.480 5.095 50 10 GKCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000001461861 209329787 /nfs/dbraw/zinc/32/97/87/209329787.db2.gz ZLKQTLDMIYDCCR-MBOZVWFJSA-N 0 0 398.300 5.452 50 10 GKCARN CCN1C(=O)/C(=C/c2cccc(OCc3ccccc3Cl)c2)SC1=S ZINC000001206786 209313636 /nfs/dbraw/zinc/31/36/36/209313636.db2.gz DBRXMNCQWPAUNZ-BOPFTXTBSA-N 0 0 389.929 5.140 50 10 GKCARN Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccccc3Cl)c(O)c2n1 ZINC000001159790 209309026 /nfs/dbraw/zinc/30/90/26/209309026.db2.gz PEXQTMGRJKPKCN-NRFANRHFSA-N 0 0 375.859 5.499 50 10 GKCARN COc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1 ZINC000001175627 209310204 /nfs/dbraw/zinc/31/02/04/209310204.db2.gz CXMWFHQRSZTHFO-CPNJWEJPSA-N 0 0 377.490 5.254 50 10 GKCARN O=C1/C(=C/c2ccc(-c3ccccc3)o2)SC(=S)N1c1cccc(F)c1 ZINC000001135914 209305762 /nfs/dbraw/zinc/30/57/62/209305762.db2.gz IQWBQRUXMQVLLG-PDGQHHTCSA-N 0 0 381.453 5.492 50 10 GKCARN COc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000001136185 209305360 /nfs/dbraw/zinc/30/53/60/209305360.db2.gz VZDYQHXKHPVBBP-SXGWCWSVSA-N 0 0 375.902 5.063 50 10 GKCARN COc1ccc(NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)c2C)cc1 ZINC000001046820 209292499 /nfs/dbraw/zinc/29/24/99/209292499.db2.gz SADCCVAYSRPGBM-UHFFFAOYSA-N 0 0 382.463 5.714 50 10 GKCARN COc1ccc(C(=O)CNc2ccc(Oc3cccc4ccccc43)cc2)cc1 ZINC000000986131 209285935 /nfs/dbraw/zinc/28/59/35/209285935.db2.gz KFDDQYWRCATZAU-UHFFFAOYSA-N 0 0 383.447 5.936 50 10 GKCARN O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1Cc1ccccc1 ZINC000000987467 209285605 /nfs/dbraw/zinc/28/56/05/209285605.db2.gz DZACPZRRRNURED-UNOMPAQXSA-N 0 0 395.480 5.487 50 10 GKCARN Nc1ccc(Oc2ccc3sc4ccc(Oc5ccc(N)cc5)cc4c3c2)cc1 ZINC000000973133 209285245 /nfs/dbraw/zinc/28/52/45/209285245.db2.gz RYMYYWYMRYREMB-UHFFFAOYSA-N 0 0 398.487 6.804 50 10 GKCARN CCCC(=O)N[C@H](c1ccccc1Cl)c1cc(Cl)c2cccnc2c1O ZINC000000801099 209266446 /nfs/dbraw/zinc/26/64/46/209266446.db2.gz 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O=C1c2ccccc2C(=O)C1(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001065271 212212870 /nfs/dbraw/zinc/21/28/70/212212870.db2.gz VKWGICIXIFXGLW-UHFFFAOYSA-N 0 0 381.258 5.553 50 10 GKCARN FC(F)(F)c1cc(NC(=S)NNc2ccccc2)cc(C(F)(F)F)c1 ZINC000001045629 212210148 /nfs/dbraw/zinc/21/01/48/212210148.db2.gz CEBMPGAEJYCIAT-UHFFFAOYSA-N 0 0 379.329 5.038 50 10 GKCARN CCCC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O ZINC000000869232 212191746 /nfs/dbraw/zinc/19/17/46/212191746.db2.gz VUZPLTKIMHSUFJ-IBGZPJMESA-N 0 0 389.282 5.253 50 10 GKCARN Nc1ccc(Oc2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1 ZINC000000826727 212187074 /nfs/dbraw/zinc/18/70/74/212187074.db2.gz UEGAZOOLTJULBA-UHFFFAOYSA-N 0 0 391.434 5.128 50 10 GKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000017993887 212104940 /nfs/dbraw/zinc/10/49/40/212104940.db2.gz VVDCHNRWLNMVPS-WCWDXBQESA-N 0 0 379.351 5.793 50 10 GKCARN COc1ccc2c(c1)S[C@@H](c1ccccc1OC)CCN2Cc1cccs1 ZINC000299765950 212033139 /nfs/dbraw/zinc/03/31/39/212033139.db2.gz 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/nfs/dbraw/zinc/01/92/50/204019250.db2.gz NIRMQQRFECUJJU-SXGWCWSVSA-N 0 0 394.348 6.016 50 10 GKCARN S=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(c2ccccc2)CC1 ZINC000004063187 204025639 /nfs/dbraw/zinc/02/56/39/204025639.db2.gz VXFQPAGIJSYMDU-UHFFFAOYSA-N 0 0 382.916 5.098 50 10 GKCARN Cc1ccccc1OCCn1cc(/C=C2/C(=O)Nc3ccccc32)c2ccccc21 ZINC000004169017 204030085 /nfs/dbraw/zinc/03/00/85/204030085.db2.gz WIHINNNQTPTDHF-CJLVFECKSA-N 0 0 394.474 5.521 50 10 GKCARN COc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc1 ZINC000004178224 204031384 /nfs/dbraw/zinc/03/13/84/204031384.db2.gz BFPBMCYGOUABQS-JOCHJYFZSA-N 0 0 385.467 5.162 50 10 GKCARN Cc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3O)C2)cc1 ZINC000004729196 204069074 /nfs/dbraw/zinc/06/90/74/204069074.db2.gz NITYMXZFIUSRRK-JTHBVZDNSA-N 0 0 376.887 5.577 50 10 GKCARN CCCCCC[C@]1(C)N=C(c2ccc(Cl)cc2)C[C@@H](c2ccccc2O)N1 ZINC000004729861 204070058 /nfs/dbraw/zinc/07/00/58/204070058.db2.gz QYHFSKBMZCWCKC-JTHBVZDNSA-N 0 0 384.951 6.256 50 10 GKCARN Cc1cccc(Nc2cc(N3CCCC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000004817149 204078310 /nfs/dbraw/zinc/07/83/10/204078310.db2.gz QKIJNAJVZLEFTL-UHFFFAOYSA-N 0 0 395.462 5.691 50 10 GKCARN Oc1ccc(Cl)cc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000004853950 204082899 /nfs/dbraw/zinc/08/28/99/204082899.db2.gz YPXIZQUBWWUPJV-DENIHFKCSA-N 0 0 376.843 5.288 50 10 GKCARN Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 ZINC000004854857 204083191 /nfs/dbraw/zinc/08/31/91/204083191.db2.gz XGVGBWLRNCTBIB-YZVOILCLSA-N 0 0 385.261 5.492 50 10 GKCARN CC(C)c1ccc(-n2c(-c3ccc(Cl)cc3)cc3c2CC(C)(C)CC3=O)cc1 ZINC000004885035 204086917 /nfs/dbraw/zinc/08/69/17/204086917.db2.gz LGKLRFPIMSNHPZ-UHFFFAOYSA-N 0 0 391.942 7.076 50 10 GKCARN O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21 ZINC000004501949 204048564 /nfs/dbraw/zinc/04/85/64/204048564.db2.gz QZQQJAYREODZAK-SXWKCWPCSA-N 0 0 385.894 6.398 50 10 GKCARN COc1ccc2oc(=O)c(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)cc2c1 ZINC000004537251 204050919 /nfs/dbraw/zinc/05/09/19/204050919.db2.gz UMRLNAMTYHKLJD-OCEACIFDSA-N 0 0 399.406 5.469 50 10 GKCARN O=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1c1ccccc1 ZINC000004579629 204054790 /nfs/dbraw/zinc/05/47/90/204054790.db2.gz SUQFKBGRHVEXCJ-LDADJPATSA-N 0 0 381.453 5.492 50 10 GKCARN Cc1ccc(C)n1-c1cc(C23CC4CC(CC(C4)C2)C3)ccc1Br ZINC000004620825 204058694 /nfs/dbraw/zinc/05/86/94/204058694.db2.gz NUOYDZXJDHGLBB-UHFFFAOYSA-N 0 0 384.361 6.324 50 10 GKCARN COc1ccc([C@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)cc1 ZINC000004631200 204058988 /nfs/dbraw/zinc/05/89/88/204058988.db2.gz AZRSNEKCPHXKFJ-QFIPXVFZSA-N 0 0 385.467 5.162 50 10 GKCARN FC(F)(F)c1ccccc1[C@@H]1Nc2c(Cl)c(Cl)ccc2[C@H]2C=CC[C@@H]21 ZINC000004689311 204064095 /nfs/dbraw/zinc/06/40/95/204064095.db2.gz QYSMKNMMLMUFOC-PSVSLLHZSA-N 0 0 384.228 6.839 50 10 GKCARN COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)SC2=S)cc1 ZINC000005170461 204116167 /nfs/dbraw/zinc/11/61/67/204116167.db2.gz QWZSRBJTPDNHQV-OQLLNIDSSA-N 0 0 396.320 5.408 50 10 GKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000005174106 204116305 /nfs/dbraw/zinc/11/63/05/204116305.db2.gz RDHDHKMKMPERNY-XDJHFCHBSA-N 0 0 387.866 5.820 50 10 GKCARN O=[N+]([O-])c1cccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@@H]32)c1 ZINC000004993773 204100615 /nfs/dbraw/zinc/10/06/15/204100615.db2.gz GWTIDZVWFXMAEX-ZQIUZPCESA-N 0 0 389.224 5.323 50 10 GKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S ZINC000005050329 204106903 /nfs/dbraw/zinc/10/69/03/204106903.db2.gz FEEFCTKLLPKECQ-FFCYNSPCSA-N 0 0 377.893 5.442 50 10 GKCARN O=C1N=C(Nc2ccccc2Cl)SC1=Cc1ccc(-c2ccccc2)o1 ZINC000005874785 204155624 /nfs/dbraw/zinc/15/56/24/204155624.db2.gz QKQVJYUQFUPOGX-LDADJPATSA-N 0 0 380.856 5.682 50 10 GKCARN CCCCCCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S ZINC000005502047 204135853 /nfs/dbraw/zinc/13/58/53/204135853.db2.gz RCWWKGADCAWOPK-CAPFRKAQSA-N 0 0 397.565 6.260 50 10 GKCARN CN(C)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000005569763 204139981 /nfs/dbraw/zinc/13/99/81/204139981.db2.gz HQCKEOFGWSJNCL-SIKLNZKXSA-N 0 0 393.874 5.241 50 10 GKCARN CC(C)CNc1cc(N2CCCCCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006737910 204196812 /nfs/dbraw/zinc/19/68/12/204196812.db2.gz HALLECAWFVYBAO-UHFFFAOYSA-N 0 0 389.499 5.488 50 10 GKCARN O=C(c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1)N1CCCCC1 ZINC000006750672 204199873 /nfs/dbraw/zinc/19/98/73/204199873.db2.gz RTMVCNNGJCHDKF-UHFFFAOYSA-N 0 0 384.523 5.649 50 10 GKCARN CCOc1cccc([C@H]2Nc3ccccc3C(=O)N2[C@@H](C)c2ccccc2)c1O ZINC000008725850 204286506 /nfs/dbraw/zinc/28/65/06/204286506.db2.gz ZIYUILWELWYFTR-HJPURHCSSA-N 0 0 388.467 5.119 50 10 GKCARN Cc1ccc(C)c(NCN2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)c1 ZINC000020073056 204700853 /nfs/dbraw/zinc/70/08/53/204700853.db2.gz OVGBKMDBEKHWEQ-UDWIEESQSA-N 0 0 396.581 5.698 50 10 GKCARN CN(C)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000025572907 204834176 /nfs/dbraw/zinc/83/41/76/204834176.db2.gz IWEYTFCIUJKEMZ-VWNXMTODSA-N 0 0 387.458 5.134 50 10 GKCARN Cc1cc(N2Cc3ccccc3C2)ccc1/N=N/c1ccc(Br)cc1 ZINC000004774687 209140246 /nfs/dbraw/zinc/14/02/46/209140246.db2.gz WRCZRWGIGHGKKA-WCWDXBQESA-N 0 0 392.300 6.693 50 10 GKCARN COc1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1NN=C1C=CC(=O)C=C1 ZINC000005732704 209124975 /nfs/dbraw/zinc/12/49/75/209124975.db2.gz PTIVACHGVHIMMK-DQPVQCHKSA-N 0 0 377.360 6.140 50 10 GKCARN Cc1cc(C(=O)Nc2ccc(Oc3ncccn3)cc2)c(C)n1-c1cccc(C)c1 ZINC000065158150 205214844 /nfs/dbraw/zinc/21/48/44/205214844.db2.gz WYCAQOFWGBTPOI-UHFFFAOYSA-N 0 0 398.466 5.237 50 10 GKCARN CN(Cc1c(O)ccc2ccccc21)[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000084321962 205393673 /nfs/dbraw/zinc/39/36/73/205393673.db2.gz AVACYRUUXFEQEK-QFIPXVFZSA-N 0 0 391.902 5.154 50 10 GKCARN O=C1c2ccccc2C(=O)C1C1=C[C@@H](c2ccccc2)[C@@H](c2ccccc2)N=N1 ZINC000100561193 205608688 /nfs/dbraw/zinc/60/86/88/205608688.db2.gz KIYHLVSJGSNBEX-NZQKXSOJSA-N 0 0 378.431 5.557 50 10 GKCARN O=C1N=C(N2CCCCCC2)S/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000001801501 205714155 /nfs/dbraw/zinc/71/41/55/205714155.db2.gz WVUWWEUKDAWWFD-LTGZKZEYSA-N 0 0 392.524 5.112 50 10 GKCARN O=C(Nc1ccc(Cl)cc1)c1nc[nH]c1N=Nc1c(O)ccc2ccccc21 ZINC000004817962 206214931 /nfs/dbraw/zinc/21/49/31/206214931.db2.gz TVLLUWWNOWJHMF-OCEACIFDSA-N 0 0 391.818 5.590 50 10 GKCARN CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000000646148 206312170 /nfs/dbraw/zinc/31/21/70/206312170.db2.gz CZGLGEGNYDKASX-XQBPLPMBSA-N 0 0 380.919 5.649 50 10 GKCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000000759494 206320385 /nfs/dbraw/zinc/32/03/85/206320385.db2.gz CUZQOORVLPUEMQ-SIFCLUCFSA-N 0 0 388.294 5.997 50 10 GKCARN O=C(Nc1ccc(Oc2cccc3ccccc32)cc1)c1ccccc1[N+](=O)[O-] ZINC000001150721 206359532 /nfs/dbraw/zinc/35/95/32/206359532.db2.gz PYHCWJQZRDHLFY-UHFFFAOYSA-N 0 0 384.391 5.793 50 10 GKCARN CCCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000001144762 206359704 /nfs/dbraw/zinc/35/97/04/206359704.db2.gz BTKHWOGQAMSKKA-DHDCSXOGSA-N 0 0 398.336 5.865 50 10 GKCARN O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1CCc1ccccc1 ZINC000001189320 206365089 /nfs/dbraw/zinc/36/50/89/206365089.db2.gz NLPVAYPABICZAQ-HKWRFOASSA-N 0 0 375.518 5.284 50 10 GKCARN CN1C(=O)/C(=C/c2cccc(OCc3cccc4ccccc43)c2)SC1=S ZINC000001193817 206365577 /nfs/dbraw/zinc/36/55/77/206365577.db2.gz HKNLBXZUHQGCQP-MOSHPQCFSA-N 0 0 391.517 5.250 50 10 GKCARN COc1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)c1 ZINC000001236382 206370741 /nfs/dbraw/zinc/37/07/41/206370741.db2.gz WIIFWRBELVAUJR-CHHVJCJISA-N 0 0 396.320 5.408 50 10 GKCARN CC(C)OP(=O)(OC(C)C)[C@@H](Nc1ccc(N)cc1)c1cccc(N)c1 ZINC000001766450 206391490 /nfs/dbraw/zinc/39/14/90/206391490.db2.gz ZNFVEGXOOKOIMO-LJQANCHMSA-N 0 0 377.425 5.005 50 10 GKCARN O=C(N[C@@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc21)c1ccccc1 ZINC000002063572 206397544 /nfs/dbraw/zinc/39/75/44/206397544.db2.gz UXSDXPQORHVTIJ-QHCPKHFHSA-N 0 0 387.866 5.718 50 10 aggregator GKCARN CCOc1cccc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)c1 ZINC000002095017 206398970 /nfs/dbraw/zinc/39/89/70/206398970.db2.gz KGZSXOLZAURDIX-HSZRJFAPSA-N 0 0 399.494 5.552 50 10 GKCARN COc1ccc(NC(=O)N2c3cc(C)c(C)cc3C(C)=CC2(C)C)cc1OC ZINC000002201580 206402014 /nfs/dbraw/zinc/40/20/14/206402014.db2.gz XNWPSJADYNTNIP-UHFFFAOYSA-N 0 0 380.488 5.555 50 10 GKCARN Cc1ccc(NC=CC=CC=C2SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000004042567 206500168 /nfs/dbraw/zinc/50/01/68/206500168.db2.gz SQSBJIRYDGSOAX-DZNASLNGSA-N 0 0 392.549 5.421 50 10 GKCARN Fc1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000004168309 206506218 /nfs/dbraw/zinc/50/62/18/206506218.db2.gz KDVZVOLEWSBLRS-SLSDLSHTSA-N 0 0 387.523 6.945 50 10 GKCARN NC(=O)c1cc([N+](=O)[O-])cc2c1C=Cc1cc(/N=N/c3ccccc3)ccc1O2 ZINC000004698281 206543724 /nfs/dbraw/zinc/54/37/24/206543724.db2.gz OPQOIOXZJXENQX-WCWDXBQESA-N 0 0 386.367 5.385 50 10 GKCARN Cc1ccc(NC2=NC(=O)C(=Cc3ccc(Br)cc3)S2)cc1C ZINC000004794860 206555033 /nfs/dbraw/zinc/55/50/33/206555033.db2.gz ASFUDTRYNZRUKB-MHWRWJLKSA-N 0 0 387.302 5.148 50 10 GKCARN O=C1/C(=C\C=C\c2ccccc2Cl)SC(=S)N1c1cccc(Cl)c1 ZINC000004838785 206559900 /nfs/dbraw/zinc/55/99/00/206559900.db2.gz OZMVDOZKUSZYAI-BOPDVPAVSA-N 0 0 392.332 5.955 50 10 GKCARN CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000004844813 206561848 /nfs/dbraw/zinc/56/18/48/206561848.db2.gz PCSFGONBZQAHOM-DXIQSLLYSA-N 0 0 392.455 5.234 50 10 GKCARN CCCCC(=O)N[C@H](c1ccc(C(C)C)cc1)c1ccc2cccnc2c1O ZINC000004957186 206576641 /nfs/dbraw/zinc/57/66/41/206576641.db2.gz SXKDUVDASYEAQZ-JOCHJYFZSA-N 0 0 376.500 5.460 50 10 GKCARN CCCN1C(=O)/C(=C/C=C2/Sc3ccccc3N2CCC)SC1=S ZINC000100101617 211381535 /nfs/dbraw/zinc/38/15/35/211381535.db2.gz XXGMGDNVZLBNBF-CKOAPEAFSA-N 0 0 376.572 5.004 50 10 GKCARN Oc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000072332607 211091269 /nfs/dbraw/zinc/09/12/69/211091269.db2.gz XCTBHBDMOWXGHC-SIKLNZKXSA-N 0 0 376.843 5.288 50 10 GKCARN COc1ccc2c(c1)S[C@@H](c1cccc(F)c1)CCN2Cc1nc(C)c[nH]1 ZINC000011911756 206841375 /nfs/dbraw/zinc/84/13/75/206841375.db2.gz JGYWJSVVBITZOW-LJQANCHMSA-N 0 0 383.492 5.110 50 10 GKCARN Fc1ccc(/N=N/c2c(-c3ccc(Br)cc3)cc3ccccn32)cc1 ZINC000012346197 206889282 /nfs/dbraw/zinc/88/92/82/206889282.db2.gz QLRKQCNLQHHZTQ-WCWDXBQESA-N 0 0 394.247 6.923 50 10 GKCARN Cc1cc(C(=O)COc2c(Cl)cccc2Cl)c(C)n1-c1ccccn1 ZINC000048248651 210848610 /nfs/dbraw/zinc/84/86/10/210848610.db2.gz ZWNDLDIBLVMYJK-UHFFFAOYSA-N 0 0 375.255 5.058 50 10 GKCARN Cc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c(C)n1-c1cccc2ccccc21 ZINC000013810718 207000559 /nfs/dbraw/zinc/00/05/59/207000559.db2.gz OEIZCZDKICNJHW-YNUQAMOLSA-N 0 0 398.491 5.024 50 10 GKCARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000014010482 207007735 /nfs/dbraw/zinc/00/77/35/207007735.db2.gz TYDMRJJAEMRXAM-JCMHNJIXSA-N 0 0 389.495 5.386 50 10 GKCARN Cc1cc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccc(C)cc1 ZINC000015728507 207057150 /nfs/dbraw/zinc/05/71/50/207057150.db2.gz DLVNXFBOVJQCHE-UHFFFAOYSA-N 0 0 391.559 5.171 50 10 GKCARN CCCCN1C(=O)/C(=C\C=C2/Sc3cc(C)ccc3N2CC)SC1=S ZINC000015938457 207067887 /nfs/dbraw/zinc/06/78/87/207067887.db2.gz LWUQEKCUYVEUPO-SHHJDNOCSA-N 0 0 390.599 5.313 50 10 GKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C/C2=Cc3ccccc3O[C@H]2C)SC1=S ZINC000016733509 207077328 /nfs/dbraw/zinc/07/73/28/207077328.db2.gz CLKPZNNXHBGZBL-KOEWNKMCSA-N 0 0 393.533 5.356 50 10 GKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1sc2ccccc2c1Cl ZINC000018120242 207094601 /nfs/dbraw/zinc/09/46/01/207094601.db2.gz LPHZQHFGRVYQAM-OCOZRVBESA-N 0 0 391.883 7.222 50 10 GKCARN C1=C[C@@H]2c3ccc4ccccc4c3N[C@H](c3ccc(OC4CSC4)cc3)[C@@H]2C1 ZINC000019891422 207168737 /nfs/dbraw/zinc/16/87/37/207168737.db2.gz NABCRLYCYNWQGM-WMTXJRDZSA-N 0 0 385.532 6.161 50 10 GKCARN COc1ccccc1NC(=O)c1cc(C)n(-c2cc(Cl)ccc2OC)c1C ZINC000020815933 207215491 /nfs/dbraw/zinc/21/54/91/207215491.db2.gz CYQBAJGLRCILFZ-UHFFFAOYSA-N 0 0 384.863 5.017 50 10 GKCARN Cc1ccc(C2=N[C@@H](c3c(F)cccc3Cl)N[C@@H](c3ccccc3O)C2)cc1 ZINC000020765171 207213133 /nfs/dbraw/zinc/21/31/33/207213133.db2.gz BFGIXDHPYXCMMC-NFBKMPQASA-N 0 0 394.877 5.716 50 10 GKCARN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 ZINC000059267098 207784244 /nfs/dbraw/zinc/78/42/44/207784244.db2.gz YZTJKXQLGGNVAF-LAPQFRIASA-N 0 0 398.300 5.371 50 10 GKCARN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000059267101 207785145 /nfs/dbraw/zinc/78/51/45/207785145.db2.gz FHZOQPDFTUUOAY-QINHECLXSA-N 0 0 398.300 5.371 50 10 GKCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Cl)c(Cl)c1 ZINC000095471580 208190964 /nfs/dbraw/zinc/19/09/64/208190964.db2.gz BDIQOELWEKHISS-ZROIWOOFSA-N 0 0 380.662 5.365 50 10 GKCARN Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000101141961 208388386 /nfs/dbraw/zinc/38/83/86/208388386.db2.gz BIORLBXGJKUVSB-VGTOOOLASA-N 0 0 385.121 7.127 50 10 GKCARN CC(C)(C)c1cc([C@@H](c2ccccc2O)N2CCOCC2)cc(C(C)(C)C)c1O ZINC000020840272 210362184 /nfs/dbraw/zinc/36/21/84/210362184.db2.gz GYYGKFKKUKBBRU-QFIPXVFZSA-N 0 0 397.559 5.114 50 10 GKCARN Cc1ccc(C2=N[C@H](c3ccccc3Cl)N[C@@H](c3ccccc3O)C2)cc1 ZINC000020762879 210360266 /nfs/dbraw/zinc/36/02/66/210360266.db2.gz QSEFKOXYLBVSKL-GGAORHGYSA-N 0 0 376.887 5.577 50 10 GKCARN CCNc1cc(Nc2cc(C)ccc2C)c2c3c1noc3-c1ccccc1C2=O ZINC000020322436 210327246 /nfs/dbraw/zinc/32/72/46/210327246.db2.gz HGRMOTNNXHLBHG-UHFFFAOYSA-N 0 0 383.451 5.831 50 10 GKCARN CC1=NN(c2ccccc2C)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1 ZINC000020068874 210314064 /nfs/dbraw/zinc/31/40/64/210314064.db2.gz UOHPUYSCOHUDOT-XQNSMLJCSA-N 0 0 382.463 5.380 50 10 GKCARN CC1CC[NH+](Cc2c([O-])ccc3c(=O)c(-c4ccc(Cl)cc4)coc32)CC1 ZINC000019787296 210294536 /nfs/dbraw/zinc/29/45/36/210294536.db2.gz AHFGBDXCYPJGGJ-UHFFFAOYSA-N 0 0 383.875 5.051 50 10 biogenic GKCARN Cc1c(Cl)cccc1NC1=NC(=O)C(=Cc2cc(O)ccc2Cl)S1 ZINC000006075034 208676859 /nfs/dbraw/zinc/67/68/59/208676859.db2.gz JMJNMVSKVOUNHE-OVCLIPMQSA-N 0 0 379.268 5.090 50 10 GKCARN CC1CC[NH+](Cc2c([O-])ccc3c(=O)c(-c4ccccc4Cl)coc32)CC1 ZINC000019791815 208806061 /nfs/dbraw/zinc/80/60/61/208806061.db2.gz BHZTXXBJMMDUPF-UHFFFAOYSA-N 0 0 383.875 5.051 50 10 GKCARN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000019911104 208806130 /nfs/dbraw/zinc/80/61/30/208806130.db2.gz AUWIDNPYUMZKFI-APSNUPSMSA-N 0 0 388.876 5.366 50 10 GKCARN CCCCC(=O)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)CCCC)c1 ZINC000004646967 220741085 /nfs/dbraw/zinc/74/10/85/220741085.db2.gz BOUUWLHEERGTOZ-OCEACIFDSA-N 0 0 380.492 6.359 50 10 GKCARN Cc1cc(N2Cc3ccccc3C2)ccc1/N=N/c1ccc(C(F)(F)F)cc1 ZINC000004774690 220763118 /nfs/dbraw/zinc/76/31/18/220763118.db2.gz YMKPEAOUCLZOLS-CYYJNZCTSA-N 0 0 381.401 6.949 50 10 GKCARN CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S ZINC000004838783 220771953 /nfs/dbraw/zinc/77/19/53/220771953.db2.gz BHLYPJLIDGGKQM-RIYZIHGNSA-N 0 0 384.309 5.475 50 10 GKCARN CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)/C=C/c2ccccc2)cc1 ZINC000004834532 220772640 /nfs/dbraw/zinc/77/26/40/220772640.db2.gz ZNBJDLHGPGWJTO-KFGDZMGLSA-N 0 0 395.506 5.144 50 10 GKCARN CC(=O)c1cccc(N2C(=O)C(=Cc3ccc(Cl)cc3)C=C2c2ccccc2)c1 ZINC000005174070 220840083 /nfs/dbraw/zinc/84/00/83/220840083.db2.gz WXBWFAWVLTVDCL-KGENOOAVSA-N 0 0 399.877 6.014 50 10 GKCARN COc1ccc2c3ccc(OC/C=C(/C)CCC=C(C)C)cc3oc(=O)c2c1 ZINC000005639201 220890186 /nfs/dbraw/zinc/89/01/86/220890186.db2.gz AKXBVMXTTMBXLH-ATVHPVEESA-N 0 0 378.468 6.026 50 10 biogenic GKCARN CC(C)CCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1 ZINC000006751180 220957826 /nfs/dbraw/zinc/95/78/26/220957826.db2.gz CHYCSMPYGQELKX-UHFFFAOYSA-N 0 0 386.539 5.799 50 10 GKCARN COc1ccc2c(c1)S[C@H](c1cccc(F)c1)CCN2Cc1[nH]cnc1C ZINC000299783637 209089504 /nfs/dbraw/zinc/08/95/04/209089504.db2.gz WSUHHDRRGGKKEU-FQEVSTJZSA-N 0 0 383.492 5.110 50 10 GKCARN COc1ccc(-n2c(C)cc(CNC(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1 ZINC000009228631 221074690 /nfs/dbraw/zinc/07/46/90/221074690.db2.gz YJMLXBWAKYTISQ-UHFFFAOYSA-N 0 0 397.906 5.386 50 10 GKCARN CCOc1ccccc1NC(=O)NCc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000009228593 221074820 /nfs/dbraw/zinc/07/48/20/221074820.db2.gz CNLNEIOVLCNHAG-UHFFFAOYSA-N 0 0 397.906 5.468 50 10 GKCARN Cc1cc(CNC(=O)Nc2cccc(Cl)c2C)c(C)n1-c1cccc(C)c1 ZINC000009228758 221074869 /nfs/dbraw/zinc/07/48/69/221074869.db2.gz DPMUFJQCJUWCFZ-UHFFFAOYSA-N 0 0 381.907 5.686 50 10 GKCARN COc1ccc(-n2c(C)cc(CNC(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000009228634 