smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Cc1nc2ccc(Cl)cc2nc1CC(=O)c1ccccc1)c1ccccc1 ZINC000000623120 557020110 /nfs/dbraw/zinc/02/01/10/557020110.db2.gz HTMKHJQJKURTOW-UHFFFAOYSA-N 0 0 400.865 5.134 50 10 HKCARN COc1ccc(C)cc1NC(=O)CSc1ccc(NCc2ccccc2O)cc1 ZINC000000624558 557021248 /nfs/dbraw/zinc/02/12/48/557021248.db2.gz VAWSQMBJFZGNAR-UHFFFAOYSA-N 0 0 408.523 5.052 50 10 HKCARN COc1ccccc1NC[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000626485 557022766 /nfs/dbraw/zinc/02/27/66/557022766.db2.gz IYASSKGRGYLLQJ-INIZCTEOSA-N 0 0 415.320 5.583 50 10 HKCARN COc1ccccc1NC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000626486 557022688 /nfs/dbraw/zinc/02/26/88/557022688.db2.gz IYASSKGRGYLLQJ-MRXNPFEDSA-N 0 0 415.320 5.583 50 10 HKCARN COc1ccc(N2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)cc1 ZINC000000627859 536684124 /nfs/dbraw/zinc/68/41/24/536684124.db2.gz JRLBVQXUJAROLI-UHFFFAOYSA-N 0 0 417.534 5.240 50 10 HKCARN Cc1cc(C(=O)CSc2nnc3sc4ccccc4n23)c(C)n1-c1ccccc1 ZINC000000628526 557024339 /nfs/dbraw/zinc/02/43/39/557024339.db2.gz DULCIWYXQWPJPW-UHFFFAOYSA-N 0 0 418.547 5.327 50 10 HKCARN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000000631853 557027077 /nfs/dbraw/zinc/02/70/77/557027077.db2.gz TZPSYOPGIAPSAG-RAXLEYEMSA-N 0 0 406.240 5.010 50 10 HKCARN CC1CC[NH+](Cc2c([O-])ccc3cc(-c4nc5ccccc5s4)c(=O)oc32)CC1 ZINC000000634562 568456502 /nfs/dbraw/zinc/45/65/02/568456502.db2.gz WKMNOOGFBWXMIY-UHFFFAOYSA-N 0 0 406.507 5.007 50 10 biogenic HKCARN O=c1oc2c(ccc([O-])c2C[NH+]2CCCCCC2)cc1-c1nc2ccccc2s1 ZINC000000635382 568456517 /nfs/dbraw/zinc/45/65/17/568456517.db2.gz XNKWANOGEXWNFF-UHFFFAOYSA-N 0 0 406.507 5.151 50 10 HKCARN COc1cccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000000639521 557031426 /nfs/dbraw/zinc/03/14/26/557031426.db2.gz BOKUEZDPRWVPMX-VEVIJQCQSA-N 0 0 404.279 5.432 50 10 aggregator HKCARN CCOC(=O)c1sc2nc(-c3cccs3)cc(-c3ccc(OC)cc3)c2c1N ZINC000000642921 557033448 /nfs/dbraw/zinc/03/34/48/557033448.db2.gz VHAQQCHNQYKATD-UHFFFAOYSA-N 0 0 410.520 5.459 50 10 HKCARN Cn1c(-c2ccccc2)cnc1SCC(=O)n1c2c(c3c1CCCC3)CCCC2 ZINC000000643392 557033714 /nfs/dbraw/zinc/03/37/14/557033714.db2.gz LDWJIWXLHWIVKM-UHFFFAOYSA-N 0 0 405.567 5.079 50 10 HKCARN CC(C)c1ccc(S(=O)(=O)Nc2cc(Br)c(O)c3ccccc23)cc1 ZINC000000645597 557035281 /nfs/dbraw/zinc/03/52/81/557035281.db2.gz TUXDVSTYKGXLKB-UHFFFAOYSA-N 0 0 420.328 5.232 50 10 HKCARN Cc1ccc(Sc2cc(NS(=O)(=O)c3ccccc3)c3ccccc3c2O)cc1 ZINC000000645675 557035195 /nfs/dbraw/zinc/03/51/95/557035195.db2.gz HSGUQPDMBOLILV-UHFFFAOYSA-N 0 0 421.543 5.806 50 10 HKCARN CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000000646149 569030414 /nfs/dbraw/zinc/03/04/14/569030414.db2.gz SSWHUEHHYRFWSO-JLHGSKIFSA-N 0 0 415.364 6.302 50 10 HKCARN C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000000646150 557035884 /nfs/dbraw/zinc/03/58/84/557035884.db2.gz DQXWFOCJQYKYMF-SULFGKICSA-N 0 0 406.957 6.181 50 10 HKCARN COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000000653932 557040204 /nfs/dbraw/zinc/04/02/04/557040204.db2.gz SGKCGBYXHQKVBI-PXLXIMEGSA-N 0 0 402.881 5.492 50 10 HKCARN Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1 ZINC000000653941 568459767 /nfs/dbraw/zinc/45/97/67/568459767.db2.gz BFPNPUOQODBWAM-RQTOMXEWSA-N 0 0 416.546 5.622 50 10 HKCARN CCc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)s1 ZINC000000654092 132230103 /nfs/dbraw/zinc/23/01/03/132230103.db2.gz JHONNOOUDIFFAY-UHFFFAOYSA-N 0 0 418.543 5.059 50 10 HKCARN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000000656941 557041643 /nfs/dbraw/zinc/04/16/43/557041643.db2.gz LYPPBXYTSZOSCM-KQWNVCNZSA-N 0 0 419.521 5.476 50 10 HKCARN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000000657291 557041731 /nfs/dbraw/zinc/04/17/31/557041731.db2.gz YLKQGRIBGHJRND-ZROIWOOFSA-N 0 0 406.240 5.010 50 10 HKCARN CC(C)OC(=O)c1sc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2c1N ZINC000000658553 557042274 /nfs/dbraw/zinc/04/22/74/557042274.db2.gz JJPHUTPXQWJCPA-UHFFFAOYSA-N 0 0 412.511 5.978 50 10 HKCARN COc1cc(-c2ccc(-n3c(C)ccc3C)c(OC)c2)ccc1-n1c(C)ccc1C ZINC000000659176 557042247 /nfs/dbraw/zinc/04/22/47/557042247.db2.gz QLQUAWHVTYXHGT-UHFFFAOYSA-N 0 0 400.522 6.186 50 10 HKCARN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccccc1Cl ZINC000000660199 557042901 /nfs/dbraw/zinc/04/29/01/557042901.db2.gz MCZIRAPKFFDBQQ-RGEXLXHISA-N 0 0 411.885 5.006 50 10 HKCARN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(F)cc1 ZINC000000665072 557045042 /nfs/dbraw/zinc/04/50/42/557045042.db2.gz UMGIUYWHPCECDW-HYARGMPZSA-N 0 0 416.452 5.219 50 10 HKCARN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCCc1ccccc1 ZINC000000666978 557045962 /nfs/dbraw/zinc/04/59/62/557045962.db2.gz ZXURRZCKJFZHBV-QJOMJCCJSA-N 0 0 412.489 5.123 50 10 HKCARN CCOc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc(Cl)c1OC ZINC000000670521 557048443 /nfs/dbraw/zinc/04/84/43/557048443.db2.gz GPAUANCOFKYOBM-CXUHLZMHSA-N 0 0 405.281 5.207 50 10 HKCARN Cc1ccc(C)n1-c1ccc(S(=O)(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 ZINC000000677089 557053462 /nfs/dbraw/zinc/05/34/62/557053462.db2.gz VGHWHOBOZFXCJT-UHFFFAOYSA-N 0 0 404.535 5.334 50 10 HKCARN CCOc1cc(CNc2ccc(O)cc2)cc(Cl)c1OCc1ccccc1F ZINC000000679201 557054999 /nfs/dbraw/zinc/05/49/99/557054999.db2.gz JXFLWDHNPACFED-UHFFFAOYSA-N 0 0 401.865 5.775 50 10 HKCARN CC1=NN(c2ccc(C(=O)OC(C)C)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2)o1 ZINC000000680671 557055664 /nfs/dbraw/zinc/05/56/64/557055664.db2.gz XFLFVJYURQABLE-JCMHNJIXSA-N 0 0 414.461 5.318 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(C)cc2Br)o1 ZINC000000680913 557055717 /nfs/dbraw/zinc/05/57/17/557055717.db2.gz LSMSFMPNVDHIKC-CPNJWEJPSA-N 0 0 421.294 5.824 50 10 HKCARN Cc1cccc(N[C@H](c2ccc3ccc(C)nc3c2O)c2ccccc2[N+](=O)[O-])n1 ZINC000000684022 557057699 /nfs/dbraw/zinc/05/76/99/557057699.db2.gz HCXGCAWPVBLUSN-QFIPXVFZSA-N 0 0 400.438 5.062 50 10 HKCARN Cc1cc(C(=O)CSc2ncnc3sc4c(c32)CCC4)c(C)n1-c1ccccc1 ZINC000000703404 557062697 /nfs/dbraw/zinc/06/26/97/557062697.db2.gz BOKXIAHAEKGQSS-UHFFFAOYSA-N 0 0 419.575 5.563 50 10 HKCARN O=C(Nc1ccc(Cl)cc1)c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@@H]21 ZINC000000706008 568463437 /nfs/dbraw/zinc/46/34/37/568463437.db2.gz GABJEMYOCSTNBS-LPTDTENNSA-N 0 0 402.925 5.745 50 10 HKCARN O=C1c2sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2C(=O)c2ccccc21 ZINC000000708418 568463929 /nfs/dbraw/zinc/46/39/29/568463929.db2.gz AVBRUKSEHDTGQL-UHFFFAOYSA-N 0 0 406.466 5.505 50 10 HKCARN S=C(NN=c1nc(-c2ccccc2)c2cc(Cl)ccc2[nH]1)Nc1ccccc1 ZINC000000710139 568465214 /nfs/dbraw/zinc/46/52/14/568465214.db2.gz VVQUAVUBFPYCLH-UHFFFAOYSA-N 0 0 405.914 5.264 50 10 HKCARN Cc1cc(C(=O)CN2CCC(C)CC2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000000710211 557065752 /nfs/dbraw/zinc/06/57/52/557065752.db2.gz WQQYNMWVLPWGKY-UHFFFAOYSA-N 0 0 412.883 5.681 50 10 HKCARN O=C(Nc1ccc(Br)cc1)c1ccc2c3c1noc3-c1ccccc1C2=O ZINC000000710989 557066522 /nfs/dbraw/zinc/06/65/22/557066522.db2.gz RXRLRKSFQIKMPK-UHFFFAOYSA-N 0 0 419.234 5.054 50 10 HKCARN CCOC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccc(OC)cc3)c2c1N ZINC000000712191 557066803 /nfs/dbraw/zinc/06/68/03/557066803.db2.gz OHUZQZFTMGBBOY-UHFFFAOYSA-N 0 0 404.491 5.398 50 10 HKCARN CCOC(=O)c1sc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2c1N ZINC000000714294 557067341 /nfs/dbraw/zinc/06/73/41/557067341.db2.gz MPWUIKBEKGEOFZ-UHFFFAOYSA-N 0 0 414.939 6.104 50 10 HKCARN CCOc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000000721734 557070995 /nfs/dbraw/zinc/07/09/95/557070995.db2.gz JDKXRPSDECBQLG-UHFFFAOYSA-N 0 0 405.560 5.187 50 10 HKCARN CN(C)c1ccc(-c2nc3cc(NC(=O)c4cc5ccccc5o4)ccc3s2)cc1 ZINC000000722660 557071416 /nfs/dbraw/zinc/07/14/16/557071416.db2.gz IHBMNQVQOPCIBG-UHFFFAOYSA-N 0 0 413.502 6.028 50 10 HKCARN COc1ccccc1NC(=O)c1c2c(sc1NCc1ccc(C)o1)CCCCC2 ZINC000000729099 557074156 /nfs/dbraw/zinc/07/41/56/557074156.db2.gz NKVJTHZKSFHVOJ-UHFFFAOYSA-N 0 0 410.539 5.791 50 10 HKCARN CCOc1ccccc1NC(=O)c1c2c(sc1NCc1ccc(C)o1)CCCC2 ZINC000000729119 568469080 /nfs/dbraw/zinc/46/90/80/568469080.db2.gz AMQZDIDPLZCCSL-UHFFFAOYSA-N 0 0 410.539 5.791 50 10 HKCARN COc1ccc(NC(=O)c2c(NCc3cccs3)sc3c2CCC3)c(OC)c1 ZINC000000729131 557074127 /nfs/dbraw/zinc/07/41/27/557074127.db2.gz DJABWFAHGUUFQO-UHFFFAOYSA-N 0 0 414.552 5.180 50 10 HKCARN COc1cccc(CNc2sc3c(c2C(=O)Nc2ccccc2OC)CCC3)c1 ZINC000000729132 557074444 /nfs/dbraw/zinc/07/44/44/557074444.db2.gz QOUPAPDVXMWPSX-UHFFFAOYSA-N 0 0 408.523 5.118 50 10 HKCARN CC1(C)Cc2c(cc(-c3ccc(Br)cc3)n2-c2ccccc2F)C(=O)C1 ZINC000000751809 557075274 /nfs/dbraw/zinc/07/52/74/557075274.db2.gz UZUQXEOMOBKQLG-UHFFFAOYSA-N 0 0 412.302 6.201 50 10 HKCARN CC1(C)Cc2c(cc(-c3ccc(Br)cc3)n2-c2ccc(F)cc2)C(=O)C1 ZINC000000751822 557075204 /nfs/dbraw/zinc/07/52/04/557075204.db2.gz WKEAGAQQWLURLF-UHFFFAOYSA-N 0 0 412.302 6.201 50 10 biogenic HKCARN Cc1ccc(Nc2cc(Br)c3ncnc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000000752209 557075570 /nfs/dbraw/zinc/07/55/70/557075570.db2.gz WFCKULAEWWPDHK-UHFFFAOYSA-N 0 0 416.278 5.656 50 10 HKCARN COc1ccccc1-n1c(-c2ccc(Br)cc2)cc2c1CC(C)(C)CC2=O ZINC000000752976 557075974 /nfs/dbraw/zinc/07/59/74/557075974.db2.gz XPNWTMFHRKDGLM-UHFFFAOYSA-N 0 0 424.338 6.071 50 10 HKCARN O=C1c2ccccc2-c2ncnc3c(Br)cc(NC4CCCCC4)c1c32 ZINC000000753971 557076310 /nfs/dbraw/zinc/07/63/10/557076310.db2.gz RHGBOLSOUMFFPD-UHFFFAOYSA-N 0 0 408.299 5.348 50 10 HKCARN Nc1c(C(=O)OCc2ccccc2)sc2nc3c(c(-c4cccs4)c12)CCCC3 ZINC000000756761 568472380 /nfs/dbraw/zinc/47/23/80/568472380.db2.gz RBOHCPYXAKSKMT-UHFFFAOYSA-N 0 0 420.559 5.843 50 10 HKCARN COC(=O)c1sc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2c1N ZINC000000756924 568472566 /nfs/dbraw/zinc/47/25/66/568472566.db2.gz VPMMXOOOGUJPHQ-UHFFFAOYSA-N 0 0 400.912 5.714 50 10 HKCARN CCc1ccc(S(=O)(=O)Nc2ccc(O)c(-c3c(O)ccc4ccccc43)c2)cc1 ZINC000000781553 568474949 /nfs/dbraw/zinc/47/49/49/568474949.db2.gz TUKGQHYMGHPXPZ-UHFFFAOYSA-N 0 0 419.502 5.281 50 10 HKCARN Cc1ccc(S(=O)(=O)Nc2ccc(O)c(-c3c(O)ccc4ccccc43)c2)cc1 ZINC000000781554 568475053 /nfs/dbraw/zinc/47/50/53/568475053.db2.gz LSZNNKFDPOPYBA-UHFFFAOYSA-N 0 0 405.475 5.027 50 10 HKCARN COc1ccc(NC(=O)c2c3c(sc2NCc2cccnc2)C[C@@H](C)CC3)cc1 ZINC000000795744 557083032 /nfs/dbraw/zinc/08/30/32/557083032.db2.gz PRCAPKYBQBBSCS-HNNXBMFYSA-N 0 0 407.539 5.141 50 10 HKCARN COc1ccc(NC(=O)c2c3c(sc2NCc2cccnc2)C[C@H](C)CC3)cc1 ZINC000000795745 557083118 /nfs/dbraw/zinc/08/31/18/557083118.db2.gz PRCAPKYBQBBSCS-OAHLLOKOSA-N 0 0 407.539 5.141 50 10 HKCARN COc1ccc(OC)c(NC(=O)c2c(NCc3cccs3)sc3c2CCC3)c1 ZINC000000798208 557083567 /nfs/dbraw/zinc/08/35/67/557083567.db2.gz ZIXPKKAKGGBXLY-UHFFFAOYSA-N 0 0 414.552 5.180 50 10 HKCARN COc1ccccc1NC(=O)c1c2c(sc1NCc1ccccn1)C[C@@H](C)CC2 ZINC000000798224 568482982 /nfs/dbraw/zinc/48/29/82/568482982.db2.gz UWTAJMOKQWXUCP-HNNXBMFYSA-N 0 0 407.539 5.141 50 10 HKCARN COc1ccccc1NC(=O)c1c2c(sc1NCc1ccccn1)C[C@H](C)CC2 ZINC000000798225 568482948 /nfs/dbraw/zinc/48/29/48/568482948.db2.gz UWTAJMOKQWXUCP-OAHLLOKOSA-N 0 0 407.539 5.141 50 10 HKCARN O=C(CCc1ccccc1)N[C@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O ZINC000000801025 557084986 /nfs/dbraw/zinc/08/49/86/557084986.db2.gz YBGYATYBQKVXTK-HSZRJFAPSA-N 0 0 416.908 5.432 50 10 HKCARN CC(C)CC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O ZINC000000801026 557084921 /nfs/dbraw/zinc/08/49/21/557084921.db2.gz RYNCRISZMOBICO-FQEVSTJZSA-N 0 0 403.309 5.499 50 10 HKCARN CC(C)CC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O ZINC000000801027 557084944 /nfs/dbraw/zinc/08/49/44/557084944.db2.gz RYNCRISZMOBICO-HXUWFJFHSA-N 0 0 403.309 5.499 50 10 HKCARN COc1ccc([C@H](NC(=O)CCc2ccccc2)c2c(O)ccc3ccccc32)cc1 ZINC000000801049 557084962 /nfs/dbraw/zinc/08/49/62/557084962.db2.gz LWUJPESXUWWCNS-MHZLTWQESA-N 0 0 411.501 5.392 50 10 HKCARN COc1ccc([C@@H](NC(=O)CCc2ccccc2)c2c(O)ccc3ccccc32)cc1 ZINC000000801050 557084893 /nfs/dbraw/zinc/08/48/93/557084893.db2.gz LWUJPESXUWWCNS-HHHXNRCGSA-N 0 0 411.501 5.392 50 10 HKCARN O=C(CCc1ccccc1)N[C@@H](c1cccs1)c1cc(Cl)c2cccnc2c1O ZINC000000801102 568484745 /nfs/dbraw/zinc/48/47/45/568484745.db2.gz SRLJNSQTNHJWPA-OAQYLSRUSA-N 0 0 422.937 5.494 50 10 HKCARN O=C(CCc1ccccc1)N[C@H](c1cccs1)c1cc(Cl)c2cccnc2c1O ZINC000000801103 568484807 /nfs/dbraw/zinc/48/48/07/568484807.db2.gz SRLJNSQTNHJWPA-NRFANRHFSA-N 0 0 422.937 5.494 50 10 HKCARN Nc1ccc(Oc2ccc3nc(-c4ccccc4)c(-c4ccc(N)cc4)nc3c2)cc1 ZINC000000826728 559281542 /nfs/dbraw/zinc/28/15/42/559281542.db2.gz AYQQHWASUHCHIA-UHFFFAOYSA-N 0 0 404.473 5.921 50 10 HKCARN Oc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1O ZINC000000827348 568499637 /nfs/dbraw/zinc/49/96/37/568499637.db2.gz PZFBDXULFKEJNB-UHFFFAOYSA-N 0 0 420.468 6.614 50 10 HKCARN O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Cl)cc4c3N2C[C@@H]2CC=C[C@H]42)c1 ZINC000000830278 568503915 /nfs/dbraw/zinc/50/39/15/568503915.db2.gz WQAFVILMELQOJK-REJRFELZSA-N 0 0 404.897 6.143 50 10 HKCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000834268 557095798 /nfs/dbraw/zinc/09/57/98/557095798.db2.gz JJXIWAXFVWSYMY-FYJGNVAPSA-N 0 0 401.422 5.278 50 10 HKCARN O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000000844617 557098614 /nfs/dbraw/zinc/09/86/14/557098614.db2.gz IASYTKQGFQJPHK-DAYGRLMNSA-N 0 0 418.234 5.026 50 10 HKCARN Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2ccc(N)cc2)n1 ZINC000000853351 557101929 /nfs/dbraw/zinc/10/19/29/557101929.db2.gz ZFWPFTOBNSUPQK-UHFFFAOYSA-N 0 0 407.524 5.153 50 10 HKCARN O=C(Cc1ccccc1)N[C@@H](c1ccccc1Cl)c1ccc2cccnc2c1O ZINC000000855591 568712947 /nfs/dbraw/zinc/71/29/47/568712947.db2.gz APNYAIWPQZJKMP-QHCPKHFHSA-N 0 0 402.881 5.042 50 10 HKCARN O=C(Cc1ccccc1)N[C@H](c1ccccc1Cl)c1ccc2cccnc2c1O ZINC000000855592 568712876 /nfs/dbraw/zinc/71/28/76/568712876.db2.gz APNYAIWPQZJKMP-HSZRJFAPSA-N 0 0 402.881 5.042 50 10 HKCARN O=C(Cc1ccccc1)N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O ZINC000000855593 568712902 /nfs/dbraw/zinc/71/29/02/568712902.db2.gz QKUARQZZQSNWOP-QFIPXVFZSA-N 0 0 402.881 5.042 50 10 HKCARN O=C(Cc1ccccc1)N[C@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O ZINC000000855780 568712968 /nfs/dbraw/zinc/71/29/68/568712968.db2.gz QKUARQZZQSNWOP-JOCHJYFZSA-N 0 0 402.881 5.042 50 10 HKCARN CCC(=O)N(CC[C@@]1(c2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 