221075216 /nfs/dbraw/zinc/07/52/16/221075216.db2.gz DTCJBCKFNXMCCL-UHFFFAOYSA-N 0 0 377.488 5.041 50 10 GKCARN Oc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccsc2)cc1 ZINC000010215410 221098758 /nfs/dbraw/zinc/09/87/58/221098758.db2.gz XWZKIDFRJHHFHR-AZUAARDMSA-N 0 0 382.872 5.349 50 10 GKCARN O[C@H](c1ccc(Cl)cc1)c1cc2c(cc1/N=N/c1ccccc1)OCCO2 ZINC000012860338 221239328 /nfs/dbraw/zinc/23/93/28/221239328.db2.gz HFOADCUNAJLANY-VANSDEMISA-N 0 0 380.831 5.608 50 10 GKCARN O=C1/C(=C/C=C/c2ccco2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000013787851 221289239 /nfs/dbraw/zinc/28/92/39/221289239.db2.gz DTZDJSXAFNLKQM-NQDFZQDQSA-N 0 0 382.293 5.548 50 10 GKCARN COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000013712682 221283392 /nfs/dbraw/zinc/28/33/92/221283392.db2.gz FUEFBDQIVVPPHS-DHDCSXOGSA-N 0 0 395.427 5.120 50 10 GKCARN COc1ccc2c(c1)S[C@H](c1ccccc1F)CCN2Cc1ccc(O)cc1 ZINC000014884866 221318829 /nfs/dbraw/zinc/31/88/29/221318829.db2.gz YUQMYNSVGPJHPN-QFIPXVFZSA-N 0 0 395.499 5.784 50 10 GKCARN COc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1C ZINC000015016791 221326957 /nfs/dbraw/zinc/32/69/57/221326957.db2.gz RIINSJBWIPMKCE-QFIPXVFZSA-N 0 0 385.467 5.162 50 10 GKCARN CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccccc2C)C1=O ZINC000016192832 221359165 /nfs/dbraw/zinc/35/91/65/221359165.db2.gz OFYUBVPUPQAJCD-BOPFTXTBSA-N 0 0 389.929 5.453 50 10 GKCARN Cc1ccc(/N=N/c2ccc(C)cc2NC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000018089929 221387637 /nfs/dbraw/zinc/38/76/37/221387637.db2.gz YLPJHDOEESRGEA-CYYJNZCTSA-N 0 0 392.890 7.325 50 10 GKCARN Cc1ccc(-c2ccc(C(=S)N3CCN(c4ccccc4)CC3)o2)cc1Cl ZINC000008843410 136195828 /nfs/dbraw/zinc/19/58/28/136195828.db2.gz XHUKUYQYDBOORP-UHFFFAOYSA-N 0 0 396.943 5.406 50 10 GKCARN CC(C)Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000044085795 221951425 /nfs/dbraw/zinc/95/14/25/221951425.db2.gz DNHQHAXSCKAWDR-UHFFFAOYSA-N 0 0 399.947 5.590 50 10 GKCARN Oc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=N[C@H](c2ccc(F)cc2)N1 ZINC000053363450 222009393 /nfs/dbraw/zinc/00/93/93/222009393.db2.gz TUFINIDUSUBAOP-IRLDBZIGSA-N 0 0 380.850 5.407 50 10 GKCARN CN(C)c1ccc(Cc2c(=O)c3ccccc3c3nc4ccccc4[nH]c2-3)cc1 ZINC000059520059 222058567 /nfs/dbraw/zinc/05/85/67/222058567.db2.gz NKBPNAYLKBCEPN-UHFFFAOYSA-N 0 0 379.463 5.299 50 10 GKCARN C[C@]1(c2cc(Cl)ccc2O)Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000072332634 222230746 /nfs/dbraw/zinc/23/07/46/222230746.db2.gz XPERUDAQGPMSMO-NZQKXSOJSA-N 0 0 390.870 5.462 50 10 GKCARN CCCCc1cc(=O)oc2c1ccc1c2CN(c2ccc(OC)c(Cl)c2)CO1 ZINC000002114565 535078494 /nfs/dbraw/zinc/07/84/94/535078494.db2.gz KFZPVZQTESMGIN-UHFFFAOYSA-N 0 0 399.874 5.154 50 10 biogenic GKCARN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000890276 570228456 /nfs/dbraw/zinc/22/84/56/570228456.db2.gz AQIKGGZSRMYXPM-SDNWHVSQSA-N 0 0 393.782 5.490 50 10 GKCARN COc1ccccc1C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000000943240 570230658 /nfs/dbraw/zinc/23/06/58/570230658.db2.gz QEGFNJKRANLPDR-XMMPIXPASA-N 0 0 383.447 5.073 50 10 GKCARN Cc1ccccc1OCC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000000943246 570230797 /nfs/dbraw/zinc/23/07/97/570230797.db2.gz GLHCJQIWLUMVEM-AREMUKBSSA-N 0 0 397.474 5.138 50 10 GKCARN COc1ccc([C@H](NC(=O)Cc2ccccc2)c2c(O)ccc3ccccc32)cc1 ZINC000000970915 570232632 /nfs/dbraw/zinc/23/26/32/570232632.db2.gz VYPUVVGXWOVISS-SANMLTNESA-N 0 0 397.474 5.002 50 10 GKCARN CCCCN1C(=O)/C(=C/C=C2/Sc3cc(C)ccc3N2CC)SC1=S ZINC000006077912 570235131 /nfs/dbraw/zinc/23/51/31/570235131.db2.gz LWUQEKCUYVEUPO-NQZUYODNSA-N 0 0 390.599 5.313 50 10 GKCARN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1cc(C)ccc1O)C(C)(C)N2 ZINC000004817156 570235778 /nfs/dbraw/zinc/23/57/78/570235778.db2.gz FRPIRQXDKNTHQK-XDOYNYLZSA-N 0 0 398.553 5.782 50 10 GKCARN Cc1ccc(Cl)c2c1N[C@@H](c1ccc(OC3CSC3)cc1)[C@H]1CC=C[C@@H]21 ZINC000001075816 570240713 /nfs/dbraw/zinc/24/07/13/570240713.db2.gz ZSHHPKIRTAAKPX-FGSXEWAUSA-N 0 0 383.944 5.969 50 10 GKCARN Cc1ccc(CN2C(=O)/C(=C/C3=Cc4ccccc4O[C@H]3C)SC2=S)cc1 ZINC000001133745 570246720 /nfs/dbraw/zinc/24/67/20/570246720.db2.gz HSIVQZUPBATKJE-DKNZLLBESA-N 0 0 393.533 5.104 50 10 GKCARN CC(C)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)cc(C(C)C)c1O ZINC000001155965 570249846 /nfs/dbraw/zinc/24/98/46/570249846.db2.gz NVGWZPDNAMKNLU-UHFFFAOYSA-N 0 0 383.513 5.593 50 10 GKCARN Cc1ccccc1N1C(=O)/C(=C/c2ccccc2Br)SC1=S ZINC000001159828 570251245 /nfs/dbraw/zinc/25/12/45/570251245.db2.gz DSGGDEODUZMXPT-GDNBJRDFSA-N 0 0 390.327 5.163 50 10 GKCARN Cc1ccc(CN2C(=O)/C(=C/c3c(F)cccc3Cl)SC2=S)cc1 ZINC000001165053 570252341 /nfs/dbraw/zinc/25/23/41/570252341.db2.gz YVWICLDRGYOWLZ-SXGWCWSVSA-N 0 0 377.893 5.189 50 10 GKCARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)/N=N/C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000043762033 570271729 /nfs/dbraw/zinc/27/17/29/570271729.db2.gz NFTASUQYTUXRSI-MHSXZKHMSA-N 0 0 394.556 6.633 50 10 GKCARN CN(C)c1ccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3ncnn32)cc1 ZINC000100717339 570274935 /nfs/dbraw/zinc/27/49/35/570274935.db2.gz KGOSHUPKXBWGJB-XMMPIXPASA-N 0 0 393.494 5.067 50 10 GKCARN Cc1ccc(NCc2c(O)ccc3c(C)c(Cc4ccccc4)c(=O)oc32)cc1 ZINC000006669995 570279908 /nfs/dbraw/zinc/27/99/08/570279908.db2.gz WWDNLVZTXFSSKU-UHFFFAOYSA-N 0 0 385.463 5.318 50 10 GKCARN Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000101141962 570281191 /nfs/dbraw/zinc/28/11/91/570281191.db2.gz BIORLBXGJKUVSB-CZIZLABSSA-N 0 0 385.121 7.127 50 10 GKCARN CCOc1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1C ZINC000002470410 570287849 /nfs/dbraw/zinc/28/78/49/570287849.db2.gz CYNZBLNMIJNBSF-HSZRJFAPSA-N 0 0 399.494 5.552 50 10 in-vitro GKCARN Oc1c([C@@H](Nc2ccccn2)c2ccc(Cl)c(Cl)c2)ccc2cccnc21 ZINC000002838988 570306686 /nfs/dbraw/zinc/30/66/86/570306686.db2.gz DYTPMUBPFQYPBO-IBGZPJMESA-N 0 0 396.277 5.844 50 10 GKCARN Cc1ccnc(N[C@@H](c2ccc3ccc(C)nc3c2O)c2cc(C)ccc2C)c1 ZINC000002839075 570306739 /nfs/dbraw/zinc/30/67/39/570306739.db2.gz LWRIRUDIKOTCLE-DEOSSOPVSA-N 0 0 383.495 5.771 50 10 GKCARN Oc1c([C@H](Nc2ccccn2)c2cccc(Cl)c2)cc(Cl)c2cccnc12 ZINC000002862564 570311667 /nfs/dbraw/zinc/31/16/67/570311667.db2.gz QEMVHDDDWVNQAB-LJQANCHMSA-N 0 0 396.277 5.844 50 10 GKCARN Cc1ccnc(N[C@@H](c2ccc3ccccc3c2)c2ccc3cccnc3c2O)c1 ZINC000002874078 570314266 /nfs/dbraw/zinc/31/42/66/570314266.db2.gz ACOPCCNQZUNLPD-DEOSSOPVSA-N 0 0 391.474 5.999 50 10 GKCARN O=C1/C(=C/c2c3ccccc3cc3ccccc32)SC(=S)N1c1ccccc1 ZINC000002891719 570316902 /nfs/dbraw/zinc/31/69/02/570316902.db2.gz IUEHWPYSPQGJLD-JCMHNJIXSA-N 0 0 397.524 6.399 50 10 GKCARN O=C1/C(=C\c2cccc(Cl)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000002911756 570318185 /nfs/dbraw/zinc/31/81/85/570318185.db2.gz NPHNHXILBUAVGR-RIYZIHGNSA-N 0 0 399.846 5.765 50 10 GKCARN COc1ccc(C(=O)N[C@H](c2ccc(C)cc2)c2c(O)ccc3ccccc32)cc1 ZINC000002979680 570321950 /nfs/dbraw/zinc/32/19/50/570321950.db2.gz XYQIXHRCYDKCAK-RUZDIDTESA-N 0 0 397.474 5.382 50 10 GKCARN O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1c1ccccc1F ZINC000003003306 570325790 /nfs/dbraw/zinc/32/57/90/570325790.db2.gz XZVNKHCMYXECMG-ZSOIEALJSA-N 0 0 384.284 5.538 50 10 GKCARN CC(C)Nc1ncnc2c1N=C1CC(C)(C)CC(NCc3ccccc3)=C1S2 ZINC000004843926 570327592 /nfs/dbraw/zinc/32/75/92/570327592.db2.gz DMEPSCVIBPFQIJ-UHFFFAOYSA-N 0 0 393.560 5.297 50 10 GKCARN CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c3ccccc23)cc1 ZINC000003283026 570335494 /nfs/dbraw/zinc/33/54/94/570335494.db2.gz AXPKSNZAAXRXNR-UHFFFAOYSA-N 0 0 389.904 5.297 50 10 GKCARN CC(C)CC(=O)N[C@H](c1ccc(C(C)C)cc1)c1ccc2cccnc2c1O ZINC000000801031 570341784 /nfs/dbraw/zinc/34/17/84/570341784.db2.gz GFTQCVMCUADNIJ-JOCHJYFZSA-N 0 0 376.500 5.316 50 10 GKCARN COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000003462268 570347304 /nfs/dbraw/zinc/34/73/04/570347304.db2.gz ANKVLZGQTQLFGB-NVNXTCNLSA-N 0 0 396.320 5.408 50 10 GKCARN CCOC(=O)c1cccc2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@H]21 ZINC000006246757 570348307 /nfs/dbraw/zinc/34/83/07/570348307.db2.gz XRQIUIMTDDJOAW-KSMMKXTCSA-N 0 0 398.300 5.452 50 10 GKCARN COc1ccc(/N=N\c2cnc(-c3ccccn3)nc2-c2ccc(OC)cc2)cc1 ZINC000100350014 570354026 /nfs/dbraw/zinc/35/40/26/570354026.db2.gz UPDYJFNQOWJGHH-DQSJHHFOSA-N 0 0 397.438 5.638 50 10 GKCARN CC1(C)Cc2c(cc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)C(=O)C1 ZINC000004885071 570354854 /nfs/dbraw/zinc/35/48/54/570354854.db2.gz NOEIOTMAHYUUQV-UHFFFAOYSA-N 0 0 384.306 6.606 50 10 GKCARN CCOc1ccc(-n2c(-c3ccc(Cl)cc3)cc3c2CC(C)(C)CC3=O)cc1 ZINC000004885010 570354920 /nfs/dbraw/zinc/35/49/20/570354920.db2.gz ZPZWPGOIMUKXJV-UHFFFAOYSA-N 0 0 393.914 6.352 50 10 GKCARN Nc1ccc(NC2(Nc3ccc(N)cc3)c3ccccc3-c3ccccc32)cc1 ZINC000004060216 570355961 /nfs/dbraw/zinc/35/59/61/570355961.db2.gz LGTNYDIWYQWMBS-UHFFFAOYSA-N 0 0 378.479 5.257 50 10 GKCARN Cc1cc(Br)c2c(c1C)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000004151461 570360115 /nfs/dbraw/zinc/36/01/15/570360115.db2.gz BVJAADNFOQHJMJ-GJYPPUQNSA-N 0 0 399.288 5.801 50 10 GKCARN O=c1c2ccccc2c2nc3cc4ccccc4cc3[nH]c-2c1-c1ccc(F)cc1 ZINC000004199619 570362677 /nfs/dbraw/zinc/36/26/77/570362677.db2.gz GFBSMXJPKJMISS-UHFFFAOYSA-N 0 0 390.417 6.601 50 10 GKCARN O=C1c2cccc(Oc3ccccc3)c2C(=O)c2c(Oc3ccccc3)cccc21 ZINC000004343957 570369832 /nfs/dbraw/zinc/36/98/32/570369832.db2.gz ADJYQFBOMQAMAI-UHFFFAOYSA-N 0 0 392.410 6.047 50 10 biogenic GKCARN Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000004348230 570369970 /nfs/dbraw/zinc/36/99/70/570369970.db2.gz JFZBWQQOWNVMBU-VBQJREDUSA-N 0 0 395.127 6.582 50 10 GKCARN Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000004348232 570370210 /nfs/dbraw/zinc/37/02/10/570370210.db2.gz JFZBWQQOWNVMBU-GRDNDAEWSA-N 0 0 395.127 6.582 50 10 GKCARN CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S ZINC000004512537 570380873 /nfs/dbraw/zinc/38/08/73/570380873.db2.gz IQDRAFCHJMNCAE-GZTJUZNOSA-N 0 0 389.929 5.140 50 10 GKCARN CCCC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cc(Cl)c2cccnc2c1O ZINC000004959841 570382156 /nfs/dbraw/zinc/38/21/56/570382156.db2.gz YYILDCADWWHRHV-NRFANRHFSA-N 0 0 396.918 5.723 50 10 GKCARN CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc(Cl)cc2)cc1 ZINC000004532255 570382322 /nfs/dbraw/zinc/38/23/22/570382322.db2.gz DJQWUQXGETUZLB-QHCPKHFHSA-N 0 0 375.903 5.762 50 10 GKCARN COc1ccc(N2C(=O)/C(=C\c3ccccc3C(F)(F)F)SC2=S)cc1 ZINC000004591506 570385912 /nfs/dbraw/zinc/38/59/12/570385912.db2.gz AYWMAOBDHZWFAG-XNTDXEJSSA-N 0 0 395.427 5.120 50 10 GKCARN Nc1ccc(Cc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 ZINC000004631042 570388648 /nfs/dbraw/zinc/38/86/48/570388648.db2.gz ICUGKDFFLFOFCJ-UHFFFAOYSA-N 0 0 378.475 5.779 50 10 GKCARN CCN1C(=O)/C(=C\c2ccc(COc3ccc(Cl)c(C)c3)o2)SC1=S ZINC000004652251 570389801 /nfs/dbraw/zinc/38/98/01/570389801.db2.gz NOIAQFSZPUJBBG-CXUHLZMHSA-N 0 0 393.917 5.042 50 10 GKCARN O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1c1ccccc1 ZINC000013476826 570398261 /nfs/dbraw/zinc/39/82/61/570398261.db2.gz VZGFLHZMDBUJBM-PDGQHHTCSA-N 0 0 397.908 6.006 50 10 GKCARN O=C1C(=CNc2cccc(C(F)(F)F)c2)SC(=S)N1C1CCCCC1 ZINC000005021782 570398447 /nfs/dbraw/zinc/39/84/47/570398447.db2.gz BTZPGSWETGANBX-UVTDQMKNSA-N 0 0 386.464 5.152 50 10 GKCARN O=C1/C(=C/c2ccc(SCc3ccco3)o2)SC(=S)N1c1ccccc1 ZINC000005025805 570399519 /nfs/dbraw/zinc/39/95/19/570399519.db2.gz BLTSGUOGDCTTTD-WJDWOHSUSA-N 0 0 399.518 5.571 50 10 GKCARN COc1ccccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C=C1c1ccccc1 ZINC000004738994 570400239 /nfs/dbraw/zinc/40/02/39/570400239.db2.gz ZYHBQZZGGNJGTK-XDJHFCHBSA-N 0 0 398.418 5.075 50 10 GKCARN CCN1C(=O)/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)SC1=S ZINC000005028565 570400329 /nfs/dbraw/zinc/40/03/29/570400329.db2.gz NVEZGLHTSGRFNL-ZROIWOOFSA-N 0 0 395.958 5.446 50 10 GKCARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(N(C)C)cc2)N3)C1 ZINC000006386334 570403145 /nfs/dbraw/zinc/40/31/45/570403145.db2.gz HYWXGRSBSCPSNW-YWZLYKJASA-N 0 0 397.588 5.784 50 10 GKCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(C(F)(F)F)c1)N2 ZINC000004757867 570404198 /nfs/dbraw/zinc/40/41/98/570404198.db2.gz ANSKEBAPMGMQFR-UWVAXJGDSA-N 0 0 387.401 5.709 50 10 GKCARN Cc1ccc(Sc2ccc(C(C)(C)C)cc2)c2c1C(=O)c1ccccc1C2=O ZINC000004785810 570405682 /nfs/dbraw/zinc/40/56/82/570405682.db2.gz OOGRFHSCHHOZIX-UHFFFAOYSA-N 0 0 386.516 6.219 50 10 GKCARN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 ZINC000004871409 570414407 /nfs/dbraw/zinc/41/44/07/570414407.db2.gz NSIKMWFEJVYWHD-LFIBNONCSA-N 0 0 375.902 5.145 50 10 GKCARN CC(=O)Nc1cccc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c1C ZINC000025600207 570416668 /nfs/dbraw/zinc/41/66/68/570416668.db2.gz AITYLFHKYKAXTH-UHFFFAOYSA-N 0 0 395.890 5.267 50 10 GKCARN CCOc1c(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cccc1OC ZINC000006439473 570418518 /nfs/dbraw/zinc/41/85/18/570418518.db2.gz WDPPMGDIXTUKSQ-LDADJPATSA-N 0 0 399.537 5.117 50 10 GKCARN CCCCN1C(=O)/C(=C\C=C2/Sc3ccccc3N2CC)SC1=S ZINC000005127491 570422042 /nfs/dbraw/zinc/42/20/42/570422042.db2.gz NBEKPHZBYVOPDB-AXOLISODSA-N 0 0 376.572 5.004 50 10 GKCARN CN(C)c1ccc(C(C(Cl)=C(Cl)Cl)c2ccc(N(C)C)cc2)cc1 ZINC000003075601 570425374 /nfs/dbraw/zinc/42/53/74/570425374.db2.gz SJIJBOZKCYEWHE-UHFFFAOYSA-N 0 0 383.750 5.836 50 10 GKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S ZINC000005050205 570426104 /nfs/dbraw/zinc/42/61/04/570426104.db2.gz SQNOBOMKOZLJSM-LKBVRNOZSA-N 0 0 394.348 5.956 50 10 GKCARN CCCc1cc2c(-c3ccccc3)cc(=O)oc2c(C[NH+]2CCC(C)CC2)c1[O-] ZINC000005066937 570428042 /nfs/dbraw/zinc/42/80/42/570428042.db2.gz AQOBUURKJVJVLB-UHFFFAOYSA-N 0 0 391.511 5.350 50 10 GKCARN O=C1/C(=C/c2ccc3ccccc3c2)SC(=S)N1c1cccc(Cl)c1 ZINC000033859009 570429114 /nfs/dbraw/zinc/42/91/14/570429114.db2.gz BVQGWZCORVEOTJ-WQRHYEAKSA-N 0 0 381.909 5.899 50 10 GKCARN O=C1/C(=C\C=C\c2ccco2)SC(=S)N1c1cccc(Br)c1 ZINC000027533670 570435077 /nfs/dbraw/zinc/43/50/77/570435077.db2.gz WMXMJKYEFRLYBG-BOAPOFAJSA-N 0 0 392.299 5.004 50 10 GKCARN O=C1c2ccccc2C(=O)C1C1=C[C@@H](c2ccccc2)[C@H](c2cccs2)N=N1 ZINC000100716025 570435699 /nfs/dbraw/zinc/43/56/99/570435699.db2.gz VAKIABKPXRWWNE-LAUBAEHRSA-N 0 0 384.460 5.618 50 10 GKCARN CC(=O)c1cccc(NN=C2C=C(C(C)(C)C)C=C(Br)C2=O)c1 ZINC000005754544 570455574 /nfs/dbraw/zinc/45/55/74/570455574.db2.gz MBMHBWLVUWKHPX-QZQOTICOSA-N 0 0 375.266 6.070 50 10 GKCARN Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000005884881 570460209 /nfs/dbraw/zinc/46/02/09/570460209.db2.gz KPMDPWKGSQSXJG-XDHOZWIPSA-N 0 0 395.480 5.800 50 10 GKCARN C[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)coc21 ZINC000019791530 570468869 /nfs/dbraw/zinc/46/88/69/570468869.db2.gz NCXXDDQPOLAHET-AWEZNQCLSA-N 0 0 383.875 5.193 50 10 biogenic GKCARN C[C@H]1Cc2c(cc(-c3ccc(Br)cc3)n2-c2cccc(F)c2)C(=O)C1 ZINC000006235654 570473104 /nfs/dbraw/zinc/47/31/04/570473104.db2.gz SFVMKSIWGISEFV-ZDUSSCGKSA-N 0 0 398.275 5.811 50 10 GKCARN COc1ccc2c(c1)-c1c(=S)n(-c3cccc(C)c3)sc1C(C)(C)N2C ZINC000002372241 570477848 /nfs/dbraw/zinc/47/78/48/570477848.db2.gz SSHYBZUQLTVBBF-UHFFFAOYSA-N 0 0 382.554 5.937 50 10 GKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C2=N)S1 ZINC000030696743 570493792 /nfs/dbraw/zinc/49/37/92/570493792.db2.gz MLYLVZHSGJLACW-QBILMKHKSA-N 0 0 398.875 5.019 50 10 GKCARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])oc(C)c2C(=O)NC1CCCCC1 ZINC000005182454 570496582 /nfs/dbraw/zinc/49/65/82/570496582.db2.gz GWCGFYOFOCENHY-UHFFFAOYSA-N 0 0 386.536 5.131 50 10 GKCARN COc1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000004757838 570497842 /nfs/dbraw/zinc/49/78/42/570497842.db2.gz CBOIWRUQWHIBNW-LXIYXOSZSA-N 0 0 390.361 5.449 50 10 GKCARN COc1ccc(-n2c(-c3ccc(C)cc3)cc3c2C[C@H](C)CC3=O)cc1OC ZINC000006898062 570498651 /nfs/dbraw/zinc/49/86/51/570498651.db2.gz ZLRUVZGIYJLYJK-INIZCTEOSA-N 0 0 375.468 5.235 50 10 GKCARN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000002062268 570501655 /nfs/dbraw/zinc/50/16/55/570501655.db2.gz FHXLOZWJUOFWBP-LDADJPATSA-N 0 0 386.517 5.078 50 10 GKCARN Cc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1 ZINC000005201202 570504169 /nfs/dbraw/zinc/50/41/69/570504169.db2.gz GNEPNCFJXHZQDH-XNTDXEJSSA-N 0 0 390.327 5.163 50 10 GKCARN Cc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccs2)c1 ZINC000006721698 570550443 /nfs/dbraw/zinc/55/04/43/570550443.db2.gz GITRTGHISPWZEN-DYESRHJHSA-N 0 0 396.899 5.658 50 10 GKCARN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000009190120 570551600 /nfs/dbraw/zinc/55/16/00/570551600.db2.gz LVKAYSABAOKICF-ZHZULCJRSA-N 0 0 396.581 5.555 50 10 GKCARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1cccc(Nc2ccccc2)c1 ZINC000005337395 570556585 /nfs/dbraw/zinc/55/65/85/570556585.db2.gz KOHTWECUAIESAP-XQNSMLJCSA-N 0 0 382.467 5.457 50 10 GKCARN O=C(NC1CCCCC1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1 ZINC000006782051 570589144 /nfs/dbraw/zinc/58/91/44/570589144.db2.gz GFIIIYATUVMFCI-UHFFFAOYSA-N 0 0 398.550 6.086 50 10 GKCARN 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Oc1c([C@H](Nc2ccccn2)c2ccc(Cl)c(Cl)c2)ccc2cccnc21 ZINC000002838989 209389332 /nfs/dbraw/zinc/38/93/32/209389332.db2.gz DYTPMUBPFQYPBO-LJQANCHMSA-N 0 0 396.277 5.844 50 10 GKCARN O=C1/C(=C\C=C\c2ccco2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000002450247 209364900 /nfs/dbraw/zinc/36/49/00/209364900.db2.gz DTZDJSXAFNLKQM-GSPDUGTFSA-N 0 0 382.293 5.548 50 10 GKCARN CCOC(=O)c1sc2nc3c(c(-c4ccccc4Cl)c2c1N)CCCC3 ZINC000002375346 209360577 /nfs/dbraw/zinc/36/05/77/209360577.db2.gz RZOMTCMRWWARNT-UHFFFAOYSA-N 0 0 386.904 5.254 50 10 GKCARN COc1ccc2c(c1)c(=O)oc1c(C)c(OCc3c(F)cccc3Cl)ccc21 ZINC000002367565 209360410 /nfs/dbraw/zinc/36/04/10/209360410.db2.gz YNJHPHQLBJGZHT-UHFFFAOYSA-N 0 0 398.817 5.635 50 10 GKCARN COc1ccc(C2Nc3cccc4cccc(c43)N2)cc1OCc1ccccc1 ZINC000002340598 209356893 /nfs/dbraw/zinc/35/68/93/209356893.db2.gz SMWVYVQZKVEHBJ-UHFFFAOYSA-N 0 0 382.463 5.964 50 10 GKCARN O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000002240787 209352660 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CC(C)c1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)cc1 ZINC000001047556 209292749 /nfs/dbraw/zinc/29/27/49/209292749.db2.gz WOGBCXUPRGFHQD-UHFFFAOYSA-N 0 0 399.947 5.595 50 10 GKCARN O=C1S/C(=C\C(Br)=C\c2ccccc2)C(=O)N1c1ccccc1 ZINC000001013940 209289044 /nfs/dbraw/zinc/28/90/44/209289044.db2.gz UJNIIAHLSNUVSF-RVFWBLQRSA-N 0 0 386.270 5.206 50 10 GKCARN CC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1cc(Cl)c2cccnc2c1O ZINC000000869268 209274508 /nfs/dbraw/zinc/27/45/08/209274508.db2.gz DUICHCGSDFOJKH-INIZCTEOSA-N 0 0 395.673 5.126 50 10 GKCARN CC(=O)N(CC[C@H](c1ccco1)c1ccc(C)cc1)Cc1ccc(N(C)C)cc1 ZINC000001149997 209227713 /nfs/dbraw/zinc/22/77/13/209227713.db2.gz AQUQALYZMBZYJN-DEOSSOPVSA-N 0 0 390.527 5.225 50 10 biogenic GKCARN Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000002071041 212263411 /nfs/dbraw/zinc/26/34/11/212263411.db2.gz JFZBWQQOWNVMBU-JKIFEVAISA-N 0 0 395.127 6.582 50 10 GKCARN Cc1ccc(NCN2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1Cl ZINC000002068800 212262872 /nfs/dbraw/zinc/26/28/72/212262872.db2.gz SEIRFSILMFLQJY-PXNMLYILSA-N 0 0 392.908 5.058 50 10 GKCARN CCOc1ccc(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)cc1 ZINC000001800255 212256715 /nfs/dbraw/zinc/25/67/15/212256715.db2.gz XHBSQLOFSDSFNW-ZHZULCJRSA-N 0 0 391.517 5.644 50 10 GKCARN COC(=O)c1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000058929494 209212644 /nfs/dbraw/zinc/21/26/44/209212644.db2.gz CHEWPGNTSNCUDF-SLSDLSHTSA-N 0 0 381.475 5.967 50 10 GKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2nc(C)cc(-c3ccccc3)n2n1 ZINC000001394464 212241371 /nfs/dbraw/zinc/24/13/71/212241371.db2.gz KGVZHHVTBRQIPC-UHFFFAOYSA-N 0 0 384.508 5.841 50 10 GKCARN O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000001254073 212232713 /nfs/dbraw/zinc/23/27/13/212232713.db2.gz DHVAUZANWRYOLF-ZSOIEALJSA-N 0 0 383.391 5.250 50 10 GKCARN CC(C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3F)cc2)SC1=S ZINC000001089471 212216073 /nfs/dbraw/zinc/21/60/73/212216073.db2.gz RKHWPTZHZDGRGM-WQRHYEAKSA-N 0 0 387.501 5.014 50 10 GKCARN Cc1cccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)c1 ZINC000001086527 212215149 /nfs/dbraw/zinc/21/51/49/212215149.db2.gz JWQIESOHSQASFX-GDNBJRDFSA-N 0 0 390.327 5.163 50 10 GKCARN COc1ccc(Cl)cc1[C@@H](Nc1cccnc1)c1ccc2cccnc2c1O ZINC000001065645 212212573 /nfs/dbraw/zinc/21/25/73/212212573.db2.gz VNEQQSPGASKCDG-NRFANRHFSA-N 0 0 391.858 5.199 50 10 GKCARN FC(F)(F)c1ccccc1[C@@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@H]21 ZINC000001016167 212206217 /nfs/dbraw/zinc/20/62/17/212206217.db2.gz ZXYAQJUUELYZIL-XWCIJXRUSA-N 0 0 394.234 6.294 50 10 GKCARN O=C1c2ccccc2C(=O)C1(Br)C(c1ccccc1)c1ccccc1 ZINC000000864651 212191231 /nfs/dbraw/zinc/19/12/31/212191231.db2.gz DOYZBIYMJROHQD-UHFFFAOYSA-N 0 0 391.264 5.031 50 10 GKCARN CCCC(=O)N[C@@H](c1ccccc1Cl)c1cc(Cl)c2cccnc2c1O ZINC000000801098 212181924 /nfs/dbraw/zinc/18/19/24/212181924.db2.gz AAYMJRPVNPTYIG-SFHVURJKSA-N 0 0 389.282 5.253 50 10 GKCARN CC(C)C(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cc(Cl)c2cccnc2c1O ZINC000000801106 212182980 /nfs/dbraw/zinc/18/29/80/212182980.db2.gz 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Cc1[nH]c2ccc(C)cc2c1/C=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000001182545 203894665 /nfs/dbraw/zinc/89/46/65/203894665.db2.gz BJOFTOXFNKMYQZ-YBFXNURJSA-N 0 0 378.522 5.186 50 10 GKCARN CC(C)Oc1ccc(/C=C2\N=C(c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000002053357 203925250 /nfs/dbraw/zinc/92/52/50/203925250.db2.gz LUYPYYIJIQPBHR-QJOMJCCJSA-N 0 0 382.463 5.308 50 10 GKCARN Cc1cccc(COc2ccc(/C=C3\SC(=S)N(CC(C)C)C3=O)cc2)c1 ZINC000002821314 203965689 /nfs/dbraw/zinc/96/56/89/203965689.db2.gz SYHJYKPKJZGLCE-NDENLUEZSA-N 0 0 397.565 5.431 50 10 GKCARN COc1ccc2c3ccc(OCc4cccc(Cl)c4)c(C)c3oc(=O)c2c1 ZINC000002811835 203965971 /nfs/dbraw/zinc/96/59/71/203965971.db2.gz PEEXAURZCIASMM-UHFFFAOYSA-N 0 0 380.827 5.496 50 10 GKCARN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 ZINC000004309556 204037289 /nfs/dbraw/zinc/03/72/89/204037289.db2.gz AQNGEGAZQNCRRW-IUUKEHGRSA-N 0 0 391.254 5.737 50 10 GKCARN CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21 ZINC000004321341 204037639 /nfs/dbraw/zinc/03/76/39/204037639.db2.gz QZEVZHPZXRMEDG-NEMUNFNQSA-N 0 0 385.482 5.923 50 10 GKCARN CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 ZINC000004321342 204038500 /nfs/dbraw/zinc/03/85/00/204038500.db2.gz QZEVZHPZXRMEDG-AIQNWGLSSA-N 0 0 385.482 5.923 50 10 GKCARN CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1 ZINC000004329487 204039611 /nfs/dbraw/zinc/03/96/11/204039611.db2.gz OCLKWPRGEPXEIP-HSZRJFAPSA-N 0 0 375.903 5.762 50 10 GKCARN Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000004348228 204040277 /nfs/dbraw/zinc/04/02/77/204040277.db2.gz JFZBWQQOWNVMBU-JJRVBVJISA-N 0 0 395.127 6.582 50 10 GKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=S ZINC000004107245 204027152 /nfs/dbraw/zinc/02/71/52/204027152.db2.gz LRKMHQDXBGOXBK-MHMQGTJDSA-N 0 0 384.551 5.019 50 10 GKCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 ZINC000004172138 204030532 /nfs/dbraw/zinc/03/05/32/204030532.db2.gz 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CCC[NH+](CCC)Cc1c2c(ccc1[O-])oc(C)c2C(=O)Nc1ccccc1C ZINC000005182450 204117738 /nfs/dbraw/zinc/11/77/38/204117738.db2.gz MAJWUYTZNFDTCI-UHFFFAOYSA-N 0 0 394.515 5.630 50 10 GKCARN CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S ZINC000005201133 204117860 /nfs/dbraw/zinc/11/78/60/204117860.db2.gz YVEBXMKQXVCUED-MDWZMJQESA-N 0 0 384.309 5.475 50 10 GKCARN O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000005201187 204119537 /nfs/dbraw/zinc/11/95/37/204119537.db2.gz FFZDNJBAYZCUEG-RIYZIHGNSA-N 0 0 399.846 5.765 50 10 GKCARN O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccccc1F ZINC000004950273 204096040 /nfs/dbraw/zinc/09/60/40/204096040.db2.gz XJQWYAMZSBSOCK-RIYZIHGNSA-N 0 0 384.284 5.538 50 10 GKCARN CCN1C(=O)/C(=C/c2ccc(Sc3cccc4ccccc43)o2)SC1=S ZINC000005025789 204103383 /nfs/dbraw/zinc/10/33/83/204103383.db2.gz HXRFROHKGCRWSN-ATVHPVEESA-N 0 0 397.546 5.805 50 10 GKCARN Cc1ccccc1N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S ZINC000005711716 204147377 /nfs/dbraw/zinc/14/73/77/204147377.db2.gz DHPPKAMVNIGFID-OVCLIPMQSA-N 0 0 380.321 5.708 50 10 GKCARN CCc1ccc(NC(=O)[C@@H](C)Nc2ccccc2NCCc2ccccc2)cc1 ZINC000006319591 204174518 /nfs/dbraw/zinc/17/45/18/204174518.db2.gz URXNPKBSEUBMHQ-LJQANCHMSA-N 0 0 387.527 5.343 50 10 GKCARN Cc1cc2c(n1-c1ccc(C(=O)NCCCc3ccccc3)cc1)CC[C@@H](C)C2 ZINC000006877943 204218898 /nfs/dbraw/zinc/21/88/98/204218898.db2.gz OQVLCAIBDBXRGB-LJQANCHMSA-N 0 0 386.539 5.273 50 10 GKCARN CCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)cc1Cl ZINC000009234569 204302725 /nfs/dbraw/zinc/30/27/25/204302725.db2.gz VHKIOLWBDIQITG-MHWRWJLKSA-N 0 0 393.892 5.284 50 10 GKCARN COc1ccccc1-n1c(C)cc(CNC(=O)Nc2cc(C)cc(C)c2)c1C ZINC000009228869 204303409 /nfs/dbraw/zinc/30/34/09/204303409.db2.gz RESOQNIOICHATI-UHFFFAOYSA-N 0 0 377.488 5.041 50 10 GKCARN CSc1cccc(NC(=O)NCc2cc(C)n(-c3cccc(Cl)c3)c2C)c1 ZINC000009228827 204303848 /nfs/dbraw/zinc/30/38/48/204303848.db2.gz OMUADZTZSILZRZ-UHFFFAOYSA-N 0 0 399.947 5.791 50 10 GKCARN COc1ccc2c(c1)S[C@H](c1cccc(F)c1)CCN2Cc1cccc(C)n1 ZINC000012150788 204376725 /nfs/dbraw/zinc/37/67/25/204376725.db2.gz BUNNSVRHQTZRIN-QFIPXVFZSA-N 0 0 394.515 5.781 50 10 GKCARN Cc1ccc(-c2cc(-c3ccco3)c3c(N)c(C(=O)OC(C)C)sc3n2)cc1 ZINC000012249969 204387799 /nfs/dbraw/zinc/38/77/99/204387799.db2.gz VNKGFWNWNXLAIC-UHFFFAOYSA-N 0 0 392.480 5.679 50 10 GKCARN Cc1ccccc1N1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)SC1=S ZINC000015008442 204553697 /nfs/dbraw/zinc/55/36/97/204553697.db2.gz XNAUVVXZUFIMEN-UDWIEESQSA-N 0 0 392.549 5.936 50 10 GKCARN COc1ccc(Cl)c2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@@H]21 ZINC000017312713 204610532 /nfs/dbraw/zinc/61/05/32/204610532.db2.gz YNCGFOQAHMGLRL-FMTVUPSXSA-N 0 0 390.708 5.938 50 10 GKCARN O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(OC(F)(F)F)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000229954890 211957927 /nfs/dbraw/zinc/95/79/27/211957927.db2.gz FQCUSEMHJCASRV-RKVPGOIHSA-N 0 0 376.334 5.320 50 10 GKCARN CN(C)c1ccc([C@@H]2N=C(c3ccc(Cl)cc3)[C@@H]3[C@@H](c4ccccc4)N32)cc1 ZINC000025586370 204834573 /nfs/dbraw/zinc/83/45/73/204834573.db2.gz MVTNPDZGDVJMMJ-ASAMFVBJSA-N 0 0 387.914 5.333 50 10 GKCARN CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000033399099 204964223 /nfs/dbraw/zinc/96/42/23/204964223.db2.gz RHLKCMHFTIBTBW-ATVHPVEESA-N 0 0 389.929 5.535 50 10 GKCARN Oc1ccc(Br)cc1CNc1ccc(OCc2ccccc2)cc1 ZINC000044836157 205086332 /nfs/dbraw/zinc/08/63/32/205086332.db2.gz MUZTXNZOBWEJTH-UHFFFAOYSA-N 0 0 384.273 5.346 50 10 GKCARN Cc1ccc(C2=N[C@](C)(c3cccc(Cl)c3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000053364609 205136221 /nfs/dbraw/zinc/13/62/21/205136221.db2.gz ZQLSFYAFFFPSEJ-VWNXMTODSA-N 0 0 390.914 5.751 50 10 GKCARN Cc1ccc(C2=N[C@@](C)(c3cccc(Cl)c3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000053364616 205136523 /nfs/dbraw/zinc/13/65/23/205136523.db2.gz ZQLSFYAFFFPSEJ-ISKFKSNPSA-N 0 0 390.914 5.751 50 10 GKCARN COc1cccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3O)C2)c1 ZINC000053363328 205136634 /nfs/dbraw/zinc/13/66/34/205136634.db2.gz YOIUINYSAOZIOF-JTHBVZDNSA-N 0 0 392.886 5.277 50 10 GKCARN COc1ccc(C2=N[C@H](c3cccs3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000058083257 205164243 /nfs/dbraw/zinc/16/42/43/205164243.db2.gz BYJVPEWHDVVZKG-NQIIRXRSSA-N 0 0 398.915 5.338 50 10 GKCARN COc1ccc(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc32)cc1 ZINC000001229197 209115000 /nfs/dbraw/zinc/11/50/00/209115000.db2.gz KCKKNZJPHWKMIQ-DEOSSOPVSA-N 0 0 383.447 5.073 50 10 GKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000100680924 205609135 /nfs/dbraw/zinc/60/91/35/205609135.db2.gz UDJMBDBYNARJBN-CPNJWEJPSA-N 0 0 396.368 5.772 50 10 GKCARN CCOc1ccc2ccccc2c1C=C1SC(NC2CCCCC2)=NC1=O ZINC000022357313 211762299 /nfs/dbraw/zinc/76/22/99/211762299.db2.gz SRDLEKYTZNLCRK-ZHZULCJRSA-N 0 0 380.513 5.131 50 10 GKCARN O=C(N[C@H](c1ccccc1Cl)c1ccc2cccnc2c1O)c1ccccc1 ZINC000001219061 205705977 /nfs/dbraw/zinc/70/59/77/205705977.db2.gz GPLKKGFSUQUXNI-OAQYLSRUSA-N 0 0 388.854 5.113 50 10 GKCARN O=C1N=C(N2CCCCCC2)S/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000001801502 205713527 /nfs/dbraw/zinc/71/35/27/205713527.db2.gz WVUWWEUKDAWWFD-PGMHBOJBSA-N 0 0 392.524 5.112 50 10 GKCARN CCN(CC)c1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c(O)c1 ZINC000012604757 205877798 /nfs/dbraw/zinc/87/77/98/205877798.db2.gz XROLKWZTIYGJGR-XMMPIXPASA-N 0 0 384.483 5.228 50 10 GKCARN CC1=NN(c2ccccc2)C(=O)/C1=C(\C=C\c1ccc(Cl)cc1)c1ccccc1 ZINC000017186348 205909763 /nfs/dbraw/zinc/90/97/63/205909763.db2.gz UGXNVJOZPKRBDE-IAGGNUMHSA-N 0 0 398.893 6.230 50 10 GKCARN Cc1cc(O)c(C(C)C)cc1NC1=NC(=O)C(=Cc2ccc(Cl)cc2)S1 ZINC000013150190 211697354 /nfs/dbraw/zinc/69/73/54/211697354.db2.gz OQHWXJNTIIIQQW-GIJQJNRQSA-N 0 0 386.904 5.560 50 10 GKCARN COc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1OCc1ccccc1 ZINC000033340958 206099140 /nfs/dbraw/zinc/09/91/40/206099140.db2.gz ORFGMSRXXCKEDC-CJLVFECKSA-N 0 0 398.462 5.080 50 10 GKCARN CC(=O)N(CC[C@@H](c1ccco1)c1ccc(C)cc1)Cc1ccc(N(C)C)cc1 ZINC000001149995 206290962 /nfs/dbraw/zinc/29/09/62/206290962.db2.gz AQUQALYZMBZYJN-XMMPIXPASA-N 0 0 390.527 5.225 50 10 biogenic GKCARN CCOc1ccccc1NC(=O)c1c2c(sc1NCc1ccc(C)o1)CCC2 ZINC000000798216 206322011 /nfs/dbraw/zinc/32/20/11/206322011.db2.gz ZITJCTAVCYXWHB-UHFFFAOYSA-N 0 0 396.512 5.401 50 10 GKCARN CC(C)C(=O)N[C@H](c1ccc(C(C)C)cc1)c1cc(Cl)c2cccnc2c1O ZINC000000801107 206322457 /nfs/dbraw/zinc/32/24/57/206322457.db2.gz BHJWVIQRDPSQPF-HXUWFJFHSA-N 0 0 396.918 5.579 50 10 GKCARN CCOc1ccccc1NC(=O)c1c(NCc2cccs2)sc2c1CCC2 ZINC000000920863 206332769 /nfs/dbraw/zinc/33/27/69/206332769.db2.gz PVYSYZVYWFQGNL-UHFFFAOYSA-N 0 0 398.553 5.561 50 10 GKCARN CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000001019237 206341801 /nfs/dbraw/zinc/34/18/01/206341801.db2.gz CZGLGEGNYDKASX-JQVVWYNYSA-N 0 0 380.919 5.649 50 10 GKCARN Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000001150796 206359809 /nfs/dbraw/zinc/35/98/09/206359809.db2.gz IDXYJCHRUOELAI-UHFFFAOYSA-N 0 0 382.573 5.150 50 10 GKCARN CCN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)SC1=S ZINC000001187082 206364942 /nfs/dbraw/zinc/36/49/42/206364942.db2.gz PUYDUQYDVIAWJI-ODLFYWEKSA-N 0 0 396.512 5.050 50 10 GKCARN Cc1ccc(C2=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)S2)cc1 ZINC000001190571 206365048 /nfs/dbraw/zinc/36/50/48/206365048.db2.gz LPGJWJNAWXEBEP-UNOMPAQXSA-N 0 0 379.868 5.970 50 10 GKCARN CCOc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000001190756 206365483 /nfs/dbraw/zinc/36/54/83/206365483.db2.gz JYOYGMSODYTBKW-MHWRWJLKSA-N 0 0 375.902 5.145 50 10 GKCARN O=C1c2ccccc2-c2onc3c2c1c(Nc1cccc(F)c1)cc3N1CCCC1 ZINC000003741819 206493864 /nfs/dbraw/zinc/49/38/64/206493864.db2.gz VFWVNAJDKOHLGI-UHFFFAOYSA-N 0 0 399.425 5.522 50 10 GKCARN CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000004309459 206513542 /nfs/dbraw/zinc/51/35/42/206513542.db2.gz PFPFGZOICWUTDM-LFVJCYFKSA-N 0 0 382.463 5.380 50 10 GKCARN CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000004371934 206518031 /nfs/dbraw/zinc/51/80/31/206518031.db2.gz CZGLGEGNYDKASX-KNKQGSTJSA-N 0 0 380.919 5.649 50 10 GKCARN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)c1 ZINC000004547129 206527088 /nfs/dbraw/zinc/52/70/88/206527088.db2.gz DPQTXODQGBIBSH-RCCKNPSSSA-N 0 0 396.446 5.683 50 10 GKCARN COc1ccccc1[C@@H]1Nc2c(Cl)ccc(C(F)(F)F)c2[C@H]2C=CC[C@H]21 ZINC000004664570 206538917 /nfs/dbraw/zinc/53/89/17/206538917.db2.gz WGENDORRYGHSIW-VNBZBWLYSA-N 0 0 379.809 6.194 50 10 GKCARN CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC)c(OCC)c1 ZINC000100325202 211385806 /nfs/dbraw/zinc/38/58/06/211385806.db2.gz LKCIMFNNPDMCPP-XDJHFCHBSA-N 0 0 378.472 5.070 50 10 GKCARN Cc1ccccc1N=Nc1ccc(NN=C2C(=O)C=Cc3ccccc32)c(C)c1 ZINC000085205445 211176163 /nfs/dbraw/zinc/17/61/63/211176163.db2.gz RCTGMCJBQGBLKT-PAMTUDGESA-N 0 0 380.451 7.993 50 10 in-man GKCARN Cc1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)c(C)c1 ZINC000007423272 206712963 /nfs/dbraw/zinc/71/29/63/206712963.db2.gz NRVOJSUFRDBXRT-UHFFFAOYSA-N 0 0 385.920 5.088 50 10 GKCARN Cc1cc(CNC(=O)NCc2ccc(C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000009228819 206779649 /nfs/dbraw/zinc/77/96/49/206779649.db2.gz HDJWDMZJLJUBQM-UHFFFAOYSA-N 0 0 381.907 5.055 50 10 GKCARN COc1ccc2c(c1)S[C@@H](c1cccc(F)c1)CCN2Cc1cnn(C)c1C ZINC000012243014 206874078 /nfs/dbraw/zinc/87/40/78/206874078.db2.gz WYPLNXKAKOKYTB-OAQYLSRUSA-N 0 0 397.519 5.120 50 10 GKCARN Cc1ccc(C2=NC(=O)/C(=C/c3c4ccccc4cc4ccccc43)S2)cc1 ZINC000015018457 207041492 /nfs/dbraw/zinc/04/14/92/207041492.db2.gz QOVSITLKLRGEFH-HAHDFKILSA-N 0 0 379.484 6.363 50 10 GKCARN Cc1cc(/C=C2\C(=O)Nc3ccccc32)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000015306008 207049964 /nfs/dbraw/zinc/04/99/64/207049964.db2.gz QFZKMBWNVKZKTJ-YVLHZVERSA-N 0 0 383.278 5.894 50 10 GKCARN O=C1C(=CC=CC=CNc2ccccc2)SC(=S)N1CCc1ccccc1 ZINC000016185210 207072919 /nfs/dbraw/zinc/07/29/19/207072919.db2.gz KPXKZJZCHLLNLP-GVBFPQTRSA-N 0 0 392.549 5.155 50 10 GKCARN Cc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O ZINC000016193127 207074783 /nfs/dbraw/zinc/07/47/83/207074783.db2.gz AUZOEMJECBSZOP-NVNXTCNLSA-N 0 0 380.321 5.708 50 10 GKCARN O=C1N=C(Nc2ccc(Br)cc2)SC1=Cc1c[nH]c2ccccc12 ZINC000017195749 207086067 /nfs/dbraw/zinc/08/60/67/207086067.db2.gz RZLAHKGXKLDVKF-SXGWCWSVSA-N 0 0 398.285 5.013 50 10 GKCARN CCOc1cccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)c1 ZINC000018190452 207093778 /nfs/dbraw/zinc/09/37/78/207093778.db2.gz XKIAXDVGTLQPMF-QFIPXVFZSA-N 0 0 385.467 5.244 50 10 GKCARN CC(C)C[NH+](Cc1c([O-])ccc2c(=O)c(-c3ccccc3)coc21)CC(C)C ZINC000019770995 207161524 /nfs/dbraw/zinc/16/15/24/207161524.db2.gz YZRZHQQMBWDZIF-UHFFFAOYSA-N 0 0 379.500 5.280 50 10 biogenic GKCARN CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4O)=NN32)cc1 ZINC000020070667 207177858 /nfs/dbraw/zinc/17/78/58/207177858.db2.gz OTSIHDQYSYRJLK-ZJSXRUAMSA-N 0 0 386.451 5.033 50 10 GKCARN O=C(c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1)N1CCCCC1 ZINC000020489508 207197752 /nfs/dbraw/zinc/19/77/52/207197752.db2.gz LFTBTWBGKCHNJJ-UHFFFAOYSA-N 0 0 398.550 6.039 50 10 GKCARN C[C@H]1CCC[N@H+](Cc2c([O-])c(Cl)cc3c(-c4ccccc4)cc(=O)oc32)C1 ZINC000020411949 207190987 /nfs/dbraw/zinc/19/09/87/207190987.db2.gz PQSVFDYNLVQGFA-AWEZNQCLSA-N 0 0 383.875 5.051 50 10 GKCARN Cc1cc(CNC(=O)Cc2c(F)cccc2Cl)c(C)n1-c1ccc(C)cc1 ZINC000020864950 207216138 /nfs/dbraw/zinc/21/61/38/207216138.db2.gz VLHGZGKVQGFAME-UHFFFAOYSA-N 0 0 384.882 5.054 50 10 GKCARN CCOC(=O)c1ccc(-n2c(-c3ccc(F)cc3)cc3c2CCCCC3)cc1 ZINC000021163583 207227518 /nfs/dbraw/zinc/22/75/18/207227518.db2.gz GMJCBBTYYLCEJI-UHFFFAOYSA-N 0 0 377.459 5.729 50 10 GKCARN C[C@@H](c1ccccc1)N(Cc1nc(-c2ccccc2)no1)Cc1ccccc1O ZINC000095410940 208181717 /nfs/dbraw/zinc/18/17/17/208181717.db2.gz IGFSLPHQSBVPAB-SFHVURJKSA-N 0 0 385.467 5.206 50 10 GKCARN Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000101076645 208385804 /nfs/dbraw/zinc/38/58/04/208385804.db2.gz JFZBWQQOWNVMBU-KEYYUXOJSA-N 0 0 395.127 6.582 50 10 GKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000100148272 208371937 /nfs/dbraw/zinc/37/19/37/208371937.db2.gz YFDHVAURZOFVAM-HZHRSRAPSA-N 0 0 386.426 5.211 50 10 GKCARN Cc1ccccc1N=Nc1cc(C)c(NN=C2C(=O)C=Cc3ccccc32)cc1C ZINC000100048791 208372494 /nfs/dbraw/zinc/37/24/94/208372494.db2.gz NRBKWAQSLYBVSG-ZDXBJJIESA-N 0 0 394.478 8.301 50 10 GKCARN COc1ccc(/N=N\c2cnc(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 ZINC000100349990 208376369 /nfs/dbraw/zinc/37/63/69/208376369.db2.gz GFDWQCNATNKDHN-DQSJHHFOSA-N 0 0 396.450 6.243 50 10 GKCARN CC(C)(C)c1cc([C@H](c2ccccc2O)N2CCOCC2)cc(C(C)(C)C)c1O ZINC000020840269 210363717 /nfs/dbraw/zinc/36/37/17/210363717.db2.gz GYYGKFKKUKBBRU-JOCHJYFZSA-N 0 0 397.559 5.114 50 10 GKCARN Cc1[nH]c2ccc(C)cc2c1/C=C1\SC(=S)N(c2ccccc2F)C1=O ZINC000020117872 210318142 /nfs/dbraw/zinc/31/81/42/210318142.db2.gz SZMFNDZLZPMLGW-ZDLGFXPLSA-N 0 0 382.485 5.330 50 10 GKCARN CC(C)(C)c1ccc(CNC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000020110059 210316686 /nfs/dbraw/zinc/31/66/86/210316686.db2.gz DFHPPMTXSGQCGB-UHFFFAOYSA-N 0 0 383.491 5.048 50 10 GKCARN Oc1ccc(NCc2c(OCc3ccccc3Cl)ccc3ccccc32)cc1 ZINC000002160110 220507339 /nfs/dbraw/zinc/50/73/39/220507339.db2.gz ZUMAVTXQWORTGU-UHFFFAOYSA-N 0 0 389.882 6.390 50 10 GKCARN Oc1ccccc1CNc1ccc(SCc2ccc(Cl)cc2Cl)cc1 ZINC000002544819 220541728 /nfs/dbraw/zinc/54/17/28/220541728.db2.gz JNZUBSDEPJUDBZ-UHFFFAOYSA-N 0 0 390.335 6.603 50 10 GKCARN O=[N+]([O-])c1ccc([C@@H]2Nc3c(C(F)(F)F)ccc(Cl)c3[C@@H]3C=CC[C@H]32)cc1 ZINC000230051459 209003618 /nfs/dbraw/zinc/00/36/18/209003618.db2.gz KPJBPVNCPOHPDZ-XNJGSVPQSA-N 0 0 394.780 6.094 50 10 GKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 ZINC000003065507 220601442 /nfs/dbraw/zinc/60/14/42/220601442.db2.gz KUGXEFUILGCJDF-GDNBJRDFSA-N 0 0 390.327 5.163 50 10 GKCARN Clc1ccc([C@@H]2[C@H]3CC=C[C@@H]3c3cc(Cl)cc4c3N2C[C@H]2CC=C[C@H]42)cc1 ZINC000004309495 220702823 /nfs/dbraw/zinc/70/28/23/220702823.db2.gz NEVXFPDVXYJQFC-DJIOSBNXSA-N 0 0 394.345 6.888 50 10 GKCARN COc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c1OCc1ccccc1 ZINC000004838102 220771879 /nfs/dbraw/zinc/77/18/79/220771879.db2.gz ORFGMSRXXCKEDC-JWGURIENSA-N 0 0 398.462 5.080 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136196133 /nfs/dbraw/zinc/19/61/33/136196133.db2.gz VQOBDUXIBFXMEA-QVCLANMBSA-N 0 0 384.479 5.798 50 10 GKCARN CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N3C[C@H]1CC=C[C@@H]21 ZINC000101123323 136196245 /nfs/dbraw/zinc/19/62/45/136196245.db2.gz ARLIBSQDLKMFGT-HKOYKICGSA-N 0 0 397.518 5.758 50 10 GKCARN Cc1cc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)c(C)n1-c1ccccn1 ZINC000030586658 221701561 /nfs/dbraw/zinc/70/15/61/221701561.db2.gz FJWXNIAURXSLSJ-UHFFFAOYSA-N 0 0 388.496 5.173 50 10 GKCARN CCOc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@H](c3ccccc3O)C2)cc1 ZINC000053363151 222008810 /nfs/dbraw/zinc/00/88/10/222008810.db2.gz LWXGOLUQSGJFCN-UPVQGACJSA-N 0 0 390.458 5.153 50 10 GKCARN COc1ccc(C2=N[C@@H](c3cccc(Cl)c3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000053364844 222009611 /nfs/dbraw/zinc/00/96/11/222009611.db2.gz GYKOZKDUXZVEGM-FYYLOGMGSA-N 0 0 392.886 5.277 50 10 GKCARN COc1ccc([C@@H]2N=C(c3ccc(Cl)cc3)C[C@H](c3ccccc3O)N2)cc1 ZINC000053363462 222010089 /nfs/dbraw/zinc/01/00/89/222010089.db2.gz 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O=C1/C(=C\C=C\c2ccccc2)C(CSc2ccccc2)=NN1c1ccccc1 ZINC000019908949 570229238 /nfs/dbraw/zinc/22/92/38/570229238.db2.gz ISVVRUNMIYXKJR-HLSIQPDHSA-N 0 0 396.515 5.821 50 10 GKCARN Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)c1C ZINC000006055782 570230467 /nfs/dbraw/zinc/23/04/67/570230467.db2.gz SJEILDAQIBMQNW-LZYBPNLTSA-N 0 0 394.348 6.016 50 10 GKCARN COc1ccc([C@@H](NC(=O)Cc2ccccc2)c2c(O)ccc3ccccc32)cc1 ZINC000000970916 570232619 /nfs/dbraw/zinc/23/26/19/570232619.db2.gz VYPUVVGXWOVISS-AREMUKBSSA-N 0 0 397.474 5.002 50 10 GKCARN COc1ccc(Br)cc1[C@@H]1Nc2c(F)cc(F)cc2[C@H]2C=CC[C@H]21 ZINC000001016163 570235120 /nfs/dbraw/zinc/23/51/20/570235120.db2.gz DABIPKHAFYILJH-VEVIJQCQSA-N 0 0 392.243 5.562 50 10 GKCARN Cc1ccc(C2=NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4C)o3)S2)cc1 ZINC000006076791 570235055 /nfs/dbraw/zinc/23/50/55/570235055.db2.gz FKPQVQWUMJFEQT-UDWIEESQSA-N 0 0 393.895 6.278 50 10 GKCARN CN(C)c1ccc(CN(Cc2ccco2)C(=S)Nc2cccc(Cl)c2)cc1 ZINC000001068032 570240254 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CCN(CCO)c1ccc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 ZINC000100374406 570271697 /nfs/dbraw/zinc/27/16/97/570271697.db2.gz IZKMDTFNKCYTOU-FMQUCBEESA-N 0 0 383.235 5.136 50 10 GKCARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)/N=N/C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000043762031 570271717 /nfs/dbraw/zinc/27/17/17/570271717.db2.gz NFTASUQYTUXRSI-JELRZTOPSA-N 0 0 394.556 6.633 50 10 GKCARN CC(=C\c1ccccc1)/C=C1\SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000005180026 570275968 /nfs/dbraw/zinc/27/59/68/570275968.db2.gz CQEZPUNOPHLGEQ-YZXVBUGESA-N 0 0 389.904 5.831 50 10 GKCARN COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2c2ccc(Cl)cc2)cc1 ZINC000006678509 570280193 /nfs/dbraw/zinc/28/01/93/570280193.db2.gz IQNNFVYOFUEOFL-UYRXBGFRSA-N 0 0 394.883 5.245 50 10 GKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000002255912 570280385 /nfs/dbraw/zinc/28/03/85/570280385.db2.gz ZVHAFTKDKBDINT-OKHBPPCESA-N 0 0 394.348 5.956 50 10 GKCARN O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1Cc1ccco1 ZINC000002322581 570282488 /nfs/dbraw/zinc/28/24/88/570282488.db2.gz IELJGUNUUGIEHZ-UYRXBGFRSA-N 0 0 393.489 5.473 50 10 GKCARN O=C1/C(=C/c2ccco2)SC(=S)N1c1ccc(Oc2ccccc2)cc1 ZINC000002324922 570282824 /nfs/dbraw/zinc/28/28/24/570282824.db2.gz GVCFMUQLNOOXJU-AQTBWJFISA-N 0 0 379.462 5.478 50 10 GKCARN [O-]c1ccc(-c2nc3ccccc3s2)cc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000020920283 570285056 /nfs/dbraw/zinc/28/50/56/570285056.db2.gz MZHZYJIAMFIQQJ-UHFFFAOYSA-N 0 0 399.519 5.483 50 10 GKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2nc(C)c(-c3ccccc3)c(N)n2n1 ZINC000002384353 570285272 /nfs/dbraw/zinc/28/52/72/570285272.db2.gz PVSDNAAOLNXILW-UHFFFAOYSA-N 0 0 399.523 5.423 50 10 GKCARN COc1ccc(Cl)c2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 ZINC000000653920 570285355 /nfs/dbraw/zinc/28/53/55/570285355.db2.gz YNCGFOQAHMGLRL-SOZUMNATSA-N 0 0 390.708 5.938 50 10 GKCARN Cc1ccc(NC(=O)CSc2ccccc2NCc2ccccc2O)cc1 ZINC000002544958 570290327 /nfs/dbraw/zinc/29/03/27/570290327.db2.gz HZYRQIVIBARJQV-UHFFFAOYSA-N 0 0 378.497 5.044 50 10 GKCARN Cc1ccc(CN2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1 ZINC000002673263 570294795 /nfs/dbraw/zinc/29/47/95/570294795.db2.gz HBAUCIJBPZKNQS-SXGWCWSVSA-N 0 0 394.348 5.703 50 10 GKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S ZINC000002678064 570294813 /nfs/dbraw/zinc/29/48/13/570294813.db2.gz IZYXURPAHNWCKU-DZBQEORWSA-N 0 0 393.574 5.121 50 10 GKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S ZINC000002696759 570295482 /nfs/dbraw/zinc/29/54/82/570295482.db2.gz DWETYWBEZHUUCZ-LUJRCDHRSA-N 0 0 376.591 5.170 50 10 GKCARN Cc1cc2c(n1-c1ccc(C(=O)NCc3ccccc3Cl)cc1)CCCC2 ZINC000006877854 570295684 /nfs/dbraw/zinc/29/56/84/570295684.db2.gz DOBXMXRTHRDXND-UHFFFAOYSA-N 0 0 378.903 5.248 50 10 GKCARN CCCOc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000033398553 570302571 /nfs/dbraw/zinc/30/25/71/570302571.db2.gz LVJPDAJIKNBMMO-BOPFTXTBSA-N 0 0 389.929 5.535 50 10 GKCARN CCc1cccc(C(=O)C[C@H](c2ccccc2)C2C(=O)c3ccccc3C2=O)c1 ZINC000104931815 570303888 /nfs/dbraw/zinc/30/38/88/570303888.db2.gz 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O=C1N=C(Nc2ccc(Cl)cc2)SC1=Cc1ccc(N2CCCCC2)o1 ZINC000006192018 570324495 /nfs/dbraw/zinc/32/44/95/570324495.db2.gz BPXIYSHTVIYZPT-FOWTUZBSSA-N 0 0 387.892 5.006 50 10 GKCARN O=C1c2ccccc2SC1c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000003138475 570330390 /nfs/dbraw/zinc/33/03/90/570330390.db2.gz VREXEGGZMXOZFU-UHFFFAOYSA-N 0 0 378.305 6.704 50 10 GKCARN O=C1c2ccccc2C(=O)c2c(N3CCCCC3)cc3oc4ccccc4c3c21 ZINC000035326153 570340456 /nfs/dbraw/zinc/34/04/56/570340456.db2.gz OQWZKTRHOAQGRB-UHFFFAOYSA-N 0 0 381.431 5.352 50 10 GKCARN O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(F)cc1 ZINC000004860253 570349826 /nfs/dbraw/zinc/34/98/26/570349826.db2.gz CNRGMJBTDGEDCZ-VGOFMYFVSA-N 0 0 384.284 5.538 50 10 GKCARN C1=C[C@@H]2c3cc(C45CC6CC(CC(C6)C4)C5)ccc3N[C@H](c3cccnc3)[C@@H]2C1 ZINC000006257666 570350293 /nfs/dbraw/zinc/35/02/93/570350293.db2.gz FXKOZSJVNPPUCN-HLPFPJSFSA-N 0 0 382.551 6.376 50 10 GKCARN Brc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@H]32)cc1 ZINC000003880308 570352922 /nfs/dbraw/zinc/35/29/22/570352922.db2.gz YWQSTBRRGMJSAA-KNKQGSTJSA-N 0 0 376.297 6.429 50 10 GKCARN Brc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000003880306 570352977 /nfs/dbraw/zinc/35/29/77/570352977.db2.gz YWQSTBRRGMJSAA-DXIQSLLYSA-N 0 0 376.297 6.429 50 10 GKCARN CCCCc1ccc(Nc2ccc(NC)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000004016086 570354425 /nfs/dbraw/zinc/35/44/25/570354425.db2.gz YRHZAIQJCGLCIH-UHFFFAOYSA-N 0 0 384.479 5.590 50 10 GKCARN COc1ccc(-n2c(-c3ccc(Cl)cc3)cc3c2CC(C)(C)CC3=O)cc1 ZINC000004885006 570354907 /nfs/dbraw/zinc/35/49/07/570354907.db2.gz MKIXXIHSWFCFCN-UHFFFAOYSA-N 0 0 379.887 5.961 50 10 GKCARN COc1ccc(-n2c(-c3ccc(C)cc3)cc3c2CC(C)(C)CC3=O)c(OC)c1 ZINC000004884957 570354965 /nfs/dbraw/zinc/35/49/65/570354965.db2.gz SEMKRUBNDRTHSD-UHFFFAOYSA-N 0 0 389.495 5.625 50 10 GKCARN CCN1C(=O)/C(=C/c2ccc(O[C@H](C)c3ccccc3)c(OC)c2)SC1=S ZINC000006274669 570357404 /nfs/dbraw/zinc/35/74/04/570357404.db2.gz NBOQIAAWBJSLBI-RMENWYJGSA-N 0 0 399.537 5.056 50 10 GKCARN COc1ccccc1NC(=O)c1c2c(sc1NCc1ccc(C)o1)CCC2 ZINC000004155144 570360150 /nfs/dbraw/zinc/36/01/50/570360150.db2.gz NTURWFZBIIJIDJ-UHFFFAOYSA-N 0 0 382.485 5.011 50 10 GKCARN Cc1ccnc(N[C@@H](c2ccc(OC(C)C)cc2)c2ccc3cccnc3c2O)c1 ZINC000004178177 570361159 /nfs/dbraw/zinc/36/11/59/570361159.db2.gz YKZKWSQMGGRFSG-QHCPKHFHSA-N 0 0 399.494 5.633 50 10 GKCARN Cc1cc(C(=O)CSc2nc(C)nc3sccc32)c(C)n1-c1ccccc1 ZINC000004191051 570362244 /nfs/dbraw/zinc/36/22/44/570362244.db2.gz DGVGDYQNDNTZQF-UHFFFAOYSA-N 0 0 393.537 5.382 50 10 GKCARN CCc1ccccc1-n1c(C)c(C(=O)OC)cc1-c1ccc(Br)cc1 ZINC000004237722 570363895 /nfs/dbraw/zinc/36/38/95/570363895.db2.gz RFGZTJLXUOGUIC-UHFFFAOYSA-N 0 0 398.300 5.564 50 10 GKCARN Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000004309367 570366656 /nfs/dbraw/zinc/36/66/56/570366656.db2.gz BIORLBXGJKUVSB-RVPKQNPDSA-N 0 0 385.121 7.127 50 10 GKCARN Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000004309369 570366694 /nfs/dbraw/zinc/36/66/94/570366694.db2.gz BIORLBXGJKUVSB-PSVSLLHZSA-N 0 0 385.121 7.127 50 10 GKCARN Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000004309368 570366890 /nfs/dbraw/zinc/36/68/90/570366890.db2.gz BIORLBXGJKUVSB-DINDLPBHSA-N 0 0 385.121 7.127 50 10 GKCARN O=[N+]([O-])c1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(F)cc4c3N2C[C@H]2CC=C[C@H]42)cc1 ZINC000004321283 570367581 /nfs/dbraw/zinc/36/75/81/570367581.db2.gz NCRCCPRHMJZJEF-MSBWEVJISA-N 0 0 388.442 5.628 50 10 GKCARN CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1 ZINC000004329486 570368203 /nfs/dbraw/zinc/36/82/03/570368203.db2.gz OCLKWPRGEPXEIP-QHCPKHFHSA-N 0 0 375.903 5.762 50 10 GKCARN Cn1c(-c2ccc(Cl)cc2)cnc1SCc1c(Cl)cccc1Cl ZINC000004339230 570369356 /nfs/dbraw/zinc/36/93/56/570369356.db2.gz GEOBXHFLZAYHDD-UHFFFAOYSA-N 0 0 383.731 6.340 50 10 GKCARN Cc1ccc(OCCc2ccccc2)c(NN=C2C(=O)C=Cc3ccccc32)c1 ZINC000004419446 570374727 /nfs/dbraw/zinc/37/47/27/570374727.db2.gz YMZHXZISIRPOSW-CYYJNZCTSA-N 0 0 382.463 6.891 50 10 GKCARN Cc1ccc(NCN2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)cc1 ZINC000004457703 570376052 /nfs/dbraw/zinc/37/60/52/570376052.db2.gz BEGXHDJXLFPOSH-UNOMPAQXSA-N 0 0 382.554 5.389 50 10 GKCARN Cc1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000000828287 570378191 /nfs/dbraw/zinc/37/81/91/570378191.db2.gz VQOBDUXIBFXMEA-LBUOEMMASA-N 0 0 384.479 5.798 50 10 GKCARN Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccc(C)c(C)c1 ZINC000004499406 570379598 /nfs/dbraw/zinc/37/95/98/570379598.db2.gz FVPGBLJAJBRBLQ-IWIPYMOSSA-N 0 0 383.495 5.517 50 10 GKCARN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4)o3)SC2=S)cc1 ZINC000004512553 570380875 /nfs/dbraw/zinc/38/08/75/570380875.db2.gz BKGZJWRANKZDHV-CPNJWEJPSA-N 0 0 393.489 5.361 50 10 GKCARN Cc1[nH]c2ccccc2c1/C=C/c1nc2ccccc2c(=O)n1Cc1ccccc1 ZINC000004550559 570383831 /nfs/dbraw/zinc/38/38/31/570383831.db2.gz NWKJHEFCDOTXDQ-FOCLMDBBSA-N 0 0 391.474 5.405 50 10 GKCARN Fc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 ZINC000004975207 570387226 /nfs/dbraw/zinc/38/72/26/570387226.db2.gz PATGJBRXGOWEMN-HNYWDRBLSA-N 0 0 388.236 5.143 50 10 aggregator GKCARN COc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)cc1 ZINC000004631201 570389034 /nfs/dbraw/zinc/38/90/34/570389034.db2.gz AZRSNEKCPHXKFJ-JOCHJYFZSA-N 0 0 385.467 5.162 50 10 GKCARN COc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc1C ZINC000004631185 570389103 /nfs/dbraw/zinc/38/91/03/570389103.db2.gz DKQBPEMVMILWCL-QHCPKHFHSA-N 0 0 399.494 5.471 50 10 GKCARN O=C1N=C(Nc2ccc(Cl)cc2Cl)SC1=Cc1c[nH]c2ccccc12 ZINC000004980705 570389343 /nfs/dbraw/zinc/38/93/43/570389343.db2.gz OYSYEYPBKTUHFY-APSNUPSMSA-N 0 0 388.279 5.557 50 10 GKCARN FC(F)(F)c1ccccc1[C@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@@H]21 ZINC000004661118 570390556 /nfs/dbraw/zinc/39/05/56/570390556.db2.gz ZXYAQJUUELYZIL-PRXAMGSTSA-N 0 0 394.234 6.294 50 10 GKCARN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1 ZINC000035539781 570391967 /nfs/dbraw/zinc/39/19/67/570391967.db2.gz VYCSWZWBWKGGLZ-UHFFFAOYSA-N 0 0 398.466 5.274 50 10 GKCARN COc1ccc(C)cc1N[C@@H](c1ccc(F)cc1)c1ccc2cccnc2c1O ZINC000005009307 570394982 /nfs/dbraw/zinc/39/49/82/570394982.db2.gz YOYNEULMQQSMAC-QFIPXVFZSA-N 0 0 388.442 5.598 50 10 GKCARN CCCCOc1ccc(NC=C2SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000005021775 570398394 /nfs/dbraw/zinc/39/83/94/570398394.db2.gz XJROSSXZMSOHKE-JXAWBTAJSA-N 0 0 390.574 5.312 50 10 GKCARN COc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)cc1 ZINC000004738984 570400310 /nfs/dbraw/zinc/40/03/10/570400310.db2.gz OMTCTIZBMXTDMA-XDJHFCHBSA-N 0 0 387.866 5.820 50 10 GKCARN O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccc(Cl)cc1 ZINC000004738987 570400378 /nfs/dbraw/zinc/40/03/78/570400378.db2.gz XVTMYLFNDWBWEQ-NBVRZTHBSA-N 0 0 392.285 6.465 50 10 GKCARN O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccc(F)cc1 ZINC000004746799 570401828 /nfs/dbraw/zinc/40/18/28/570401828.db2.gz NNBKJOKHMFAOCR-RIYZIHGNSA-N 0 0 384.284 5.538 50 10 GKCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2 ZINC000004759839 570404027 /nfs/dbraw/zinc/40/40/27/570404027.db2.gz ZLKQTLDMIYDCCR-HLIPFELVSA-N 0 0 398.300 5.452 50 10 GKCARN CC[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc21 ZINC000005046801 570405771 /nfs/dbraw/zinc/40/57/71/570405771.db2.gz UFUQPSHAQYBXMR-IBGZPJMESA-N 0 0 391.511 5.162 50 10 GKCARN COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(C)=O)cc2[C@H]2C=CC[C@@H]21 ZINC000004821437 570408834 /nfs/dbraw/zinc/40/88/34/570408834.db2.gz FGWJVUVUPVNYQO-CKJXQJPGSA-N 0 0 398.300 5.487 50 10 GKCARN Oc1ccccc1[C@@H]1Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 ZINC000090715377 570411116 /nfs/dbraw/zinc/41/11/16/570411116.db2.gz FKEXVKROWRMIGK-RUZDIDTESA-N 0 0 379.459 5.825 50 10 GKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000004997058 570422729 /nfs/dbraw/zinc/42/27/29/570422729.db2.gz GKEYCDDKCQCTRP-GHVJWSGMSA-N 0 0 380.791 5.916 50 10 GKCARN COc1ccccc1N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S ZINC000005008811 570423538 /nfs/dbraw/zinc/42/35/38/570423538.db2.gz VIEJYYLCAPBXSU-OVCLIPMQSA-N 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570492430 /nfs/dbraw/zinc/49/24/30/570492430.db2.gz JRLLOMILHWOVAH-XMHGGMMESA-N 0 0 398.418 5.075 50 10 GKCARN CC(C)c1ccc(C2=C/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1 ZINC000002056173 570501150 /nfs/dbraw/zinc/50/11/50/570501150.db2.gz MHDWPMKXOVZSLV-JLPGSUDCSA-N 0 0 396.486 6.370 50 10 GKCARN CCN(CC)c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000033924055 570507871 /nfs/dbraw/zinc/50/78/71/570507871.db2.gz GLDAWBSWGZCSOH-QGOAFFKASA-N 0 0 386.904 5.427 50 10 GKCARN O=[N+]([O-])c1ccc(-c2csc(NCc3c(O)ccc4ccccc43)n2)cc1 ZINC000002826587 570519410 /nfs/dbraw/zinc/51/94/10/570519410.db2.gz REVRIYWCOUBTDG-UHFFFAOYSA-N 0 0 377.425 5.189 50 10 GKCARN Cc1cc(C)cc(NCc2c(O)ccc3c(C)c(Cc4ccccc4)c(=O)oc32)c1 ZINC000006662468 570525667 /nfs/dbraw/zinc/52/56/67/570525667.db2.gz XPFWGZOXKHYQHC-UHFFFAOYSA-N 0 0 399.490 5.627 50 10 GKCARN CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4O)=NN32)cc1 ZINC000006721613 570550194 /nfs/dbraw/zinc/55/01/94/570550194.db2.gz OTSIHDQYSYRJLK-XUZZJYLKSA-N 0 0 386.451 5.033 50 10 GKCARN Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccsc1 ZINC000006721639 570550226 /nfs/dbraw/zinc/55/02/26/570550226.db2.gz NBYDNFZHSQTOBA-FXAWDEMLSA-N 0 0 382.872 5.349 50 10 GKCARN Cc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccsc2)c1 ZINC000006721699 570550423 /nfs/dbraw/zinc/55/04/23/570550423.db2.gz FAUDGJUSQSZCOA-GHTZIAJQSA-N 0 0 396.899 5.658 50 10 GKCARN COC(=O)c1ccccc1Nc1c(-c2ccc(C)o2)nc2ccc(Cl)cn21 ZINC000035616098 570556326 /nfs/dbraw/zinc/55/63/26/570556326.db2.gz NYOFKXXZTQQZKZ-UHFFFAOYSA-N 0 0 381.819 5.086 50 10 GKCARN CC(C)Nc1cc(N2CCC(C)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006737933 570562126 /nfs/dbraw/zinc/56/21/26/570562126.db2.gz IEOQLYYEBHMZOO-UHFFFAOYSA-N 0 0 375.472 5.096 50 10 GKCARN CC(C)CNc1cc(N2CCC(C)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006737898 570562206 /nfs/dbraw/zinc/56/22/06/570562206.db2.gz SGBOVYFUAKLGJR-UHFFFAOYSA-N 0 0 389.499 5.343 50 10 GKCARN COc1cc(C)ccc1C1=C/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)O1 ZINC000002049966 570586951 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570882759 /nfs/dbraw/zinc/88/27/59/570882759.db2.gz FVAFZNALYZHRMV-DIEAGAGHSA-N 0 0 393.505 6.873 50 10 GKCARN Cc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000004729197 570884213 /nfs/dbraw/zinc/88/42/13/570884213.db2.gz NITYMXZFIUSRRK-GGAORHGYSA-N 0 0 376.887 5.577 50 10 GKCARN CCCCCC[C@]1(C)N=C(c2ccc(Cl)cc2)C[C@H](c2ccccc2O)N1 ZINC000004729864 570884845 /nfs/dbraw/zinc/88/48/45/570884845.db2.gz QYHFSKBMZCWCKC-FYYLOGMGSA-N 0 0 384.951 6.256 50 10 GKCARN O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1Cc1ccccc1 ZINC000015011918 570900934 /nfs/dbraw/zinc/90/09/34/570900934.db2.gz GXVYGJPQTIYJIG-OVCLIPMQSA-N 0 0 380.321 5.395 50 10 GKCARN CCCCS(=O)(CCCC)=Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000034592540 570913416 /nfs/dbraw/zinc/91/34/16/570913416.db2.gz DLHOORRYNJXWET-UHFFFAOYSA-N 0 0 383.513 5.162 50 10 GKCARN CCN(CC)c1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1 ZINC000019228630 570924236 /nfs/dbraw/zinc/92/42/36/570924236.db2.gz VRIMPIZNKJYYKY-UHFFFAOYSA-N 0 0 399.582 5.549 50 10 GKCARN Clc1cccc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)c1Cl ZINC000004045310 570924546 /nfs/dbraw/zinc/92/45/46/570924546.db2.gz VIBNAEAIBCWWRI-VNBZBWLYSA-N 0 0 395.127 6.582 50 10 GKCARN CN(C)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000019926362 570924882 /nfs/dbraw/zinc/92/48/82/570924882.db2.gz HQCKEOFGWSJNCL-DENIHFKCSA-N 0 0 393.874 5.241 50 10 GKCARN CSc1ccc(NC(=O)Nc2cc(C)ccc2/N=N/c2ccc(C)cc2)cc1 ZINC000017024790 570937630 /nfs/dbraw/zinc/93/76/30/570937630.db2.gz NZRCWRBLNUTSPK-OCEACIFDSA-N 0 0 390.512 7.085 50 10 GKCARN C/C=C/c1ccc(Oc2ccc3noc4c3c2C(=O)c2ccccc2-4)c(OC)c1 ZINC000002101202 570942102 /nfs/dbraw/zinc/94/21/02/570942102.db2.gz SMEKTXRVVZRETP-ZZXKWVIFSA-N 0 0 383.403 5.873 50 10 biogenic GKCARN O=C(Nc1ccccc1F)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000032933007 570945887 /nfs/dbraw/zinc/94/58/87/570945887.db2.gz KEUFIOARTJXQGF-QHCPKHFHSA-N 0 0 386.426 5.596 50 10 GKCARN CN(c1ccccc1)c1ccc(/N=N/c2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000004733902 570948320 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386.517 5.078 50 10 GKCARN COc1cccc(C=C2SC(Nc3cccc(Cl)c3Cl)=NC2=O)c1 ZINC000013768522 207000061 /nfs/dbraw/zinc/00/00/61/207000061.db2.gz KQSBDFQGGIYFCP-ZROIWOOFSA-N 0 0 379.268 5.084 50 10 GKCARN CCN(CC)c1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000015009918 207040416 /nfs/dbraw/zinc/04/04/16/207040416.db2.gz VEZYCNLRESYQBX-PDGQHHTCSA-N 0 0 386.904 5.427 50 10 GKCARN CCOc1ccc(N2C(=O)/C(=C\C(C)=C/c3ccccc3)SC2=S)cc1 ZINC000017281768 207087549 /nfs/dbraw/zinc/08/75/49/207087549.db2.gz WMLMOMKYIRQDLM-BGBJRWHRSA-N 0 0 381.522 5.437 50 10 GKCARN CCOC(=O)c1cccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 ZINC000018191764 207095742 /nfs/dbraw/zinc/09/57/42/207095742.db2.gz JJRXNMXFNXPOKB-BYYHNAKLSA-N 0 0 396.450 6.336 50 10 GKCARN O=C(c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1)N1CCCC1 ZINC000020902471 207219610 /nfs/dbraw/zinc/21/96/10/207219610.db2.gz WZXCWCWVLKUYJN-UHFFFAOYSA-N 0 0 384.523 5.649 50 10 GKCARN COc1ccc(-n2c(C)cc(C(=O)Nc3cc(Cl)ccc3OC)c2C)cc1 ZINC000022006316 207245239 /nfs/dbraw/zinc/24/52/39/207245239.db2.gz SIAKOEGWPCAPIF-UHFFFAOYSA-N 0 0 384.863 5.017 50 10 GKCARN CN1c2ccccc2C(C)(C)/C1=C/c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000095352097 208158736 /nfs/dbraw/zinc/15/87/36/208158736.db2.gz KTZDPFHMUPGVEP-NKFKGCMQSA-N 0 0 391.518 6.512 50 10 GKCARN C[C@H](c1ccccc1)N(Cc1nc(-c2ccccc2)no1)Cc1ccccc1O ZINC000095410941 208181086 /nfs/dbraw/zinc/18/10/86/208181086.db2.gz IGFSLPHQSBVPAB-GOSISDBHSA-N 0 0 385.467 5.206 50 10 GKCARN CCN(CC)c1ccc(CN(C(=O)c2ccc(Cl)cc2)c2ccccn2)cc1 ZINC000028291141 210525653 /nfs/dbraw/zinc/52/56/53/210525653.db2.gz LIIUISZBWOQZTE-UHFFFAOYSA-N 0 0 393.918 5.428 50 10 GKCARN CCN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)c2ccccc21 ZINC000096236471 208290820 /nfs/dbraw/zinc/29/08/20/208290820.db2.gz UKDHVJMABZWIDF-KQWNVCNZSA-N 0 0 378.475 5.597 50 10 GKCARN Cc1ccc(-c2nc(-c3ccncc3)ncc2/N=N\c2cccc(C)c2C)cc1 ZINC000100135259 208371567 /nfs/dbraw/zinc/37/15/67/208371567.db2.gz FISVLCHWFDBXCA-ZIADKAODSA-N 0 0 379.467 6.546 50 10 GKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1C ZINC000023402435 210446258 /nfs/dbraw/zinc/44/62/58/210446258.db2.gz UGTAUWVBQSLPOY-KQWNVCNZSA-N 0 0 382.463 5.380 50 10 GKCARN CC[NH+](CC)Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc21 ZINC000019791521 210298550 /nfs/dbraw/zinc/29/85/50/210298550.db2.gz XAIKVBJJAGTVAY-UHFFFAOYSA-N 0 0 391.389 5.026 50 10 biogenic GKCARN CN1C(=O)/C(=C/C=C2/Sc3ccccc3N2c2ccccc2)SC1=S ZINC000006226915 208676249 /nfs/dbraw/zinc/67/62/49/208676249.db2.gz NUKCLJMJXZIQGL-QJWWANOYSA-N 0 0 382.535 5.146 50 10 GKCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2 ZINC000001408607 220495268 /nfs/dbraw/zinc/49/52/68/220495268.db2.gz ANSKEBAPMGMQFR-MBOZVWFJSA-N 0 0 387.401 5.709 50 10 GKCARN O=C1/C(=C\c2cccc(C(F)(F)F)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000002188993 220509283 /nfs/dbraw/zinc/50/92/83/220509283.db2.gz VLPJASAMTUDBHS-RIYZIHGNSA-N 0 0 399.846 5.765 50 10 GKCARN Cn1c(/C=C\c2cn(Cc3ccccc3)c3ccccc23)nc2ccccc2c1=O ZINC000033414271 208997251 /nfs/dbraw/zinc/99/72/51/208997251.db2.gz YNNSBSIODRRFMU-NXVVXOECSA-N 0 0 391.474 5.107 50 10 GKCARN CCCC(=O)Nc1sc(-c2ccccc2)c(-c2ccccc2)c1C(=O)OCC ZINC000002998261 220594667 /nfs/dbraw/zinc/59/46/67/220594667.db2.gz VGRWPYVEJAUDHK-UHFFFAOYSA-N 0 0 393.508 5.997 50 10 GKCARN CCCN(CCC)c1ccc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc1 ZINC000003032772 220598101 /nfs/dbraw/zinc/59/81/01/220598101.db2.gz RBFZSAPAYBQFFL-HMMYKYKNSA-N 0 0 382.891 5.311 50 10 GKCARN O=C1c2ccccc2C(=O)C1(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 ZINC000003278281 220621553 /nfs/dbraw/zinc/62/15/53/220621553.db2.gz STJSPUYAIBUUMM-UHFFFAOYSA-N 0 0 395.285 5.844 50 10 GKCARN O=[N+]([O-])c1cc(Cl)cc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000006220256 220925458 /nfs/dbraw/zinc/92/54/58/220925458.db2.gz XSBOMXKPOOWHDO-BWACUDIHSA-N 0 0 395.673 6.382 50 10 GKCARN CC1=NN(c2ccccc2)C(=O)/C1=C(/C=C\c1ccc(Cl)cc1)c1ccccc1 ZINC000097360031 209015827 /nfs/dbraw/zinc/01/58/27/209015827.db2.gz UGXNVJOZPKRBDE-HMVXRPTCSA-N 0 0 398.893 6.230 50 10 GKCARN CCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2[C@H](C)c2ccccc2)c1O ZINC000008725851 221053118 /nfs/dbraw/zinc/05/31/18/221053118.db2.gz ZIYUILWELWYFTR-WAIKUNEKSA-N 0 0 388.467 5.119 50 10 GKCARN Cc1cc(CNC(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccccc1 ZINC000009228853 221074766 /nfs/dbraw/zinc/07/47/66/221074766.db2.gz QQDVSTWCTKOKLX-UHFFFAOYSA-N 0 0 398.304 5.178 50 10 GKCARN COc1ccc(C)cc1NC(=O)NCc1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000009228812 221074881 /nfs/dbraw/zinc/07/48/81/221074881.db2.gz VNRSCKZIPRDTKJ-UHFFFAOYSA-N 0 0 397.906 5.386 50 10 GKCARN COCc1cccc(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc32)c1 ZINC000010912782 221108140 /nfs/dbraw/zinc/10/81/40/221108140.db2.gz XEZAXOYZLBTXRH-VWLOTQADSA-N 0 0 397.474 5.211 50 10 GKCARN CC[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C)oc21 ZINC000012599675 221213241 /nfs/dbraw/zinc/21/32/41/221213241.db2.gz MFGLRGZFHYYCAC-GOSISDBHSA-N 0 0 377.484 5.239 50 10 GKCARN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 ZINC000013615517 221276904 /nfs/dbraw/zinc/27/69/04/221276904.db2.gz AQNGEGAZQNCRRW-FMTVUPSXSA-N 0 0 391.254 5.737 50 10 GKCARN Cn1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000013602832 221277258 /nfs/dbraw/zinc/27/72/58/221277258.db2.gz KBRNLTUDDSGKPV-MFOYZWKCSA-N 0 0 384.913 5.238 50 10 GKCARN Oc1ccc(Cl)cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000013616335 221277367 /nfs/dbraw/zinc/27/73/67/221277367.db2.gz YPXIZQUBWWUPJV-KNQAVFIVSA-N 0 0 376.843 5.288 50 10 GKCARN Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C)c1 ZINC000013785820 221289089 /nfs/dbraw/zinc/28/90/89/221289089.db2.gz DAPQGLIANAAJSY-STZFKDTASA-N 0 0 388.492 5.643 50 10 GKCARN COc1ccc2c(c1)S[C@@H](c1cccc(F)c1)CCN2Cc1cn(C)nc1C ZINC000014996334 221325513 /nfs/dbraw/zinc/32/55/13/221325513.db2.gz YKRSHOSVTZJZRN-OAQYLSRUSA-N 0 0 397.519 5.120 50 10 GKCARN COc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccc3ccccc3c2)N=C1C ZINC000015016442 221326463 /nfs/dbraw/zinc/32/64/63/221326463.db2.gz UKMHOWOLNPUOON-MOSHPQCFSA-N 0 0 376.843 5.308 50 10 GKCARN O=C1C(=CC=CC=CNc2ccccc2)SC(=S)N1Cc1ccccc1 ZINC000015636518 221337354 /nfs/dbraw/zinc/33/73/54/221337354.db2.gz PELKFTHIRBHGRQ-BLOSECNYSA-N 0 0 378.522 5.113 50 10 GKCARN CCOc1cccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)c1 ZINC000018190449 221389130 /nfs/dbraw/zinc/38/91/30/221389130.db2.gz XKIAXDVGTLQPMF-JOCHJYFZSA-N 0 0 385.467 5.244 50 10 GKCARN Cc1cc(C)cc(Oc2coc3c(ccc([O-])c3C[NH+]3CCC(C)CC3)c2=O)c1 ZINC000019791714 221453851 /nfs/dbraw/zinc/45/38/51/221453851.db2.gz LCSCSELEPDBRDY-UHFFFAOYSA-N 0 0 393.483 5.140 50 10 GKCARN Cc1cc(=O)oc2c1ccc1c2CN(c2ccc(OCc3ccccc3)cc2)CO1 ZINC000002114549 136193260 /nfs/dbraw/zinc/19/32/60/136193260.db2.gz SIZCRMPDXHIEIE-UHFFFAOYSA-N 0 0 399.446 5.037 50 10 biogenic GKCARN CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccccc1)[C@H]1CC=C[C@@H]21 ZINC000003998611 136193660 /nfs/dbraw/zinc/19/36/60/136193660.db2.gz ARLIBSQDLKMFGT-FYQWESGASA-N 0 0 397.518 5.758 50 10 GKCARN Oc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=N[C@H](c2ccc(Cl)cc2)N1 ZINC000053363521 222008948 /nfs/dbraw/zinc/00/89/48/222008948.db2.gz TXUHOCWOHJNUOL-IRLDBZIGSA-N 0 0 397.305 5.922 50 10 GKCARN COc1ccccc1[C@@H]1N=C(c2ccc(Cl)cc2)C[C@@H](c2ccccc2O)N1 ZINC000053363442 222009073 /nfs/dbraw/zinc/00/90/73/222009073.db2.gz QXRSZGXVBKXVKP-NZQKXSOJSA-N 0 0 392.886 5.277 50 10 GKCARN Cc1ccc([C@@H]2N=C(c3ccc(Cl)cc3)C[C@H](c3ccccc3O)N2)cc1 ZINC000053363454 222009082 /nfs/dbraw/zinc/00/90/82/222009082.db2.gz BMBRDDYTNNOPMH-FYYLOGMGSA-N 0 0 376.887 5.577 50 10 GKCARN CCOc1ccc(C2=N[C@H](c3ccc(C)cc3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000053363074 222010009 /nfs/dbraw/zinc/01/00/09/222010009.db2.gz XCNDWTFGVVDEOV-NOZRDPDXSA-N 0 0 386.495 5.322 50 10 GKCARN COc1ccc([C@H]2N=C(c3ccc(Cl)cc3)C[C@H](c3ccccc3O)N2)cc1 ZINC000053363463 222010138 /nfs/dbraw/zinc/01/01/38/222010138.db2.gz YTMUYFSGXJPTPW-GGAORHGYSA-N 0 0 392.886 5.277 50 10 GKCARN Cc1ccsc1[C@H]1N=C(c2ccccc2O)C[C@H](c2cc(Cl)ccc2O)N1 ZINC000058083421 222039367 /nfs/dbraw/zinc/03/93/67/222039367.db2.gz CWWHATHNDCDFTA-UTKZUKDTSA-N 0 0 398.915 5.344 50 10 GKCARN COc1ccc(C2=N[C@H](c3ccsc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000058083447 222039569 /nfs/dbraw/zinc/03/95/69/222039569.db2.gz KFZQLGRTBCKKQH-CTNGQTDRSA-N 0 0 398.915 5.338 50 10 GKCARN COc1ccc(Br)cc1[C@@H]1Nc2c(F)cc(F)cc2[C@@H]2C=CC[C@@H]21 ZINC000059267139 222055571 /nfs/dbraw/zinc/05/55/71/222055571.db2.gz DABIPKHAFYILJH-FHSNZYRGSA-N 0 0 392.243 5.562 50 10 GKCARN CCOC(=O)c1c2cc(OC)c(-c3cccnc3)cc2n(C)c1-c1ccccc1 ZINC000085392452 222322724 /nfs/dbraw/zinc/32/27/24/222322724.db2.gz YPRPXCFDSKVOPC-UHFFFAOYSA-N 0 0 386.451 5.093 50 10 GKCARN Clc1cccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)c1Cl ZINC000101138126 222467589 /nfs/dbraw/zinc/46/75/89/222467589.db2.gz VIBNAEAIBCWWRI-FTLABTOESA-N 0 0 395.127 6.582 50 10 GKCARN COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000169682360 222537402 /nfs/dbraw/zinc/53/74/02/222537402.db2.gz FBSXSUYXNQBFBZ-GPMSIDNRSA-N 0 0 384.273 5.062 50 10 GKCARN CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000169690003 222538755 /nfs/dbraw/zinc/53/87/55/222538755.db2.gz MSASTMHEDHIUQX-XQBPLPMBSA-N 0 0 381.903 5.979 50 10 GKCARN CCN(CC)c1cc(C)c2cc(NC(=O)/C=C/c3ccccc3Cl)ccc2n1 ZINC000004757328 520876389 /nfs/dbraw/zinc/87/63/89/520876389.db2.gz SLEIYYZBIUNMAV-JLHYYAGUSA-N 0 0 393.918 5.695 50 10 GKCARN CC(=Cc1ccccc1)C=C1SC(Nc2ccc(Cl)cc2Cl)=NC1=O ZINC000027229188 526387609 /nfs/dbraw/zinc/38/76/09/526387609.db2.gz KORBUFFAWXBKDH-GRALHKOYSA-N 0 0 389.307 6.022 50 10 GKCARN Cc1cc2n(n1)[C@@H](c1cc(C(C)(C)C)c(O)cc1O)Nc1c(C)cc(C)cc1-2 ZINC000006044074 570221391 /nfs/dbraw/zinc/22/13/91/570221391.db2.gz GOYLCZYZRPNXPH-QFIPXVFZSA-N 0 0 377.488 5.156 50 10 GKCARN Cc1cccc(OCC(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc32)c1 ZINC000000943244 570230894 /nfs/dbraw/zinc/23/08/94/570230894.db2.gz DJKUTRLDKFXAES-AREMUKBSSA-N 0 0 397.474 5.138 50 10 GKCARN CCOc1ccc(N2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)cc1 ZINC000000970671 570232185 /nfs/dbraw/zinc/23/21/85/570232185.db2.gz WMLMOMKYIRQDLM-FQHLDWHWSA-N 0 0 381.522 5.437 50 10 GKCARN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1 ZINC000000970681 570232295 /nfs/dbraw/zinc/23/22/95/570232295.db2.gz CZHDCYHRVRCCCU-XSFVSMFZSA-N 0 0 390.533 5.500 50 10 GKCARN COc1cc2c(cc1NCC(=O)Nc1ccc(C)cc1F)oc1ccccc12 ZINC000011619424 570237721 /nfs/dbraw/zinc/23/77/21/570237721.db2.gz ODQMTEIMQZULAA-UHFFFAOYSA-N 0 0 378.403 5.093 50 10 GKCARN Cc1c(C(=O)Nc2ccccc2)cc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000001046822 570238234 /nfs/dbraw/zinc/23/82/34/570238234.db2.gz ZIVKYLZDZQEEGV-UHFFFAOYSA-N 0 0 386.882 6.358 50 10 GKCARN O=C(Nc1ccc(Oc2cccc3ccccc32)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001151514 570249166 /nfs/dbraw/zinc/24/91/66/570249166.db2.gz CHZIXMHABGOBND-UHFFFAOYSA-N 0 0 384.391 5.793 50 10 GKCARN CC(C)Cc1noc(CSc2ncc(-c3ccccc3)n2Cc2ccco2)n1 ZINC000048375223 570249244 /nfs/dbraw/zinc/24/92/44/570249244.db2.gz PEAVDIJFRCNBIS-UHFFFAOYSA-N 0 0 394.500 5.065 50 10 GKCARN COc1ccc2c3ccc(OCc4ccc5ccccc5c4)cc3oc(=O)c2c1 ZINC000001164227 570252402 /nfs/dbraw/zinc/25/24/02/570252402.db2.gz RYMNPMUGCPGTHL-UHFFFAOYSA-N 0 0 382.415 5.687 50 10 GKCARN Cc1c2cc(Cl)c([O-])c(C[NH+]3CCCCC3)c2oc(=O)c1Cc1ccccc1 ZINC000020332586 570252651 /nfs/dbraw/zinc/25/26/51/570252651.db2.gz UUCGNINPDICURJ-UHFFFAOYSA-N 0 0 397.902 5.037 50 10 GKCARN O=C1NC(=S)S/C1=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000001180750 570255114 /nfs/dbraw/zinc/25/51/14/570255114.db2.gz KSCYEBSZWSPKGR-OVCLIPMQSA-N 0 0 396.320 5.061 50 10 GKCARN Cc1ccc(Cl)c2c1N[C@H](c1ccc(OC3CSC3)cc1)[C@H]1CC=C[C@@H]21 ZINC000001461868 570263750 /nfs/dbraw/zinc/26/37/50/570263750.db2.gz ZSHHPKIRTAAKPX-KGVIQGDOSA-N 0 0 383.944 5.969 50 10 GKCARN CC[N@H+](Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C1CCCCC1 ZINC000001782051 570268399 /nfs/dbraw/zinc/26/83/99/570268399.db2.gz QKFSABWPXDOIEX-UHFFFAOYSA-N 0 0 377.484 5.320 50 10 biogenic GKCARN O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21)c1ccccc1Cl ZINC000001782195 570268426 /nfs/dbraw/zinc/26/84/26/570268426.db2.gz VCSPTDWYLJBNPY-QHCPKHFHSA-N 0 0 387.866 5.718 50 10 aggregator GKCARN Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000002059299 570272885 /nfs/dbraw/zinc/27/28/85/570272885.db2.gz BIORLBXGJKUVSB-WVQJBOLRSA-N 0 0 385.121 7.127 50 10 GKCARN Cc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)cc1C ZINC000006131684 570276279 /nfs/dbraw/zinc/27/62/79/570276279.db2.gz VZJIDZUAIBCLMJ-DEDYPNTBSA-N 0 0 375.518 5.862 50 10 GKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000002255914 570280353 /nfs/dbraw/zinc/28/03/53/570280353.db2.gz ZVHAFTKDKBDINT-FFCYNSPCSA-N 0 0 394.348 5.956 50 10 GKCARN O=[N+]([O-])c1ccc([C@@H]2Nc3c(C(F)(F)F)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000101695646 570284511 /nfs/dbraw/zinc/28/45/11/570284511.db2.gz KPJBPVNCPOHPDZ-IGCXYCKISA-N 0 0 394.780 6.094 50 10 GKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc(O)c(OCC)c2)SC1=S ZINC000002678046 570294760 /nfs/dbraw/zinc/29/47/60/570294760.db2.gz JINJDAOZAQCVNC-IIMQCXAKSA-N 0 0 393.574 5.209 50 10 GKCARN CC[C@@H](C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000002673133 570294912 /nfs/dbraw/zinc/29/49/12/570294912.db2.gz DGKPGJJKOXILRN-JPVKTXQWSA-N 0 0 383.538 5.265 50 10 GKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S ZINC000002696755 570295483 /nfs/dbraw/zinc/29/54/83/570295483.db2.gz DWETYWBEZHUUCZ-QLENYVDCSA-N 0 0 376.591 5.170 50 10 GKCARN Oc1c([C@@H](Nc2ccccn2)c2cccc(Cl)c2Cl)ccc2cccnc21 ZINC000002742970 570297595 /nfs/dbraw/zinc/29/75/95/570297595.db2.gz FMUBUUSODRAEMS-FQEVSTJZSA-N 0 0 396.277 5.844 50 10 GKCARN CC(C)(C)c1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 ZINC000002745421 570297831 /nfs/dbraw/zinc/29/78/31/570297831.db2.gz RWFNQAOHQVYJRV-QFIPXVFZSA-N 0 0 383.495 5.834 50 10 GKCARN O=C1/C(=C/C=C/c2ccccc2Cl)SC(=S)N1c1ccc(Cl)cc1 ZINC000033399216 570302730 /nfs/dbraw/zinc/30/27/30/570302730.db2.gz JGOWSQMGIUVVEL-JLJGJNDSSA-N 0 0 392.332 5.955 50 10 GKCARN CCCCOc1ccccc1NC1(c2ccccc2)C(=O)c2ccccc2C1=O ZINC000002810753 570304024 /nfs/dbraw/zinc/30/40/24/570304024.db2.gz PLLJKZDRALTEHS-UHFFFAOYSA-N 0 0 385.463 5.252 50 10 GKCARN Cc1c(Cl)cccc1NC1=NC(=O)C(=Cc2ccc(OC(C)C)cc2)S1 ZINC000022135338 570306453 /nfs/dbraw/zinc/30/64/53/570306453.db2.gz AMFLKLPLIXXGBG-WQRHYEAKSA-N 0 0 386.904 5.518 50 10 GKCARN CCc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc1 ZINC000002838753 570306756 /nfs/dbraw/zinc/30/67/56/570306756.db2.gz VMJSGPIXIRITKR-QHCPKHFHSA-N 0 0 383.495 5.716 50 10 GKCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000004839129 570312478 /nfs/dbraw/zinc/31/24/78/570312478.db2.gz RLPZMIPJLGEODP-PCLIKHOPSA-N 0 0 396.490 5.689 50 10 GKCARN Cc1ccc(C)c([C@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)c1 ZINC000002868405 570313270 /nfs/dbraw/zinc/31/32/70/570313270.db2.gz JWBUCSUIVCHQRM-NRFANRHFSA-N 0 0 389.886 5.807 50 10 GKCARN Oc1ccc(Br)cc1C1N(c2ccccc2)CCN1c1ccccc1 ZINC000002895163 570317405 /nfs/dbraw/zinc/31/74/05/570317405.db2.gz JSTSFTHQVJPXBB-UHFFFAOYSA-N 0 0 395.300 5.180 50 10 GKCARN CN(C)c1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2c2ccccc2)cc1 ZINC000016186478 570319238 /nfs/dbraw/zinc/31/92/38/570319238.db2.gz FUVBHXVWCXRCRD-HSZRJFAPSA-N 0 0 386.455 5.017 50 10 GKCARN FC(F)(F)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 ZINC000015938417 570319427 /nfs/dbraw/zinc/31/94/27/570319427.db2.gz CSFPPRMUOAYHKW-RLFDGXBXSA-N 0 0 384.228 6.839 50 10 GKCARN Oc1c([C@@H](Nc2ccccn2)c2c(Cl)cccc2Cl)ccc2cccnc21 ZINC000002977880 570321665 /nfs/dbraw/zinc/32/16/65/570321665.db2.gz WOPDKGYYANFDPZ-HXUWFJFHSA-N 0 0 396.277 5.844 50 10 GKCARN COc1ccc([C@@H](NC(=O)C2CCCCC2)c2c(O)ccc3ccccc32)cc1 ZINC000002997991 570324952 /nfs/dbraw/zinc/32/49/52/570324952.db2.gz AOKXVRMFXRYFGO-XMMPIXPASA-N 0 0 389.495 5.340 50 10 aggregator GKCARN Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(C(C)C)cc3)c(O)c2n1 ZINC000003003782 570325849 /nfs/dbraw/zinc/32/58/49/570325849.db2.gz QDVOKVIYOIYLAM-QHCPKHFHSA-N 0 0 383.495 5.969 50 10 GKCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000111442057 570326823 /nfs/dbraw/zinc/32/68/23/570326823.db2.gz ZLKQTLDMIYDCCR-FUHIMQAGSA-N 0 0 398.300 5.452 50 10 GKCARN CCOC(=O)C1=C(C)N(Cc2c(F)cccc2Cl)c2ccccc2S1 ZINC000003134895 570330097 /nfs/dbraw/zinc/33/00/97/570330097.db2.gz YDRPQGZDQYAQLU-UHFFFAOYSA-N 0 0 377.868 5.386 50 10 GKCARN Cc1ccccc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000016362520 570333481 /nfs/dbraw/zinc/33/34/81/570333481.db2.gz RGDWZDKRCZSLHE-DHDCSXOGSA-N 0 0 379.428 5.420 50 10 GKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2nc(C)cc(C(F)(F)Cl)n2n1 ZINC000006216159 570342607 /nfs/dbraw/zinc/34/26/07/570342607.db2.gz ZPRBUXHKYXXNPF-UHFFFAOYSA-N 0 0 392.862 5.462 50 10 GKCARN O=[N+]([O-])c1cc(Cl)cc2c1N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000006220265 570342962 /nfs/dbraw/zinc/34/29/62/570342962.db2.gz XSBOMXKPOOWHDO-PEBVRCNWSA-N 0 0 395.673 6.382 50 10 GKCARN Oc1ccc(Cl)cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000004853949 570348739 /nfs/dbraw/zinc/34/87/39/570348739.db2.gz YPXIZQUBWWUPJV-SIKLNZKXSA-N 0 0 376.843 5.288 50 10 GKCARN Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000033436691 570349567 /nfs/dbraw/zinc/34/95/67/570349567.db2.gz APEMZBALPHQRND-UYRXBGFRSA-N 0 0 389.480 5.038 50 10 GKCARN Cc1cc(-c2c3c(C)[nH]nc3nc3c2C(=O)CCC3)c(C)n1-c1ccc(C)cc1 ZINC000004864546 570351080 /nfs/dbraw/zinc/35/10/80/570351080.db2.gz CEKNMBOYXXKMFE-UHFFFAOYSA-N 0 0 384.483 5.168 50 10 GKCARN C1=C[C@@H]2c3cc(C45CC6CC(CC(C6)C4)C5)ccc3N[C@@H](c3cccnc3)[C@H]2C1 ZINC000006257689 570351981 /nfs/dbraw/zinc/35/19/81/570351981.db2.gz FXKOZSJVNPPUCN-NHPVPSRFSA-N 0 0 382.551 6.376 50 10 GKCARN COc1ccc(-c2nc(-c3cccnc3)ncc2/N=N\c2ccc(F)cc2)cc1 ZINC000100340771 570353609 /nfs/dbraw/zinc/35/36/09/570353609.db2.gz UAXIXXLBBQGABW-DQSJHHFOSA-N 0 0 385.402 5.769 50 10 GKCARN Cc1ccc(-c2cc3c(n2-c2ccc(C)c(Cl)c2)CC(C)(C)CC3=O)cc1 ZINC000004884900 570354776 /nfs/dbraw/zinc/35/47/76/570354776.db2.gz DUDKLPPNXYGCIX-UHFFFAOYSA-N 0 0 377.915 6.570 50 10 GKCARN CCc1ccc(-n2c(-c3ccc(Cl)cc3)cc3c2CC(C)(C)CC3=O)cc1 ZINC000004885032 570354879 /nfs/dbraw/zinc/35/48/79/570354879.db2.gz GENIJCUSYJMPEL-UHFFFAOYSA-N 0 0 377.915 6.515 50 10 GKCARN CC1(C)[C@H](C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)[C@H]1C=C(Cl)Cl ZINC000004069816 570356316 /nfs/dbraw/zinc/35/63/16/570356316.db2.gz DBKUTFIJVFCDJF-TYSNUYHTSA-N 0 0 388.298 6.632 50 10 GKCARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000006270965 570356589 /nfs/dbraw/zinc/35/65/89/570356589.db2.gz SVYIQEDJHGFDEQ-YCHUCXOZSA-N 0 0 393.874 6.470 50 10 GKCARN CCc1cc2c(=O)c(-c3ccc(F)cc3)c(C)oc2c(C[NH+]2CCCCC2)c1[O-] ZINC000004263634 570364418 /nfs/dbraw/zinc/36/44/18/570364418.db2.gz SSVWDZIUPCOHJN-UHFFFAOYSA-N 0 0 395.474 5.161 50 10 GKCARN Clc1ccc([C@H]2[C@H]3CC=C[C@@H]3c3cc(Cl)cc4c3N2C[C@H]2CC=C[C@H]42)cc1 ZINC000004309496 570367181 /nfs/dbraw/zinc/36/71/81/570367181.db2.gz NEVXFPDVXYJQFC-WPUDHWPRSA-N 0 0 394.345 6.888 50 10 GKCARN COc1cc(C2Nc3cccc4cccc(c43)N2)ccc1OCc1ccccc1 ZINC000004311634 570367202 /nfs/dbraw/zinc/36/72/02/570367202.db2.gz FWXSKCHIYHXKDI-UHFFFAOYSA-N 0 0 382.463 5.964 50 10 GKCARN O=[N+]([O-])c1ccc([C@@H]2[C@H]3CC=C[C@@H]3c3cc(F)cc4c3N2C[C@H]2CC=C[C@H]42)cc1 ZINC000004321285 570367435 /nfs/dbraw/zinc/36/74/35/570367435.db2.gz NCRCCPRHMJZJEF-DJIOSBNXSA-N 0 0 388.442 5.628 50 10 GKCARN CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@H]21 ZINC000004321340 570367584 /nfs/dbraw/zinc/36/75/84/570367584.db2.gz QZEVZHPZXRMEDG-BVMUCEKZSA-N 0 0 385.482 5.923 50 10 GKCARN Clc1ccc2c(c1Cl)N[C@@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 ZINC000004362932 570371117 /nfs/dbraw/zinc/37/11/17/570371117.db2.gz YUYFPKLXVWDGBI-VGTOOOLASA-N 0 0 395.127 6.582 50 10 GKCARN O=[N+]([O-])c1ccc([C@@H]2Nc3c(C(F)(F)F)ccc(Cl)c3[C@H]3C=CC[C@H]32)cc1 ZINC000004427868 570374910 /nfs/dbraw/zinc/37/49/10/570374910.db2.gz KPJBPVNCPOHPDZ-AHIWAGSCSA-N 0 0 394.780 6.094 50 10 GKCARN CN1C(=O)/C(=C\c2ccccc2Sc2ccc(Cl)cc2)SC1=S ZINC000004481832 570377706 /nfs/dbraw/zinc/37/77/06/570377706.db2.gz SHAZQSCAPAGOOM-XNTDXEJSSA-N 0 0 377.943 5.322 50 10 GKCARN COc1ccccc1NN=C1C=C(C(=O)Nc2ccccc2)C(=O)c2ccccc21 ZINC000004545589 570383304 /nfs/dbraw/zinc/38/33/04/570383304.db2.gz XBGGLFONRAKGCV-CYYJNZCTSA-N 0 0 397.434 6.222 50 10 GKCARN CCCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000004575009 570385417 /nfs/dbraw/zinc/38/54/17/570385417.db2.gz URLGHWPDUVWLJC-DXIQSLLYSA-N 0 0 392.455 5.378 50 10 GKCARN CCCC[C@H](CC)CN1C(=O)C(=Cc2c[nH]nc2-c2ccccc2)SC1=S ZINC000004975140 570387326 /nfs/dbraw/zinc/38/73/26/570387326.db2.gz YJSQRVMSMGLJJR-BRYHAGSVSA-N 0 0 399.585 5.494 50 10 GKCARN Cc1cc(C(=O)CNCc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000006329398 570392170 /nfs/dbraw/zinc/39/21/70/570392170.db2.gz MNRZJCTULAOGNT-UHFFFAOYSA-N 0 0 387.310 5.373 50 10 GKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000004738988 570400255 /nfs/dbraw/zinc/40/02/55/570400255.db2.gz NSSJFUUKFSDTBQ-CJLVFECKSA-N 0 0 381.475 5.783 50 10 GKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)c(C)c1 ZINC000004738991 570400409 /nfs/dbraw/zinc/40/04/09/570400409.db2.gz TVMSVCARVYRCEB-RCCKNPSSSA-N 0 0 396.446 5.683 50 10 GKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)c(C)c1 ZINC000004743498 570401389 /nfs/dbraw/zinc/40/13/89/570401389.db2.gz AFVLCXZWQIDBBM-RCCKNPSSSA-N 0 0 385.894 6.428 50 10 GKCARN Oc1ccc(Cl)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000004854245 570412428 /nfs/dbraw/zinc/41/24/28/570412428.db2.gz YHLQJXGGGBAWOX-JXFKEZNVSA-N 0 0 382.872 5.349 50 10 GKCARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000004854142 570412437 /nfs/dbraw/zinc/41/24/37/570412437.db2.gz YKVWVXBPVGBHDJ-ZCYQVOJMSA-N 0 0 399.494 5.004 50 10 GKCARN CN(C)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000025572914 570415940 /nfs/dbraw/zinc/41/59/40/570415940.db2.gz IWEYTFCIUJKEMZ-ISKFKSNPSA-N 0 0 387.458 5.134 50 10 GKCARN CN(C)c1ccc([C@@H]2N=C(c3ccc(Cl)cc3)[C@H]3[C@@H](c4ccccc4)N32)cc1 ZINC000025586381 570416634 /nfs/dbraw/zinc/41/66/34/570416634.db2.gz MVTNPDZGDVJMMJ-UHYSMRQQSA-N 0 0 387.914 5.333 50 10 GKCARN O=C1/C(=C\c2cccc(C(F)(F)F)c2)SC(=S)N1Cc1ccccc1 ZINC000005023356 570424563 /nfs/dbraw/zinc/42/45/63/570424563.db2.gz RVWJZDPELNKGDF-XNTDXEJSSA-N 0 0 379.428 5.107 50 10 GKCARN CCN(Cc1ccccc1)c1ccc(/N=N/c2nn(C)c(C)c2[N+](=O)[O-])cc1 ZINC000100669337 570425272 /nfs/dbraw/zinc/42/52/72/570425272.db2.gz WDERFMIIJYFHQP-QURGRASLSA-N 0 0 378.436 5.079 50 10 GKCARN CCCCCCn1c2ccccc2nc1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000001798410 570425355 /nfs/dbraw/zinc/42/53/55/570425355.db2.gz ZXNVFMKNIXRBTK-UHFFFAOYSA-N 0 0 392.330 6.241 50 10 GKCARN Oc1c([C@@H](Nc2ccccn2)c2cccc(F)c2)cc(Cl)c2cccnc12 ZINC000005049427 570426083 /nfs/dbraw/zinc/42/60/83/570426083.db2.gz NXUVJIYFYUHBAC-IBGZPJMESA-N 0 0 379.822 5.329 50 10 GKCARN Cc1cccc(N[C@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2O)n1 ZINC000005102331 570429469 /nfs/dbraw/zinc/42/94/69/570429469.db2.gz ALVSIURCXDRPIW-HXUWFJFHSA-N 0 0 375.859 5.499 50 10 GKCARN CCCCCCc1cc2c(cc1OCC(=O)OC)oc(=O)cc2-c1ccccc1 ZINC000005214195 570431619 /nfs/dbraw/zinc/43/16/19/570431619.db2.gz YABRFKHQUUKWBO-UHFFFAOYSA-N 0 0 394.467 5.135 50 10 GKCARN O=C(c1ccccc1)N1N=C(c2cc(Cl)ccc2O)C[C@H]1c1ccccc1 ZINC000005155667 570432718 /nfs/dbraw/zinc/43/27/18/570432718.db2.gz XBFYVSQUFFTIOC-FQEVSTJZSA-N 0 0 376.843 5.037 50 10 GKCARN CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S ZINC000005708654 570452290 /nfs/dbraw/zinc/45/22/90/570452290.db2.gz ISKQNZSMDQFEJF-NTEUORMPSA-N 0 0 383.416 5.187 50 10 GKCARN COc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000005738805 570454122 /nfs/dbraw/zinc/45/41/22/570454122.db2.gz VPXXBEOUQOEFIN-RNHFSVANSA-N 0 0 398.462 6.097 50 10 GKCARN O=C(c1ccccc1)N1N=C(c2ccc3ccccc3c2O)C[C@@H]1c1ccccc1 ZINC000005164839 570473144 /nfs/dbraw/zinc/47/31/44/570473144.db2.gz OLGFMJSXJNPSHX-XMMPIXPASA-N 0 0 392.458 5.537 50 10 GKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000016694443 570495224 /nfs/dbraw/zinc/49/52/24/570495224.db2.gz GPTGQLPEELDHEI-UYRXBGFRSA-N 0 0 394.883 5.890 50 10 GKCARN Oc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000006863810 570497172 /nfs/dbraw/zinc/49/71/72/570497172.db2.gz QFGWWMOKECHORR-SIKLNZKXSA-N 0 0 376.843 5.288 50 10 GKCARN COc1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000004757836 570497803 /nfs/dbraw/zinc/49/78/03/570497803.db2.gz CBOIWRUQWHIBNW-JCGVRSQUSA-N 0 0 390.361 5.449 50 10 GKCARN Cc1ccccc1C(=O)Nc1ccc2c3c1[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21 ZINC000006995538 570499648 /nfs/dbraw/zinc/49/96/48/570499648.db2.gz VOJDALBZNZGDGH-QCFAMHMHSA-N 0 0 382.507 5.400 50 10 GKCARN CN1C(=O)C(=CC2=CC(=NNc3cccc(Cl)c3)C=CC2=O)SC1=S ZINC000005201098 570504857 /nfs/dbraw/zinc/50/48/57/570504857.db2.gz XMNNPRPPIJZUMF-BEQXBXOCSA-N 0 0 389.889 5.292 50 10 GKCARN Cc1cccc(COc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2Cl)c1 ZINC000032670981 570513190 /nfs/dbraw/zinc/51/31/90/570513190.db2.gz ZJGZYXUOYWVNES-YVLHZVERSA-N 0 0 389.929 5.058 50 10 GKCARN COc1ccc(Cl)c2c1N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000006642403 570513770 /nfs/dbraw/zinc/51/37/70/570513770.db2.gz CHHFMFBQDGJVOZ-SOZUMNATSA-N 0 0 380.702 6.482 50 10 GKCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cccc(Nc2ccccc2)c1 ZINC000006646102 570515024 /nfs/dbraw/zinc/51/50/24/570515024.db2.gz NYQSTHBBQLARAJ-JLPGSUDCSA-N 0 0 396.494 5.766 50 10 GKCARN O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1CCc1ccccc1 ZINC000033350426 570525508 /nfs/dbraw/zinc/52/55/08/570525508.db2.gz CKVRMYVSMNIDHI-MHWRWJLKSA-N 0 0 394.348 5.437 50 10 GKCARN COc1ccc([C@H](NC(=O)c2ccccc2)c2c(O)ccc3ccccc32)cc1 ZINC000000855829 570533801 /nfs/dbraw/zinc/53/38/01/570533801.db2.gz LYQSBPSHBBYBID-DEOSSOPVSA-N 0 0 383.447 5.073 50 10 GKCARN COc1cccc(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc32)c1 ZINC000001170126 570534949 /nfs/dbraw/zinc/53/49/49/570534949.db2.gz LEJAAHYFLBUKNT-DEOSSOPVSA-N 0 0 383.447 5.073 50 10 GKCARN Cc1ccnc(N[C@H](c2ccc3cccnc3c2O)c2c(C)cc(C)cc2C)c1 ZINC000002882453 570539074 /nfs/dbraw/zinc/53/90/74/570539074.db2.gz AIYGOCRMUXRJCZ-XMMPIXPASA-N 0 0 383.495 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CN(Cc1ccccc1O)C(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000047378381 570954342 /nfs/dbraw/zinc/95/43/42/570954342.db2.gz POLIYMCVVVMSKZ-UHFFFAOYSA-N 0 0 389.480 5.333 50 10 GKCARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(OC)c(Cl)c1)CO3 ZINC000002122141 570955958 /nfs/dbraw/zinc/95/59/58/570955958.db2.gz LYYAAZVVKMJUHS-UHFFFAOYSA-N 0 0 399.874 5.072 50 10 biogenic GKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000001308354 570956787 /nfs/dbraw/zinc/95/67/87/570956787.db2.gz KYWKRHWLNWJVCW-CPNJWEJPSA-N 0 0 376.843 5.715 50 10 GKCARN CC(=O)c1cccc(-c2ccc(C=C3C(=O)N(c4ccc(F)cc4)N=C3C)o2)c1 ZINC000033291455 570959012 /nfs/dbraw/zinc/95/90/12/570959012.db2.gz BZSMIGSIWUKDDE-FYJGNVAPSA-N 0 0 388.398 5.094 50 10 GKCARN C1=C[C@@H]2c3cc(C45CC6CC(CC(C6)C4)C5)ccc3N[C@H](c3ccncc3)[C@@H]2C1 ZINC000252463580 570961182 /nfs/dbraw/zinc/96/11/82/570961182.db2.gz FLVHIKUVQRUKBT-HLPFPJSFSA-N 0 0 382.551 6.376 50 10 GKCARN C[C@]1(c2cc(Cl)ccc2O)Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000106937331 570969399 /nfs/dbraw/zinc/96/93/99/570969399.db2.gz XPERUDAQGPMSMO-NFBKMPQASA-N 0 0 390.870 5.462 50 10 GKCARN Cc1ccc(Nc2c(-c3ccc(Br)o3)nc3cc(C)cc(C)n32)cc1 ZINC000004794028 570993477 /nfs/dbraw/zinc/99/34/77/570993477.db2.gz AOOFXPGIFSFINC-UHFFFAOYSA-N 0 0 396.288 6.026 50 10 GKCARN Cc1cc(C(F)(F)F)n2nc(N)c(N=Nc3ccc(Cl)cc3Cl)c2n1 ZINC000252610035 571009434 /nfs/dbraw/zinc/00/94/34/571009434.db2.gz HYFKMXCXHJVTRM-UHFFFAOYSA-N 0 0 389.168 5.361 50 10 GKCARN Nc1nc(-c2ccccc2)c(N=Nc2c(Cl)cc(Cl)cc2Cl)s1 ZINC000252622502 571034453 /nfs/dbraw/zinc/03/44/53/571034453.db2.gz NWTUQWFAOKKCFS-UHFFFAOYSA-N 0 0 383.691 6.768 50 10 GKCARN COC(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1N=Nc1ccccc1 ZINC000252623862 571036163 /nfs/dbraw/zinc/03/61/63/571036163.db2.gz PBATWRQONYUKEJ-UHFFFAOYSA-N 0 0 382.423 5.741 50 10 GKCARN CCOC(=O)c1ccc(/C=C2/C=C(c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000017264953 210208283 /nfs/dbraw/zinc/20/82/83/210208283.db2.gz WMEFVDKDYKKTEN-XLNRJJMWSA-N 0 0 395.458 5.335 50 10 GKCARN Cc1ccc(-c2cc3c(n2-c2ccc(C(=O)NC(C)C)cc2)CCCCC3)cc1 ZINC000015868767 210178336 /nfs/dbraw/zinc/17/83/36/210178336.db2.gz QOFXDMVCCZDJKE-UHFFFAOYSA-N 0 0 386.539 5.860 50 10 GKCARN COc1ccccc1CNc1nc(-c2cc(C)n(-c3ccccn3)c2C)cs1 ZINC000015453800 210158199 /nfs/dbraw/zinc/15/81/99/210158199.db2.gz YKNQTGLWARFEPH-UHFFFAOYSA-N 0 0 390.512 5.233 50 10 GKCARN Fc1cc(Br)cc2c1N[C@H](c1cccc3ccccc31)[C@H]1CC=C[C@H]21 ZINC000015228958 210154913 /nfs/dbraw/zinc/15/49/13/210154913.db2.gz NTJIJLFXLQFJDV-DJPFJPOOSA-N 0 0 394.287 6.568 50 10 GKCARN Cc1ccnc(N[C@H](c2ccc(C(C)(C)C)cc2)c2ccc3cccnc3c2O)c1 ZINC000015015552 210142952 /nfs/dbraw/zinc/14/29/52/210142952.db2.gz ZTZYFPVPRKUORH-HSZRJFAPSA-N 0 0 397.522 6.143 50 10 GKCARN Cc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000013807520 210091498 /nfs/dbraw/zinc/09/14/98/210091498.db2.gz LQJLNSWOKPJBGN-VAPLQANRSA-N 0 0 398.491 5.024 50 10 GKCARN Cc1ccsc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000013785324 210089432 /nfs/dbraw/zinc/08/94/32/210089432.db2.gz FKZAFVMAFGFIKP-QPEQYQDCSA-N 0 0 386.350 5.769 50 10 GKCARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000013616515 210072036 /nfs/dbraw/zinc/07/20/36/210072036.db2.gz YKVWVXBPVGBHDJ-ILBGXUMGSA-N 0 0 399.494 5.004 50 10 GKCARN Nc1c(Cl)cc2c(c1Oc1ccc(Cl)cc1)C(=O)c1ccccc1C2=O ZINC000004833303 209531129 /nfs/dbraw/zinc/53/11/29/209531129.db2.gz OVVMVWQEIUGFAO-UHFFFAOYSA-N 0 0 384.218 5.143 50 10 GKCARN CCC(=O)N1c2ccc(Cl)cc2[C@@H]2C=CC[C@H]2[C@@H]1c1cccc2ccccc21 ZINC000004833124 209530290 /nfs/dbraw/zinc/53/02/90/209530290.db2.gz WXGSZCLVYGKRSJ-ZJCBTPCYSA-N 0 0 387.910 6.651 50 10 GKCARN Cc1cc(I)cc2c1N[C@@H](c1ccccc1)[C@H]1CC=C[C@H]21 ZINC000004409653 209484832 /nfs/dbraw/zinc/48/48/32/209484832.db2.gz GGVOXXIGLPRQAB-BXWFABGCSA-N 0 0 387.264 5.426 50 10 GKCARN O=[N+]([O-])c1ccc([C@H]2[C@H]3CC=C[C@@H]3c3cc(F)cc4c3N2C[C@H]2CC=C[C@H]42)cc1 ZINC000004321286 209478980 /nfs/dbraw/zinc/47/89/80/209478980.db2.gz NCRCCPRHMJZJEF-WPUDHWPRSA-N 0 0 388.442 5.628 50 10 GKCARN CCc1ccc(N2C(=O)/C(=C/c3ccc(N(CC)CC)cc3)SC2=S)cc1 ZINC000002783476 209385117 /nfs/dbraw/zinc/38/51/17/209385117.db2.gz OXYRELOWOMJAKJ-HKWRFOASSA-N 0 0 396.581 5.501 50 10 GKCARN COc1ccccc1[C@@H](NC(=O)Cc1ccccc1)c1c(O)ccc2ccccc21 ZINC000002921378 209397852 /nfs/dbraw/zinc/39/78/52/209397852.db2.gz WWYYCBPSSDZQAI-AREMUKBSSA-N 0 0 397.474 5.002 50 10 GKCARN CN(C)c1ccc(/C=C/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000002918511 209397189 /nfs/dbraw/zinc/39/71/89/209397189.db2.gz ZGXMJXAEZNZXIR-FKKWJZCKSA-N 0 0 384.888 5.203 50 10 GKCARN CCCCCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000002666819 209377134 /nfs/dbraw/zinc/37/71/34/209377134.db2.gz RTZLMPZZENEYIO-KAMYIIQDSA-N 0 0 384.364 5.231 50 10 GKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000002253540 209352305 /nfs/dbraw/zinc/35/23/05/209352305.db2.gz SQNOBOMKOZLJSM-RCEBRVLHSA-N 0 0 394.348 5.956 50 10 GKCARN CCOc1ccc2c(c1)-c1c(=S)n(-c3ccc(C)cc3)sc1C(C)(C)N2C ZINC000002055934 209344428 /nfs/dbraw/zinc/34/44/28/209344428.db2.gz OGZYINFETJMXML-UHFFFAOYSA-N 0 0 396.581 6.327 50 10 GKCARN O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc21)c1ccc(Cl)cc1 ZINC000001782191 209338008 /nfs/dbraw/zinc/33/80/08/209338008.db2.gz QNBCEZYIHVVQIB-HSZRJFAPSA-N 0 0 387.866 5.718 50 10 GKCARN CCOc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000010215900 209321227 /nfs/dbraw/zinc/32/12/27/209321227.db2.gz DVGJRPMQFOVWIW-VGSWGCGISA-N 0 0 392.480 5.095 50 10 GKCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000001013873 209288593 /nfs/dbraw/zinc/28/85/93/209288593.db2.gz OGNWNODEOFEKSY-LAPQFRIASA-N 0 0 388.294 5.997 50 10 GKCARN O=C(N[C@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O)C1CCCCC1 ZINC000000869250 209274933 /nfs/dbraw/zinc/27/49/33/209274933.db2.gz FEMAOGCTYDYUOH-HXUWFJFHSA-N 0 0 394.902 5.380 50 10 GKCARN O=C(N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O)C1CCCCC1 ZINC000000869251 209274439 /nfs/dbraw/zinc/27/44/39/209274439.db2.gz FEMAOGCTYDYUOH-FQEVSTJZSA-N 0 0 394.902 5.380 50 10 GKCARN CCOC(=O)C1=CS/C(=C2\c3cc(C)ccc3NC(C)(C)C2=S)S1 ZINC000000849808 209271302 /nfs/dbraw/zinc/27/13/02/209271302.db2.gz JBWZSYAGUVYCOD-VKAVYKQESA-N 0 0 377.556 5.122 50 10 GKCARN COc1ccccc1NC(=O)c1c(NCc2cccs2)sc2c1CCCC2 ZINC000000798217 209266431 /nfs/dbraw/zinc/26/64/31/209266431.db2.gz RTLSSTHBWJKPJH-UHFFFAOYSA-N 0 0 398.553 5.561 50 10 GKCARN CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000000705650 209260526 /nfs/dbraw/zinc/26/05/26/209260526.db2.gz JWPHDCWYNNMETC-NRFANRHFSA-N 0 0 377.875 5.177 50 10 GKCARN CCOc1cc(CNc2ccc(O)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000000679195 209259117 /nfs/dbraw/zinc/25/91/17/209259117.db2.gz ORSPPHTUGCQCFR-UHFFFAOYSA-N 0 0 383.875 5.635 50 10 GKCARN CCN(CC)c1ccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)cc1 ZINC000001814877 212257596 /nfs/dbraw/zinc/25/75/96/212257596.db2.gz VXRWLVKAOXYFJI-AQTBWJFISA-N 0 0 386.517 5.078 50 10 GKCARN CCCCCn1c2ccccc2nc1NCc1cc(Br)ccc1O ZINC000001813728 212257628 /nfs/dbraw/zinc/25/76/28/212257628.db2.gz RWTUILROGKDFQL-UHFFFAOYSA-N 0 0 388.309 5.307 50 10 GKCARN COC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccc(OC)cc3)c2c1N ZINC000001513577 212248897 /nfs/dbraw/zinc/24/88/97/212248897.db2.gz TUQQPMVQPRXTTC-UHFFFAOYSA-N 0 0 390.464 5.008 50 10 GKCARN O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)ccc1Cl ZINC000059267053 209213333 /nfs/dbraw/zinc/21/33/33/209213333.db2.gz FLOCAIFEUXAXLG-PEBVRCNWSA-N 0 0 395.673 6.382 50 10 GKCARN CC(C)c1ccc([C@H](Nc2nccs2)c2ccc3cccnc3c2O)cc1 ZINC000001463275 212246217 /nfs/dbraw/zinc/24/62/17/212246217.db2.gz LNZRFASRIXMRSJ-IBGZPJMESA-N 0 0 375.497 5.722 50 10 GKCARN COc1ccc2ccccc2c1/C=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000001195871 212228135 /nfs/dbraw/zinc/22/81/35/212228135.db2.gz HRGDBPVPHSBJMG-DEDYPNTBSA-N 0 0 391.517 5.250 50 10 GKCARN COc1ccccc1N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S ZINC000001136407 212222310 /nfs/dbraw/zinc/22/23/10/212222310.db2.gz ZDYWSJOORJQUMO-UYRXBGFRSA-N 0 0 377.490 5.254 50 10 GKCARN Cc1ccccc1C(=O)Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21 ZINC000169616541 209184477 /nfs/dbraw/zinc/18/44/77/209184477.db2.gz VOJDALBZNZGDGH-UYWIDEMCSA-N 0 0 382.507 5.400 50 10 GKCARN CCOc1ccc(NC(=O)c2c(NCc3cccs3)sc3c2CCC3)cc1 ZINC000000920847 212195653 /nfs/dbraw/zinc/19/56/53/212195653.db2.gz VDIASKHMULVSIX-UHFFFAOYSA-N 0 0 398.553 5.561 50 10 GKCARN C[C@H]1CCC[N@H+](Cc2c([O-])ccc3c(=O)c(-c4ccc(Cl)cc4)coc32)C1 ZINC000019793080 212149792 /nfs/dbraw/zinc/14/97/92/212149792.db2.gz CTFKKFIZHGGSNR-AWEZNQCLSA-N 0 0 383.875 5.051 50 10 biogenic GKCARN CC1CCN(c2ccc(C3Nc4cccc5cccc(c54)N3)cc2[N+](=O)[O-])CC1 ZINC000096191662 212075153 /nfs/dbraw/zinc/07/51/53/212075153.db2.gz WVJXUDWABMHWCJ-UHFFFAOYSA-N 0 0 388.471 5.521 50 10 GKCARN COc1ccc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc32)cc1 ZINC000001229198 212060425 /nfs/dbraw/zinc/06/04/25/212060425.db2.gz KCKKNZJPHWKMIQ-XMMPIXPASA-N 0 0 383.447 5.073 50 10 GKCARN CC(C)c1ccc(CN2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000000975755 203868845 /nfs/dbraw/zinc/86/88/45/203868845.db2.gz PHZKMFYEJCMNDZ-MOSHPQCFSA-N 0 0 380.513 5.113 50 10 GKCARN CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000001026798 203874059 /nfs/dbraw/zinc/87/40/59/203874059.db2.gz SVHUQEACYVPKCC-UHFFFAOYSA-N 0 0 395.494 5.379 50 10 GKCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2 ZINC000001096139 203883773 /nfs/dbraw/zinc/88/37/73/203883773.db2.gz ONRURSMNXRQIMR-QEEYODRMSA-N 0 0 387.401 5.709 50 10 GKCARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])oc(C)c2C(=O)c1ccc(Cl)cc1 ZINC000001314896 203901286 /nfs/dbraw/zinc/90/12/86/203901286.db2.gz ALXSPGMINQCULW-UHFFFAOYSA-N 0 0 399.918 5.953 50 10 GKCARN COc1ccc2c3ccc(OC/C=C(\C)CCC=C(C)C)cc3oc(=O)c2c1 ZINC000002133802 203929177 /nfs/dbraw/zinc/92/91/77/203929177.db2.gz AKXBVMXTTMBXLH-SFQUDFHCSA-N 0 0 378.468 6.026 50 10 biogenic GKCARN COC(=O)CCN1CCc2cc(/N=N/c3ccc(C(F)(F)F)cc3)ccc21 ZINC000004344420 204040790 /nfs/dbraw/zinc/04/07/90/204040790.db2.gz HHHMGTSAFGZXHW-WCWDXBQESA-N 0 0 377.366 5.046 50 10 GKCARN CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000004347699 204041179 /nfs/dbraw/zinc/04/11/79/204041179.db2.gz LEQZLEFUEOCYJL-UHFFFAOYSA-N 0 0 399.365 6.306 50 10 GKCARN Cc1ccnc(N[C@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2O)c1 ZINC000004138532 204029579 /nfs/dbraw/zinc/02/95/79/204029579.db2.gz HHGMSICOFPELRA-HXUWFJFHSA-N 0 0 375.859 5.499 50 10 GKCARN CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccccc2F)C1=O ZINC000004700341 204065772 /nfs/dbraw/zinc/06/57/72/204065772.db2.gz PMIMSOYUWOKGIY-YBEGLDIGSA-N 0 0 393.892 5.284 50 10 GKCARN COc1ccc(Cl)c2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21 ZINC000004721953 204067754 /nfs/dbraw/zinc/06/77/54/204067754.db2.gz OZJSNVHPBLWZER-HBUWYVDXSA-N 0 0 390.708 5.938 50 10 GKCARN CCCCCC[C@@]1(C)N=C(c2ccc3c(c2)OCO3)C[C@@H](c2ccccc2O)N1 ZINC000004729866 204069445 /nfs/dbraw/zinc/06/94/45/204069445.db2.gz POIOLPVZKOAMKS-RDPSFJRHSA-N 0 0 394.515 5.331 50 10 GKCARN CCCCCC[C@]1(C)N=C(c2ccc3c(c2)OCO3)C[C@H](c2ccccc2O)N1 ZINC000004729870 204069788 /nfs/dbraw/zinc/06/97/88/204069788.db2.gz POIOLPVZKOAMKS-HYBUGGRVSA-N 0 0 394.515 5.331 50 10 GKCARN Fc1ccc(Nc2c(-c3ccccn3)nc3ccc(Br)cn32)cc1 ZINC000004733867 204070305 /nfs/dbraw/zinc/07/03/05/204070305.db2.gz DVKGEMDPWAAKBI-UHFFFAOYSA-N 0 0 383.224 5.042 50 10 GKCARN Cc1ccc(Nc2c(-c3ccc(Br)o3)nc3ccc(C)cn32)cc1 ZINC000004735071 204070797 /nfs/dbraw/zinc/07/07/97/204070797.db2.gz ZNJMDVDLHGLPGZ-UHFFFAOYSA-N 0 0 382.261 5.717 50 10 GKCARN CCOc1cccc(/C=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)c1OC ZINC000004755104 204073341 /nfs/dbraw/zinc/07/33/41/204073341.db2.gz FLAHPWQKWDGTJI-QNGOZBTKSA-N 0 0 386.451 5.053 50 10 GKCARN CCN(CC)c1cc(C)c2cc(NC(=O)/C=C/c3ccc(OC)cc3)ccc2n1 ZINC000004757354 204073981 /nfs/dbraw/zinc/07/39/81/204073981.db2.gz XTUMXUFSSCLCCM-NTEUORMPSA-N 0 0 389.499 5.050 50 10 GKCARN CC(=O)c1c(C)n(-c2ccccc2)c2c1C(=NNc1ccc(C)cc1)C(=O)C=C2 ZINC000004794821 204076328 /nfs/dbraw/zinc/07/63/28/204076328.db2.gz HEMIQVWLDHMDFA-OCEACIFDSA-N 0 0 383.451 6.571 50 10 GKCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000004409817 204044209 /nfs/dbraw/zinc/04/42/09/204044209.db2.gz OGNWNODEOFEKSY-ARGWCVDVSA-N 0 0 388.294 5.997 50 10 GKCARN Cc1ccc(NCN2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1Cl ZINC000004471603 204045876 /nfs/dbraw/zinc/04/58/76/204045876.db2.gz SEIRFSILMFLQJY-LZYBPNLTSA-N 0 0 392.908 5.058 50 10 GKCARN O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1c1cccc(F)c1 ZINC000004591080 204055621 /nfs/dbraw/zinc/05/56/21/204055621.db2.gz OFVWUYHCEGDFLE-MKMNVTDBSA-N 0 0 384.284 5.538 50 10 GKCARN CC(C)CNc1cc(Nc2ccccc2)c2c3c1noc3-c1ccccc1C2=O ZINC000004623900 204058408 /nfs/dbraw/zinc/05/84/08/204058408.db2.gz DOBVJOWKQKDBGQ-UHFFFAOYSA-N 0 0 383.451 5.851 50 10 GKCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(Cl)ccc1Cl ZINC000005093605 204110749 /nfs/dbraw/zinc/11/07/49/204110749.db2.gz RJIVSWAGIYDZRO-UHFFFAOYSA-N 0 0 396.229 5.021 50 10 GKCARN Cc1cccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)SC2=S)c1 ZINC000005201029 204118371 /nfs/dbraw/zinc/11/83/71/204118371.db2.gz 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/nfs/dbraw/zinc/16/66/91/207166691.db2.gz JWHSXJKIQFQAOV-UHFFFAOYSA-N 0 0 394.927 5.655 50 10 GKCARN CCC[NH+](CCC)Cc1c([O-])ccc2c(=O)c(-c3ccccc3Cl)coc21 ZINC000019793065 207162900 /nfs/dbraw/zinc/16/29/00/207162900.db2.gz CVKLNYCJWZKANO-UHFFFAOYSA-N 0 0 385.891 5.441 50 10 GKCARN Cc1[nH]c2ccc(C)cc2c1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O ZINC000020255193 207186922 /nfs/dbraw/zinc/18/69/22/207186922.db2.gz KTAJCTDSXAFESQ-ZDLGFXPLSA-N 0 0 382.485 5.330 50 10 GKCARN Cc1ccc(C2=N[C@H](c3c(F)cccc3Cl)N[C@H](c3ccccc3O)C2)cc1 ZINC000020765181 207213728 /nfs/dbraw/zinc/21/37/28/207213728.db2.gz BFGIXDHPYXCMMC-REWPJTCUSA-N 0 0 394.877 5.716 50 10 GKCARN Cc1ccc(-c2cc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)no2)cc1C ZINC000027582445 207327462 /nfs/dbraw/zinc/32/74/62/207327462.db2.gz ZAGJQZCSIMLZRC-CYYJNZCTSA-N 0 0 396.450 6.626 50 10 GKCARN CN(C)c1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2c2ccccc2)cc1 ZINC000016186476 208149306 /nfs/dbraw/zinc/14/93/06/208149306.db2.gz FUVBHXVWCXRCRD-QHCPKHFHSA-N 0 0 386.455 5.017 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/nfs/dbraw/zinc/31/88/18/210318818.db2.gz DSFXRDJKIXVISZ-ZDLGFXPLSA-N 0 0 398.940 5.844 50 10 GKCARN O=C1N=C(Nc2ccc3ccccc3c2)SC1=Cc1ccc(Cl)cc1Cl ZINC000008436711 208696250 /nfs/dbraw/zinc/69/62/50/208696250.db2.gz USCNSQPBJCGHNM-ZDLGFXPLSA-N 0 0 399.302 6.229 50 10 GKCARN CCCN(CCC)c1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1 ZINC000003032774 220599026 /nfs/dbraw/zinc/59/90/26/220599026.db2.gz RBFZSAPAYBQFFL-HKWRFOASSA-N 0 0 382.891 5.311 50 10 GKCARN CCc1ccc(-n2c(C)c(C(=O)OC)cc2-c2ccc(Br)cc2)cc1 ZINC000004237723 220694719 /nfs/dbraw/zinc/69/47/19/220694719.db2.gz ARNTWQCWTODNHO-UHFFFAOYSA-N 0 0 398.300 5.564 50 10 GKCARN Clc1ccc([C@H]2[C@@H]3CC=C[C@@H]3c3cc(Cl)cc4c3N2C[C@H]2CC=C[C@H]42)cc1 ZINC000004309494 220703158 /nfs/dbraw/zinc/70/31/58/220703158.db2.gz NEVXFPDVXYJQFC-UKFDBNNRSA-N 0 0 394.345 6.888 50 10 GKCARN O=C1C=CC(Cl)=CC1=NNc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000004657151 220741912 /nfs/dbraw/zinc/74/19/12/220741912.db2.gz HKWWDHFTTRLFLU-QZQOTICOSA-N 0 0 393.896 5.026 50 10 GKCARN CCN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S ZINC000005023044 220812715 /nfs/dbraw/zinc/81/27/15/220812715.db2.gz ACJWXRSVFCQGQQ-GZTJUZNOSA-N 0 0 389.929 5.140 50 10 GKCARN CC(=C\c1ccccc1)/C=C1\SC(=S)N(c2ccc3ccccc3c2)C1=O ZINC000005033659 220816350 /nfs/dbraw/zinc/81/63/50/220816350.db2.gz BYALEJWJFJWPLW-CQPDGHCISA-N 0 0 387.529 6.192 50 10 GKCARN O=C1C(=CC=Cc2ccccc2)SC(=S)N1N=c1[nH]c2ccccc2s1 ZINC000096935807 209016901 /nfs/dbraw/zinc/01/69/01/209016901.db2.gz NRZREECHBFUFHV-AMHMVXRNSA-N 0 0 395.534 5.081 50 10 GKCARN Cc1cc(O)c(C(C)C)cc1NC1=NC(=O)C(=CC=Cc2ccccc2)S1 ZINC000097998590 209018726 /nfs/dbraw/zinc/01/87/26/209018726.db2.gz CDINDLWKVNPISC-LIZKKHSFSA-N 0 0 378.497 5.463 50 10 GKCARN Cc1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)o2)cc1 ZINC000097405254 209015086 /nfs/dbraw/zinc/01/50/86/209015086.db2.gz SAXRFDFXQVQGHZ-MOSHPQCFSA-N 0 0 391.517 5.656 50 10 GKCARN COc1ccc(NC(=O)NCc2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000009228797 221074832 /nfs/dbraw/zinc/07/48/32/221074832.db2.gz MOUBMAYBZMAUKW-UHFFFAOYSA-N 0 0 383.879 5.078 50 10 GKCARN COc1ccc(-n2c(C)cc(CNC(=O)Nc3ccc(C)cc3C)c2C)cc1 ZINC000009228656 221074899 /nfs/dbraw/zinc/07/48/99/221074899.db2.gz JFTWGGRYMHPDNV-UHFFFAOYSA-N 0 0 377.488 5.041 50 10 GKCARN COc1ccc(-n2c(C)cc(CNC(=O)Nc3ccccc3Cl)c2C)cc1 ZINC000009228626 221075166 /nfs/dbraw/zinc/07/51/66/221075166.db2.gz