ZINC000000856836 557103117 /nfs/dbraw/zinc/10/31/17/557103117.db2.gz AGYVFTAWGSGZBJ-HHHXNRCGSA-N 0 0 422.613 5.408 50 10 biogenic HKCARN CCC(=O)N(CC[C@]1(c2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 ZINC000000856837 557103154 /nfs/dbraw/zinc/10/31/54/557103154.db2.gz AGYVFTAWGSGZBJ-MHZLTWQESA-N 0 0 422.613 5.408 50 10 biogenic HKCARN COc1ccc(-n2cnc3cc(NCc4ccc(Br)cc4)ccc32)cc1 ZINC000000860979 568714275 /nfs/dbraw/zinc/71/42/75/568714275.db2.gz JFIVTZMAXDALFV-UHFFFAOYSA-N 0 0 408.299 5.409 50 10 HKCARN Cc1ccc(C)c([C@@H](c2ccccc2)C2(Br)C(=O)c3ccccc3C2=O)c1 ZINC000000864652 557105144 /nfs/dbraw/zinc/10/51/44/557105144.db2.gz YKBCIGRGPCWFRE-OAQYLSRUSA-N 0 0 419.318 5.648 50 10 HKCARN Cc1ccc(C)c([C@H](c2ccccc2)C2(Br)C(=O)c3ccccc3C2=O)c1 ZINC000000864653 557105178 /nfs/dbraw/zinc/10/51/78/557105178.db2.gz YKBCIGRGPCWFRE-NRFANRHFSA-N 0 0 419.318 5.648 50 10 HKCARN CCC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1cc(Cl)c2cccnc2c1O ZINC000000869286 568725467 /nfs/dbraw/zinc/72/54/67/568725467.db2.gz CSERSHHRAKBIBN-KRWDZBQOSA-N 0 0 409.700 5.516 50 10 HKCARN CCC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1cc(Cl)c2cccnc2c1O ZINC000000869287 568725569 /nfs/dbraw/zinc/72/55/69/568725569.db2.gz CSERSHHRAKBIBN-QGZVFWFLSA-N 0 0 409.700 5.516 50 10 HKCARN COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000000871835 568730341 /nfs/dbraw/zinc/73/03/41/568730341.db2.gz JOKJMQHCVVMSMH-UVARLRKDSA-N 0 0 400.272 5.013 50 10 HKCARN CC(C)=CCc1c(=O)c2c(O)c(-c3ccc(O)c(O)c3)coc-2c2c1OC(C)(C)C=C2 ZINC000000899897 291286748 /nfs/dbraw/zinc/28/67/48/291286748.db2.gz GHCZYXUOYFOXIP-UHFFFAOYSA-N 0 0 420.461 5.270 50 10 aggregator,biogenic,in-vitro HKCARN COc1ccc(OC)c(NC(=O)c2c3c(sc2NCc2ccc(C)o2)CCC3)c1 ZINC000000920836 557118874 /nfs/dbraw/zinc/11/88/74/557118874.db2.gz FRAWNWJIQOUTQJ-UHFFFAOYSA-N 0 0 412.511 5.020 50 10 HKCARN CCOc1ccccc1NC(=O)c1c(NCc2sccc2C)sc2c1CCC2 ZINC000000920870 568750559 /nfs/dbraw/zinc/75/05/59/568750559.db2.gz BMYAGJCMGWVZSS-UHFFFAOYSA-N 0 0 412.580 5.870 50 10 HKCARN COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NCc1cccnc1)CCC2 ZINC000000920876 558774794 /nfs/dbraw/zinc/77/47/94/558774794.db2.gz FRDKOHJLKOMSLG-UHFFFAOYSA-N 0 0 413.930 5.158 50 10 HKCARN COc1ccc(Cl)cc1NC(=O)c1c(NCc2ccc(C)o2)sc2c1CCC2 ZINC000000920880 557118925 /nfs/dbraw/zinc/11/89/25/557118925.db2.gz ORFURELOPGAJIN-UHFFFAOYSA-N 0 0 416.930 5.665 50 10 HKCARN CCOc1ccccc1NC(=O)c1c2c(sc1NCc1ccccn1)CCCC2 ZINC000000920891 568750587 /nfs/dbraw/zinc/75/05/87/568750587.db2.gz XASZJTVNABIHPU-UHFFFAOYSA-N 0 0 407.539 5.285 50 10 HKCARN CCOc1ccccc1NC(=O)c1c2c(sc1NCc1ccccn1)C[C@@H](C)CC2 ZINC000000920917 568750717 /nfs/dbraw/zinc/75/07/17/568750717.db2.gz OQIHROIKWPNHMI-INIZCTEOSA-N 0 0 421.566 5.531 50 10 HKCARN CCOc1ccccc1NC(=O)c1c2c(sc1NCc1ccccn1)C[C@H](C)CC2 ZINC000000920919 568750736 /nfs/dbraw/zinc/75/07/36/568750736.db2.gz OQIHROIKWPNHMI-MRXNPFEDSA-N 0 0 421.566 5.531 50 10 HKCARN CCOc1ccccc1NC(=O)c1c2c(sc1NCc1cccnc1)C[C@@H](C)CC2 ZINC000000920922 568750712 /nfs/dbraw/zinc/75/07/12/568750712.db2.gz RMIDHPFIGNCEPP-INIZCTEOSA-N 0 0 421.566 5.531 50 10 HKCARN CCOc1ccccc1NC(=O)c1c2c(sc1NCc1cccnc1)C[C@H](C)CC2 ZINC000000920924 568750721 /nfs/dbraw/zinc/75/07/21/568750721.db2.gz RMIDHPFIGNCEPP-MRXNPFEDSA-N 0 0 421.566 5.531 50 10 HKCARN CCOc1ccccc1NC(=O)c1c2c(sc1NCc1ccccn1)CCCCC2 ZINC000000920932 557119191 /nfs/dbraw/zinc/11/91/91/557119191.db2.gz KDMIONNKZSNYGF-UHFFFAOYSA-N 0 0 421.566 5.675 50 10 HKCARN CCOc1ccccc1NC(=O)c1c2c(sc1NCc1cccnc1)CCCCC2 ZINC000000920935 568750734 /nfs/dbraw/zinc/75/07/34/568750734.db2.gz YANPJCGVZQFSRV-UHFFFAOYSA-N 0 0 421.566 5.675 50 10 HKCARN CCOc1ccccc1NC(=O)c1c2c(sc1NCc1ccncc1)CCCCC2 ZINC000000920939 557119153 /nfs/dbraw/zinc/11/91/53/557119153.db2.gz NBVPYQRIYJXACF-UHFFFAOYSA-N 0 0 421.566 5.675 50 10 HKCARN Cc1ccc2ccc([C@H](Nc3cccc(C(F)(F)F)c3)c3cccnc3)c(O)c2n1 ZINC000000940831 568753112 /nfs/dbraw/zinc/75/31/12/568753112.db2.gz SQRMMLZBFZELJU-HXUWFJFHSA-N 0 0 409.411 5.864 50 10 HKCARN Cc1ccc2ccc([C@@H](Nc3cccc(C(F)(F)F)c3)c3cccnc3)c(O)c2n1 ZINC000000940832 568753090 /nfs/dbraw/zinc/75/30/90/568753090.db2.gz SQRMMLZBFZELJU-FQEVSTJZSA-N 0 0 409.411 5.864 50 10 HKCARN O=c1c2ccc([O-])c(C[NH+]3CCCC3)c2oc(C(F)(F)F)c1-c1ccc(Cl)cc1 ZINC000000944812 568754397 /nfs/dbraw/zinc/75/43/97/568754397.db2.gz BJRIMGQBYRRCGW-UHFFFAOYSA-N 0 0 423.818 5.434 50 10 biogenic HKCARN O=c1c2ccc([O-])c(C[NH+]3CCCC3)c2oc(C(F)(F)F)c1-c1ccccc1Cl ZINC000000944817 568754322 /nfs/dbraw/zinc/75/43/22/568754322.db2.gz ISOQWYWWIWRDLV-UHFFFAOYSA-N 0 0 423.818 5.434 50 10 HKCARN O=c1c2ccc([O-])c(C[NH+]3CCCC3)c2oc(C(F)(F)F)c1-c1cccc(Cl)c1 ZINC000000944818 568754420 /nfs/dbraw/zinc/75/44/20/568754420.db2.gz BYKFHSCEKSFEKX-UHFFFAOYSA-N 0 0 423.818 5.434 50 10 HKCARN Cc1cccc(N[C@@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)n1 ZINC000000946891 568754703 /nfs/dbraw/zinc/75/47/03/568754703.db2.gz HUHLXTYKRKEJDP-FQEVSTJZSA-N 0 0 409.411 5.864 50 10 HKCARN Cc1cccc(N[C@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)n1 ZINC000000946892 568754625 /nfs/dbraw/zinc/75/46/25/568754625.db2.gz HUHLXTYKRKEJDP-HXUWFJFHSA-N 0 0 409.411 5.864 50 10 HKCARN CCCc1cc2c(cc1OCc1ccc(C(=O)OC)o1)oc(=O)cc2-c1ccccc1 ZINC000000949197 568755447 /nfs/dbraw/zinc/75/54/47/568755447.db2.gz UTFPHHWXGAOHHW-UHFFFAOYSA-N 0 0 418.445 5.371 50 10 HKCARN COc1ccc2c3ccc(OCc4cccc(C(F)(F)F)c4)c(C)c3oc(=O)c2c1 ZINC000000949214 557123682 /nfs/dbraw/zinc/12/36/82/557123682.db2.gz YTRRFYYECCQKLB-UHFFFAOYSA-N 0 0 414.379 5.861 50 10 HKCARN COc1ccc2c3ccc(OCc4cccc(C(F)(F)F)c4)cc3oc(=O)c2c1 ZINC000000949215 557123775 /nfs/dbraw/zinc/12/37/75/557123775.db2.gz KSXZSVZFFZWZOS-UHFFFAOYSA-N 0 0 400.352 5.553 50 10 HKCARN COc1ccc(N2CCN(C(=O)c3sc4cc(Cl)ccc4c3Cl)CC2)cc1 ZINC000000957039 524421723 /nfs/dbraw/zinc/42/17/23/524421723.db2.gz WYMQFJKSBIBNQA-UHFFFAOYSA-N 0 0 421.349 5.179 50 10 HKCARN O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000000970653 568759142 /nfs/dbraw/zinc/75/91/42/568759142.db2.gz WCJQSMQMKNNZJC-LZYBPNLTSA-N 0 0 404.438 5.593 50 10 HKCARN O=[N+]([O-])c1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4ccccc4cc4c3N2C[C@@H]2CC=C[C@H]42)cc1 ZINC000000975007 569030446 /nfs/dbraw/zinc/03/04/46/569030446.db2.gz SFQKUKBSPUOLCV-KTCXRXHYSA-N 0 0 420.512 6.642 50 10 HKCARN CC(C)(C)OC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N ZINC000000975542 568759562 /nfs/dbraw/zinc/75/95/62/568759562.db2.gz QZJODDDMPCSNHE-UHFFFAOYSA-N 0 0 400.447 5.581 50 10 HKCARN CCOC(=O)c1c(C)sc2c1N(C(C)=O)c1cc(Br)ccc1S2 ZINC000000978739 521404156 /nfs/dbraw/zinc/40/41/56/521404156.db2.gz VZYRJSAJLKYYIV-UHFFFAOYSA-N 0 0 412.330 5.145 50 10 HKCARN Clc1ccc(Cl)c2c1N[C@H](c1ccc(OC3CSC3)cc1)[C@H]1CC=C[C@H]21 ZINC000000978927 568760186 /nfs/dbraw/zinc/76/01/86/568760186.db2.gz HZKPDOSNAHBFMR-TWOQFEAHSA-N 0 0 404.362 6.314 50 10 HKCARN CC(=O)c1ccc(-c2ccc(C=C3SC(=S)N(c4ccccc4)C3=O)o2)cc1 ZINC000000979410 557129821 /nfs/dbraw/zinc/12/98/21/557129821.db2.gz SOXKWWCSRSMAHI-DEDYPNTBSA-N 0 0 405.500 5.555 50 10 HKCARN Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccccc1Br ZINC000000981373 557130365 /nfs/dbraw/zinc/13/03/65/557130365.db2.gz PJOHGOONXHVIFV-LICLKQGHSA-N 0 0 419.344 5.301 50 10 HKCARN Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccccc1Br ZINC000000981374 568760348 /nfs/dbraw/zinc/76/03/48/568760348.db2.gz PJOHGOONXHVIFV-YVLHZVERSA-N 0 0 419.344 5.301 50 10 HKCARN CCOc1cc(/C=C2/C=C(c3cccs3)OC2=O)ccc1OCc1ccccc1 ZINC000000981620 568760330 /nfs/dbraw/zinc/76/03/30/568760330.db2.gz LOLQBFXGDFJOSS-UYRXBGFRSA-N 0 0 404.487 5.707 50 10 HKCARN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000000983910 557131571 /nfs/dbraw/zinc/13/15/71/557131571.db2.gz FHWDXDSIZBPBGY-PCLIKHOPSA-N 0 0 421.500 5.340 50 10 HKCARN COc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc(Cl)c1O ZINC000000998025 557138807 /nfs/dbraw/zinc/13/88/07/557138807.db2.gz QJLIVPIOOBMECF-LFYBBSHMSA-N 0 0 411.672 5.167 50 10 HKCARN CCN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)SC1=S ZINC000001000195 557139512 /nfs/dbraw/zinc/13/95/12/557139512.db2.gz DHIXCZXCJNTLHJ-YVLHZVERSA-N 0 0 407.919 5.279 50 10 HKCARN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000001010963 557141920 /nfs/dbraw/zinc/14/19/20/557141920.db2.gz GOHNNPWQCNZHHD-LPYMAVHISA-N 0 0 423.438 5.919 50 10 HKCARN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000001011161 557141916 /nfs/dbraw/zinc/14/19/16/557141916.db2.gz PPJULNADIKVZJR-MTJSOVHGSA-N 0 0 424.472 5.609 50 10 HKCARN CCN(CC)c1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 ZINC000001011340 568762981 /nfs/dbraw/zinc/76/29/81/568762981.db2.gz CXMAAVOCFYXCBV-MOSHPQCFSA-N 0 0 407.564 5.420 50 10 HKCARN COc1ccc(N2C(=O)/C(=C/c3c(OC)ccc4ccccc43)SC2=S)cc1 ZINC000001013895 557142525 /nfs/dbraw/zinc/14/25/25/557142525.db2.gz GOULRSRVAYMEAC-MOSHPQCFSA-N 0 0 407.516 5.263 50 10 HKCARN CCN1C(=O)/C(=C/c2ccc(OC)c(COc3cccc(Cl)c3)c2)SC1=S ZINC000001015921 557142798 /nfs/dbraw/zinc/14/27/98/557142798.db2.gz HYXBFRUMCQHPFR-ZDLGFXPLSA-N 0 0 419.955 5.149 50 10 HKCARN CCN1C(=O)/C(=C/c2ccc(COc3cccc(C(F)(F)F)c3)o2)SC1=S ZINC000001015933 568763114 /nfs/dbraw/zinc/76/31/14/568763114.db2.gz YZIUJTRWPZCQPB-DHDCSXOGSA-N 0 0 413.442 5.099 50 10 HKCARN COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@@H]21 ZINC000001016164 569030436 /nfs/dbraw/zinc/03/04/36/569030436.db2.gz BDNLEIWCPBBREO-BIENJYKASA-N 0 0 424.260 6.303 50 10 HKCARN CCN1C(=O)/C(=C/c2ccc(OC)c(COc3cc(C)cc(C)c3)c2)SC1=S ZINC000001019064 557143603 /nfs/dbraw/zinc/14/36/03/557143603.db2.gz RTUHEFUWTYFICH-NDENLUEZSA-N 0 0 413.564 5.112 50 10 HKCARN CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000001019238 557143558 /nfs/dbraw/zinc/14/35/58/557143558.db2.gz SSWHUEHHYRFWSO-GSHUGGBRSA-N 0 0 415.364 6.302 50 10 HKCARN CCOc1ccc(NC(=S)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1 ZINC000001021552 557144173 /nfs/dbraw/zinc/14/41/73/557144173.db2.gz VLMJJPHKBUTUFJ-UHFFFAOYSA-N 0 0 409.555 5.144 50 10 HKCARN O=C(Nc1ccc(Cl)cc1)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21 ZINC000001022886 568763716 /nfs/dbraw/zinc/76/37/16/568763716.db2.gz GABJEMYOCSTNBS-IMAQQZIHSA-N 0 0 402.925 5.745 50 10 HKCARN Cn1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21 ZINC000001023130 557144169 /nfs/dbraw/zinc/14/41/69/557144169.db2.gz NHIQOVAXLPQVHT-RQZCQDPDSA-N 0 0 418.465 5.603 50 10 HKCARN CC(C)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1 ZINC000001028564 568763938 /nfs/dbraw/zinc/76/39/38/568763938.db2.gz FZWZMHPPIMPAKE-GZTJUZNOSA-N 0 0 416.955 5.010 50 10 HKCARN CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S ZINC000001028637 568763872 /nfs/dbraw/zinc/76/38/72/568763872.db2.gz YBZQULKZGNQBAU-PXNMLYILSA-N 0 0 410.347 5.403 50 10 HKCARN Cc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000001032988 557148169 /nfs/dbraw/zinc/14/81/69/557148169.db2.gz GBYANSMPBVXPSJ-UHFFFAOYSA-N 0 0 411.933 5.420 50 10 HKCARN CC(C)(C)c1ccc(NC(=O)CSc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000001034194 557149108 /nfs/dbraw/zinc/14/91/08/557149108.db2.gz FEDAYTGLTQZJBQ-UHFFFAOYSA-N 0 0 408.354 5.898 50 10 HKCARN O=C(CSc1nc2cc(Cl)c(Cl)cc2[nH]1)Nc1cccc(C(F)(F)F)c1 ZINC000001034195 557149077 /nfs/dbraw/zinc/14/90/77/557149077.db2.gz TVBPHWCTOQOIFS-UHFFFAOYSA-N 0 0 420.243 5.619 50 10 HKCARN O=C1C(=Cc2ccc(Cl)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000001036929 132235684 /nfs/dbraw/zinc/23/56/84/132235684.db2.gz PTCLKZQRTWGAHI-UHFFFAOYSA-N 0 0 418.905 5.088 50 10 HKCARN Cc1ccc(C)n1-c1ccc(C2N=NC(=S)N2c2ccc(C(F)(F)F)cc2)cc1 ZINC000001043405 557154576 /nfs/dbraw/zinc/15/45/76/557154576.db2.gz IAACDKYCCDLNME-UHFFFAOYSA-N 0 0 414.456 5.649 50 10 HKCARN COc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)c2C)c1 ZINC000001046826 557156673 /nfs/dbraw/zinc/15/66/73/557156673.db2.gz DFTXRECGPVAQIW-UHFFFAOYSA-N 0 0 416.908 6.367 50 10 HKCARN Cc1ccc(C(c2ccc(C)cc2)C2(Br)C(=O)c3ccccc3C2=O)cc1 ZINC000001051445 568765196 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CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1 ZINC000001253937 557251839 /nfs/dbraw/zinc/25/18/39/557251839.db2.gz MXYHDOOCMKAJAF-UNOMPAQXSA-N 0 0 421.547 5.227 50 10 HKCARN O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000001254075 568909010 /nfs/dbraw/zinc/90/90/10/568909010.db2.gz LRMXLCIWRIWOQM-RIYZIHGNSA-N 0 0 410.398 5.019 50 10 HKCARN O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000001254076 557251703 /nfs/dbraw/zinc/25/17/03/557251703.db2.gz LRMXLCIWRIWOQM-ZSOIEALJSA-N 0 0 410.398 5.019 50 10 HKCARN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1cccc(Br)c1 ZINC000001254566 568909039 /nfs/dbraw/zinc/90/90/39/568909039.db2.gz RCIYRKIGLAIKMP-PXNMLYILSA-N 0 0 415.337 5.336 50 10 HKCARN CC[NH+](CC)Cc1c2c(ccc1[O-])oc(C)c2C(=O)c1ccc(Br)cc1 ZINC000001257263 568909086 /nfs/dbraw/zinc/90/90/86/568909086.db2.gz NIKYNRSWDZDVBA-UHFFFAOYSA-N 0 0 416.315 5.282 50 10 HKCARN Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000001263816 568909283 /nfs/dbraw/zinc/90/92/83/568909283.db2.gz DNSKSLLWLMQALZ-AYSCHJFGSA-N 0 0 422.575 5.171 50 10 HKCARN COc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccc(C)cc2)cc1 ZINC000001274663 568910123 /nfs/dbraw/zinc/91/01/23/568910123.db2.gz LPYDAPIIZYKMAO-JOCHJYFZSA-N 0 0 420.896 5.354 50 10 HKCARN COc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccc(C)cc2)cc1 ZINC000001274664 568910116 /nfs/dbraw/zinc/91/01/16/568910116.db2.gz LPYDAPIIZYKMAO-QFIPXVFZSA-N 0 0 420.896 5.354 50 10 HKCARN COc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccccc2)cc1 ZINC000001278073 568909942 /nfs/dbraw/zinc/90/99/42/568909942.db2.gz RWRWPEVKLHPRKW-OAQYLSRUSA-N 0 0 406.869 5.046 50 10 HKCARN COc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccccc2)cc1 ZINC000001278074 568910064 /nfs/dbraw/zinc/91/00/64/568910064.db2.gz RWRWPEVKLHPRKW-NRFANRHFSA-N 0 0 406.869 5.046 50 10 HKCARN CCn1cc(C=C2C(=O)NC(=S)N(CCC3=CCCCC3)C2=O)c2ccccc21 ZINC000001279942 568910192 /nfs/dbraw/zinc/91/01/92/568910192.db2.gz ZUIMAIISWWXTDE-XMHGGMMESA-N 0 0 407.539 5.019 50 10 HKCARN COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCCC(C)C ZINC000001296546 568912950 /nfs/dbraw/zinc/91/29/50/568912950.db2.gz BWRLWGMJAIYHPN-UNOMPAQXSA-N 0 0 417.552 5.115 50 10 HKCARN CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3Cl)C2=O)cc1OC ZINC000001300828 560572891 /nfs/dbraw/zinc/57/28/91/560572891.db2.gz