LFJGVBRFVSJWOS-UHFFFAOYSA-N 0 0 383.879 5.078 50 10 GKCARN COc1cc2c(cc1NCC(=O)Nc1ccc(F)cc1Cl)oc1ccccc12 ZINC000011619211 221118585 /nfs/dbraw/zinc/11/85/85/221118585.db2.gz WYYHRZSGJPKEQD-UHFFFAOYSA-N 0 0 398.821 5.438 50 10 GKCARN Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1-c1ccc(F)cc1 ZINC000012311248 221179572 /nfs/dbraw/zinc/17/95/72/221179572.db2.gz HZANXBAYXVLWMS-UHFFFAOYSA-N 0 0 379.460 5.085 50 10 GKCARN CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000012382321 221187592 /nfs/dbraw/zinc/18/75/92/221187592.db2.gz UWUHWCGACIAOIT-WOIUINJBSA-N 0 0 392.455 5.234 50 10 GKCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1cccc3ccccc31)[C@@H]1CC=C[C@@H]21 ZINC000013615425 221277127 /nfs/dbraw/zinc/27/71/27/221277127.db2.gz XRNWIAUEQWYFBT-KKLQWCBXSA-N 0 0 386.451 5.973 50 10 GKCARN COc1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000013389429 221267703 /nfs/dbraw/zinc/26/77/03/221267703.db2.gz CBOIWRUQWHIBNW-VFVRVIDISA-N 0 0 390.361 5.449 50 10 GKCARN CCOc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1O ZINC000015016211 221326598 /nfs/dbraw/zinc/32/65/98/221326598.db2.gz BAPKTBYGPQCKON-VGOFRKELSA-N 0 0 392.480 5.095 50 10 GKCARN CCN1C(=O)/C(=C/C=C2\Sc3ccc4ccccc4c3N2CC)SC1=S ZINC000016102166 221357796 /nfs/dbraw/zinc/35/77/96/221357796.db2.gz QVPNVTXAJDKIPT-LSQIQBGYSA-N 0 0 398.578 5.377 50 10 GKCARN COc1ccc(/C(C)=C2\SC(=S)N(c3cccc(C)c3C)C2=O)cc1OC ZINC000016213018 221358845 /nfs/dbraw/zinc/35/88/45/221358845.db2.gz GROPBDSANLZYTD-RGEXLXHISA-N 0 0 399.537 5.117 50 10 GKCARN CCCCOc1ccc(N2COc3c(C)c4oc(=O)cc(CC)c4cc3C2)cc1 ZINC000002114156 136193291 /nfs/dbraw/zinc/19/32/91/136193291.db2.gz WDSKJYYFSXPQEL-UHFFFAOYSA-N 0 0 393.483 5.199 50 10 biogenic GKCARN O=C1c2ccccc2N[C@H](c2ccc(N3CCCCC3)cc2)N1Cc1ccco1 ZINC000008159673 136195439 /nfs/dbraw/zinc/19/54/39/136195439.db2.gz XIYODBVQWZAHIP-QHCPKHFHSA-N 0 0 387.483 5.037 50 10 GKCARN CCCNC(=O)c1ccc(-n2c(-c3ccc(F)cc3)cc3c2CCCCC3)cc1 ZINC000033114829 221771845 /nfs/dbraw/zinc/77/18/45/221771845.db2.gz DTPBSUQYSGWYAA-UHFFFAOYSA-N 0 0 390.502 5.692 50 10 GKCARN Cc1ccc(NCN2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)cc1 ZINC000038204805 221877987 /nfs/dbraw/zinc/87/79/87/221877987.db2.gz BEGXHDJXLFPOSH-XDHOZWIPSA-N 0 0 382.554 5.389 50 10 GKCARN COc1ccc(C2=N[C@H](c3cccc(Cl)c3)N[C@H](c3ccccc3O)C2)cc1 ZINC000053364852 222008828 /nfs/dbraw/zinc/00/88/28/222008828.db2.gz GYKOZKDUXZVEGM-GMAHTHKFSA-N 0 0 392.886 5.277 50 10 GKCARN Oc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=N[C@H](c2ccc(Cl)cc2)N1 ZINC000053363522 222009775 /nfs/dbraw/zinc/00/97/75/222009775.db2.gz TXUHOCWOHJNUOL-UNMCSNQZSA-N 0 0 397.305 5.922 50 10 GKCARN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000058929059 222055970 /nfs/dbraw/zinc/05/59/70/222055970.db2.gz YLSUAPGTJOFOMX-RLFDGXBXSA-N 0 0 395.673 6.382 50 10 GKCARN O=C1c2ccccc2C(=O)C1C1=C[C@H](c2ccccc2)[C@@H](c2ccccc2)N=N1 ZINC000100561195 222459610 /nfs/dbraw/zinc/45/96/10/222459610.db2.gz KIYHLVSJGSNBEX-NFBKMPQASA-N 0 0 378.431 5.557 50 10 GKCARN CCN(CC)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000100726188 222460876 /nfs/dbraw/zinc/46/08/76/222460876.db2.gz VRLGJTNNGMODGO-DEOSSOPVSA-N 0 0 389.543 6.404 50 10 GKCARN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000111478758 570217093 /nfs/dbraw/zinc/21/70/93/570217093.db2.gz LKIDKUHISJOOEA-GQIGUUNPSA-N 0 0 398.300 5.371 50 10 GKCARN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000111479142 570217163 /nfs/dbraw/zinc/21/71/63/570217163.db2.gz FHZOQPDFTUUOAY-GQIGUUNPSA-N 0 0 398.300 5.371 50 10 GKCARN CC[C@H]1CCCC[N@@H+]1Cc1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1[O-] ZINC000019789568 570218867 /nfs/dbraw/zinc/21/88/67/570218867.db2.gz DRWYHIUILSIYHE-SFHVURJKSA-N 0 0 377.484 5.239 50 10 GKCARN CC[NH+](CC)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc21 ZINC000019789602 570218912 /nfs/dbraw/zinc/21/89/12/570218912.db2.gz MMMMLHVMDHJCGY-UHFFFAOYSA-N 0 0 392.282 5.314 50 10 GKCARN CC(C)N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000001455278 570227046 /nfs/dbraw/zinc/22/70/46/570227046.db2.gz XZHFRMKQBAMXEG-NVNXTCNLSA-N 0 0 398.336 5.863 50 10 GKCARN Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@H]3[C@@H](c3cccnc3)N4)sc2c1 ZINC000001461906 570229958 /nfs/dbraw/zinc/22/99/58/570229958.db2.gz RCZATSUNPIHBAL-KHCICDEESA-N 0 0 395.531 6.493 50 10 GKCARN Cc1ccc(C)n1-c1ncccc1OCc1nnc(-c2ccc3ccccc3c2)o1 ZINC000001034157 570236540 /nfs/dbraw/zinc/23/65/40/570236540.db2.gz PPJCPYJDRMBJDD-UHFFFAOYSA-N 0 0 396.450 5.271 50 10 GKCARN COc1cc2c(cc1NCC(=O)Nc1cccc(SC)c1)oc1ccccc12 ZINC000011619284 570237850 /nfs/dbraw/zinc/23/78/50/570237850.db2.gz UZPTUPZHHBBIAZ-UHFFFAOYSA-N 0 0 392.480 5.367 50 10 GKCARN Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1cccc(C)c1C ZINC000004819280 570241074 /nfs/dbraw/zinc/24/10/74/570241074.db2.gz OBQWGSGTGLABDC-HAHDFKILSA-N 0 0 383.495 5.517 50 10 GKCARN CCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000001122853 570243865 /nfs/dbraw/zinc/24/38/65/570243865.db2.gz ILFPCEQTEJWVCC-CXUHLZMHSA-N 0 0 393.892 5.284 50 10 GKCARN O=[N+]([O-])c1cccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@H]32)c1 ZINC000001127618 570244632 /nfs/dbraw/zinc/24/46/32/570244632.db2.gz GWTIDZVWFXMAEX-VBQJREDUSA-N 0 0 389.224 5.323 50 10 GKCARN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(SC(F)F)cc1 ZINC000048366127 570245925 /nfs/dbraw/zinc/24/59/25/570245925.db2.gz OYVVFTJYQJXIHR-UHFFFAOYSA-N 0 0 378.488 5.118 50 10 GKCARN Cc1cc(C)c(NC(=O)CSc2ncc(-c3ccccc3)n2C)c(Cl)c1 ZINC000005175193 570248868 /nfs/dbraw/zinc/24/88/68/570248868.db2.gz ONHFEFOHGXQTAX-UHFFFAOYSA-N 0 0 385.920 5.088 50 10 GKCARN Cc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)s1 ZINC000001150744 570249105 /nfs/dbraw/zinc/24/91/05/570249105.db2.gz OPDMQBSSCANDCF-MDWZMJQESA-N 0 0 385.457 5.481 50 10 GKCARN COc1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1C ZINC000001159969 570251452 /nfs/dbraw/zinc/25/14/52/570251452.db2.gz JESKFHBAGSEHPY-JOCHJYFZSA-N 0 0 385.467 5.162 50 10 aggregator GKCARN O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000001560692 570264661 /nfs/dbraw/zinc/26/46/61/570264661.db2.gz PSRXUNISIVEMMT-AUWJEWJLSA-N 0 0 384.284 5.538 50 10 GKCARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000100085740 570266044 /nfs/dbraw/zinc/26/60/44/570266044.db2.gz KFIAGZKQQLLMLN-XDHOZWIPSA-N 0 0 380.806 5.545 50 10 GKCARN CC(C)OP(=O)(OC(C)C)[C@H](Nc1ccc(N)cc1)c1cccc(N)c1 ZINC000001766444 570268240 /nfs/dbraw/zinc/26/82/40/570268240.db2.gz ZNFVEGXOOKOIMO-IBGZPJMESA-N 0 0 377.425 5.005 50 10 GKCARN O=C1c2ccccc2C(=O)C1C1=C[C@@H](c2ccccc2)[C@H](c2ccccc2)N=N1 ZINC000100561197 570273264 /nfs/dbraw/zinc/27/32/64/570273264.db2.gz KIYHLVSJGSNBEX-REWPJTCUSA-N 0 0 378.431 5.557 50 10 GKCARN Cc1c2cc(Cl)ccc2sc1C(=O)CCSc1ccc(Cl)cc1 ZINC000002148324 570276177 /nfs/dbraw/zinc/27/61/77/570276177.db2.gz AGSAHUTUQRECLA-UHFFFAOYSA-N 0 0 381.349 6.882 50 10 GKCARN CC(C)c1ccc(CN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000005764710 570276310 /nfs/dbraw/zinc/27/63/10/570276310.db2.gz PHZKMFYEJCMNDZ-DEDYPNTBSA-N 0 0 380.513 5.113 50 10 GKCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc(O)c(OCC)c2)SC1=S ZINC000002678048 570294883 /nfs/dbraw/zinc/29/48/83/570294883.db2.gz JINJDAOZAQCVNC-HIXWQLQUSA-N 0 0 393.574 5.209 50 10 GKCARN Cc1ccccc1N1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S ZINC000002784580 570301846 /nfs/dbraw/zinc/30/18/46/570301846.db2.gz QJRRABVXOJADMN-DHDCSXOGSA-N 0 0 380.321 5.708 50 10 GKCARN CCCOc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1 ZINC000002834635 570305674 /nfs/dbraw/zinc/30/56/74/570305674.db2.gz VWFITOYWQVZLRO-QHCPKHFHSA-N 0 0 399.494 5.634 50 10 GKCARN Cc1ccnc(N[C@H](c2ccc3ccc(C)nc3c2O)c2cc(C)ccc2C)c1 ZINC000002839074 570306631 /nfs/dbraw/zinc/30/66/31/570306631.db2.gz LWRIRUDIKOTCLE-XMMPIXPASA-N 0 0 383.495 5.771 50 10 GKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000100148102 570308209 /nfs/dbraw/zinc/30/82/09/570308209.db2.gz ITBQPZZPINZSTJ-SFQUDFHCSA-N 0 0 397.261 6.060 50 10 GKCARN O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1c1ccc(F)cc1 ZINC000022309514 570312646 /nfs/dbraw/zinc/31/26/46/570312646.db2.gz QTAPQPMULONPAB-WQRHYEAKSA-N 0 0 399.443 5.631 50 10 GKCARN Cc1ccc(C)c([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)c1 ZINC000002868406 570313298 /nfs/dbraw/zinc/31/32/98/570313298.db2.gz JWBUCSUIVCHQRM-OAQYLSRUSA-N 0 0 389.886 5.807 50 10 GKCARN CC1(C)Cc2c(cc(-c3ccccc3)n2-c2cccc(C(F)(F)F)c2)C(=O)C1 ZINC000000753929 570314735 /nfs/dbraw/zinc/31/47/35/570314735.db2.gz NTSJWMDOUHJDLO-UHFFFAOYSA-N 0 0 383.413 6.318 50 10 biogenic GKCARN COc1ccc2ccccc2c1/C=C1\C=C(c2ccc3cc(C)ccc3c2)OC1=O ZINC000022064132 570320334 /nfs/dbraw/zinc/32/03/34/570320334.db2.gz DBHOXXWHYJWMNO-PXLXIMEGSA-N 0 0 392.454 6.291 50 10 GKCARN CCN1C(=O)/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)SC1=S ZINC000002978121 570321480 /nfs/dbraw/zinc/32/14/80/570321480.db2.gz IVKPDYKYIGFVSE-NDENLUEZSA-N 0 0 392.549 5.219 50 10 GKCARN CN(C)c1ccc(-c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 ZINC000001650065 570326076 /nfs/dbraw/zinc/32/60/76/570326076.db2.gz OHBURKFGNGOZIM-UHFFFAOYSA-N 0 0 398.487 5.803 50 10 GKCARN CCOC(=O)C1=C(C)N(Cc2ccc(Cl)cc2Cl)c2ccccc2S1 ZINC000003134893 570330054 /nfs/dbraw/zinc/33/00/54/570330054.db2.gz QPZVVUVVGFVLHV-UHFFFAOYSA-N 0 0 394.323 5.900 50 10 GKCARN CCCOc1ccc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)N=C2C)cc1OC ZINC000004844996 570339553 /nfs/dbraw/zinc/33/95/53/570339553.db2.gz WKPHNVLMHMDSQM-WQRHYEAKSA-N 0 0 398.890 5.252 50 10 GKCARN O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000003460533 570347163 /nfs/dbraw/zinc/34/71/63/570347163.db2.gz SSGFHSUVGYDMBC-QSJINSDNSA-N 0 0 392.332 5.955 50 10 GKCARN Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000004853864 570348726 /nfs/dbraw/zinc/34/87/26/570348726.db2.gz FTQPVZQBZJUGBQ-IWIPYMOSSA-N 0 0 383.495 5.517 50 10 GKCARN C1=C[C@@H]2c3cc(C45CC6CC(CC(C6)C4)C5)ccc3N[C@@H](c3cccnc3)[C@@H]2C1 ZINC000006257686 570351989 /nfs/dbraw/zinc/35/19/89/570351989.db2.gz FXKOZSJVNPPUCN-MBAAAZACSA-N 0 0 382.551 6.376 50 10 GKCARN CC1(C)Cc2c(cc(-c3ccc(Cl)cc3)n2-c2cccc(Cl)c2)C(=O)C1 ZINC000004885044 570354926 /nfs/dbraw/zinc/35/49/26/570354926.db2.gz GZINBRJRIDFRKK-UHFFFAOYSA-N 0 0 384.306 6.606 50 10 GKCARN Cc1ccc(-c2cc3c(n2-c2ccc(F)c(Cl)c2)CC(C)(C)CC3=O)cc1 ZINC000004884940 570354934 /nfs/dbraw/zinc/35/49/34/570354934.db2.gz NSCXHJZIFDYPPU-UHFFFAOYSA-N 0 0 381.878 6.400 50 10 GKCARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000006270762 570356561 /nfs/dbraw/zinc/35/65/61/570356561.db2.gz SVYIQEDJHGFDEQ-VTXMHGDESA-N 0 0 393.874 6.470 50 10 GKCARN O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(OC(F)(F)F)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004081968 570357109 /nfs/dbraw/zinc/35/71/09/570357109.db2.gz FQCUSEMHJCASRV-MPGHIAIKSA-N 0 0 376.334 5.320 50 10 GKCARN Cc1cccc(N[C@H](c2ccc(N(C)C)cc2)c2ccc3ccc(C)nc3c2O)n1 ZINC000004164726 570360522 /nfs/dbraw/zinc/36/05/22/570360522.db2.gz HOCWFUDKLDDDRQ-HSZRJFAPSA-N 0 0 398.510 5.220 50 10 GKCARN COC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000004237789 570363743 /nfs/dbraw/zinc/36/37/43/570363743.db2.gz RFGZRZFJYXZZHG-UHFFFAOYSA-N 0 0 388.294 6.163 50 10 GKCARN CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004333771 570368724 /nfs/dbraw/zinc/36/87/24/570368724.db2.gz HMHOIRIIIQAKTE-HSZRJFAPSA-N 0 0 386.455 5.017 50 10 GKCARN Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000004348234 570369955 /nfs/dbraw/zinc/36/99/55/570369955.db2.gz JFZBWQQOWNVMBU-ZQIUZPCESA-N 0 0 395.127 6.582 50 10 GKCARN COc1ccc(Cl)c2c1N[C@@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 ZINC000004362937 570371166 /nfs/dbraw/zinc/37/11/66/570371166.db2.gz YNCGFOQAHMGLRL-FTLABTOESA-N 0 0 390.708 5.938 50 10 GKCARN CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(Cl)cc2)cc1 ZINC000004532256 570382355 /nfs/dbraw/zinc/38/23/55/570382355.db2.gz DJQWUQXGETUZLB-HSZRJFAPSA-N 0 0 375.903 5.762 50 10 GKCARN Clc1ccc2c(c1Cl)N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 ZINC000004578454 570386104 /nfs/dbraw/zinc/38/61/04/570386104.db2.gz CXKQYUCLXMIULC-DCGLDWPTSA-N 0 0 395.127 6.582 50 10 GKCARN Clc1ccc2c(c1Cl)N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 ZINC000004578452 570386125 /nfs/dbraw/zinc/38/61/25/570386125.db2.gz CXKQYUCLXMIULC-OGHNNQOOSA-N 0 0 395.127 6.582 50 10 GKCARN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1 ZINC000004611334 570387229 /nfs/dbraw/zinc/38/72/29/570387229.db2.gz RCWAQLXCPZPFOB-PXLXIMEGSA-N 0 0 398.462 5.080 50 10 GKCARN COc1ccccc1[C@H]1Nc2c(Cl)ccc(C(F)(F)F)c2[C@H]2C=CC[C@H]21 ZINC000004664569 570390843 /nfs/dbraw/zinc/39/08/43/570390843.db2.gz WGENDORRYGHSIW-IUUKEHGRSA-N 0 0 379.809 6.194 50 10 GKCARN COc1ccc(Cl)c2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 ZINC000004721952 570397405 /nfs/dbraw/zinc/39/74/05/570397405.db2.gz OZJSNVHPBLWZER-PMUMKWKESA-N 0 0 390.708 5.938 50 10 GKCARN COc1ccccc1N1C(=O)/C(=C/c2ccc(Cl)cc2)C=C1c1ccccc1 ZINC000004738986 570400228 /nfs/dbraw/zinc/40/02/28/570400228.db2.gz FYUKLCXOBSSANT-XDJHFCHBSA-N 0 0 387.866 5.820 50 10 GKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1C ZINC000004738996 570400368 /nfs/dbraw/zinc/40/03/68/570400368.db2.gz UBPOWJDMZIDSFL-RCCKNPSSSA-N 0 0 396.446 5.683 50 10 GKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000004738989 570400391 /nfs/dbraw/zinc/40/03/91/570400391.db2.gz NFIMDRJXNCBGLG-CJLVFECKSA-N 0 0 381.475 5.783 50 10 GKCARN O=C1NC(=S)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)S1 ZINC000033365735 570407610 /nfs/dbraw/zinc/40/76/10/570407610.db2.gz RKXYPGNDHZJGGU-YBEGLDIGSA-N 0 0 397.912 5.317 50 10 GKCARN O=C1/C(=C/c2ccccc2Cl)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000004812561 570407687 /nfs/dbraw/zinc/40/76/87/570407687.db2.gz SDWSIYOJXCPDCS-ZSOIEALJSA-N 0 0 399.846 5.765 50 10 GKCARN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(C)cc1O)C(C)(C)N2 ZINC000004814847 570407935 /nfs/dbraw/zinc/40/79/35/570407935.db2.gz OYSDPVJJYOUFDN-XDOYNYLZSA-N 0 0 398.553 5.782 50 10 GKCARN COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(C)=O)cc2[C@@H]2C=CC[C@H]21 ZINC000004821438 570408856 /nfs/dbraw/zinc/40/88/56/570408856.db2.gz FGWJVUVUPVNYQO-WHSLLNHNSA-N 0 0 398.300 5.487 50 10 GKCARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cc(Cl)ccc2O)cc1 ZINC000004854083 570412394 /nfs/dbraw/zinc/41/23/94/570412394.db2.gz ZCRGQXPTRRDJRR-NZQKXSOJSA-N 0 0 390.870 5.596 50 10 GKCARN Oc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025558806 570415626 /nfs/dbraw/zinc/41/56/26/570415626.db2.gz QFGWWMOKECHORR-DENIHFKCSA-N 0 0 376.843 5.288 50 10 GKCARN Oc1ccc(Cl)cc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(F)cc3)=NN21 ZINC000025572809 570415998 /nfs/dbraw/zinc/41/59/98/570415998.db2.gz PITRAGZEVXQZQG-DENIHFKCSA-N 0 0 394.833 5.427 50 10 GKCARN CN1c2ccccc2C(C)(C)/C1=C\C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000033906328 570421667 /nfs/dbraw/zinc/42/16/67/570421667.db2.gz VVIIOIPUFUBROD-HJGWPUIUSA-N 0 0 392.549 5.247 50 10 GKCARN CCOc1ccc(N(C)c2ccc(/C=C3/SC(=S)N(CC)C3=O)cc2)cc1 ZINC000005129490 570422375 /nfs/dbraw/zinc/42/23/75/570422375.db2.gz JUPPQYABLJODPJ-XMHGGMMESA-N 0 0 398.553 5.074 50 10 GKCARN CCCNC(=S)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000005050294 570426427 /nfs/dbraw/zinc/42/64/27/570426427.db2.gz MNPYFAVCMQZAOH-UHFFFAOYSA-N 0 0 396.519 5.786 50 10 GKCARN CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2)SC1=S ZINC000005102488 570429457 /nfs/dbraw/zinc/42/94/57/570429457.db2.gz MZTJXUOGGFBWGV-GZTJUZNOSA-N 0 0 389.929 5.140 50 10 GKCARN Cc1cccc(N[C@@H](c2cccc(Cl)c2)c2ccc3cccnc3c2O)n1 ZINC000005102440 570429529 /nfs/dbraw/zinc/42/95/29/570429529.db2.gz AQUHDFIBNORODJ-FQEVSTJZSA-N 0 0 375.859 5.499 50 10 aggregator GKCARN CCCCOc1ccc(NC=C2SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000100706650 570434704 /nfs/dbraw/zinc/43/47/04/570434704.db2.gz XJROSSXZMSOHKE-NBVRZTHBSA-N 0 0 390.574 5.312 50 10 GKCARN CC(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)cc1 ZINC000027799870 570443574 /nfs/dbraw/zinc/44/35/74/570443574.db2.gz BGMBPWBORIUVGS-UHFFFAOYSA-N 0 0 389.499 5.428 50 10 GKCARN Cc1ccsc1[C@H](Nc1cccc(C)n1)c1ccc2ccc(C)nc2c1O ZINC000005740673 570454593 /nfs/dbraw/zinc/45/45/93/570454593.db2.gz DDEXKWRWFNUKNE-HXUWFJFHSA-N 0 0 375.497 5.524 50 10 GKCARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000028355496 570458533 /nfs/dbraw/zinc/45/85/33/570458533.db2.gz XUHZYWNBOVBDNN-AUWJEWJLSA-N 0 0 382.432 5.442 50 10 GKCARN CCN(CC)c1ccc(/C(c2c[nH]c3ccccc23)=C2/C=Nc3ccccc32)cc1 ZINC000226757420 570461519 /nfs/dbraw/zinc/46/15/19/570461519.db2.gz BVWRVVRWXFSVRA-SOYKGTTHSA-N 0 0 391.518 6.689 50 10 GKCARN COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1 ZINC000005170484 570491238 /nfs/dbraw/zinc/49/12/38/570491238.db2.gz FVQACQNGUNSROS-OVCLIPMQSA-N 0 0 396.320 5.408 50 10 GKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)C2=N)S1 ZINC000030696673 570493912 /nfs/dbraw/zinc/49/39/12/570493912.db2.gz HSOMMOXIZIJUPH-VGCFXMIHSA-N 0 0 398.875 5.019 50 10 GKCARN CCN1C=C/C(=C/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000030738273 570494259 /nfs/dbraw/zinc/49/42/59/570494259.db2.gz KVYUQKQIYKVUJE-BLGUCIKASA-N 0 0 390.533 5.372 50 10 GKCARN Cc1cc(C)cc(Oc2c(C)oc3c(ccc([O-])c3C[NH+]3CCCCC3)c2=O)c1 ZINC000005182787 570496709 /nfs/dbraw/zinc/49/67/09/570496709.db2.gz FDPXOHKQNVGSNF-UHFFFAOYSA-N 0 0 393.483 5.202 50 10 GKCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(C(F)(F)F)c1)N2 ZINC000004757869 570497806 /nfs/dbraw/zinc/49/78/06/570497806.db2.gz ANSKEBAPMGMQFR-HLIPFELVSA-N 0 0 387.401 5.709 50 10 GKCARN CCOC(=O)c1c(NC(=O)CC)sc(-c2ccccc2)c1-c1ccccc1 ZINC000002060799 570501479 /nfs/dbraw/zinc/50/14/79/570501479.db2.gz PGIAZBHRYRBESS-UHFFFAOYSA-N 0 0 379.481 5.607 50 10 GKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S ZINC000002677772 570503497 /nfs/dbraw/zinc/50/34/97/570503497.db2.gz QGIPAGYFPDHDSZ-OKHBPPCESA-N 0 0 394.348 5.956 50 10 GKCARN CCCCOc1ccc(/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000002811640 570519292 /nfs/dbraw/zinc/51/92/92/570519292.db2.gz WSGIMWIXIPQHKZ-XSFVSMFZSA-N 0 0 397.565 5.575 50 10 GKCARN COc1ccc(-n2c(C)cc(-c3csc(NC(=O)CC(C)(C)C)n3)c2C)cc1 ZINC000005262158 570531783 /nfs/dbraw/zinc/53/17/83/570531783.db2.gz ZZCVCFHMQKRISC-UHFFFAOYSA-N 0 0 397.544 5.601 50 10 GKCARN COc1ccccc1[C@H](NC(=O)C1CCCCC1)c1ccc2ccccc2c1O ZINC000002997758 570539363 /nfs/dbraw/zinc/53/93/63/570539363.db2.gz XRNVRLBZCFLYOT-QHCPKHFHSA-N 0 0 389.495 5.340 50 10 GKCARN Cc1[nH]c2ccccc2c1C=C1SC(Nc2ccc(C)c(Cl)c2)=NC1=O ZINC000005061496 570541139 /nfs/dbraw/zinc/54/11/39/570541139.db2.gz SCRMGBAEPVBBMR-ZDLGFXPLSA-N 0 0 381.888 5.521 50 10 GKCARN CCn1c2ccccc2c2cc(/C=C3\C(=O)N(c4ccccc4)N=C3C)ccc21 ZINC000096400864 570543306 /nfs/dbraw/zinc/54/33/06/570543306.db2.gz IMDJRFNQOAHCJQ-QNGOZBTKSA-N 0 0 379.463 5.621 50 10 GKCARN Oc1ccccc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@@H]2c1cccs1 ZINC000006721638 570550341 /nfs/dbraw/zinc/55/03/41/570550341.db2.gz HLSDCQMVEFGPRL-OXQOHEQNSA-N 0 0 382.872 5.349 50 10 GKCARN CC(C)CNc1cc(N2CCC[C@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006737906 570562193 /nfs/dbraw/zinc/56/21/93/570562193.db2.gz ONLHRYDONXSWJY-HNNXBMFYSA-N 0 0 389.499 5.343 50 10 GKCARN O=C1c2ccccc2-c2onc3c2c1c(NC1CCCCC1)cc3N1CCCC1 ZINC000006737916 570562203 /nfs/dbraw/zinc/56/22/03/570562203.db2.gz LSRQKXFVAQHVHY-UHFFFAOYSA-N 0 0 387.483 5.384 50 10 GKCARN COC(=O)c1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000015163327 570567282 /nfs/dbraw/zinc/56/72/82/570567282.db2.gz MAPLJDVVHBOMAU-MDZRGWNJSA-N 0 0 384.273 5.062 50 10 GKCARN C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000225406063 570570415 /nfs/dbraw/zinc/57/04/15/570570415.db2.gz