RHKWRWBLECIVBT-GZTJUZNOSA-N 0 0 405.928 5.153 50 10 HKCARN S=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCN(c2ccccc2)CC1 ZINC000001302587 132243827 /nfs/dbraw/zinc/24/38/27/132243827.db2.gz VPIRTSBZLKBSEZ-UHFFFAOYSA-N 0 0 417.361 5.751 50 10 HKCARN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1ccccc1Br ZINC000001303253 568913365 /nfs/dbraw/zinc/91/33/65/568913365.db2.gz RBNUVUJVAHMDLU-SXGWCWSVSA-N 0 0 415.337 5.336 50 10 HKCARN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C)c3)C2=O)cc1 ZINC000001307348 568913706 /nfs/dbraw/zinc/91/37/06/568913706.db2.gz PBWBIJJMPBFZJD-HKWRFOASSA-N 0 0 424.591 5.178 50 10 HKCARN Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 ZINC000001312263 568913865 /nfs/dbraw/zinc/91/38/65/568913865.db2.gz YXNCCBARFBXSBO-DXQMBWDBSA-N 0 0 422.575 5.171 50 10 HKCARN CCC(=O)N(CC[C@H](c1ccco1)c1ccccc1OC)Cc1ccc(N(C)C)cc1 ZINC000001323106 568914916 /nfs/dbraw/zinc/91/49/16/568914916.db2.gz STFAFNSTEPHHIS-QHCPKHFHSA-N 0 0 420.553 5.315 50 10 biogenic HKCARN CCC(=O)N(CC[C@@H](c1ccco1)c1ccccc1OC)Cc1ccc(N(C)C)cc1 ZINC000001323107 568914889 /nfs/dbraw/zinc/91/48/89/568914889.db2.gz STFAFNSTEPHHIS-HSZRJFAPSA-N 0 0 420.553 5.315 50 10 biogenic HKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2nc(C)c(-c3ccc(F)cc3)c(N)n2n1 ZINC000001386182 568923017 /nfs/dbraw/zinc/92/30/17/568923017.db2.gz YKOJEEOXQLYJKF-UHFFFAOYSA-N 0 0 417.513 5.562 50 10 HKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2ncc(-c3ccc(Cl)cc3)cn2n1 ZINC000001386196 568922922 /nfs/dbraw/zinc/92/29/22/568922922.db2.gz IQLNMLQZGBKTIP-UHFFFAOYSA-N 0 0 404.926 6.186 50 10 HKCARN COc1ccc(-c2cnc3cc(-c4sccc4-n4c(C)ccc4C)nn3c2N)cc1 ZINC000001386208 568922563 /nfs/dbraw/zinc/92/25/63/568922563.db2.gz BPVCBPVQBKSUBT-UHFFFAOYSA-N 0 0 415.522 5.123 50 10 HKCARN Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000001389581 568923440 /nfs/dbraw/zinc/92/34/40/568923440.db2.gz HHTQGGHRVPXFAV-UHFFFAOYSA-N 0 0 413.848 5.528 50 10 HKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(-c3ccc4ccccc4c3)n2n1 ZINC000001396018 568926220 /nfs/dbraw/zinc/92/62/20/568926220.db2.gz KNMDDKVNVWVRKB-UHFFFAOYSA-N 0 0 420.541 6.686 50 10 HKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2ncc(-c3ccc(F)cc3)c(N)n2n1 ZINC000001396031 568926211 /nfs/dbraw/zinc/92/62/11/568926211.db2.gz LHMZBGDFERTARU-UHFFFAOYSA-N 0 0 403.486 5.254 50 10 HKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2ncc(-c3cccc(Cl)c3)cn2n1 ZINC000001399473 568926035 /nfs/dbraw/zinc/92/60/35/568926035.db2.gz SXIGKICJGNLQMM-UHFFFAOYSA-N 0 0 404.926 6.186 50 10 HKCARN Cc1ccc(C)n1-c1ccsc1-c1cc2ncc(-c3cccc(Cl)c3)c(N)n2n1 ZINC000001406923 568928474 /nfs/dbraw/zinc/92/84/74/568928474.db2.gz MUOOIBZKGUTJJV-UHFFFAOYSA-N 0 0 419.941 5.768 50 10 HKCARN O=C1N=C(N2CCCCC2)S/C1=C\c1cn(Cc2ccccc2)c2ccccc12 ZINC000001414831 568933782 /nfs/dbraw/zinc/93/37/82/568933782.db2.gz YCRXKWVLFZSXMK-JCMHNJIXSA-N 0 0 401.535 5.146 50 10 HKCARN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCc1cccc2ccccc21 ZINC000001415975 568933857 /nfs/dbraw/zinc/93/38/57/568933857.db2.gz ZSIZYNPBTIBLMU-FYJGNVAPSA-N 0 0 421.543 5.306 50 10 HKCARN O=C1NC(=S)S/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000001416007 568933884 /nfs/dbraw/zinc/93/38/84/568933884.db2.gz NUYAQJFXSJWDFC-REZTVBANSA-N 0 0 419.358 5.485 50 10 HKCARN COc1ccc(N2C(=O)/C(=C\c3cn(C)c4ccccc34)SC2=S)cc1Cl ZINC000001416435 568933958 /nfs/dbraw/zinc/93/39/58/568933958.db2.gz XPISLJXRGHGYRZ-GIJQJNRQSA-N 0 0 414.939 5.246 50 10 HKCARN CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000001416635 568933895 /nfs/dbraw/zinc/93/38/95/568933895.db2.gz JWWAMWPDYFLYHI-LICLKQGHSA-N 0 0 405.928 5.153 50 10 HKCARN O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000001417232 557260598 /nfs/dbraw/zinc/26/05/98/557260598.db2.gz FIJJBXUIZXWPCO-VIZOYTHASA-N 0 0 410.303 5.128 50 10 HKCARN C[C@H](Oc1cccc(Br)c1)c1nc(-c2ccc(-n3cccc3)cc2)no1 ZINC000001423479 568938313 /nfs/dbraw/zinc/93/83/13/568938313.db2.gz HWTUQYQMLWVDJH-AWEZNQCLSA-N 0 0 410.271 5.430 50 10 HKCARN C[C@@H](Oc1cccc(Br)c1)c1nc(-c2ccc(-n3cccc3)cc2)no1 ZINC000001423480 525936240 /nfs/dbraw/zinc/93/62/40/525936240.db2.gz HWTUQYQMLWVDJH-CQSZACIVSA-N 0 0 410.271 5.430 50 10 HKCARN O=C1c2ccccc2-c2onc3c2c1c(N1CCOCC1)cc3Sc1ccccc1 ZINC000001429469 568939811 /nfs/dbraw/zinc/93/98/11/568939811.db2.gz HAOSCQVYSNINAB-UHFFFAOYSA-N 0 0 414.486 5.027 50 10 HKCARN O=C1c2ccccc2C(=O)C1(Nc1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000001430209 568940106 /nfs/dbraw/zinc/94/01/06/568940106.db2.gz UNXLGCFCWLGCKI-UHFFFAOYSA-N 0 0 405.453 5.866 50 10 HKCARN O=C1c2ccccc2C(=O)C1(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000001430513 568940191 /nfs/dbraw/zinc/94/01/91/568940191.db2.gz GJIVLVZKANAQDV-UHFFFAOYSA-N 0 0 405.453 5.866 50 10 HKCARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)n2c(nc3ccccc32)N1 ZINC000001431393 557262288 /nfs/dbraw/zinc/26/22/88/557262288.db2.gz HAEDMNUJTNJAAL-XMMPIXPASA-N 0 0 423.520 5.030 50 10 HKCARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)n2c(nc3ccccc32)N1 ZINC000001431394 557262415 /nfs/dbraw/zinc/26/24/15/557262415.db2.gz HAEDMNUJTNJAAL-DEOSSOPVSA-N 0 0 423.520 5.030 50 10 HKCARN CN(C)c1ccc([C@H]2CC(=Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000001446357 557266628 /nfs/dbraw/zinc/26/66/28/557266628.db2.gz SFZJKRIWSAYVGE-HSZRJFAPSA-N 0 0 405.448 5.115 50 10 HKCARN CN(C)c1ccc([C@@H]2CC(=Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000001446358 557266549 /nfs/dbraw/zinc/26/65/49/557266549.db2.gz SFZJKRIWSAYVGE-QHCPKHFHSA-N 0 0 405.448 5.115 50 10 HKCARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C(C)C)C2=O)cc1 ZINC000001462053 557268875 /nfs/dbraw/zinc/26/88/75/557268875.db2.gz LOSNJXYUDYVLQS-DEDYPNTBSA-N 0 0 419.575 5.457 50 10 HKCARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1 ZINC000001462054 568988847 /nfs/dbraw/zinc/98/88/47/568988847.db2.gz LOSNJXYUDYVLQS-MOSHPQCFSA-N 0 0 419.575 5.457 50 10 HKCARN CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S ZINC000001462127 568988767 /nfs/dbraw/zinc/98/87/67/568988767.db2.gz VHEDJQFNTKKAHK-GDNBJRDFSA-N 0 0 408.342 5.320 50 10 HKCARN CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S ZINC000001462140 568988804 /nfs/dbraw/zinc/98/88/04/568988804.db2.gz PWOYDLJOSWPTGW-RGEXLXHISA-N 0 0 405.548 5.151 50 10 HKCARN CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S ZINC000001462146 568988826 /nfs/dbraw/zinc/98/88/26/568988826.db2.gz UKBBUDIVYSWCKW-ATVHPVEESA-N 0 0 411.577 5.212 50 10 HKCARN Oc1c([C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)cc(Cl)c2cccnc12 ZINC000001463079 568988833 /nfs/dbraw/zinc/98/88/33/568988833.db2.gz LCXWGFRYORTCIN-LJQANCHMSA-N 0 0 423.727 5.322 50 10 HKCARN Oc1c([C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)cc(Cl)c2cccnc12 ZINC000001463080 568988798 /nfs/dbraw/zinc/98/87/98/568988798.db2.gz LCXWGFRYORTCIN-IBGZPJMESA-N 0 0 423.727 5.322 50 10 HKCARN Cc1cc(N[C@@H](c2cccc(Br)c2)c2ccc3cccnc3c2O)no1 ZINC000001463260 568989015 /nfs/dbraw/zinc/98/90/15/568989015.db2.gz BECYYTNLACTYRC-SFHVURJKSA-N 0 0 410.271 5.201 50 10 HKCARN Cc1cc(N[C@H](c2cccc(Br)c2)c2ccc3cccnc3c2O)no1 ZINC000001463261 568988996 /nfs/dbraw/zinc/98/89/96/568988996.db2.gz BECYYTNLACTYRC-GOSISDBHSA-N 0 0 410.271 5.201 50 10 HKCARN COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ccc(Cl)cc3)c2C)cc1 ZINC000001465387 568990553 /nfs/dbraw/zinc/99/05/53/568990553.db2.gz DWDWEWZRXKIHRF-UHFFFAOYSA-N 0 0 413.926 5.509 50 10 HKCARN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC(F)F)cc3)SC2=S)cc1 ZINC000001465874 560558082 /nfs/dbraw/zinc/55/80/82/560558082.db2.gz BDOKPPFKLGCQTJ-WJDWOHSUSA-N 0 0 407.463 5.093 50 10 HKCARN S=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000001471381 132246734 /nfs/dbraw/zinc/24/67/34/132246734.db2.gz RZBKJYVYOJSFHT-UHFFFAOYSA-N 0 0 417.361 5.751 50 10 HKCARN Nc1c(C(=O)Oc2ccccc2)sc2nc(-c3ccco3)cc(C(F)(F)F)c12 ZINC000001471620 568994532 /nfs/dbraw/zinc/99/45/32/568994532.db2.gz NCABRRBZMGFSDH-UHFFFAOYSA-N 0 0 404.369 5.377 50 10 HKCARN Cc1ccccc1OC(=O)c1sc2nc(-c3ccco3)cc(C(F)(F)F)c2c1N ZINC000001471621 568994540 /nfs/dbraw/zinc/99/45/40/568994540.db2.gz HPGJMBZIIFLBJU-UHFFFAOYSA-N 0 0 418.396 5.685 50 10 HKCARN C=C(c1ccc(Br)cc1)C1SC(=S)N(Cc2ccccc2)C1=O ZINC000001476350 569000328 /nfs/dbraw/zinc/00/03/28/569000328.db2.gz HJXDRBIJSGUWNW-VBKFSLOCSA-N 0 0 404.354 5.241 50 10 HKCARN O=C1c2ccccc2-c2onc3c2c1c(Sc1ccccc1)cc3Br ZINC000001508028 569007035 /nfs/dbraw/zinc/00/70/35/569007035.db2.gz PGLCXSDFIXKVKF-UHFFFAOYSA-N 0 0 408.276 5.953 50 10 HKCARN CCN(CC)c1ccc2cc(-c3csc(-c4ccc(N(C)C)cc4)n3)c(=O)oc2c1 ZINC000001650064 557278932 /nfs/dbraw/zinc/27/89/32/557278932.db2.gz TTZROTFCBLJUBO-UHFFFAOYSA-N 0 0 419.550 5.496 50 10 HKCARN O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2)N1c1nc2ccccc2s1 ZINC000001659172 569031637 /nfs/dbraw/zinc/03/16/37/569031637.db2.gz WJMZWTVDTJOJFC-XMHGGMMESA-N 0 0 415.905 5.784 50 10 HKCARN O=C1/C(=C/c2ccccc2)SC(=S)N1C1c2ccccc2Oc2ccccc21 ZINC000001669949 557279698 /nfs/dbraw/zinc/27/96/98/557279698.db2.gz YARPHPIBFXBZCH-ZHZULCJRSA-N 0 0 401.512 5.783 50 10 HKCARN O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1c1cccc(Br)c1 ZINC000001736918 557283767 /nfs/dbraw/zinc/28/37/67/557283767.db2.gz UIMOYXHAVRPBAF-ZSOIEALJSA-N 0 0 410.745 5.508 50 10 HKCARN O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1c1ccc(Cl)cc1 ZINC000001740591 557284054 /nfs/dbraw/zinc/28/40/54/557284054.db2.gz VSUVQWWKEOZMIE-NTEUORMPSA-N 0 0 410.745 5.508 50 10 HKCARN O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1ccc(Cl)cc1 ZINC000001740594 557283963 /nfs/dbraw/zinc/28/39/63/557283963.db2.gz VSUVQWWKEOZMIE-ZROIWOOFSA-N 0 0 410.745 5.508 50 10 HKCARN O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(Cl)cc1 ZINC000001746135 557284555 /nfs/dbraw/zinc/28/45/55/557284555.db2.gz KAZFAZZWDRLNSG-AUWJEWJLSA-N 0 0 400.739 6.053 50 10 HKCARN CCOc1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1 ZINC000001749702 557284826 /nfs/dbraw/zinc/28/48/26/557284826.db2.gz QJEJTAALRYJTGQ-YBEGLDIGSA-N 0 0 410.347 5.798 50 10 HKCARN CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 ZINC000001749747 557284823 /nfs/dbraw/zinc/28/48/23/557284823.db2.gz UHNDJAXUINMSNA-AQTBWJFISA-N 0 0 402.972 5.592 50 10 HKCARN CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1 ZINC000001749753 557284785 /nfs/dbraw/zinc/28/47/85/557284785.db2.gz SOIKWPDSJPABKW-HKWRFOASSA-N 0 0 411.596 5.005 50 10 HKCARN Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)o2)cc1 ZINC000001762503 557285293 /nfs/dbraw/zinc/28/52/93/557285293.db2.gz HUFTZYLXECYBFL-UYRXBGFRSA-N 0 0 423.584 6.141 50 10 HKCARN CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)c1 ZINC000001772575 568832347 /nfs/dbraw/zinc/83/23/47/568832347.db2.gz IUFJGKSRBAZZJF-UYRXBGFRSA-N 0 0 421.547 5.228 50 10 HKCARN CCCCOc1ccccc1NC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 ZINC000001777615 557286857 /nfs/dbraw/zinc/28/68/57/557286857.db2.gz AUSZVBPTUUPIND-UHFFFAOYSA-N 0 0 401.462 5.183 50 10 HKCARN CC[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)OCc1ccccc1 ZINC000001778904 557286837 /nfs/dbraw/zinc/28/68/37/557286837.db2.gz NMNPWPKAPNTOSM-QHCPKHFHSA-N 0 0 414.457 5.361 50 10 HKCARN CC[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)OCc1ccccc1 ZINC000001778906 557287121 /nfs/dbraw/zinc/28/71/21/557287121.db2.gz NMNPWPKAPNTOSM-HSZRJFAPSA-N 0 0 414.457 5.361 50 10 HKCARN CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 ZINC000001779799 557287147 /nfs/dbraw/zinc/28/71/47/557287147.db2.gz WWELTRQGJKLDIB-UHFFFAOYSA-N 0 0 413.517 6.251 50 10 HKCARN O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000001781253 568835260 /nfs/dbraw/zinc/83/52/60/568835260.db2.gz VJWBSWYUGZKYPA-WOJGMQOQSA-N 0 0 415.461 6.264 50 10 HKCARN O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000001781255 569052745 /nfs/dbraw/zinc/05/27/45/569052745.db2.gz VJWBSWYUGZKYPA-WQRHYEAKSA-N 0 0 415.461 6.264 50 10 HKCARN O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21)c1ccc(Cl)cc1Cl ZINC000001782197 557287127 /nfs/dbraw/zinc/28/71/27/557287127.db2.gz CVWMWYVROPXMSE-QHCPKHFHSA-N 0 0 422.311 6.372 50 10 HKCARN O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc21)c1ccc(Cl)cc1Cl ZINC000001782198 557287445 /nfs/dbraw/zinc/28/74/45/557287445.db2.gz CVWMWYVROPXMSE-HSZRJFAPSA-N 0 0 422.311 6.372 50 10 HKCARN O=C(COc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000001782200 569052804 /nfs/dbraw/zinc/05/28/04/569052804.db2.gz CXKYICAHSFCJJW-VWLOTQADSA-N 0 0 417.892 5.483 50 10 HKCARN O=C(COc1ccc(Cl)cc1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000001782201 569052842 /nfs/dbraw/zinc/05/28/42/569052842.db2.gz CXKYICAHSFCJJW-RUZDIDTESA-N 0 0 417.892 5.483 50 10 HKCARN O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1Cc1ccccc1 ZINC000001786975 557287823 /nfs/dbraw/zinc/28/78/23/557287823.db2.gz IOXICOOQLJCBHG-QNGOZBTKSA-N 0 0 403.528 5.880 50 10 HKCARN Cc1ccc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1C ZINC000001788097 557288120 /nfs/dbraw/zinc/28/81/20/557288120.db2.gz NRHXIAKDDBPTLF-YBEGLDIGSA-N 0 0 404.354 5.472 50 10 HKCARN Cc1ccc(Sc2cc(Br)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000001792364 569053231 /nfs/dbraw/zinc/05/32/31/569053231.db2.gz FMOQDYJOSDWVKN-UHFFFAOYSA-N 0 0 422.303 6.261 50 10 HKCARN FC(F)(F)c1ccc(Cl)c2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21 ZINC000001796007 557288638 /nfs/dbraw/zinc/28/86/38/557288638.db2.gz NDNSCLBAKMRQSJ-WVQJBOLRSA-N 0 0 418.673 7.492 50 10 HKCARN Fc1ccc(-c2nn(-c3ccccc3)cc2C2Nc3cccc4cccc(c43)N2)cc1 ZINC000001797799 569053330 /nfs/dbraw/zinc/05/33/30/569053330.db2.gz HJXAQIQGYFHSQE-UHFFFAOYSA-N 0 0 406.464 6.368 50 10 HKCARN CC[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2cc(-c3nc4ccccc4s3)c(=O)oc21 ZINC000001799099 569053312 /nfs/dbraw/zinc/05/33/12/569053312.db2.gz ZDLIHEROBSNOIX-INIZCTEOSA-N 0 0 420.534 5.540 50 10 HKCARN CC[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2cc(-c3nc4ccccc4s3)c(=O)oc21 ZINC000001799101 569053345 /nfs/dbraw/zinc/05/33/45/569053345.db2.gz ZDLIHEROBSNOIX-MRXNPFEDSA-N 0 0 420.534 5.540 50 10 HKCARN CCCOc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000001799484 557288965 /nfs/dbraw/zinc/28/89/65/557288965.db2.gz MSDRMLSBDSTYFI-WOJGMQOQSA-N 0 0 419.955 5.543 50 10 HKCARN Cc1cccc(N2C(=O)/C(=C/c3cccc(OCc4ccccc4)c3)SC2=S)c1 ZINC000001799653 557289029 /nfs/dbraw/zinc/28/90/29/557289029.db2.gz ABAGBODHVLPNEE-JCMHNJIXSA-N 0 0 417.555 5.980 50 10 HKCARN CN(C)c1ccc(/C=C2/SC(=O)N(c3ccccc3Br)C2=S)cc1 ZINC000001799975 568836208 /nfs/dbraw/zinc/83/62/08/568836208.db2.gz RJHBKOOUHOBOOM-LFIBNONCSA-N 0 0 419.369 5.557 50 10 HKCARN Cc1ccccc1N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S ZINC000001800687 557289282 /nfs/dbraw/zinc/28/92/82/557289282.db2.gz QMQZDAOMWFWMOL-JCMHNJIXSA-N 0 0 417.555 5.980 50 10 HKCARN COc1ccc2c3ccc(OCc4c(Cl)cccc4Cl)cc3oc(=O)c2c1 ZINC000001805005 557289586 /nfs/dbraw/zinc/28/95/86/557289586.db2.gz VESBMUMMQNARAW-UHFFFAOYSA-N 0 0 401.245 5.841 50 10 HKCARN CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1 ZINC000001806752 557289849 /nfs/dbraw/zinc/28/98/49/557289849.db2.gz OJMZBJKGZIPPBJ-AQTBWJFISA-N 0 0 402.972 5.592 50 10 HKCARN CCN(CC)c1ccc(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)cc1 ZINC000001806764 557289916 /nfs/dbraw/zinc/28/99/16/557289916.db2.gz PJLGUKXHIZLHGW-JWGURIENSA-N 0 0 418.587 6.092 50 10 HKCARN CCN(CC)c1ccc(N2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)cc1 ZINC000001806770 557289854 /nfs/dbraw/zinc/28/98/54/557289854.db2.gz DZBFOKKMILMDNG-AMQBKCJUSA-N 0 0 408.592 5.885 50 10 HKCARN O=C1/C(=C/c2ccc(-c3cccc4ccccc43)o2)SC(=S)N1c1ccccc1 ZINC000001808133 569053541 /nfs/dbraw/zinc/05/35/41/569053541.db2.gz UURAOFHREGQCGM-JCMHNJIXSA-N 0 0 413.523 6.506 50 10 HKCARN CCCCCCN1c2ccccc2/C(=C2/SC(=S)N(c3ccccc3)C2=O)C1=O ZINC000001808275 557289911 /nfs/dbraw/zinc/28/99/11/557289911.db2.gz WVKRZWHJXOFVEF-VXPUYCOJSA-N 0 0 422.575 5.390 50 10 HKCARN CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)cc3)C2=O)cc1 ZINC000001824278 569056214 /nfs/dbraw/zinc/05/62/14/569056214.db2.gz YFTZHXPYXMWNMQ-HKWRFOASSA-N 0 0 424.591 5.178 50 10 HKCARN CCOc1ccc(C=C2SC(Nc3cc(Cl)cc(Cl)c3)=NC2=O)cc1OC ZINC000001825281 569056252 /nfs/dbraw/zinc/05/62/52/569056252.db2.gz YBKMWKARSBWEPN-IDUWFGFVSA-N 0 0 423.321 5.483 50 10 HKCARN O=C1c2ccccc2-c2onc3ccc(Oc4c(F)c(F)c(F)c(F)c4F)c1c32 ZINC000001831020 557291070 /nfs/dbraw/zinc/29/10/70/557291070.db2.gz YYSBGRJRRWOOJO-UHFFFAOYSA-N 0 0 403.262 5.527 50 10 HKCARN CCOc1ccc(C=C2SC(Nc3ccccc3C(F)(F)F)=NC2=O)cc1OC ZINC000001832000 569056325 /nfs/dbraw/zinc/05/63/25/569056325.db2.gz UYZBRTSDVRBRFU-BOPFTXTBSA-N 0 0 422.428 5.195 50 10 HKCARN CCN1c2cc(-c3ccccc3)ccc2S/C1=C/C=C1\SC(=S)N(C)C1=O ZINC000001832552 568838291 /nfs/dbraw/zinc/83/82/91/568838291.db2.gz YEZFJUVGGGOIAT-VHVWWYSBSA-N 0 0 410.589 5.501 50 10 HKCARN CCOc1ccc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)cc1OC ZINC000001837723 569056424 /nfs/dbraw/zinc/05/64/24/569056424.db2.gz OIUFZXVZKHYUTG-BKUYFWCQSA-N 0 0 421.543 5.653 50 10 HKCARN O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1c1ccc(Cl)cc1 ZINC000001867802 557293311 /nfs/dbraw/zinc/29/33/11/557293311.db2.gz KGDANWDCPMPWLM-ZSOIEALJSA-N 0 0 400.739 6.053 50 10 HKCARN CCOc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)cc1 ZINC000001908055 569057836 /nfs/dbraw/zinc/05/78/36/569057836.db2.gz GXBWAHSYFKPOPM-SXGWCWSVSA-N 0 0 410.347 5.798 50 10 HKCARN O=C1/C(=C/c2ccccc2Cl)SC(=S)N1c1ccc(Br)cc1 ZINC000001908668 557295813 /nfs/dbraw/zinc/29/58/13/557295813.db2.gz UYWWLCSQYSVLAB-ZROIWOOFSA-N 0 0 410.745 5.508 50 10 HKCARN O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1 ZINC000001908791 568840302 /nfs/dbraw/zinc/84/03/02/568840302.db2.gz XMGGGKOWSSBGQU-MNDPQUGUSA-N 0 0 410.564 5.087 50 10 HKCARN O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1cccc(Cl)c1 ZINC000001909800 568840293 /nfs/dbraw/zinc/84/02/93/568840293.db2.gz QTLJZNHBAVPMTP-ZSOIEALJSA-N 0 0 410.745 5.508 50 10 HKCARN CC(C)(c1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc(N)cc2)cc1 ZINC000002023488 557299497 /nfs/dbraw/zinc/29/94/97/557299497.db2.gz KMKWGXGSGPYISJ-UHFFFAOYSA-N 0 0 410.517 6.762 50 10 HKCARN O=C1c2ccccc2-c2onc3c2c1c(N1CCCCCC1)cc3N1CCCCCC1 ZINC000002026161 569066170 /nfs/dbraw/zinc/06/61/70/569066170.db2.gz YLWHVRZKHPRQHA-UHFFFAOYSA-N 0 0 415.537 5.800 50 10 HKCARN CCOC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c2c1N ZINC000002028168 557299776 /nfs/dbraw/zinc/29/97/76/557299776.db2.gz YKXTZBKBSSBHSA-UHFFFAOYSA-N 0 0 408.910 6.043 50 10 HKCARN O=C(c1ccc(Br)cc1)c1cc(Cl)ccc1NCc1ccccc1 ZINC000002031426 557300062 /nfs/dbraw/zinc/30/00/62/557300062.db2.gz FWCYQJPKADLIBV-UHFFFAOYSA-N 0 0 400.703 5.946 50 10 HKCARN CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2SC2CCCCC2)SC1=S ZINC000002049281 569072126 /nfs/dbraw/zinc/07/21/26/569072126.db2.gz RQDVHHXRQXMOFG-WJDWOHSUSA-N 0 0 408.570 5.241 50 10 HKCARN CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)SC1=S ZINC000002049283 569072073 /nfs/dbraw/zinc/07/20/73/569072073.db2.gz JJQINDHIGSHZTD-BOPFTXTBSA-N 0 0 416.549 5.276 50 10 HKCARN O=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(=S)N1c1ccccc1Cl ZINC000002052010 557301484 /nfs/dbraw/zinc/30/14/84/557301484.db2.gz WOGVLKUQWOTSEH-XSFVSMFZSA-N 0 0 423.946 6.538 50 10 HKCARN O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1c1ccccc1Cl ZINC000002052011 569072181 /nfs/dbraw/zinc/07/21/81/569072181.db2.gz WOGVLKUQWOTSEH-ZHZULCJRSA-N 0 0 423.946 6.538 50 10 HKCARN Cc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2CC(C)(C)CC3=O)c(C)c1 ZINC000002052762 557301662 /nfs/dbraw/zinc/30/16/62/557301662.db2.gz VROVLSBCMLGHEG-UHFFFAOYSA-N 0 0 422.366 6.679 50 10 biogenic HKCARN Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)o1 ZINC000002052999 569072458 /nfs/dbraw/zinc/07/24/58/569072458.db2.gz KYXCEFWBIJQCAE-XDHOZWIPSA-N 0 0 411.935 6.314 50 10 HKCARN CN1c2cc(Cl)ccc2S/C1=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000002055972 557302995 /nfs/dbraw/zinc/30/29/95/557302995.db2.gz SPOGOSMNNVLAQE-ICFOKQHNSA-N 0 0 404.969 5.112 50 10 HKCARN O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000002056486 560584085 /nfs/dbraw/zinc/58/40/85/560584085.db2.gz OUQALSJJDNROAQ-AUWJEWJLSA-N 0 0 400.739 6.053 50 10 HKCARN COc1ccc(C2=C/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)cc1 ZINC000002058511 557303309 /nfs/dbraw/zinc/30/33/09/557303309.db2.gz BXTFSFAKKWJPGD-ZHZULCJRSA-N 0 0 418.876 5.909 50 10 HKCARN CCCCN1C(=O)/C(=C/C=C2/Sc3ccccc3N2c2ccccc2)SC1=S ZINC000002058681 569072464 /nfs/dbraw/zinc/07/24/64/569072464.db2.gz DDCPBMKKBSCABF-LRVMPXQBSA-N 0 0 424.616 6.316 50 10 HKCARN CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S ZINC000002058712 569072442 /nfs/dbraw/zinc/07/24/42/569072442.db2.gz JRHOTRFDENIQLM-MFOYZWKCSA-N 0 0 424.374 5.794 50 10 HKCARN Cc1ccc(C2=C/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)cc1C ZINC000002058750 557303459 /nfs/dbraw/zinc/30/34/59/557303459.db2.gz DUMLYCNLIWSTJA-HMAPJEAMSA-N 0 0 416.904 6.517 50 10 HKCARN CN(C)c1ccc(/C=C2/SC(=O)N(CCOc3cccc4ccccc43)C2=O)cc1 ZINC000002060342 569073361 /nfs/dbraw/zinc/07/33/61/569073361.db2.gz LFZGMAMKQGGQLT-CJLVFECKSA-N 0 0 418.518 5.021 50 10 HKCARN O=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)SC(=S)N1C1CCCCC1 ZINC000002060740 557303921 /nfs/dbraw/zinc/30/39/21/557303921.db2.gz GMSJQYJYYCTULF-LDADJPATSA-N 0 0 403.956 6.134 50 10 HKCARN Cc1cccc(Nc2cc(N3CCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000002063824 132248761 /nfs/dbraw/zinc/24/87/61/132248761.db2.gz OBQDDKLQTVEZNQ-UHFFFAOYSA-N 0 0 409.489 6.082 50 10 HKCARN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000002064094 557305324 /nfs/dbraw/zinc/30/53/24/557305324.db2.gz RDGMYAXPFLGJEI-UHFFFAOYSA-N 0 0 406.356 5.109 50 10 HKCARN Cc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2CC(C)(C)CC3=O)cc1 ZINC000002067117 557306150 /nfs/dbraw/zinc/30/61/50/557306150.db2.gz RFQLYLMHJNCQNF-UHFFFAOYSA-N 0 0 408.339 6.370 50 10 HKCARN CN(C)c1ccc(/C=C2/N=C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)OC2=O)cc1 ZINC000002068867 557306341 /nfs/dbraw/zinc/30/63/41/557306341.db2.gz ZDAMOALXRUWZQH-LPYMAVHISA-N 0 0 404.554 5.692 50 10 HKCARN Cc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@@H]21 ZINC000002070177 569356741 /nfs/dbraw/zinc/35/67/41/569356741.db2.gz NGRNPJMUOOSRQA-QVCLANMBSA-N 0 0 418.378 6.652 50 10 HKCARN CC(=O)N(/C=C/C=C/C=C1\SC(=S)N(Cc2ccccc2)C1=O)c1ccccc1 ZINC000002072489 557307475 /nfs/dbraw/zinc/30/74/75/557307475.db2.gz FPCSFEIRRCDMQE-AGQNFSGRSA-N 0 0 420.559 5.054 50 10 HKCARN CN(C)c1ccc(C2N(c3ccc(Cl)cc3)CCN2c2ccc(Cl)cc2)cc1 ZINC000002074822 569277654 /nfs/dbraw/zinc/27/76/54/569277654.db2.gz BENHWWHLBNUIQM-UHFFFAOYSA-N 0 0 412.364 6.085 50 10 HKCARN CCOc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(F)cc3)C2=O)cc1 ZINC000002075871 557308276 /nfs/dbraw/zinc/30/82/76/557308276.db2.gz AYOXICMWRQJCCL-XQNSMLJCSA-N 0 0 400.453 5.367 50 10 HKCARN CCCCCSc1nnc2c(n1)O[C@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 ZINC000002084458 557310647 /nfs/dbraw/zinc/31/06/47/557310647.db2.gz LBOBTPMMMSGYAO-OAQYLSRUSA-N 0 0 421.570 5.390 50 10 HKCARN CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 ZINC000002084459 557310976 /nfs/dbraw/zinc/31/09/76/557310976.db2.gz LBOBTPMMMSGYAO-NRFANRHFSA-N 0 0 421.570 5.390 50 10 HKCARN CC[C@H](O)c1ccc(Oc2ccc3noc4c3c2C(=O)c2ccccc2-4)c(OC)c1 ZINC000002101502 569281569 /nfs/dbraw/zinc/28/15/69/569281569.db2.gz MMQFGDDRJDGHHV-KRWDZBQOSA-N 0 0 401.418 5.284 50 10 biogenic HKCARN CCCCOc1ccc(N2COc3c(C)c4oc(=O)cc(CCCC)c4cc3C2)cc1 ZINC000002112439 569284244 /nfs/dbraw/zinc/28/42/44/569284244.db2.gz XLWBNAMGIHEDKY-UHFFFAOYSA-N 0 0 421.537 5.979 50 10 biogenic HKCARN CCc1cc(=O)oc2c1ccc1c2CN(c2ccc(OCc3ccccc3)cc2)CO1 ZINC000002112579 569284262 /nfs/dbraw/zinc/28/42/62/569284262.db2.gz CQIIIDCZZUMKRX-UHFFFAOYSA-N 0 0 413.473 5.291 50 10 biogenic HKCARN CCCCOc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)cc1 ZINC000002112666 569284261 /nfs/dbraw/zinc/28/42/61/569284261.db2.gz IEUCGFYTOYMPRE-UHFFFAOYSA-N 0 0 405.494 5.207 50 10 biogenic HKCARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(OC)c(Cl)c1)CO3 ZINC000002112703 569284235 /nfs/dbraw/zinc/28/42/35/569284235.db2.gz SCHMCSRDKJYBQN-UHFFFAOYSA-N 0 0 413.901 5.463 50 10 biogenic HKCARN COc1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1Cl ZINC000002114179 536706724 /nfs/dbraw/zinc/70/67/24/536706724.db2.gz ROURZYMAVCPMST-UHFFFAOYSA-N 0 0 419.864 5.479 50 10 biogenic HKCARN CCCCOc1ccc(N2COc3ccc4c5ccccc5c(=O)oc4c3C2)cc1 ZINC000002115764 569284635 /nfs/dbraw/zinc/28/46/35/569284635.db2.gz XKTAJHYMGIAHKN-UHFFFAOYSA-N 0 0 401.462 5.482 50 10 biogenic HKCARN Cc1c(C)c(=O)oc2c1ccc1c2CN(c2ccc(OCc3ccccc3)cc2)CO1 ZINC000002116672 569284653 /nfs/dbraw/zinc/28/46/53/569284653.db2.gz GBHVKRGCBUACJV-UHFFFAOYSA-N 0 0 413.473 5.345 50 10 biogenic HKCARN CCCCOc1ccc(N2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCC5)cc1 ZINC000002117523 569284705 /nfs/dbraw/zinc/28/47/05/569284705.db2.gz UWXINJBNMKNEOB-UHFFFAOYSA-N 0 0 405.494 5.126 50 10 biogenic HKCARN COc1ccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1 ZINC000002117824 536706899 /nfs/dbraw/zinc/70/68/99/536706899.db2.gz OVGZZYGQXMXJFA-UHFFFAOYSA-N 0 0 413.473 5.057 50 10 biogenic HKCARN CCCCOc1ccc(N2COc3ccc4c(CCCC)cc(=O)oc4c3C2)cc1 ZINC000002118967 569284826 /nfs/dbraw/zinc/28/48/26/569284826.db2.gz MDVYDTFDHUPSEY-UHFFFAOYSA-N 0 0 407.510 5.671 50 10 biogenic HKCARN O=C1/C(=C\c2ccc(F)c(Br)c2)SC(=S)N1C1CCCCC1 ZINC000002119872 557315970 /nfs/dbraw/zinc/31/59/70/557315970.db2.gz NDULLRIWYZJHML-NTEUORMPSA-N 0 0 400.338 5.122 50 10 HKCARN CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3cc(C)ccc3C)C2=O)cc1 ZINC000002119952 557315930 /nfs/dbraw/zinc/31/59/30/557315930.db2.gz GVFWYEJBSJPMMR-KGENOOAVSA-N 0 0 409.555 5.256 50 10 HKCARN CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1 ZINC000002119957 557315932 /nfs/dbraw/zinc/31/59/32/557315932.db2.gz UPJHDYBFFSDAOY-UDWIEESQSA-N 0 0 413.518 5.086 50 10 HKCARN COc1ccc(N2COc3c(C)c4oc(=O)c5ccccc5c4cc3C2)cc1Cl ZINC000002120835 569285477 /nfs/dbraw/zinc/28/54/77/569285477.db2.gz OWYSJGSYHBRTLD-UHFFFAOYSA-N 0 0 407.853 5.273 50 10 biogenic HKCARN O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1c1cccc(Cl)c1 ZINC000002121513 557315981 /nfs/dbraw/zinc/31/59/81/557315981.db2.gz CJTDRRCYTZNPER-QPEQYQDCSA-N 0 0 400.739 6.053 50 10 HKCARN CCOc1ccc(N2COc3c(C)c4oc(=O)cc(-c5ccccc5)c4cc3C2)cc1 ZINC000002122441 569285663 /nfs/dbraw/zinc/28/56/63/569285663.db2.gz ZRHVWRAUQGUIMH-UHFFFAOYSA-N 0 0 413.473 5.524 50 10 biogenic HKCARN CCCCOc1ccc(N2COc3c(C)c4oc(=O)c5ccccc5c4cc3C2)cc1 ZINC000002122447 569285707 /nfs/dbraw/zinc/28/57/07/569285707.db2.gz BXWMVUCYBBCUAA-UHFFFAOYSA-N 0 0 415.489 5.790 50 10 biogenic HKCARN CCCCOc1ccc(N2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCCC5)cc1 ZINC000002126118 569286249 /nfs/dbraw/zinc/28/62/49/569286249.db2.gz RTHGPGONHRECNI-UHFFFAOYSA-N 0 0 419.521 5.516 50 10 biogenic HKCARN Cc1c2cc(Cl)ccc2sc1C(=O)CCSc1cc(C)c(Cl)cc1C ZINC000002148326 557319358 /nfs/dbraw/zinc/31/93/58/557319358.db2.gz LABSZLFEMJHJRK-UHFFFAOYSA-N 0 0 409.403 7.498 50 10 HKCARN CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2)cc1 ZINC000002156451 569290355 /nfs/dbraw/zinc/29/03/55/569290355.db2.gz FGLAMWYJYRUOOO-BFLUCZKCSA-N 0 0 406.570 5.041 50 10 HKCARN CCCCOc1ccc(N2COc3c(C)c4oc(=O)cc(CCC)c4cc3C2)cc1 ZINC000002158675 569290447 /nfs/dbraw/zinc/29/04/47/569290447.db2.gz BETICTRRCONGCI-UHFFFAOYSA-N 0 0 407.510 5.589 50 10 biogenic HKCARN CCOc1cccc(CNc2ccc(O)cc2)c1OCc1ccc(Cl)cc1Cl ZINC000002160097 557320475 /nfs/dbraw/zinc/32/04/75/557320475.db2.gz DCOWMEBLEIGSFX-UHFFFAOYSA-N 0 0 418.320 6.289 50 10 HKCARN CCOc1cc(CNc2ccc(O)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000002160113 557320504 /nfs/dbraw/zinc/32/05/04/557320504.db2.gz UCNYYAUURQUGHL-UHFFFAOYSA-N 0 0 418.320 6.289 50 10 HKCARN Oc1ccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000002160137 557320403 /nfs/dbraw/zinc/32/04/03/557320403.db2.gz FJFAPUOERHVIAO-UHFFFAOYSA-N 0 0 402.263 5.485 50 10 HKCARN Oc1ccc(NCc2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000002160143 557320424 /nfs/dbraw/zinc/32/04/24/557320424.db2.gz NIZOXXKGZPTABC-UHFFFAOYSA-N 0 0 402.263 5.485 50 10 HKCARN CCOc1cc(CNc2ccc(O)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000002160150 557320536 /nfs/dbraw/zinc/32/05/36/557320536.db2.gz WKSJZIFVDFSLPP-UHFFFAOYSA-N 0 0 418.320 6.289 50 10 HKCARN COc1cc(CNc2ccc(O)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000002160153 557320457 /nfs/dbraw/zinc/32/04/57/557320457.db2.gz UBHDFXBGYPQKTN-UHFFFAOYSA-N 0 0 404.293 5.899 50 10 HKCARN