CWKSDTFOGWGMAB-LLVKDONJSA-N 0 0 393.327 5.203 50 10 GKCARN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1cccc2ccccc21 ZINC000034234058 570600379 /nfs/dbraw/zinc/60/03/79/570600379.db2.gz SYPSWZXGKKJGLL-NDENLUEZSA-N 0 0 386.501 5.727 50 10 GKCARN O=C1NC(=S)S/C1=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000004599137 570631542 /nfs/dbraw/zinc/63/15/42/570631542.db2.gz BFHQURQTQGPOOQ-NVNXTCNLSA-N 0 0 396.320 5.061 50 10 GKCARN COc1ccc2c(c1)c(NCc1ccccc1Cl)c1ccc(Cl)cc1[n+]2[O-] ZINC000071767024 570652388 /nfs/dbraw/zinc/65/23/88/570652388.db2.gz QXQGEPOPSODBKP-UHFFFAOYSA-N 0 0 399.277 5.554 50 10 GKCARN CC(C)(C)OC(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N ZINC000005260893 570660185 /nfs/dbraw/zinc/66/01/85/570660185.db2.gz XYJCTYIGSVCYDG-UHFFFAOYSA-N 0 0 394.418 5.520 50 10 GKCARN Cc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)s1 ZINC000005533953 570664161 /nfs/dbraw/zinc/66/41/61/570664161.db2.gz YKPWXWMEESFCMT-OAQYLSRUSA-N 0 0 375.497 5.524 50 10 GKCARN Cc1cc2c(n1-c1ccc(C(=O)NC[C@H](C)c3ccccc3)cc1)CC[C@@H](C)C2 ZINC000006877967 570669322 /nfs/dbraw/zinc/66/93/22/570669322.db2.gz LSWNGBSJVMNJFU-MOPGFXCFSA-N 0 0 386.539 5.444 50 10 GKCARN CCN1C(=O)/C(=C\C=C\C=C\C=C2\N(C)c3ccccc3C2(C)C)SC1=S ZINC000685944532 570675720 /nfs/dbraw/zinc/67/57/20/570675720.db2.gz KWZMSVVRQQAYIC-XPHKTMGASA-N 0 0 396.581 5.174 50 10 GKCARN O=C1/C(=C\c2ccc(-c3cccc(F)c3)o2)SC(=S)N1C1CCCCC1 ZINC000032593918 570679466 /nfs/dbraw/zinc/67/94/66/570679466.db2.gz GLXIJMQYMODUNR-LDADJPATSA-N 0 0 387.501 5.620 50 10 GKCARN O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O ZINC000006889715 570683760 /nfs/dbraw/zinc/68/37/60/570683760.db2.gz JPFPEUNRNBSDDK-FQEVSTJZSA-N 0 0 376.843 5.037 50 10 GKCARN O=C1N=C(Nc2ccccc2)SC1=Cc1c2ccccc2cc2ccccc21 ZINC000005785691 570690334 /nfs/dbraw/zinc/69/03/34/570690334.db2.gz LMSIZDUBSBTGNW-PXLXIMEGSA-N 0 0 380.472 6.075 50 10 GKCARN CCOC(=O)c1cc(C)n(-c2ccc(C(=O)Nc3ccc(C)cc3C)cc2)c1C ZINC000006899538 570694112 /nfs/dbraw/zinc/69/41/12/570694112.db2.gz AEZUREJWCXJLBG-UHFFFAOYSA-N 0 0 390.483 5.140 50 10 GKCARN Oc1ccc2ccccc2c1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000072332606 570705490 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PQSZUBCYMXTAKK-UHFFFAOYSA-N 0 0 391.478 7.368 50 10 GKCARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1Cc1ccccc1 ZINC000005682893 230842632 /nfs/dbraw/zinc/84/26/32/230842632.db2.gz XACPOTJVTIASPJ-RCCKNPSSSA-N 0 0 382.419 5.062 50 10 GKCARN O=C1/C(=C/c2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc(Cl)cc1 ZINC000016156532 210184300 /nfs/dbraw/zinc/18/43/00/210184300.db2.gz HMIFKCLQWMDXBO-ZROIWOOFSA-N 0 0 399.846 5.765 50 10 GKCARN CN1C(=O)/C(=C\C=C2/Sc3ccccc3N2c2ccccc2)SC1=S ZINC000015938456 210179799 /nfs/dbraw/zinc/17/97/99/210179799.db2.gz NUKCLJMJXZIQGL-LZTIWXADSA-N 0 0 382.535 5.146 50 10 GKCARN CCc1c(C)c2ccc([O-])c(C[N@H+](Cc3cccs3)C3CCCC3)c2oc1=O ZINC000015834016 210172938 /nfs/dbraw/zinc/17/29/38/210172938.db2.gz OHCLGLVHJRQHLF-UHFFFAOYSA-N 0 0 397.540 5.376 50 10 GKCARN Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 ZINC000013633886 210074278 /nfs/dbraw/zinc/07/42/78/210074278.db2.gz DBCQRZTZYFFHEG-NQCMUKECSA-N 0 0 375.255 6.037 50 10 GKCARN COc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O ZINC000013602651 210071900 /nfs/dbraw/zinc/07/19/00/210071900.db2.gz SMKDEHJOTMHCOR-UNOMPAQXSA-N 0 0 395.480 5.393 50 10 GKCARN CCn1c2ccccc2c2oc(NCc3ccccc3)c(-c3cccnc3)c2c1=O ZINC000006669424 209668064 /nfs/dbraw/zinc/66/80/64/209668064.db2.gz SBRYUHTXIMUHCS-UHFFFAOYSA-N 0 0 395.462 5.442 50 10 GKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3Cl)C2=O)cc1 ZINC000004738990 209520122 /nfs/dbraw/zinc/52/01/22/209520122.db2.gz DHMVBOUDLNRTGL-XDJHFCHBSA-N 0 0 387.866 5.820 50 10 GKCARN COc1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000004172120 209468970 /nfs/dbraw/zinc/46/89/70/209468970.db2.gz CBOIWRUQWHIBNW-VBHSOAQHSA-N 0 0 390.361 5.449 50 10 GKCARN Cc1ccc(C)c(C2=C/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)O2)c1 ZINC000003664289 209452797 /nfs/dbraw/zinc/45/27/97/209452797.db2.gz FIZFRIHSGAYQEI-JCMHNJIXSA-N 0 0 382.459 5.864 50 10 GKCARN CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3ccccc3c2)cc1 ZINC000002906338 209396422 /nfs/dbraw/zinc/39/64/22/209396422.db2.gz YQPWIHLPKCORMM-VWLOTQADSA-N 0 0 393.490 5.677 50 10 GKCARN COc1ccc2c3ccc(OCc4ccc(F)cc4F)c(C)c3oc(=O)c2c1 ZINC000002841425 209390062 /nfs/dbraw/zinc/39/00/62/209390062.db2.gz OBVVUEUKHFQPJS-UHFFFAOYSA-N 0 0 382.362 5.120 50 10 GKCARN CSc1ccc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc1 ZINC000002817199 209388536 /nfs/dbraw/zinc/38/85/36/209388536.db2.gz RWEFLBIDUYSNPU-JXAWBTAJSA-N 0 0 385.579 5.243 50 10 GKCARN CSc1ccc(/C=C2\SC(=S)N(CCC3CCCCC3)C2=O)cc1 ZINC000002817251 209388001 /nfs/dbraw/zinc/38/80/01/209388001.db2.gz BIMASHWNTXTVFP-LGMDPLHJSA-N 0 0 377.600 5.580 50 10 GKCARN CCCOc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 ZINC000002470397 209366501 /nfs/dbraw/zinc/36/65/01/209366501.db2.gz IBYCAQPUJIALTP-QFIPXVFZSA-N 0 0 385.467 5.326 50 10 GKCARN CCc1c2c(N)c(C(=O)OCc3ccccc3)sc2nc2c1CCCCCC2 ZINC000002190899 209350053 /nfs/dbraw/zinc/35/00/53/209350053.db2.gz OHAJEJDREDCVEB-UHFFFAOYSA-N 0 0 394.540 5.457 50 10 GKCARN CCOc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1C ZINC000002073835 209345313 /nfs/dbraw/zinc/34/53/13/209345313.db2.gz WNNRRYFKFYPPNA-QHCPKHFHSA-N 0 0 399.494 5.552 50 10 GKCARN Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(C(C)(C)C)cc3)c(O)c2n1 ZINC000002073867 209345249 /nfs/dbraw/zinc/34/52/49/209345249.db2.gz IPDZJNIZUSHWQI-HSZRJFAPSA-N 0 0 397.522 6.143 50 10 GKCARN CC(=Cc1ccccc1)C=C1SC(Nc2cc(Cl)cc(Cl)c2)=NC1=O ZINC000001749514 209338274 /nfs/dbraw/zinc/33/82/74/209338274.db2.gz GOVDXADQNGZDMM-UOWJXHAGSA-N 0 0 389.307 6.022 50 10 GKCARN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1C ZINC000001416384 209326850 /nfs/dbraw/zinc/32/68/50/209326850.db2.gz NTVDRVMZPZZLHH-LZYBPNLTSA-N 0 0 393.892 5.202 50 10 GKCARN COc1cccc2c1O[C@H](c1cccs1)N1N=C(c3cc(C)ccc3O)C[C@H]21 ZINC000010215937 209321410 /nfs/dbraw/zinc/32/14/10/209321410.db2.gz ZCSBQDHMACUBKM-VGOFRKELSA-N 0 0 392.480 5.013 50 10 GKCARN CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000001219471 209316372 /nfs/dbraw/zinc/31/63/72/209316372.db2.gz IUGMLTSTEDLBRS-LFIBNONCSA-N 0 0 375.902 5.145 50 10 GKCARN COc1cccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)c1 ZINC000001220848 209316554 /nfs/dbraw/zinc/31/65/54/209316554.db2.gz QZPIPMRRLAVKNN-DHDCSXOGSA-N 0 0 396.320 5.408 50 10 GKCARN CCOc1ccc(N2COc3ccc4cc(Br)ccc4c3C2)cc1 ZINC000001178298 209310831 /nfs/dbraw/zinc/31/08/31/209310831.db2.gz BLCXNIDFXMVPIX-UHFFFAOYSA-N 0 0 384.273 5.358 50 10 GKCARN COC(=O)c1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000001175599 209310577 /nfs/dbraw/zinc/31/05/77/209310577.db2.gz MAPLJDVVHBOMAU-GJYPPUQNSA-N 0 0 384.273 5.062 50 10 GKCARN COc1ccccc1N1C(=O)/C(=C(\C)c2ccc(Cl)cc2)SC1=S ZINC000001165091 209308506 /nfs/dbraw/zinc/30/85/06/209308506.db2.gz STAMSJSRXVGVDC-WJDWOHSUSA-N 0 0 375.902 5.145 50 10 GKCARN COc1cc(Br)cc(CNc2cc(Cl)cc(Cl)c2)c1O ZINC000001085092 209297761 /nfs/dbraw/zinc/29/77/61/209297761.db2.gz GFJITXZZKXLRAK-UHFFFAOYSA-N 0 0 377.065 5.082 50 10 GKCARN O=c1c2ccc([O-])c(C[NH+]3CCCCCC3)c2occ1-c1ccc(Cl)cc1 ZINC000019789598 209235725 /nfs/dbraw/zinc/23/57/25/209235725.db2.gz LUXRPLCOGZWQEC-UHFFFAOYSA-N 0 0 383.875 5.195 50 10 biogenic GKCARN Cc1c2ccc([O-])c(C[N@H+]3CCC[C@@H](C)C3)c2oc(=O)c1-c1ccc(Cl)cc1 ZINC000004340375 209231857 /nfs/dbraw/zinc/23/18/57/209231857.db2.gz UDHQUGUVSWOGGT-CQSZACIVSA-N 0 0 397.902 5.359 50 10 GKCARN C/C(=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(F)cc1 ZINC000001476344 212247436 /nfs/dbraw/zinc/24/74/36/212247436.db2.gz POGGTIJQOKVFLI-GDNBJRDFSA-N 0 0 397.418 5.640 50 10 GKCARN Cc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccs2)c1 ZINC000245295491 209217598 /nfs/dbraw/zinc/21/75/98/209217598.db2.gz GITRTGHISPWZEN-UWJYYQICSA-N 0 0 396.899 5.658 50 10 GKCARN Cc1ccsc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cc(C)ccc3O)=NN21 ZINC000010215275 212238130 /nfs/dbraw/zinc/23/81/30/212238130.db2.gz KLYHIKCGXQHADQ-PGRDOPGGSA-N 0 0 376.481 5.313 50 10 GKCARN CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=S ZINC000001415988 212243271 /nfs/dbraw/zinc/24/32/71/212243271.db2.gz IQDRAFCHJMNCAE-BOPFTXTBSA-N 0 0 389.929 5.140 50 10 GKCARN CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000001416597 212243050 /nfs/dbraw/zinc/24/30/50/212243050.db2.gz MAKXKMLHBLYYGT-CXUHLZMHSA-N 0 0 393.892 5.284 50 10 GKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2ncc(-c3ccc(C)cc3)cn2n1 ZINC000001386197 212240956 /nfs/dbraw/zinc/24/09/56/212240956.db2.gz RCCNLXQYSHUNKG-UHFFFAOYSA-N 0 0 384.508 5.841 50 10 GKCARN CCOc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 ZINC000001227674 212231188 /nfs/dbraw/zinc/23/11/88/212231188.db2.gz KSDZCOCZXGRXCK-WJDWOHSUSA-N 0 0 375.902 5.145 50 10 GKCARN O=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1C1CCCCC1 ZINC000001177845 212226143 /nfs/dbraw/zinc/22/61/43/212226143.db2.gz KSNGESLVABHGDP-LDADJPATSA-N 0 0 387.501 5.620 50 10 GKCARN Cc1cc(/C=C2/SC(=S)N(C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000001150055 212223439 /nfs/dbraw/zinc/22/34/39/212223439.db2.gz KFMJBYBBAQHUNU-VIZOYTHASA-N 0 0 397.352 5.232 50 10 GKCARN COc1cccc(NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)c2C)c1 ZINC000001046819 212209614 /nfs/dbraw/zinc/20/96/14/212209614.db2.gz JHUOCBRWKJQWPI-UHFFFAOYSA-N 0 0 382.463 5.714 50 10 GKCARN Cc1cccc(OCC(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc32)c1 ZINC000000943243 212196748 /nfs/dbraw/zinc/19/67/48/212196748.db2.gz DJKUTRLDKFXAES-SANMLTNESA-N 0 0 397.474 5.138 50 10 GKCARN CC(=O)N(CC[C@H](Cc1ccccc1)c1ccco1)Cc1ccc(N(C)C)cc1 ZINC000001147568 212144721 /nfs/dbraw/zinc/14/47/21/212144721.db2.gz ILBFGINOSPXRGH-HSZRJFAPSA-N 0 0 390.527 5.111 50 10 biogenic GKCARN COc1ccc2c(c1)S[C@@H](c1ccccc1F)CCN2Cc1ccccc1O ZINC000299759349 212033883 /nfs/dbraw/zinc/03/38/83/212033883.db2.gz GKBRQNQYQFVSLT-JOCHJYFZSA-N 0 0 395.499 5.784 50 10 GKCARN CCN(CC)c1ccc([C@@H]2C=Cc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000002944590 203976577 /nfs/dbraw/zinc/97/65/77/203976577.db2.gz ALGHVLAVVQIQEQ-VWLOTQADSA-N 0 0 382.507 5.948 50 10 GKCARN COc1cc(Br)cc(CNc2ccc(C3CCCCC3)cc2)c1O ZINC000002544796 203949324 /nfs/dbraw/zinc/94/93/24/203949324.db2.gz PSWPQJDZLHZLPF-UHFFFAOYSA-N 0 0 390.321 5.823 50 10 GKCARN CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 ZINC000004321339 204037541 /nfs/dbraw/zinc/03/75/41/204037541.db2.gz QZEVZHPZXRMEDG-KRKXHZOKSA-N 0 0 385.482 5.923 50 10 GKCARN CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000003769332 204019810 /nfs/dbraw/zinc/01/98/10/204019810.db2.gz QBOBAIFBUATQLS-UOEVCUDDSA-N 0 0 397.565 5.887 50 10 GKCARN Fc1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004168312 204030722 /nfs/dbraw/zinc/03/07/22/204030722.db2.gz KDVZVOLEWSBLRS-HWBMXIPRSA-N 0 0 387.523 6.945 50 10 GKCARN Oc1ccc([C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)cc1O ZINC000004180780 204031350 /nfs/dbraw/zinc/03/13/50/204031350.db2.gz AFBZIMUCEJUHRT-RUZDIDTESA-N 0 0 395.458 5.531 50 10 GKCARN CC(=O)c1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3)C=C2c2ccccc2)cc1 ZINC000004739592 204072577 /nfs/dbraw/zinc/07/25/77/204072577.db2.gz VQOYCXNDXVWFIK-RCCKNPSSSA-N 0 0 399.877 6.014 50 10 GKCARN O=c1c2ccccc2nc(/C=C/c2c[nH]c3ccccc23)n1Cc1ccccc1 ZINC000004821882 204079956 /nfs/dbraw/zinc/07/99/56/204079956.db2.gz PCSYKZWCMFGCNU-CCEZHUSRSA-N 0 0 377.447 5.097 50 10 GKCARN COc1ccc(N2C(=O)/C(=C\c3cccc(C(F)(F)F)c3)SC2=S)cc1 ZINC000004838767 204080586 /nfs/dbraw/zinc/08/05/86/204080586.db2.gz BNELFRJNZJTKTI-XNTDXEJSSA-N 0 0 395.427 5.120 50 10 GKCARN Oc1ccc(Br)c2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 ZINC000004844802 204081756 /nfs/dbraw/zinc/08/17/56/204081756.db2.gz PCMJPORDPBGSHV-OGHNNQOOSA-N 0 0 376.681 5.635 50 10 GKCARN CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000004844837 204082358 /nfs/dbraw/zinc/08/23/58/204082358.db2.gz UWUHWCGACIAOIT-DXIQSLLYSA-N 0 0 392.455 5.234 50 10 GKCARN O=C(/C=C/c1ccccc1)Oc1ccc2ccccc2c1/N=N/c1ccccn1 ZINC000004622152 204058838 /nfs/dbraw/zinc/05/88/38/204058838.db2.gz DFRCNRPLFVBQMF-OMFAJJFKSA-N 0 0 379.419 6.269 50 10 GKCARN FC(F)(F)c1ccccc1[C@@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@@H]21 ZINC000004661119 204060556 /nfs/dbraw/zinc/06/05/56/204060556.db2.gz ZXYAQJUUELYZIL-NVGCLXPQSA-N 0 0 394.234 6.294 50 10 GKCARN CCOc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3cccnc3c2O)cc1 ZINC000005102202 204111341 /nfs/dbraw/zinc/11/13/41/204111341.db2.gz KELBRRFGLICPTL-JOCHJYFZSA-N 0 0 385.467 5.244 50 10 GKCARN CSc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000005171735 204116831 /nfs/dbraw/zinc/11/68/31/204116831.db2.gz MVROFRSQWPMWKR-DHDCSXOGSA-N 0 0 377.943 5.468 50 10 GKCARN O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000005214075 204119448 /nfs/dbraw/zinc/11/94/48/204119448.db2.gz FFZDNJBAYZCUEG-ZSOIEALJSA-N 0 0 399.846 5.765 50 10 GKCARN Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1-c1ccccc1F ZINC000005267883 204123446 /nfs/dbraw/zinc/12/34/46/204123446.db2.gz ZPEICCMPMKHTNV-UHFFFAOYSA-N 0 0 379.460 5.085 50 10 GKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(Br)cc1 ZINC000005005668 204102651 /nfs/dbraw/zinc/10/26/51/204102651.db2.gz WKZRWRJYLOKQDA-GHVJWSGMSA-N 0 0 380.245 6.117 50 10 GKCARN CCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000005050644 204107378 /nfs/dbraw/zinc/10/73/78/204107378.db2.gz SSRHSTCWIWZUDH-RIYZIHGNSA-N 0 0 384.309 5.475 50 10 GKCARN O=C(NC1CCCCC1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1O ZINC000005898831 204156193 /nfs/dbraw/zinc/15/61/93/204156193.db2.gz DVJYXRBGAMZPIU-FQEVSTJZSA-N 0 0 397.906 5.239 50 10 GKCARN Cc1ccccc1/N=N/c1ccc(NC(=O)COc2ccc(Cl)cc2)c(C)c1 ZINC000005549004 204138840 /nfs/dbraw/zinc/13/88/40/204138840.db2.gz DDCFOJKWVPCLAP-OCEACIFDSA-N 0 0 393.874 6.390 50 10 GKCARN O=[N+]([O-])c1cc(Cl)cc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@H]21 ZINC000006667971 204190185 /nfs/dbraw/zinc/19/01/85/204190185.db2.gz XSBOMXKPOOWHDO-NVGCLXPQSA-N 0 0 395.673 6.382 50 10 GKCARN O=[N+]([O-])c1cc(Cl)cc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@H]21 ZINC000006667970 204190713 /nfs/dbraw/zinc/19/07/13/204190713.db2.gz XSBOMXKPOOWHDO-XWCIJXRUSA-N 0 0 395.673 6.382 50 10 GKCARN Cc1ccccc1NCc1cc2c(C)c(Cc3ccccc3)c(=O)oc2c(C)c1O ZINC000006672155 204191505 /nfs/dbraw/zinc/19/15/05/204191505.db2.gz AAMICNZBRWKXND-UHFFFAOYSA-N 0 0 399.490 5.627 50 10 GKCARN Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccsc1 ZINC000006721651 204194458 /nfs/dbraw/zinc/19/44/58/204194458.db2.gz OBGGTHZXSLXUPC-PXNSSMCTSA-N 0 0 382.872 5.349 50 10 GKCARN COC(=O)c1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000006950440 204227505 /nfs/dbraw/zinc/22/75/05/204227505.db2.gz CHEWPGNTSNCUDF-FBLLAGFSSA-N 0 0 381.475 5.967 50 10 GKCARN CCOc1ccccc1NC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000009228756 204303067 /nfs/dbraw/zinc/30/30/67/204303067.db2.gz XVVYZLNSUXMZFH-UHFFFAOYSA-N 0 0 377.488 5.123 50 10 GKCARN Cc1cc(CNC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(Cl)c1 ZINC000009228790 204303745 /nfs/dbraw/zinc/30/37/45/204303745.db2.gz STXSMVMSHQJZHJ-UHFFFAOYSA-N 0 0 381.907 5.686 50 10 GKCARN [O-]c1ccc(-c2ncccn2)cc1C[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000011870262 204359231 /nfs/dbraw/zinc/35/92/31/204359231.db2.gz DQHPWXQQKOGZEZ-UHFFFAOYSA-N 0 0 395.506 5.161 50 10 GKCARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000012413446 204406518 /nfs/dbraw/zinc/40/65/18/204406518.db2.gz IEZZKBRYPGJHEX-JWGURIENSA-N 0 0 383.447 5.107 50 10 GKCARN CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C(C)C)c(OC)cc1C ZINC000012468434 204413813 /nfs/dbraw/zinc/41/38/13/204413813.db2.gz SBTXNBHQOVASQA-QNGOZBTKSA-N 0 0 376.500 5.713 50 10 GKCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000012517338 204417227 /nfs/dbraw/zinc/41/72/27/204417227.db2.gz ZWODGFFKXQKNCV-UHFFFAOYSA-N 0 0 389.543 5.140 50 10 GKCARN CN1c2ccccc2C(C)(C)/C1=C\c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000012640595 204434455 /nfs/dbraw/zinc/43/44/55/204434455.db2.gz KTZDPFHMUPGVEP-PTGBLXJZSA-N 0 0 391.518 6.512 50 10 GKCARN O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1cc(Cl)cc(Cl)c1 ZINC000013647418 204500119 /nfs/dbraw/zinc/50/01/19/204500119.db2.gz QJZJUYKHGGXAIM-RZNTYIFUSA-N 0 0 384.284 5.538 50 10 GKCARN 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CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2)SC1=S ZINC000002958319 206449893 /nfs/dbraw/zinc/44/98/93/206449893.db2.gz MZTJXUOGGFBWGV-BOPFTXTBSA-N 0 0 389.929 5.140 50 10 GKCARN Fc1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000003644757 206491370 /nfs/dbraw/zinc/49/13/70/206491370.db2.gz KDVZVOLEWSBLRS-FBLLAGFSSA-N 0 0 387.523 6.945 50 10 GKCARN Cc1ccccc1/N=N/c1c(N)n(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000004187005 206506840 /nfs/dbraw/zinc/50/68/40/206506840.db2.gz WXQDESKHRDSESQ-OCEACIFDSA-N 0 0 387.874 6.499 50 10 GKCARN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1sc2ccccc2c1Cl ZINC000004299703 206512754 /nfs/dbraw/zinc/51/27/54/206512754.db2.gz HPXSDRBBPIAYPH-UHFFFAOYSA-N 0 0 386.948 5.672 50 10 GKCARN CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000004409816 206520326 /nfs/dbraw/zinc/52/03/26/206520326.db2.gz OGNWNODEOFEKSY-PJSUUKDQSA-N 0 0 388.294 5.997 50 10 GKCARN CC(=C\c1ccco1)/C=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000004819173 206557719 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O=C(c1ccc(Cl)cc1Cl)N(Cc1ccco1)Cc1ccccc1O ZINC000071797596 211062193 /nfs/dbraw/zinc/06/21/93/211062193.db2.gz NLCSAGUULONZMJ-UHFFFAOYSA-N 0 0 376.239 5.135 50 10 GKCARN O=C1/C(=C/c2cccnc2)SC(=S)N1c1ccc(Oc2ccccc2)cc1 ZINC000007738021 206721780 /nfs/dbraw/zinc/72/17/80/206721780.db2.gz QOCODOHOXLZSIV-UYRXBGFRSA-N 0 0 390.489 5.280 50 10 GKCARN CC(C)(C)c1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC000066091788 211000640 /nfs/dbraw/zinc/00/06/40/211000640.db2.gz RJKQRXDJYPQPRC-UHFFFAOYSA-N 0 0 383.447 5.012 50 10 GKCARN COc1ccc(C)cc1NC(=O)NCc1cc(C)n(-c2ccc(C)cc2)c1C ZINC000009228563 206779753 /nfs/dbraw/zinc/77/97/53/206779753.db2.gz ZXYHDYMZGSESFH-UHFFFAOYSA-N 0 0 377.488 5.041 50 10 GKCARN [O-]c1ccc(-c2nc3ccccc3s2)cc1C[NH2+]CCc1cccc(Cl)c1 ZINC000014887389 207031760 /nfs/dbraw/zinc/03/17/60/207031760.db2.gz CUTCPVMBUJRIAH-UHFFFAOYSA-N 0 0 394.927 5.655 50 10 GKCARN Oc1ccc(Br)c2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 ZINC000016192485 207074622 /nfs/dbraw/zinc/07/46/22/207074622.db2.gz 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O=C(NC1CCCC1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000020489528 207197767 /nfs/dbraw/zinc/19/77/67/207197767.db2.gz GBMVCQYWQSYQCI-UHFFFAOYSA-N 0 0 398.550 6.086 50 10 GKCARN CCOC(=O)c1ccc(-n2c(-c3cccc(OC)c3)cc3c2CCCCC3)cc1 ZINC000021163588 207227613 /nfs/dbraw/zinc/22/76/13/207227613.db2.gz XDWBUOFBXPDBQY-UHFFFAOYSA-N 0 0 389.495 5.599 50 10 GKCARN O=C1/C(=C\C=C\c2ccco2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000027533661 210515119 /nfs/dbraw/zinc/51/51/19/210515119.db2.gz AVPQLOMHHAJCAQ-BOAPOFAJSA-N 0 0 381.400 5.260 50 10 GKCARN Cc1ccc(C)c(NC2=NC(=O)C(=Cc3csc(-c4ccco4)n3)S2)c1 ZINC000096401870 208316162 /nfs/dbraw/zinc/31/61/62/208316162.db2.gz YIRCFPQUMAHWEO-CXUHLZMHSA-N 0 0 381.482 5.102 50 10 GKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000100232805 208374197 /nfs/dbraw/zinc/37/41/97/208374197.db2.gz GPTGQLPEELDHEI-CPNJWEJPSA-N 0 0 394.883 5.890 50 10 GKCARN Cc1ccc(C2=N[C@@H](c3c(F)cccc3Cl)N[C@H](c3ccccc3O)C2)cc1 ZINC000020765177 210361359 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