COc1cc(CNc2ccc(O)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000002160157 557320501 /nfs/dbraw/zinc/32/05/01/557320501.db2.gz SZZSKHNLEMDDLV-UHFFFAOYSA-N 0 0 404.293 5.899 50 10 HKCARN O=C(c1ccccc1)c1cc(Cl)ccc1NC(=S)Nc1cccc(Cl)c1 ZINC000002160788 557320717 /nfs/dbraw/zinc/32/07/17/557320717.db2.gz QNFMPFPZLAHXGG-UHFFFAOYSA-N 0 0 401.318 6.033 50 10 HKCARN CCN(CC)c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000002164582 568845837 /nfs/dbraw/zinc/84/58/37/568845837.db2.gz HEUPGCKPJWMTAY-XDHOZWIPSA-N 0 0 416.930 5.436 50 10 HKCARN CCN(CC)c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(OC)c1 ZINC000002164724 569292060 /nfs/dbraw/zinc/29/20/60/569292060.db2.gz FHRSKZKTAZCHRL-YBFXNURJSA-N 0 0 416.930 5.436 50 10 HKCARN Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000002165195 557320982 /nfs/dbraw/zinc/32/09/82/557320982.db2.gz ABPNVSWJHIHGIS-BKUYFWCQSA-N 0 0 422.937 6.297 50 10 HKCARN Fc1cc(Br)cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@H]21 ZINC000002179376 557322656 /nfs/dbraw/zinc/32/26/56/557322656.db2.gz VJKHASMPDYRGDV-JKDFXYPNSA-N 0 0 412.224 6.434 50 10 HKCARN COc1ccc(NC(=O)c2c(NCc3cccc(F)c3)sc3c2CCCCC3)cc1 ZINC000002182445 557323153 /nfs/dbraw/zinc/32/31/53/557323153.db2.gz ZJBRREHUCMPNAQ-UHFFFAOYSA-N 0 0 424.541 6.029 50 10 HKCARN O=C1N(Cc2cccc3ccccc32)c2ccccc2[C@]12NN=C(c1ccccc1)S2 ZINC000002184999 569293740 /nfs/dbraw/zinc/29/37/40/569293740.db2.gz DZMGJUGSAKLKNB-AREMUKBSSA-N 0 0 421.525 5.238 50 10 HKCARN O=C1N(Cc2cccc3ccccc32)c2ccccc2[C@@]12NN=C(c1ccccc1)S2 ZINC000002185000 569293709 /nfs/dbraw/zinc/29/37/09/569293709.db2.gz DZMGJUGSAKLKNB-SANMLTNESA-N 0 0 421.525 5.238 50 10 HKCARN CCN1C(=O)/C(=C2\Sc3ccc(Cl)cc3N2C2CCCCC2)SC1=S ZINC000002186148 557324253 /nfs/dbraw/zinc/32/42/53/557324253.db2.gz ZTYUVRKYGLPPML-BMRADRMJSA-N 0 0 411.017 5.634 50 10 HKCARN CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Br)cc2)cc1 ZINC000002187853 132249131 /nfs/dbraw/zinc/24/91/31/132249131.db2.gz LAPASRLKXWNEDM-NRFANRHFSA-N 0 0 422.326 5.286 50 10 HKCARN CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Br)cc2)cc1 ZINC000002187854 132249083 /nfs/dbraw/zinc/24/90/83/132249083.db2.gz LAPASRLKXWNEDM-OAQYLSRUSA-N 0 0 422.326 5.286 50 10 HKCARN CCOC(=O)c1sc2nc(-c3ccc(C)cc3C)cc(-c3ccccc3)c2c1N ZINC000002187990 557324463 /nfs/dbraw/zinc/32/44/63/557324463.db2.gz VZSPEYHMIWQRPN-UHFFFAOYSA-N 0 0 402.519 6.006 50 10 HKCARN CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C)oc2c(C[NH+](CC)CC)c1[O-] ZINC000002196636 569294640 /nfs/dbraw/zinc/29/46/40/569294640.db2.gz ZEOPXGBTZBRAML-UHFFFAOYSA-N 0 0 422.550 5.488 50 10 HKCARN O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1CCc1ccccc1 ZINC000002196701 569294655 /nfs/dbraw/zinc/29/46/55/569294655.db2.gz CLGPLTHKNPLZEX-XLNRJJMWSA-N 0 0 417.555 5.923 50 10 HKCARN CN(C)c1ccc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3Cl)[nH]2)cc1 ZINC000002206082 569296537 /nfs/dbraw/zinc/29/65/37/569296537.db2.gz CLTJPTKYJCGFRR-UHFFFAOYSA-N 0 0 408.332 6.784 50 10 HKCARN Cc1ccc(Nc2cc(N3CCC(C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000002208945 132249461 /nfs/dbraw/zinc/24/94/61/132249461.db2.gz XSAWBHNHSBEPPT-UHFFFAOYSA-N 0 0 423.516 6.328 50 10 HKCARN CCCCC1(C)OC(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)O1 ZINC000002211865 569307676 /nfs/dbraw/zinc/30/76/76/569307676.db2.gz SJZUVEUHTSHLMM-UHFFFAOYSA-N 0 0 419.271 5.099 50 10 HKCARN O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1Cc1ccccc1 ZINC000002217486 569311582 /nfs/dbraw/zinc/31/15/82/569311582.db2.gz DGOZGMKWTQDTSZ-UNOMPAQXSA-N 0 0 422.487 5.256 50 10 HKCARN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccccc1OCc1ccccc1Cl ZINC000002221873 557663041 /nfs/dbraw/zinc/66/30/41/557663041.db2.gz RQDIHNTUMNNYNM-UHFFFAOYSA-N 0 0 412.869 5.063 50 10 HKCARN CC(=O)N(CC[C@@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccc(N(C)C)cc1 ZINC000002223981 569313379 /nfs/dbraw/zinc/31/33/79/569313379.db2.gz OFJLBEIZAZLDCG-AREMUKBSSA-N 0 0 410.602 5.718 50 10 HKCARN CC(=O)N(CC[C@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccc(N(C)C)cc1 ZINC000002223983 569313438 /nfs/dbraw/zinc/31/34/38/569313438.db2.gz OFJLBEIZAZLDCG-SANMLTNESA-N 0 0 410.602 5.718 50 10 HKCARN CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)o2)C(=O)O1 ZINC000002232751 569319912 /nfs/dbraw/zinc/31/99/12/569319912.db2.gz ANHHEPRLUSFDKK-UHFFFAOYSA-N 0 0 406.887 5.330 50 10 HKCARN FC(F)(F)c1cccc(N2CCN(C(=S)c3ccc(-c4ccccc4)o3)CC2)c1 ZINC000002233487 132250029 /nfs/dbraw/zinc/25/00/29/132250029.db2.gz GKNAVXGQYBEUQZ-UHFFFAOYSA-N 0 0 416.468 5.463 50 10 HKCARN Fc1ccc(N2CCN(C(=S)c3ccc(-c4ccccc4Cl)o3)CC2)cc1 ZINC000002233681 132250170 /nfs/dbraw/zinc/25/01/70/132250170.db2.gz GFMBTFDTHOLYRQ-UHFFFAOYSA-N 0 0 400.906 5.237 50 10 HKCARN O=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)SC(=S)N1Cc1ccco1 ZINC000002240035 557330222 /nfs/dbraw/zinc/33/02/22/557330222.db2.gz ZWDNQFFIQAZPPC-LICLKQGHSA-N 0 0 401.896 5.594 50 10 HKCARN O=C(c1ccccc1)c1ccccc1Nc1cc(-c2ccccc2)c2ccccc2n1 ZINC000002244386 569323837 /nfs/dbraw/zinc/32/38/37/569323837.db2.gz UWLSJRFWYQPFKR-UHFFFAOYSA-N 0 0 400.481 6.876 50 10 HKCARN CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c(OCC)c1 ZINC000002245921 569324157 /nfs/dbraw/zinc/32/41/57/569324157.db2.gz WFNDSMKQYGJFEI-WQRHYEAKSA-N 0 0 419.955 5.543 50 10 HKCARN O=C1/C(=C/c2ccccc2Cl)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000002247398 557331140 /nfs/dbraw/zinc/33/11/40/557331140.db2.gz CRXUEBGTKJDOOK-AUWJEWJLSA-N 0 0 400.739 6.053 50 10 HKCARN O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000002248183 557331071 /nfs/dbraw/zinc/33/10/71/557331071.db2.gz MYXAZPATCUNVKE-SOFYXZRVSA-N 0 0 424.330 5.124 50 10 HKCARN Cc1ccccc1Nc1cc(N2CCC(C)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000002248422 132250376 /nfs/dbraw/zinc/25/03/76/132250376.db2.gz ULUQTEFKUDAENR-UHFFFAOYSA-N 0 0 423.516 6.328 50 10 HKCARN O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000002249764 557331105 /nfs/dbraw/zinc/33/11/05/557331105.db2.gz RSULXSVOUGRRFJ-APSNUPSMSA-N 0 0 424.330 5.124 50 10 HKCARN Cc1ccccc1Nc1cc(N2CCCC[C@@H]2C)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000002251552 132250430 /nfs/dbraw/zinc/25/04/30/132250430.db2.gz WSSSTQYAVXPPGX-KRWDZBQOSA-N 0 0 423.516 6.470 50 10 HKCARN CCOP(=O)(OCC)[C@H](Nc1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000002252548 569324135 /nfs/dbraw/zinc/32/41/35/569324135.db2.gz WTGARXGEOODGMF-IBGZPJMESA-N 0 0 407.407 5.038 50 10 HKCARN CCOP(=O)(OCC)[C@@H](Nc1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000002252549 569324133 /nfs/dbraw/zinc/32/41/33/569324133.db2.gz WTGARXGEOODGMF-LJQANCHMSA-N 0 0 407.407 5.038 50 10 HKCARN CN(C)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000002252846 569324629 /nfs/dbraw/zinc/32/46/29/569324629.db2.gz NDAYTWYSEQCVDV-MHWRWJLKSA-N 0 0 408.470 5.177 50 10 HKCARN Cc1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1Cl ZINC000002255465 557331909 /nfs/dbraw/zinc/33/19/09/557331909.db2.gz RDJIBJGTGDGJGK-NVNXTCNLSA-N 0 0 414.766 6.361 50 10 HKCARN O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1ccc(Oc2ccccc2)cc1 ZINC000002258026 557332067 /nfs/dbraw/zinc/33/20/67/557332067.db2.gz VTXYFDYJCBKWJJ-ZHZULCJRSA-N 0 0 405.500 5.590 50 10 HKCARN CCCc1ccc(C(=O)C[C@@H](c2ccccc2)C2(C)C(=O)c3ccccc3C2=O)cc1 ZINC000002258922 569324982 /nfs/dbraw/zinc/32/49/82/569324982.db2.gz KYPLTYRYYQYRGJ-DEOSSOPVSA-N 0 0 410.513 6.081 50 10 HKCARN CCCc1ccc(C(=O)C[C@H](c2ccccc2)C2(C)C(=O)c3ccccc3C2=O)cc1 ZINC000002258923 569324996 /nfs/dbraw/zinc/32/49/96/569324996.db2.gz KYPLTYRYYQYRGJ-XMMPIXPASA-N 0 0 410.513 6.081 50 10 HKCARN CC(C)OC(=O)c1sc2nc(-c3cccs3)cc(-c3cccs3)c2c1N ZINC000002260833 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/nfs/dbraw/zinc/39/43/23/569394323.db2.gz YUHNLTKUUVYQKW-IWIPYMOSSA-N 0 0 421.525 5.018 50 10 HKCARN Oc1c(Br)cc(Br)cc1CNc1cccc2cccnc21 ZINC000002396053 569394341 /nfs/dbraw/zinc/39/43/41/569394341.db2.gz JOJRFRAIADIHPT-UHFFFAOYSA-N 0 0 408.093 5.078 50 10 HKCARN CC1CCN(C2=NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)CC1 ZINC000002406490 569396161 /nfs/dbraw/zinc/39/61/61/569396161.db2.gz SUIQHLLUYPNUMG-WQRHYEAKSA-N 0 0 421.349 5.956 50 10 HKCARN O=C1/C(=C/c2ccc(-c3nc4ccccc4s3)o2)SC(=S)N1Cc1ccco1 ZINC000002411110 569396873 /nfs/dbraw/zinc/39/68/73/569396873.db2.gz CNNUKOWZNIIGQX-YVLHZVERSA-N 0 0 424.528 5.551 50 10 HKCARN CCCCCCN1C(=O)C(=Cc2ccc(N3CCCCCC3)cc2)C(=O)NC1=S ZINC000002412125 569396944 /nfs/dbraw/zinc/39/69/44/569396944.db2.gz GBDRURYUEYYUPK-LVZFUZTISA-N 0 0 413.587 5.114 50 10 HKCARN CCN(CC)c1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)cc1 ZINC000002412127 569396996 /nfs/dbraw/zinc/39/69/96/569396996.db2.gz ACVMLEJIZGSMHC-STZFKDTASA-N 0 0 421.591 5.430 50 10 HKCARN Cn1cc(/C=C2\SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c2ccccc21 ZINC000002422464 569398159 /nfs/dbraw/zinc/39/81/59/569398159.db2.gz NVRVWKMOXLSPKX-FMQZQXMHSA-N 0 0 419.358 5.891 50 10 HKCARN COc1cccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1 ZINC000002427948 557346681 /nfs/dbraw/zinc/34/66/81/557346681.db2.gz PYCVVQVGLUXXNW-QNGOZBTKSA-N 0 0 419.527 5.893 50 10 HKCARN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000002429229 569398842 /nfs/dbraw/zinc/39/88/42/569398842.db2.gz VIISGLPHBCWZQS-SFQUDFHCSA-N 0 0 406.429 5.422 50 10 HKCARN CC1CCN(C2=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)CC1 ZINC000002435583 569399637 /nfs/dbraw/zinc/39/96/37/569399637.db2.gz GWWLJUVNUYUKRW-WQRHYEAKSA-N 0 0 421.349 5.956 50 10 HKCARN Cn1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 ZINC000002436923 569399780 /nfs/dbraw/zinc/39/97/80/569399780.db2.gz MVYKSDWKICSSJV-IUXPMGMMSA-N 0 0 419.358 5.891 50 10 HKCARN Cc1cc(C)c2nc(Cl)c(/C=C/[C@@]34NC(=O)CN3c3ccccc3C4(C)C)cc2c1 ZINC000002446061 569401341 /nfs/dbraw/zinc/40/13/41/569401341.db2.gz UKMJEINYWUBPSF-YHZGQTRVSA-N 0 0 417.940 5.142 50 10 HKCARN O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000002447481 569401694 /nfs/dbraw/zinc/40/16/94/569401694.db2.gz NWMWDMKULDLWSL-AUWJEWJLSA-N 0 0 417.836 5.904 50 10 HKCARN Oc1c([C@@H](Nc2ccccn2)c2ccccc2Br)ccc2cccnc21 ZINC000002470329 557350834 /nfs/dbraw/zinc/35/08/34/557350834.db2.gz YZHVIFXNIMXFGO-FQEVSTJZSA-N 0 0 406.283 5.299 50 10 HKCARN Oc1c([C@H](Nc2ccccn2)c2ccccc2Br)ccc2cccnc21 ZINC000002470335 557350875 /nfs/dbraw/zinc/35/08/75/557350875.db2.gz YZHVIFXNIMXFGO-HXUWFJFHSA-N 0 0 406.283 5.299 50 10 HKCARN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2)N1c1ccccc1 ZINC000002472340 568773791 /nfs/dbraw/zinc/77/37/91/568773791.db2.gz RAUDFXNPAOXMSP-HMMYKYKNSA-N 0 0 403.279 5.284 50 10 HKCARN Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(Br)cc3)c(O)c2n1 ZINC000002486092 568775299 /nfs/dbraw/zinc/77/52/99/568775299.db2.gz WVDJYHRKJJUSFE-HXUWFJFHSA-N 0 0 420.310 5.608 50 10 HKCARN Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(Br)cc3)c(O)c2n1 ZINC000002486098 568775290 /nfs/dbraw/zinc/77/52/90/568775290.db2.gz WVDJYHRKJJUSFE-FQEVSTJZSA-N 0 0 420.310 5.608 50 10 HKCARN Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccccc3Br)c(O)c2n1 ZINC000002497722 557352825 /nfs/dbraw/zinc/35/28/25/557352825.db2.gz IHCROUNMYVWTAS-OAQYLSRUSA-N 0 0 420.310 5.608 50 10 HKCARN Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccccc3Br)c(O)c2n1 ZINC000002497728 557352953 /nfs/dbraw/zinc/35/29/53/557352953.db2.gz IHCROUNMYVWTAS-NRFANRHFSA-N 0 0 420.310 5.608 50 10 HKCARN Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccc(Br)c3)c(O)c2n1 ZINC000002502840 568777230 /nfs/dbraw/zinc/77/72/30/568777230.db2.gz YZUGFHRZBGXJSE-HXUWFJFHSA-N 0 0 420.310 5.608 50 10 HKCARN Cc1ccc2ccc([C@@H](Nc3ccccn3)c3cccc(Br)c3)c(O)c2n1 ZINC000002502841 568777310 /nfs/dbraw/zinc/77/73/10/568777310.db2.gz YZUGFHRZBGXJSE-FQEVSTJZSA-N 0 0 420.310 5.608 50 10 HKCARN CC(=O)c1cccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@@H](C)CC3=O)c1 ZINC000002512793 568778798 /nfs/dbraw/zinc/77/87/98/568778798.db2.gz DROBNEXUPRNPID-CQSZACIVSA-N 0 0 422.322 5.874 50 10 HKCARN C[C@@H]1Cc2c(cc(-c3ccc(Br)cc3)n2-c2cccc(Cl)c2)C(=O)C1 ZINC000002512795 568778858 /nfs/dbraw/zinc/77/88/58/568778858.db2.gz VAAIORSBFRYHDW-CYBMUJFWSA-N 0 0 414.730 6.325 50 10 HKCARN C[C@@H]1Cc2c(cc(-c3ccc(Br)cc3)n2-c2cc(F)cc(F)c2)C(=O)C1 ZINC000002512796 568778894 /nfs/dbraw/zinc/77/88/94/568778894.db2.gz QHYQJALLDLWZSC-GFCCVEGCSA-N 0 0 416.265 5.950 50 10 HKCARN CC(C)c1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@@H](C)CC3=O)cc1 ZINC000002512799 568778889 /nfs/dbraw/zinc/77/88/89/568778889.db2.gz JDEWKRCUALVKHA-MRXNPFEDSA-N 0 0 422.366 6.795 50 10 HKCARN C[C@@H]1Cc2c(cc(-c3ccc(Br)cc3)n2-c2ccc3c(c2)OCO3)C(=O)C1 ZINC000002512800 568778834 /nfs/dbraw/zinc/77/88/34/568778834.db2.gz QFBCLXDBMLGGSK-CYBMUJFWSA-N 0 0 424.294 5.401 50 10 HKCARN COc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@@H](C)CC3=O)cc1 ZINC000002512802 568778848 /nfs/dbraw/zinc/77/88/48/568778848.db2.gz UJGAPFMEBDEISQ-CQSZACIVSA-N 0 0 410.311 5.680 50 10 HKCARN C[C@@H]1Cc2c(cc(-c3ccc(Br)cc3)n2-c2ccc(F)c(F)c2)C(=O)C1 ZINC000002512803 568778857 /nfs/dbraw/zinc/77/88/57/568778857.db2.gz UNWZYCBQMBAGNF-GFCCVEGCSA-N 0 0 416.265 5.950 50 10 HKCARN Cc1ccc(NC=CC=CC=C2SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000002520677 557354354 /nfs/dbraw/zinc/35/43/54/557354354.db2.gz IRHGBISZIHBFNA-HWXUXPMTSA-N 0 0 406.576 5.464 50 10 HKCARN COc1ccc(NC=CC=CC=C2SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000002520682 569288271 /nfs/dbraw/zinc/28/82/71/569288271.db2.gz CQGIAKZJJVZZJA-RBGJBGCGSA-N 0 0 408.548 5.121 50 10 HKCARN COc1ccc(NC=CC=CC=C2SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000002520683 569288320 /nfs/dbraw/zinc/28/83/20/569288320.db2.gz FCTVOIDLRCJQFI-HWXUXPMTSA-N 0 0 422.575 5.164 50 10 HKCARN CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S ZINC000002533056 569282882 /nfs/dbraw/zinc/28/28/82/569282882.db2.gz MIDDMNCOLZMMQG-BOPFTXTBSA-N 0 0 411.939 5.024 50 10 HKCARN CCCCc1ccc(NC(=O)CSc2ccc(NCc3ccccc3O)cc2)cc1 ZINC000002544546 557355736 /nfs/dbraw/zinc/35/57/36/557355736.db2.gz ZEIWYNNKHALKCG-UHFFFAOYSA-N 0 0 420.578 6.078 50 10 HKCARN COc1cc(Br)cc(CNc2ccc(Oc3ccccc3)cc2)c1O ZINC000002544787 569288399 /nfs/dbraw/zinc/28/83/99/569288399.db2.gz BOXWNDGPDYSFMB-UHFFFAOYSA-N 0 0 400.272 5.568 50 10 HKCARN COc1cc2nc3c(c(-c4ccc5ccccc5c4)c2cc1OC)C(=O)c1ccccc1-3 ZINC000002561568 557356650 /nfs/dbraw/zinc/35/66/50/557356650.db2.gz YVCDSACMFGGNKA-UHFFFAOYSA-N 0 0 417.464 6.284 50 10 HKCARN Cc1cc2c(n1-c1ccc(C(=O)Nc3ccc(F)cc3F)cc1)CC(C)(C)CC2=O ZINC000002562112 568783955 /nfs/dbraw/zinc/78/39/55/568783955.db2.gz BUHLEQTZKGFOKJ-UHFFFAOYSA-N 0 0 408.448 5.471 50 10 HKCARN CCN1c2cc(Cl)ccc2S/C1=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000002565294 557356851 /nfs/dbraw/zinc/35/68/51/557356851.db2.gz FWCVLPAORZTENJ-FBMGVBCBSA-N 0 0 418.996 5.502 50 10 HKCARN CCN1c2cc(Cl)ccc2S/C1=C1/SC(=S)N(c2ccccc2)C1=O ZINC000002565314 557356757 /nfs/dbraw/zinc/35/67/57/557356757.db2.gz XLRKRNRDAMJPMD-BMRADRMJSA-N 0 0 404.969 5.506 50 10 HKCARN COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1C ZINC000002617214 568785893 /nfs/dbraw/zinc/78/58/93/568785893.db2.gz QCQQZIPIGCSIJR-UHFFFAOYSA-N 0 0 414.845 5.021 50 10 HKCARN COc1ccc(-n2c(C)cc(C(=O)CSc3ccc(NC(C)=O)cc3)c2C)cc1 ZINC000002621648 568787963 /nfs/dbraw/zinc/78/79/63/568787963.db2.gz TZKOVSFOMCKHCS-UHFFFAOYSA-N 0 0 408.523 5.036 50 10 HKCARN Oc1ccccc1CN(C(=S)NCc1ccccc1)c1ccc(F)c(Cl)c1 ZINC000002622337 568788173 /nfs/dbraw/zinc/78/81/73/568788173.db2.gz PDKZDMVGQQANTE-UHFFFAOYSA-N 0 0 400.906 5.266 50 10 HKCARN Cc1cc(C(=O)CSc2nnc(-c3ccccc3C)n2C)c(C)n1-c1ccccc1 ZINC000002627636 568789821 /nfs/dbraw/zinc/78/98/21/568789821.db2.gz VWYHTDBZMBZZDU-UHFFFAOYSA-N 0 0 416.550 5.173 50 10 HKCARN Cc1cc(C(=O)CSc2nnc(C)n2Cc2ccccc2)c(C)n1-c1ccccc1 ZINC000002627752 568789826 /nfs/dbraw/zinc/78/98/26/568789826.db2.gz GERZNTCFYRTSDH-UHFFFAOYSA-N 0 0 416.550 5.017 50 10 HKCARN Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2cc(Br)ccc2O)cc1 ZINC000002631588 568791015 /nfs/dbraw/zinc/79/10/15/568791015.db2.gz ZUMOWGJFWRANJE-NRFANRHFSA-N 0 0 423.310 5.230 50 10 HKCARN Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2cc(Br)ccc2O)cc1 ZINC000002631589 568790985 /nfs/dbraw/zinc/79/09/85/568790985.db2.gz ZUMOWGJFWRANJE-OAQYLSRUSA-N 0 0 423.310 5.230 50 10 HKCARN CCCc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000002641651 568793857 /nfs/dbraw/zinc/79/38/57/568793857.db2.gz WPFHUAIEKQIXJD-GOSISDBHSA-N 0 0 407.485 5.614 50 10 HKCARN CCCc1ccc(C(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000002641653 568793819 /nfs/dbraw/zinc/79/38/19/568793819.db2.gz WPFHUAIEKQIXJD-SFHVURJKSA-N 0 0 407.485 5.614 50 10 HKCARN Cc1cc(-c2csc(NC3CCCC3)n2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000002645026 568794849 /nfs/dbraw/zinc/79/48/49/568794849.db2.gz VPACDMLQJUYPHE-UHFFFAOYSA-N 0 0 403.498 6.174 50 10 HKCARN C[C@H]1CCC[N@H+](Cc2c([O-])ccc3cc(-c4nc5ccccc5s4)c(=O)oc32)C1 ZINC000002667107 568800273 /nfs/dbraw/zinc/80/02/73/568800273.db2.gz CQSQCZDCMNLKAV-AWEZNQCLSA-N 0 0 406.507 5.007 50 10 biogenic HKCARN C[C@@H]1CCC[N@H+](Cc2c([O-])ccc3cc(-c4nc5ccccc5s4)c(=O)oc32)C1 ZINC000002667108 568800332 /nfs/dbraw/zinc/80/03/32/568800332.db2.gz CQSQCZDCMNLKAV-CQSZACIVSA-N 0 0 406.507 5.007 50 10 biogenic HKCARN Cc1oc2c(ccc([O-])c2C[N@H+]2CCC[C@@H](C)C2)c(=O)c1-c1nc2ccccc2s1 ZINC000002667140 569060560 /nfs/dbraw/zinc/06/05/60/569060560.db2.gz CXOCDNMWNQVADN-CQSZACIVSA-N 0 0 420.534 5.316 50 10 biogenic HKCARN Cc1oc2c(ccc([O-])c2C[N@H+]2CCC[C@H](C)C2)c(=O)c1-c1nc2ccccc2s1 ZINC000002667142 569060577 /nfs/dbraw/zinc/06/05/77/569060577.db2.gz CXOCDNMWNQVADN-AWEZNQCLSA-N 0 0 420.534 5.316 50 10 biogenic HKCARN Cc1oc2c(ccc([O-])c2C[NH+]2CCC(C)CC2)c(=O)c1-c1nc2ccccc2s1 ZINC000002667144 568800299 /nfs/dbraw/zinc/80/02/99/568800299.db2.gz FUTJYHVXSCCQDJ-UHFFFAOYSA-N 0 0 420.534 5.316 50 10 biogenic HKCARN Cc1oc2c(ccc([O-])c2C[NH+]2CCCCCC2)c(=O)c1-c1nc2ccccc2s1 ZINC000002667145 568800230 /nfs/dbraw/zinc/80/02/30/568800230.db2.gz DPTXOIFVCFTEAY-UHFFFAOYSA-N 0 0 420.534 5.460 50 10 HKCARN CC1(C)CCC[N@H+](Cc2c([O-])ccc3cc(-c4nc5ccccc5s4)c(=O)oc32)C1 ZINC000002667148 568800313 /nfs/dbraw/zinc/80/03/13/568800313.db2.gz RGTWIZBAHVMQAK-UHFFFAOYSA-N 0 0 420.534 5.397 50 10 biogenic HKCARN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1Cc1ccccc1 ZINC000002672850 557366626 /nfs/dbraw/zinc/36/66/26/557366626.db2.gz MOTDAMNXJRIWHT-UNOMPAQXSA-N 0 0 422.487 5.256 50 10 HKCARN CCCCN1C(=O)/C(=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)SC1=S ZINC000002673006 557739509 /nfs/dbraw/zinc/73/95/09/557739509.db2.gz JIPPAEVWQVQEGO-LCKBGRROSA-N 0 0 423.559 5.307 50 10 HKCARN CC[C@@H](C)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S ZINC000002673109 557366967 /nfs/dbraw/zinc/36/69/67/557366967.db2.gz WBIHCPQEXXGOKO-MQHRVFIMSA-N 0 0 412.363 6.253 50 10 HKCARN CC[C@H](C)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S ZINC000002673111 557366983 /nfs/dbraw/zinc/36/69/83/557366983.db2.gz WBIHCPQEXXGOKO-XBTXGSBDSA-N 0 0 412.363 6.253 50 10 HKCARN O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)SC(=S)N1C1CCCCC1 ZINC000002674183 557739747 /nfs/dbraw/zinc/73/97/47/557739747.db2.gz XLPQXXDVABPJTO-RCCKNPSSSA-N 0 0 409.576 5.800 50 10 HKCARN O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)SC(=S)N1C1CCCCC1 ZINC000002674184 557366847 /nfs/dbraw/zinc/36/68/47/557366847.db2.gz XLPQXXDVABPJTO-QNGOZBTKSA-N 0 0 409.576 5.800 50 10 HKCARN CCCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)SC1=S ZINC000002678175 557739701 /nfs/dbraw/zinc/73/97/01/557739701.db2.gz UJEXIJUHABEMGO-ZHZULCJRSA-N 0 0 413.564 5.276 50 10 HKCARN CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccco2)SC1=S ZINC000002678390 557739750 /nfs/dbraw/zinc/73/97/50/557739750.db2.gz BCYGGQXRCODFHI-RGEXLXHISA-N 0 0 423.563 5.524 50 10 HKCARN Cc1cc(C(=O)CSc2ncnc3sc(C)c(C)c32)c(C)n1-c1ccc(C)cc1 ZINC000002679473 568800765 /nfs/dbraw/zinc/80/07/65/568800765.db2.gz CKHGGDHBQUPLDI-UHFFFAOYSA-N 0 0 421.591 5.999 50 10 HKCARN Cc1ccc(N2C(=O)/C(=C/c3c4ccccc4cc4ccccc43)SC2=S)cc1 ZINC000002679702 568800714 /nfs/dbraw/zinc/80/07/14/568800714.db2.gz ARGAKMWQPQLIHG-HAHDFKILSA-N 0 0 411.551 6.707 50 10 HKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)SC2=S)cc1 ZINC000002682575 557739957 /nfs/dbraw/zinc/73/99/57/557739957.db2.gz RHBXPENUBWQRDP-UNOMPAQXSA-N 0 0 411.935 6.314 50 10 HKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)cc1 ZINC000002682674 557739972 /nfs/dbraw/zinc/73/99/72/557739972.db2.gz QANOGKARLIQJCQ-UNOMPAQXSA-N 0 0 411.935 6.314 50 10 HKCARN CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S ZINC000002696907 557741504 /nfs/dbraw/zinc/74/15/04/557741504.db2.gz BLMVCOIRBAKPBI-ZHZULCJRSA-N 0 0 419.575 5.459 50 10 HKCARN CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S ZINC000002696915 557741438 /nfs/dbraw/zinc/74/14/38/557741438.db2.gz LWYSVZHGJYWIGJ-UYRXBGFRSA-N 0 0 423.538 5.290 50 10 HKCARN C/C(=C1/SC(=S)N(c2ccc(C)cc2C)C1=O)c1ccc(Br)cc1 ZINC000002700384 557368701 /nfs/dbraw/zinc/36/87/01/557368701.db2.gz KBMHFUXAPQYLEC-LGMDPLHJSA-N 0 0 418.381 5.862 50 10 HKCARN C/C(=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(Cl)cc1 ZINC000002700407 557368642 /nfs/dbraw/zinc/36/86/42/557368642.db2.gz VESYBZBOZQQLQH-GDNBJRDFSA-N 0 0 413.873 6.155 50 10 HKCARN O=C1NC(=S)S/C1=C\c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000002730537 557371789 /nfs/dbraw/zinc/37/17/89/557371789.db2.gz FAEVDWVLKXXCKW-ODLFYWEKSA-N 0 0 411.935 5.561 50 10 HKCARN Oc1ccc(Br)c([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)c1 ZINC000002745460 557376658 /nfs/dbraw/zinc/37/66/58/557376658.db2.gz RBAFPHOWXLPNFT-FQEVSTJZSA-N 0 0 422.282 5.005 50 10 HKCARN Oc1ccc(Br)c([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)c1 ZINC000002745461 557376598 /nfs/dbraw/zinc/37/65/98/557376598.db2.gz RBAFPHOWXLPNFT-HXUWFJFHSA-N 0 0 422.282 5.005 50 10 HKCARN CCOc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2c(O)ccc3ccccc32)c1 ZINC000002745715 132257551 /nfs/dbraw/zinc/25/75/51/132257551.db2.gz VZTVQKKFPYZENW-VWLOTQADSA-N 0 0 410.473 5.715 50 10 HKCARN CCOc1cccc(N2C(=O)c3ccccc3N[C@H]2c2c(O)ccc3ccccc32)c1 ZINC000002745716 132257569 /nfs/dbraw/zinc/25/75/69/132257569.db2.gz VZTVQKKFPYZENW-RUZDIDTESA-N 0 0 410.473 5.715 50 10 HKCARN CCOc1ccc(N2C(=O)/C(=C/c3ccc(N(CC)CC)cc3)SC2=S)cc1 ZINC000002770515 557383655 /nfs/dbraw/zinc/38/36/55/557383655.db2.gz XBGAYQCVTLVFGI-HKWRFOASSA-N 0 0 412.580 5.337 50 10 HKCARN O=C1/C(=C/c2ccccc2Cl)SC(=S)N1c1ccc(Oc2ccccc2)cc1 ZINC000002784016 557387730 /nfs/dbraw/zinc/38/77/30/557387730.db2.gz IGKIJCTWCBTZEE-ZHZULCJRSA-N 0 0 423.946 6.538 50 10 HKCARN O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)SC(=S)N1Cc1ccccc1 ZINC000002784778 568465739 /nfs/dbraw/zinc/46/57/39/568465739.db2.gz MINHTYCGLDVOQA-JCMHNJIXSA-N 0 0 417.555 5.667 50 10 HKCARN O=C(c1c(F)cccc1Cl)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC000002789131 132257823 /nfs/dbraw/zinc/25/78/23/132257823.db2.gz GTWJAKBLQHWEJY-UHFFFAOYSA-N 0 0 424.903 5.021 50 10 HKCARN CCN1C(=O)/C(=C/c2ccc(OC)c(COc3ccc(Cl)cc3)c2)SC1=S ZINC000002792823 557764569 /nfs/dbraw/zinc/76/45/69/557764569.db2.gz VNVCMNOIPHZJDR-WQRHYEAKSA-N 0 0 419.955 5.149 50 10 HKCARN CC(C)N1C(=O)/C(=C/c2ccc(COc3ccc(F)cc3Cl)o2)SC1=S ZINC000002797869 568810497 /nfs/dbraw/zinc/81/04/97/568810497.db2.gz REOSRIFGXGIUAM-PXNMLYILSA-N 0 0 411.907 5.261 50 10 HKCARN O=C1C(=CNC2CCCCCCC2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 ZINC000002807288 557393466 /nfs/dbraw/zinc/39/34/66/557393466.db2.gz WTJFNEITEBZSNV-OWBHPGMISA-N 0 0 422.476 5.148 50 10 HKCARN Cc1ccc(OCc2ccc(Cl)cc2Cl)c(C=C2SC(=S)NC2=O)c1 ZINC000002811682 557393924 /nfs/dbraw/zinc/39/39/24/557393924.db2.gz OOYFDWYOEHGOLD-APSNUPSMSA-N 0 0 410.347 5.370 50 10 HKCARN Cc1ccc(CN2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)SC2=S)cc1 ZINC000002811769 557393948 /nfs/dbraw/zinc/39/39/48/557393948.db2.gz ZQPJQDLZWFPXIJ-JCMHNJIXSA-N 0 0 417.555 6.189 50 10 HKCARN Cc1ccc(OCc2ccccc2)c(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1 ZINC000002811803 557394206 /nfs/dbraw/zinc/39/42/06/557394206.db2.gz GJHNNYJHVFEWQZ-JCMHNJIXSA-N 0 0 417.555 5.980 50 10 HKCARN CC[C@@H](C)N1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S ZINC000002812007 557394317 /nfs/dbraw/zinc/39/43/17/557394317.db2.gz PGVVABTZTDYFJI-KAECEXQPSA-N 0 0 405.629 5.987 50 10 HKCARN CC[C@H](C)N1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S ZINC000002812009 557394294 /nfs/dbraw/zinc/39/42/94/557394294.db2.gz PGVVABTZTDYFJI-IGWPVBGESA-N 0 0 405.629 5.987 50 10 HKCARN O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1CCCc1ccccc1 ZINC000002813110 557394432 /nfs/dbraw/zinc/39/44/32/557394432.db2.gz TZWFXYOREZHPAM-BOPFTXTBSA-N 0 0 408.375 5.827 50 10 HKCARN O=C(CCc1ccccc1)N[C@@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc21 ZINC000002813227 557394391 /nfs/dbraw/zinc/39/43/91/557394391.db2.gz SZUBNWWCPNQEFW-SANMLTNESA-N 0 0 415.920 6.037 50 10 HKCARN O=C(CCc1ccccc1)N[C@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc21 ZINC000002813228 557394704 /nfs/dbraw/zinc/39/47/04/557394704.db2.gz SZUBNWWCPNQEFW-AREMUKBSSA-N 0 0 415.920 6.037 50 10 HKCARN Cc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1[N+](=O)[O-] ZINC000002814241 557394684 /nfs/dbraw/zinc/39/46/84/557394684.db2.gz OENOVERJJIFHPS-OVCLIPMQSA-N 0 0 424.425 5.328 50 10 HKCARN CC(C)CC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1c(O)ccc2ccccc21 ZINC000002814569 557394961 /nfs/dbraw/zinc/39/49/61/557394961.db2.gz VNRNBUTVWGGSNR-QFIPXVFZSA-N 0 0 402.321 6.104 50 10 HKCARN CC(C)CC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1c(O)ccc2ccccc21 ZINC000002814570 557394913 /nfs/dbraw/zinc/39/49/13/557394913.db2.gz VNRNBUTVWGGSNR-JOCHJYFZSA-N 0 0 402.321 6.104 50 10 HKCARN O=C1/C(=C/c2ccccc2OCc2ccccc2)SC(=S)N1CCC1CCCC1 ZINC000002817166 568812263 /nfs/dbraw/zinc/81/22/63/568812263.db2.gz ZVYQYVMMOGDOPA-JWGURIENSA-N 0 0 423.603 6.047 50 10 HKCARN CC(C)CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S ZINC000002821264 568812548 /nfs/dbraw/zinc/81/25/48/568812548.db2.gz PTYJONLCADJLNV-NVNXTCNLSA-N 0 0 412.363 6.111 50 10 HKCARN Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(Cl)c(Cl)c3)c(O)c2n1 ZINC000002822268 557396343 /nfs/dbraw/zinc/39/63/43/557396343.db2.gz UKDGXYACBOKNRR-HXUWFJFHSA-N 0 0 410.304 6.152 50 10 HKCARN Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(Cl)c(Cl)c3)c(O)c2n1 ZINC000002822269 557396275 /nfs/dbraw/zinc/39/62/75/557396275.db2.gz UKDGXYACBOKNRR-FQEVSTJZSA-N 0 0 410.304 6.152 50 10 HKCARN CN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)SC1=S ZINC000002823145 568812441 /nfs/dbraw/zinc/81/24/41/568812441.db2.gz AEVMDOZJDKAABB-AQTBWJFISA-N 0 0 411.548 5.034 50 10 HKCARN COCCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000002824583 568812383 /nfs/dbraw/zinc/81/23/83/568812383.db2.gz RYKDAXVLFIVFEL-DHDCSXOGSA-N 0 0 414.335 5.101 50 10 HKCARN O=C1/C(=C\c2ccc(N3CCCC3)cc2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000002825718 557397170 /nfs/dbraw/zinc/39/71/70/557397170.db2.gz NVCKGLVPQBTWGM-WOJGMQOQSA-N 0 0 418.946 5.485 50 10 HKCARN CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)SC1=S ZINC000002831900 557766908 /nfs/dbraw/zinc/76/69/08/557766908.db2.gz UYZOAKNZWGOSOG-YVLHZVERSA-N 0 0 424.374 5.794 50 10 HKCARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000002833926 557398263 /nfs/dbraw/zinc/39/82/63/557398263.db2.gz GJRFAWOSJFCTDT-AUWJEWJLSA-N 0 0 411.291 5.307 50 10 HKCARN Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)SC2=S)c1 ZINC000002834503 557398443 /nfs/dbraw/zinc/39/84/43/557398443.db2.gz NPLHPEFVNGXRCT-UNOMPAQXSA-N 0 0 411.935 6.314 50 10 HKCARN CCOc1ccc(CNc2sc3c(c2C(=O)Nc2ccc(OC)cc2)CCC3)cc1 ZINC000002837894 557399868 /nfs/dbraw/zinc/39/98/68/557399868.db2.gz CSHROOQTNOHMQZ-UHFFFAOYSA-N 0 0 422.550 5.509 50 10 HKCARN COc1ccc(CNc2sc3c(c2C(=O)Nc2ccccc2OC)CCCC3)cc1 ZINC000002838409 568812716 /nfs/dbraw/zinc/81/27/16/568812716.db2.gz WGCKIWDHUJSXOT-UHFFFAOYSA-N 0 0 422.550 5.509 50 10 HKCARN Cc1ccc(COc2cccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2)cc1 ZINC000002840193 557400560 /nfs/dbraw/zinc/40/05/60/557400560.db2.gz XHCLJNOCEOPFOZ-PXLXIMEGSA-N 0 0 417.555 5.980 50 10 HKCARN COc1ccc([C@@H](CCN(Cc2ccc(N(C)C)cc2)C(C)=O)c2ccccc2)cc1 ZINC000002841848 557401403 /nfs/dbraw/zinc/40/14/03/557401403.db2.gz DSWCSFQSPDSZNX-MHZLTWQESA-N 0 0 416.565 5.332 50 10 HKCARN COc1ccc([C@H](CCN(Cc2ccc(N(C)C)cc2)C(C)=O)c2ccccc2)cc1 ZINC000002841849 557401443 /nfs/dbraw/zinc/40/14/43/557401443.db2.gz DSWCSFQSPDSZNX-HHHXNRCGSA-N 0 0 416.565 5.332 50 10 HKCARN CCN1C(=O)/C(=C/c2ccccc2OCc2c(Cl)cccc2Cl)SC1=S ZINC000002843937 557768582 /nfs/dbraw/zinc/76/85/82/557768582.db2.gz ZWTFHXMHKBCRPB-YVLHZVERSA-N 0 0 424.374 5.794 50 10 HKCARN COc1cccc(CNc2ccc(O)cc2)c1OCc1ccc(Cl)cc1Cl ZINC000002845640 557402464 /nfs/dbraw/zinc/40/24/64/557402464.db2.gz BQIMUCREVVLMLJ-UHFFFAOYSA-N 0 0 404.293 5.899 50 10 HKCARN CN1C(=O)/C(=C/c2cccc(OCCCOc3ccc(Cl)cc3)c2)SC1=S ZINC000002847817 557768509 /nfs/dbraw/zinc/76/85/09/557768509.db2.gz HVEMSUNUJKZUJW-AQTBWJFISA-N 0 0 419.955 5.019 50 10 HKCARN CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)SC1=S ZINC000002848039 557768596 /nfs/dbraw/zinc/76/85/96/557768596.db2.gz KLRAZRDEHNHIQG-YVLHZVERSA-N 0 0 424.374 5.794 50 10 HKCARN O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1Cc1ccc(Cl)c(Cl)c1 ZINC000002849943 557403915 /nfs/dbraw/zinc/40/39/15/557403915.db2.gz JGKNPEDYKSNJBW-AQHRCUNFSA-N 0 0 406.359 5.951 50 10 HKCARN Cc1cccc(COc2ccccc2/C=C2/SC(=S)N(c3ccccc3)C2=O)c1 ZINC000002852102 557405202 /nfs/dbraw/zinc/40/52/02/557405202.db2.gz ATGZKCMUNKDZFR-PXLXIMEGSA-N 0 0 417.555 5.980 50 10 HKCARN Cc1cccc(COc2cccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2)c1 ZINC000002852175 557405161 /nfs/dbraw/zinc/40/51/61/557405161.db2.gz CJGDFVIUCCYYHA-PXLXIMEGSA-N 0 0 417.555 5.980 50 10 HKCARN Cc1cccc(COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)c1 ZINC000002852209 557405167 /nfs/dbraw/zinc/40/51/67/557405167.db2.gz BNZQEYRWGMRXKZ-PXLXIMEGSA-N 0 0 417.555 5.980 50 10 HKCARN Cc1ccccc1COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000002852251 557405211 /nfs/dbraw/zinc/40/52/11/557405211.db2.gz ZPFRTTVJFSTVNJ-PXLXIMEGSA-N 0 0 417.555 5.980 50 10 HKCARN CCN1C(=O)/C(=C/c2cccc(OCCCOc3cccc(C)c3)c2)SC1=S ZINC000002852257 557768553 /nfs/dbraw/zinc/76/85/53/557768553.db2.gz OLOLAWHMDHXQMT-HKWRFOASSA-N 0 0 413.564 5.064 50 10 HKCARN Cc1ccc(S(=O)(=O)Nc2cc(Sc3ccccc3)c(O)c3ccccc23)cc1 ZINC000002852629 557405494 /nfs/dbraw/zinc/40/54/94/557405494.db2.gz BLTMRVBHRPRVNU-UHFFFAOYSA-N 0 0 421.543 5.806 50 10 HKCARN CCN1C(=O)/C(=C/c2ccccc2OCCCOc2cccc(C)c2)SC1=S ZINC000002856409 557768703 /nfs/dbraw/zinc/76/87/03/557768703.db2.gz AIQUHNLEGRXCFX-HKWRFOASSA-N 0 0 413.564 5.064 50 10 HKCARN CCOc1ccc([C@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000002863262 557411072 /nfs/dbraw/zinc/41/10/72/557411072.db2.gz HLIMAZXIHFPEFE-NRFANRHFSA-N 0 0 405.885 5.589 50 10 HKCARN CCOc1ccc([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000002863263 557411113 /nfs/dbraw/zinc/41/11/13/557411113.db2.gz HLIMAZXIHFPEFE-OAQYLSRUSA-N 0 0 405.885 5.589 50 10 HKCARN Cc1ccccc1COc1ccccc1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000002863976 557411414 /nfs/dbraw/zinc/41/14/14/557411414.db2.gz VVYWQYNWOWNVAW-PXLXIMEGSA-N 0 0 417.555 5.980 50 10 HKCARN CSc1ccc([C@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000002868400 557413504 /nfs/dbraw/zinc/41/35/04/557413504.db2.gz UTBZNEGNWZYYGP-FQEVSTJZSA-N 0 0 407.926 5.912 50 10 HKCARN CSc1ccc([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000002868401 557413494 /nfs/dbraw/zinc/41/34/94/557413494.db2.gz UTBZNEGNWZYYGP-HXUWFJFHSA-N 0 0 407.926 5.912 50 10 HKCARN Oc1c([C@@H](Nc2ccccn2)c2cccc(OC3CCCC3)c2)ccc2cccnc21 ZINC000002868403 557413542 /nfs/dbraw/zinc/41/35/42/557413542.db2.gz GLUBUPGDNWUQTD-DEOSSOPVSA-N 0 0 411.505 5.858 50 10 HKCARN Oc1c([C@H](Nc2ccccn2)c2cccc(OC3CCCC3)c2)ccc2cccnc21 ZINC000002868404 557413518 /nfs/dbraw/zinc/41/35/18/557413518.db2.gz GLUBUPGDNWUQTD-XMMPIXPASA-N 0 0 411.505 5.858 50 10 HKCARN O=C(Cc1ccccc1)N[C@@H](c1ccccc1Cl)c1c(O)ccc2ccccc21 ZINC000002870313 557414675 /nfs/dbraw/zinc/41/46/75/557414675.db2.gz CIFHGWKIDSYWIS-VWLOTQADSA-N 0 0 401.893 5.647 50 10 HKCARN O=C(Cc1ccccc1)N[C@H](c1ccccc1Cl)c1c(O)ccc2ccccc21 ZINC000002870314 557414668 /nfs/dbraw/zinc/41/46/68/557414668.db2.gz CIFHGWKIDSYWIS-RUZDIDTESA-N 0 0 401.893 5.647 50 10 HKCARN CCN(CC)c1ccc(/C=C2/SC(=S)N(CNc3cccc(C)c3)C2=O)cc1 ZINC000002873019 557415741 /nfs/dbraw/zinc/41/57/41/557415741.db2.gz DKILCMCDNFBODA-XSFVSMFZSA-N 0 0 411.596 5.112 50 10 HKCARN O=C(Cc1ccccc1)N[C@@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc21 ZINC000002873318 557415744 /nfs/dbraw/zinc/41/57/44/557415744.db2.gz UANYQOUDIMIUKC-VWLOTQADSA-N 0 0 401.893 5.647 50 10 HKCARN O=C(Cc1ccccc1)N[C@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc21 ZINC000002873319 557415668 /nfs/dbraw/zinc/41/56/68/557415668.db2.gz UANYQOUDIMIUKC-RUZDIDTESA-N 0 0 401.893 5.647 50 10 HKCARN O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@@H]21 ZINC000002878151 569278421 /nfs/dbraw/zinc/27/84/21/569278421.db2.gz OESCYOPBCJNBJJ-FHSNZYRGSA-N 0 0 418.234 5.026 50 10 HKCARN Cc1ccnc(N[C@H](c2ccc3cccnc3c2O)c2cccc(Cl)c2Cl)c1 ZINC000002878481 557418298 /nfs/dbraw/zinc/41/82/98/557418298.db2.gz HQICAVDTVBACIN-NRFANRHFSA-N 0 0 410.304 6.152 50 10 HKCARN Cc1ccnc(N[C@@H](c2ccc3cccnc3c2O)c2cccc(Cl)c2Cl)c1 ZINC000002878482 557418438 /nfs/dbraw/zinc/41/84/38/557418438.db2.gz HQICAVDTVBACIN-OAQYLSRUSA-N 0 0 410.304 6.152 50 10 HKCARN CC(=O)Oc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1Br ZINC000002878863 557418417 /nfs/dbraw/zinc/41/84/17/557418417.db2.gz SLEUQVQMJMMSJD-RIYZIHGNSA-N 0 0 419.658 5.009 50 10 HKCARN Cc1cc(C(=O)CSc2nnc(-c3ccccc3)o2)c(C)n1-c1ccc(F)cc1 ZINC000002890924 569278408 /nfs/dbraw/zinc/27/84/08/569278408.db2.gz NWUHWRIJIZQWRC-UHFFFAOYSA-N 0 0 407.470 5.258 50 10 HKCARN CN(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)cc1 ZINC000002893080 557770529 /nfs/dbraw/zinc/77/05/29/557770529.db2.gz PIWBSVXIXJTCJM-UHFFFAOYSA-N 0 0 413.521 6.111 50 10 HKCARN O=C(Oc1cccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1)c1ccccc1 ZINC000002896991 568815132 /nfs/dbraw/zinc/81/51/32/568815132.db2.gz JCVUJFBHHWUQIY-HMMYKYKNSA-N 0 0 417.511 5.312 50 10 HKCARN O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccccc1 ZINC000002897078 557424342 /nfs/dbraw/zinc/42/43/42/557424342.db2.gz QCELZIIPNBYDOT-RCCKNPSSSA-N 0 0 403.528 5.671 50 10 HKCARN O=C(Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1)c1ccccc1 ZINC000002897155 568815118 /nfs/dbraw/zinc/81/51/18/568815118.db2.gz PXCROHCONFLISP-HMMYKYKNSA-N 0 0 417.511 5.312 50 10 HKCARN Cc1cccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)c1C ZINC000002903241 557424873 /nfs/dbraw/zinc/42/48/73/557424873.db2.gz RAPKHGMLAOSHME-YBEGLDIGSA-N 0 0 404.354 5.472 50 10 HKCARN COc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(Cl)c2)C1=O ZINC000002904370 568815322 /nfs/dbraw/zinc/81/53/22/568815322.db2.gz WPJBCYOFXIDZEW-XDHOZWIPSA-N 0 0 411.935 5.908 50 10 HKCARN Cc1ccc(NC2=NC(=O)C(=Cc3cccc(Br)c3)S2)cc1Cl ZINC000002909056 557425985 /nfs/dbraw/zinc/42/59/85/557425985.db2.gz RANWFAGXMIZABO-NVNXTCNLSA-N 0 0 407.720 5.493 50 10 HKCARN COc1ccccc1NC(=O)c1c(NCc2cccc(F)c2)sc2c1CCCC2 ZINC000002909441 568815734 /nfs/dbraw/zinc/81/57/34/568815734.db2.gz JHNVNMLMZLBRBI-UHFFFAOYSA-N 0 0 410.514 5.639 50 10 HKCARN COc1ccccc1NC(=O)c1c(NCc2sccc2C)sc2c1CCCC2 ZINC000002909455 568815698 /nfs/dbraw/zinc/81/56/98/568815698.db2.gz HHDXKOIIVWXOEM-UHFFFAOYSA-N 0 0 412.580 5.870 50 10 HKCARN COc1ccc(CNc2sc3c(c2C(=O)Nc2ccc(OC)cc2)CCCC3)cc1 ZINC000002909461 568815619 /nfs/dbraw/zinc/81/56/19/568815619.db2.gz PWTPTYHENNUSOW-UHFFFAOYSA-N 0 0 422.550 5.509 50 10 HKCARN COc1ccc(NC(=O)c2c(NCc3cccc(OC)c3)sc3c2CCCC3)cc1 ZINC000002909464 568815587 /nfs/dbraw/zinc/81/55/87/568815587.db2.gz MNNPGQBCATUTQJ-UHFFFAOYSA-N 0 0 422.550 5.509 50 10 HKCARN CCOc1ccccc1NC(=O)c1c2c(sc1NCc1ccncc1)CCCC2 ZINC000002909493 557771623 /nfs/dbraw/zinc/77/16/23/557771623.db2.gz QDHMFCKYFGSUHX-UHFFFAOYSA-N 0 0 407.539 5.285 50 10 HKCARN COc1ccccc1NC(=O)c1c2c(sc1NCc1ccncc1)C[C@@H](C)CC2 ZINC000002909537 568815652 /nfs/dbraw/zinc/81/56/52/568815652.db2.gz QHSLRSNNWYGKSX-HNNXBMFYSA-N 0 0 407.539 5.141 50 10 HKCARN COc1ccccc1NC(=O)c1c2c(sc1NCc1ccncc1)C[C@H](C)CC2 ZINC000002909540 568815686 /nfs/dbraw/zinc/81/56/86/568815686.db2.gz QHSLRSNNWYGKSX-OAHLLOKOSA-N 0 0 407.539 5.141 50 10 HKCARN COc1ccccc1NC(=O)c1c2c(sc1NCc1ccc(C)o1)C[C@@H](C)CC2 ZINC000002909544 568815682 /nfs/dbraw/zinc/81/56/82/568815682.db2.gz AUCVDDROZROUEE-AWEZNQCLSA-N 0 0 410.539 5.647 50 10 HKCARN COc1ccccc1NC(=O)c1c2c(sc1NCc1ccc(C)o1)C[C@H](C)CC2 ZINC000002909546 568815720 /nfs/dbraw/zinc/81/57/20/568815720.db2.gz AUCVDDROZROUEE-CQSZACIVSA-N 0 0 410.539 5.647 50 10 HKCARN COc1ccc(NC(=O)c2c3c(sc2NCc2ccc(C)o2)C[C@@H](C)CC3)cc1 ZINC000002909551 568815671 /nfs/dbraw/zinc/81/56/71/568815671.db2.gz JQSWUCCWGIXUTM-AWEZNQCLSA-N 0 0 410.539 5.647 50 10 HKCARN COc1ccc(NC(=O)c2c3c(sc2NCc2ccc(C)o2)C[C@H](C)CC3)cc1 ZINC000002909553 568815738 /nfs/dbraw/zinc/81/57/38/568815738.db2.gz JQSWUCCWGIXUTM-CQSZACIVSA-N 0 0 410.539 5.647 50 10 HKCARN CCOc1ccc(NC(=O)c2c3c(sc2NCc2cccnc2)C[C@H](C)CC3)cc1 ZINC000002909563 568815690 /nfs/dbraw/zinc/81/56/90/568815690.db2.gz CVCOGEQBJJKUQW-MRXNPFEDSA-N 0 0 421.566 5.531 50 10 HKCARN CCOc1ccc(NC(=O)c2c3c(sc2NCc2ccc(C)o2)C[C@@H](C)CC3)cc1 ZINC000002909566 568815695 /nfs/dbraw/zinc/81/56/95/568815695.db2.gz HRUQZCSOTNXABO-HNNXBMFYSA-N 0 0 424.566 6.037 50 10 HKCARN CCOc1ccc(NC(=O)c2c3c(sc2NCc2ccc(C)o2)C[C@H](C)CC3)cc1 ZINC000002909568 568815659 /nfs/dbraw/zinc/81/56/59/568815659.db2.gz HRUQZCSOTNXABO-OAHLLOKOSA-N 0 0 424.566 6.037 50 10 HKCARN CCOc1ccccc1NC(=O)c1c2c(sc1NCc1ccncc1)C[C@@H](C)CC2 ZINC000002909589 568815736 /nfs/dbraw/zinc/81/57/36/568815736.db2.gz GAMCPJLYXMHYNQ-INIZCTEOSA-N 0 0 421.566 5.531 50 10 HKCARN CCOc1ccccc1NC(=O)c1c2c(sc1NCc1ccc(C)o1)C[C@@H](C)CC2 ZINC000002909593 568815705 /nfs/dbraw/zinc/81/57/05/568815705.db2.gz HPRWYMJDBYYZGP-HNNXBMFYSA-N 0 0 424.566 6.037 50 10 HKCARN CCOc1ccccc1NC(=O)c1c2c(sc1NCc1ccc(C)o1)C[C@H](C)CC2 ZINC000002909594 568815574 /nfs/dbraw/zinc/81/55/74/568815574.db2.gz HPRWYMJDBYYZGP-OAHLLOKOSA-N 0 0 424.566 6.037 50 10 HKCARN COc1ccccc1NC(=O)c1c2c(sc1NCc1ccccn1)CCCCC2 ZINC000002909639 568815744 /nfs/dbraw/zinc/81/57/44/568815744.db2.gz QFIHCSUHHKEISP-UHFFFAOYSA-N 0 0 407.539 5.285 50 10 HKCARN COc1ccccc1NC(=O)c1c2c(sc1NCc1cccnc1)CCCCC2 ZINC000002909646 568815657 /nfs/dbraw/zinc/81/56/57/568815657.db2.gz DNDQVGSTNNRKDN-UHFFFAOYSA-N 0 0 407.539 5.285 50 10 HKCARN COc1ccc(NC(=O)c2c(NCc3cccs3)sc3c2CCCCC3)cc1 ZINC000002909653 568815688 /nfs/dbraw/zinc/81/56/88/568815688.db2.gz LQFAJGPLTGRWRJ-UHFFFAOYSA-N 0 0 412.580 5.952 50 10 HKCARN COc1ccc(NC(=O)c2c3c(sc2NCc2ccc(C)o2)CCCCC3)cc1 ZINC000002909655 568815718 /nfs/dbraw/zinc/81/57/18/568815718.db2.gz RRJUQBLKDXHYBP-UHFFFAOYSA-N 0 0 410.539 5.791 50 10 HKCARN CCOc1ccc(NC(=O)c2c3c(sc2NCc2ccncc2)CCCCC3)cc1 ZINC000002909661 568815737 /nfs/dbraw/zinc/81/57/37/568815737.db2.gz SGOUJFMHNQKYBR-UHFFFAOYSA-N 0 0 421.566 5.675 50 10 HKCARN CCOc1ccc(NC(=O)c2c3c(sc2NCc2ccc(C)o2)CCCCC3)cc1 ZINC000002909663 568815668 /nfs/dbraw/zinc/81/56/68/568815668.db2.gz MZYDOUHOJGUWCE-UHFFFAOYSA-N 0 0 424.566 6.182 50 10 HKCARN Cc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000002911772 557426204 /nfs/dbraw/zinc/42/62/04/557426204.db2.gz CKBBSJMHZUAFHI-OVCLIPMQSA-N 0 0 424.425 5.328 50 10 HKCARN CCCSc1nnc2c(n1)O[C@H](c1ccc(N(CC)CC)cc1)Nc1ccccc1-2 ZINC000002911995 557426246 /nfs/dbraw/zinc/42/62/46/557426246.db2.gz UNZDSVQJUOWNMO-OAQYLSRUSA-N 0 0 421.570 5.390 50 10 HKCARN CCCSc1nnc2c(n1)O[C@@H](c1ccc(N(CC)CC)cc1)Nc1ccccc1-2 ZINC000002911997 557426238 /nfs/dbraw/zinc/42/62/38/557426238.db2.gz UNZDSVQJUOWNMO-NRFANRHFSA-N 0 0 421.570 5.390 50 10 HKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc4c5ccccc5n(C)c4c3)SC2=S)cc1 ZINC000002918139 557426916 /nfs/dbraw/zinc/42/69/16/557426916.db2.gz LETSMGZJAYZKQI-HMAPJEAMSA-N 0 0 414.555 6.046 50 10 HKCARN O=C(COc1ccccc1)N[C@@H](/C=C/c1ccccc1)c1c(O)ccc2ccccc21 ZINC000002921383 568816798 /nfs/dbraw/zinc/81/67/98/568816798.db2.gz DOZJYTVHXGJEEI-BRGVFWSASA-N 0 0 409.485 5.495 50 10 HKCARN O=C(COc1ccccc1)N[C@H](/C=C/c1ccccc1)c1c(O)ccc2ccccc21 ZINC000002921385 568816998 /nfs/dbraw/zinc/81/69/98/568816998.db2.gz DOZJYTVHXGJEEI-VUNQTZOZSA-N 0 0 409.485 5.495 50 10 HKCARN COc1cccc(C(=O)N[C@@H](/C=C/c2ccccc2)c2c(O)ccc3ccccc32)c1 ZINC000002921387 568817011 /nfs/dbraw/zinc/81/70/11/568817011.db2.gz DLQOOFHLGXPYRZ-PCQKWUTHSA-N 0 0 409.485 5.739 50 10 HKCARN COc1cccc(C(=O)N[C@H](/C=C/c2ccccc2)c2c(O)ccc3ccccc32)c1 ZINC000002921389 568817044 /nfs/dbraw/zinc/81/70/44/568817044.db2.gz DLQOOFHLGXPYRZ-FTXPHJNYSA-N 0 0 409.485 5.739 50 10 HKCARN COc1cccc(C(=O)N[C@@H](c2ccccc2)c2cc(Cl)c3cccnc3c2O)c1 ZINC000002921404 558779814 /nfs/dbraw/zinc/77/98/14/558779814.db2.gz JDDZIBLXGVHHBX-NRFANRHFSA-N 0 0 418.880 5.122 50 10 biogenic HKCARN COc1cccc(C(=O)N[C@H](c2ccccc2)c2cc(Cl)c3cccnc3c2O)c1 ZINC000002921405 558779735 /nfs/dbraw/zinc/77/97/35/558779735.db2.gz JDDZIBLXGVHHBX-OAQYLSRUSA-N 0 0 418.880 5.122 50 10 biogenic HKCARN CCOC(=O)c1sc2nc3c(c(-c4ccccc4Cl)c2c1N)CCCCC3 ZINC000002925642 557772627 /nfs/dbraw/zinc/77/26/27/557772627.db2.gz FMALHRVOPTWHFH-UHFFFAOYSA-N 0 0 400.931 5.645 50 10 HKCARN COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc12 ZINC000002927204 557427466 /nfs/dbraw/zinc/42/74/66/557427466.db2.gz AOQZHRNWWYACLB-YBFXNURJSA-N 0 0 411.935 5.908 50 10 HKCARN CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)NC3CCCC3)c2)c1C ZINC000002928803 568817957 /nfs/dbraw/zinc/81/79/57/568817957.db2.gz MFTDBJFBBPOLGK-UHFFFAOYSA-N 0 0 416.521 5.302 50 10 HKCARN CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)N[C@H](C)CC)c2)c1C ZINC000002929015 568817964 /nfs/dbraw/zinc/81/79/64/568817964.db2.gz DJNQTKZXLKYLRZ-QGZVFWFLSA-N 0 0 404.510 5.158 50 10 HKCARN CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)N[C@@H](C)CC)c2)c1C ZINC000002929016 568817943 /nfs/dbraw/zinc/81/79/43/568817943.db2.gz DJNQTKZXLKYLRZ-KRWDZBQOSA-N 0 0 404.510 5.158 50 10 HKCARN CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)NC(C)(C)C)c2)c1C ZINC000002929030 568817977 /nfs/dbraw/zinc/81/79/77/568817977.db2.gz PSZMLXHIFZXJAL-UHFFFAOYSA-N 0 0 404.510 5.158 50 10 HKCARN COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)SC1=S ZINC000002929920 557427724 /nfs/dbraw/zinc/42/77/24/557427724.db2.gz DIQAEJLSDUAIGQ-STZFKDTASA-N 0 0 422.575 5.095 50 10 HKCARN Cc1ccc(N(Cc2c(O)ccc3ccccc32)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000002939711 557428612 /nfs/dbraw/zinc/42/86/12/557428612.db2.gz RDJRPTITLFERQV-UHFFFAOYSA-N 0 0 412.445 5.609 50 10 HKCARN CC(=O)N1c2ccc3ccccc3c2[C@@H]2C=CC[C@@H]2[C@H]1c1ccc(Br)cc1 ZINC000002940554 557428822 /nfs/dbraw/zinc/42/88/22/557428822.db2.gz QXFVAFMBSIXVEP-ZFGGDYGUSA-N 0 0 418.334 6.370 50 10 aggregator HKCARN CCN1C(=O)/C(=C/c2cccc(OCc3cccc4ccccc43)c2)SC1=S ZINC000002959463 557773102 /nfs/dbraw/zinc/77/31/02/557773102.db2.gz UFQISYGVFYFHFA-STZFKDTASA-N 0 0 405.544 5.640 50 10 HKCARN COc1c(Cl)cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1Cl ZINC000002961679 557431635 /nfs/dbraw/zinc/43/16/35/557431635.db2.gz ZJIJXXKIGMFRPT-OQLLNIDSSA-N 0 0 410.347 5.403 50 10 HKCARN CCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)SC1=S ZINC000002962561 557773398 /nfs/dbraw/zinc/77/33/98/557773398.db2.gz NJMKLMCYTKNJQS-STZFKDTASA-N 0 0 405.544 5.640 50 10 HKCARN CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)SC1=S ZINC000002964313 557773690 /nfs/dbraw/zinc/77/36/90/557773690.db2.gz DSIHFKDLUMTZQE-YVLHZVERSA-N 0 0 407.919 5.279 50 10 HKCARN CC(C)(C)C1(C)OC(=O)C(=Cc2ccccc2OCc2ccccc2Cl)C(=O)O1 ZINC000002970961 557432783 /nfs/dbraw/zinc/43/27/83/557432783.db2.gz ZRYPHBXLJNYNCG-UHFFFAOYSA-N 0 0 414.885 5.165 50 10 HKCARN CCOC(=O)[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)c1ccccc1 ZINC000002976487 557433343 /nfs/dbraw/zinc/43/33/43/557433343.db2.gz FQEDTIVZEGDPDJ-XMMPIXPASA-N 0 0 400.430 5.143 50 10 HKCARN CCOC(=O)[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)c1ccccc1 ZINC000002976489 557433298 /nfs/dbraw/zinc/43/32/98/557433298.db2.gz FQEDTIVZEGDPDJ-DEOSSOPVSA-N 0 0 400.430 5.143 50 10 HKCARN CCOC(=O)[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C)c1ccccc1 ZINC000002976583 557433323 /nfs/dbraw/zinc/43/33/23/557433323.db2.gz ACOQDERHDUSFQE-RUZDIDTESA-N 0 0 414.457 5.452 50 10 aggregator HKCARN CCOC(=O)[C@@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C)c1ccccc1 ZINC000002976585 557433274 /nfs/dbraw/zinc/43/32/74/557433274.db2.gz ACOQDERHDUSFQE-VWLOTQADSA-N 0 0 414.457 5.452 50 10 aggregator HKCARN CCN1C(=O)/C(=C/c2ccccc2OCCOc2ccccc2Cl)SC1=S ZINC000002977282 557433587 /nfs/dbraw/zinc/43/35/87/557433587.db2.gz VZRIUSHEZIKBEY-AQTBWJFISA-N 0 0 419.955 5.019 50 10 HKCARN 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/nfs/dbraw/zinc/43/42/84/557434284.db2.gz PQZYFIHOABIQOJ-VWLOTQADSA-N 0 0 413.473 5.082 50 10 HKCARN COc1ccc(C(=O)N[C@H](c2ccccc2OC)c2c(O)ccc3ccccc32)cc1 ZINC000002978434 557434252 /nfs/dbraw/zinc/43/42/52/557434252.db2.gz PQZYFIHOABIQOJ-RUZDIDTESA-N 0 0 413.473 5.082 50 10 HKCARN COc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2c(O)ccc3ccccc32)cc1 ZINC000002978591 557434224 /nfs/dbraw/zinc/43/42/24/557434224.db2.gz RWIZVIYUODONSA-DEOSSOPVSA-N 0 0 417.892 5.727 50 10 HKCARN COc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2c(O)ccc3ccccc32)cc1 ZINC000002978592 557434207 /nfs/dbraw/zinc/43/42/07/557434207.db2.gz RWIZVIYUODONSA-XMMPIXPASA-N 0 0 417.892 5.727 50 10 HKCARN COc1ccc(C(=O)N[C@@H](c2ccccc2Cl)c2c(O)ccc3ccccc32)cc1 ZINC000002979519 569364402 /nfs/dbraw/zinc/36/44/02/569364402.db2.gz MUPJWZFTJXBWCG-DEOSSOPVSA-N 0 0 417.892 5.727 50 10 HKCARN COc1ccc(C(=O)N[C@H](c2ccccc2Cl)c2c(O)ccc3ccccc32)cc1 ZINC000002979520 558780188 /nfs/dbraw/zinc/78/01/88/558780188.db2.gz MUPJWZFTJXBWCG-XMMPIXPASA-N 0 0 417.892 5.727 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/nfs/dbraw/zinc/43/70/73/557437073.db2.gz YOPDLRSJNGGLKF-DHDCSXOGSA-N 0 0 414.335 5.101 50 10 HKCARN CN(c1ccccc1)c1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000002988781 557437286 /nfs/dbraw/zinc/43/72/86/557437286.db2.gz CVQBARYWUHHSGO-LTGZKZEYSA-N 0 0 408.592 5.988 50 10 HKCARN Cc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000002989134 557437332 /nfs/dbraw/zinc/43/73/32/557437332.db2.gz ABCPWQRXKVXOLH-HYARGMPZSA-N 0 0 418.587 5.804 50 10 HKCARN O=C1/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)SC(=S)N1C1CCCCC1 ZINC000002989493 557437559 /nfs/dbraw/zinc/43/75/59/557437559.db2.gz KXIPNMHUKQRCDM-WOJGMQOQSA-N 0 0 421.946 6.273 50 10 HKCARN O=C1/C(=C\c2cc(Br)ccc2F)SC(=S)N1C1CCCCC1 ZINC000002989925 557437456 /nfs/dbraw/zinc/43/74/56/557437456.db2.gz BJVSAYKWASUMHK-NTEUORMPSA-N 0 0 400.338 5.122 50 10 HKCARN c1cc2cccc3c2c(c1)NC(c1ccc(C2Nc4cccc5cccc(c54)N2)cc1)N3 ZINC000002990513 558780182 /nfs/dbraw/zinc/78/01/82/558780182.db2.gz UIPCVJKRSFIVPJ-UHFFFAOYSA-N 0 0 414.512 7.065 50 10 HKCARN CN(c1ccccc1)c1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000002990777 557437765 /nfs/dbraw/zinc/43/77/65/557437765.db2.gz PRMKFKGGYFKUFH-KGENOOAVSA-N 0 0 420.534 5.999 50 10 HKCARN CCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000002991829 557437955 /nfs/dbraw/zinc/43/79/55/557437955.db2.gz MSRSVTABVZPCBW-GZTJUZNOSA-N 0 0 423.481 5.900 50 10 HKCARN CN(c1ccccc1)c1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000002992865 557779732 /nfs/dbraw/zinc/77/97/32/557779732.db2.gz IIIBQAANPMPRAX-CJLVFECKSA-N 0 0 416.571 5.856 50 10 HKCARN O=C1/C(=C/C=C(\Br)c2ccccc2)SC(=S)N1Cc1ccccc1 ZINC000002993365 557438117 /nfs/dbraw/zinc/43/81/17/557438117.db2.gz LRESSCJGHAHFMC-LSQIQBGYSA-N 0 0 416.365 5.367 50 10 HKCARN CCCCc1ccc(CC2(CC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000002996143 557438617 /nfs/dbraw/zinc/43/86/17/557438617.db2.gz VQQGQJKNQAYOFK-UHFFFAOYSA-N 0 0 410.513 5.910 50 10 HKCARN CC(C)c1ccc([C@H](NC(=O)C2CCCCC2)c2ccc3cccnc3c2O)cc1 ZINC000002996892 557438906 /nfs/dbraw/zinc/43/89/06/557438906.db2.gz SJOPIOKNSQOWOH-QHCPKHFHSA-N 0 0 402.538 5.850 50 10 HKCARN CC(C)c1ccc([C@@H](NC(=O)C2CCCCC2)c2ccc3cccnc3c2O)cc1 ZINC000002996893 557438909 /nfs/dbraw/zinc/43/89/09/557438909.db2.gz SJOPIOKNSQOWOH-HSZRJFAPSA-N 0 0 402.538 5.850 50 10 HKCARN CN(c1ccccc1)c1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000002998153 557439139 /nfs/dbraw/zinc/43/91/39/557439139.db2.gz SWNRIPMUYVTBDB-RCCKNPSSSA-N 0 0 420.534 5.999 50 10 HKCARN CCCCC(=O)N[C@@H](c1ccc(N(CC)CC)cc1)c1ccc2cccnc2c1O ZINC000002998195 558780146 /nfs/dbraw/zinc/78/01/46/558780146.db2.gz WTVLPUWOVVAQKG-QHCPKHFHSA-N 0 0 405.542 5.182 50 10 HKCARN CCCCC(=O)N[C@H](c1ccc(N(CC)CC)cc1)c1ccc2cccnc2c1O ZINC000002998196 558780191 /nfs/dbraw/zinc/78/01/91/558780191.db2.gz WTVLPUWOVVAQKG-HSZRJFAPSA-N 0 0 405.542 5.182 50 10 HKCARN COc1c(Cl)cc(Cl)cc1/C=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000002999658 568836710 /nfs/dbraw/zinc/83/67/10/568836710.db2.gz QSEHFXNWKBICLU-OVCLIPMQSA-N 0 0 410.347 5.403 50 10 HKCARN COc1c(Cl)cc(Cl)cc1/C=C1/SC(=S)N(C2CCCCC2)C1=O ZINC000002999715 557439850 /nfs/dbraw/zinc/43/98/50/557439850.db2.gz QDWDKMGIXULCLN-RIYZIHGNSA-N 0 0 402.368 5.536 50 10 HKCARN Cc1ccccc1N1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S ZINC000003000379 557439782 /nfs/dbraw/zinc/43/97/82/557439782.db2.gz CCUMSOYUZPFEKI-JCMHNJIXSA-N 0 0 417.555 5.980 50 10 HKCARN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000003000669 557439758 /nfs/dbraw/zinc/43/97/58/557439758.db2.gz HKFKLTKYMSXISC-AUWJEWJLSA-N 0 0 411.291 5.307 50 10 HKCARN Cc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccccc1 ZINC000003000852 557440009 /nfs/dbraw/zinc/44/00/09/557440009.db2.gz VWNXBBLAEWJLOM-STZFKDTASA-N 0 0 404.560 5.808 50 10 HKCARN O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)SC(=S)N1c1ccccc1F ZINC000003001230 557440027 /nfs/dbraw/zinc/44/00/27/557440027.db2.gz PFLFDNWAZJPPFQ-STZFKDTASA-N 0 0 421.518 5.811 50 10 HKCARN Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3)SC2=S)cc1 ZINC000003001903 557440066 /nfs/dbraw/zinc/44/00/66/557440066.db2.gz UMWAPCIEERQAGE-JCMHNJIXSA-N 0 0 417.555 5.980 50 10 HKCARN O=C1/C(=C/c2ccc(Sc3ccccc3)o2)SC(=S)N1c1ccccc1F ZINC000003002076 557439975 /nfs/dbraw/zinc/43/99/75/557439975.db2.gz IYOGDBMVPISBJL-ATVHPVEESA-N 0 0 413.520 5.976 50 10 HKCARN O=C1/C(=C/C=C/c2ccc(Br)cc2)SC(=S)N1Cc1ccccc1 ZINC000003002920 568837084 /nfs/dbraw/zinc/83/70/84/568837084.db2.gz CMSQBTLPQDJVAX-GUSDSWBTSA-N 0 0 416.365 5.407 50 10 HKCARN Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000003003111 557440214 /nfs/dbraw/zinc/44/02/14/557440214.db2.gz TXOGHTJDKOGMFX-JCMHNJIXSA-N 0 0 417.555 5.980 50 10 HKCARN O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(Cl)cc1Cl ZINC000003003163 557440270 /nfs/dbraw/zinc/44/02/70/557440270.db2.gz DINUIRDJPIQDEU-AUWJEWJLSA-N 0 0 411.291 5.307 50 10 HKCARN Oc1c([C@@H](Nc2ccccn2)c2cccc(Oc3ccccc3)c2)ccc2cccnc21 ZINC000003003529 557440258 /nfs/dbraw/zinc/44/02/58/557440258.db2.gz WJNJQDQWGRQWCD-VWLOTQADSA-N 0 0 419.484 6.329 50 10 HKCARN Oc1c([C@H](Nc2ccccn2)c2cccc(Oc3ccccc3)c2)ccc2cccnc21 ZINC000003003530 557440235 /nfs/dbraw/zinc/44/02/35/557440235.db2.gz WJNJQDQWGRQWCD-RUZDIDTESA-N 0 0 419.484 6.329 50 10 HKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)SC2=S)cc1 ZINC000003003670 557440299 /nfs/dbraw/zinc/44/02/99/557440299.db2.gz CUBFLDXENMEOMG-JCMHNJIXSA-N 0 0 417.555 5.980 50 10 HKCARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000003003710 557440198 /nfs/dbraw/zinc/44/01/98/557440198.db2.gz WKLGIAZKOFGJCY-AUWJEWJLSA-N 0 0 411.291 5.307 50 10 HKCARN O=C1/C(=C/C=C/c2cccc(Br)c2)SC(=S)N1Cc1ccccc1 ZINC000003005074 568837087 /nfs/dbraw/zinc/83/70/87/568837087.db2.gz OAJODVCUXDWSQI-UWEUVYFBSA-N 0 0 416.365 5.407 50 10 HKCARN CCOc1cccc(CNc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1O ZINC000003013760 568838317 /nfs/dbraw/zinc/83/83/17/568838317.db2.gz XSRAGCIGFGKGTD-UHFFFAOYSA-N 0 0 408.885 6.173 50 10 HKCARN Cc1ccc(-c2c3c(N)c(C(=O)OCc4ccccc4)sc3nc3c2CCCC3)o1 ZINC000003014124 557779818 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CCc1ccccc1NC(=S)N(Cc1ccc2c(c1)CCCN2CC)C1CCCC1 ZINC000003056852 132262224 /nfs/dbraw/zinc/26/22/24/132262224.db2.gz YGBRBZXORUEWLN-UHFFFAOYSA-N 0 0 421.654 6.163 50 10 HKCARN CCc1ccc(NC(=O)N(Cc2ccc3c(c2)CCCN3CC)C2CCCC2)cc1 ZINC000003056859 132262255 /nfs/dbraw/zinc/26/22/55/132262255.db2.gz UOIPTWRBRZOEKY-UHFFFAOYSA-N 0 0 405.586 5.998 50 10 HKCARN CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3cccc(C)c3)ccc21 ZINC000003057213 534915715 /nfs/dbraw/zinc/91/57/15/534915715.db2.gz VWKBMBIQLJBZRC-UHFFFAOYSA-N 0 0 411.615 5.003 50 10 HKCARN CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3ccccc3C)ccc21 ZINC000003057245 534915500 /nfs/dbraw/zinc/91/55/00/534915500.db2.gz UKEJSQXUFWKCOR-UHFFFAOYSA-N 0 0 411.615 5.003 50 10 HKCARN CCN1CCCc2cc(CN(C(=S)Nc3ccc(OC)cc3)C3CCCC3)ccc21 ZINC000003057287 132262381 /nfs/dbraw/zinc/26/23/81/132262381.db2.gz FELBSOKPZKIVMR-UHFFFAOYSA-N 0 0 423.626 5.609 50 10 HKCARN CCN1CCCc2cc(CN(C(=S)Nc3cccc(C)c3)C3CCCC3)ccc21 ZINC000003057289 132262371 /nfs/dbraw/zinc/26/23/71/132262371.db2.gz 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ZINC000003065961 557794212 /nfs/dbraw/zinc/79/42/12/557794212.db2.gz ZTMLYXNNGHRFBT-UHFFFAOYSA-N 0 0 408.523 5.118 50 10 HKCARN CCOc1ccccc1CNc1sc2c(c1C(=O)Nc1ccc(OC)cc1)CCC2 ZINC000003065965 568853416 /nfs/dbraw/zinc/85/34/16/568853416.db2.gz QRWQPHVUJFECMZ-UHFFFAOYSA-N 0 0 422.550 5.509 50 10 HKCARN CCOc1ccc(NC(=O)c2c(NCc3cccc(F)c3)sc3c2CCC3)cc1 ZINC000003065970 568853377 /nfs/dbraw/zinc/85/33/77/568853377.db2.gz YYPNFTIUQOPVQD-UHFFFAOYSA-N 0 0 410.514 5.639 50 10 HKCARN CCOc1ccc(NC(=O)c2c(NCc3ccc(OC)cc3)sc3c2CCC3)cc1 ZINC000003065974 568853391 /nfs/dbraw/zinc/85/33/91/568853391.db2.gz UESQFEFYVOZIBZ-UHFFFAOYSA-N 0 0 422.550 5.509 50 10 HKCARN CCOc1ccc(NC(=O)c2c(NCc3cccc(OC)c3)sc3c2CCC3)cc1 ZINC000003065980 568853458 /nfs/dbraw/zinc/85/34/58/568853458.db2.gz BCWXKZJAIXOSAC-UHFFFAOYSA-N 0 0 422.550 5.509 50 10 HKCARN CCOC(=O)c1ccc(NC(=O)c2c3c(sc2NCc2ccc(C)o2)CCC3)cc1 ZINC000003065999 568853389 /nfs/dbraw/zinc/85/33/89/568853389.db2.gz WLVJTXOVLWAYEF-UHFFFAOYSA-N 0 0 424.522 5.179 50 10 HKCARN CCOc1ccccc1NC(=O)c1c(NCc2cccc(F)c2)sc2c1CCC2 ZINC000003066001 569322913 /nfs/dbraw/zinc/32/29/13/569322913.db2.gz WMPLLLDCCKVJFV-UHFFFAOYSA-N 0 0 410.514 5.639 50 10 HKCARN CCOc1ccccc1NC(=O)c1c(NCc2ccc(OC)cc2)sc2c1CCC2 ZINC000003066004 568853369 /nfs/dbraw/zinc/85/33/69/568853369.db2.gz FJSFOQWJRRUXMX-UHFFFAOYSA-N 0 0 422.550 5.509 50 10 HKCARN CCOc1ccccc1NC(=O)c1c(NCc2cccc(OC)c2)sc2c1CCC2 ZINC000003066009 569236265 /nfs/dbraw/zinc/23/62/65/569236265.db2.gz BACMGYDSXKSFJN-UHFFFAOYSA-N 0 0 422.550 5.509 50 10 HKCARN O=C1/C(=C\c2ccccc2)N=C(c2ccccc2)N1c1ccc(Br)cc1 ZINC000003082535 557445295 /nfs/dbraw/zinc/44/52/95/557445295.db2.gz JOBAELSXTMVIEP-HMMYKYKNSA-N 0 0 403.279 5.284 50 10 HKCARN O=C1/C(=C/c2ccccc2)N=C(c2ccccc2)N1c1ccc(Br)cc1 ZINC000003082536 557445297 /nfs/dbraw/zinc/44/52/97/557445297.db2.gz JOBAELSXTMVIEP-HKWRFOASSA-N 0 0 403.279 5.284 50 10 HKCARN CCc1ccc(NCN2C(=O)/C(=C/c3cccc(Cl)c3Cl)SC2=S)cc1 ZINC000003090496 558747987 /nfs/dbraw/zinc/74/79/87/558747987.db2.gz 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Cc1ccccc1C(=O)C[C@H](c1ccccc1)C1(Cl)C(=O)c2ccccc2C1=O ZINC000003123126 568727562 /nfs/dbraw/zinc/72/75/62/568727562.db2.gz GIUYTLHYEURICC-OAQYLSRUSA-N 0 0 402.877 5.408 50 10 HKCARN O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1ccccc1Cl ZINC000003152741 560886491 /nfs/dbraw/zinc/88/64/91/560886491.db2.gz MHSMLGAOTAEQSW-ZROIWOOFSA-N 0 0 410.745 5.508 50 10 HKCARN O=C1c2ccccc2-c2ncnc3ccc(Nc4ccc(Oc5ccccc5)cc4)c1c32 ZINC000003158197 560752122 /nfs/dbraw/zinc/75/21/22/560752122.db2.gz RHIWUCUHUBPYDU-UHFFFAOYSA-N 0 0 415.452 6.377 50 10 HKCARN CCN(Cc1ccccc1)c1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1 ZINC000003165858 560588491 /nfs/dbraw/zinc/58/84/91/560588491.db2.gz GESKKNIUPPEKKL-XQNSMLJCSA-N 0 0 400.453 5.197 50 10 HKCARN Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccccc2)cc1 ZINC000003168214 560733340 /nfs/dbraw/zinc/73/33/40/560733340.db2.gz ISBMDZHMLVBMSG-RCCKNPSSSA-N 0 0 417.306 5.592 50 10 HKCARN CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)SC1=S ZINC000003177270 560588765 /nfs/dbraw/zinc/58/87/65/560588765.db2.gz IMEFVOPLLUJFHN-SXGWCWSVSA-N 0 0 410.486 5.334 50 10 HKCARN CCN(CC)c1ccc(/C=C2/N=C(c3ccc(C(=O)c4ccccc4)cc3)OC2=O)cc1 ZINC000003182650 560886673 /nfs/dbraw/zinc/88/66/73/560886673.db2.gz CHUULZGFMHQZDK-HKOYGPOVSA-N 0 0 424.500 5.108 50 10 HKCARN Clc1ccc(-c2nn(-c3ccccc3)cc2C2Nc3cccc4cccc(c43)N2)cc1 ZINC000003186042 568860418 /nfs/dbraw/zinc/86/04/18/568860418.db2.gz XNIIRIJMRACHGY-UHFFFAOYSA-N 0 0 422.919 6.882 50 10 HKCARN C[C@H]1N(C)c2ccc([C@@H]3c4ccccc4C=CN3C(=O)c3ccccc3)cc2C1(C)C ZINC000003195024 568860912 /nfs/dbraw/zinc/86/09/12/568860912.db2.gz HKHFYQJRLZEXCN-NIYFSFCBSA-N 0 0 408.545 6.019 50 10 HKCARN Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S ZINC000003196026 568861029 /nfs/dbraw/zinc/86/10/29/568861029.db2.gz HNONPDFBPQOAEX-UNOMPAQXSA-N 0 0 422.487 5.569 50 10 HKCARN COc1ccc2c(C)cc(SCC(=O)c3cc(C)n(-c4ccccc4)c3C)nc2c1 ZINC000003198173 568861118 /nfs/dbraw/zinc/86/11/18/568861118.db2.gz LBQPENPYLQOAAC-UHFFFAOYSA-N 0 0 416.546 5.934 50 10 HKCARN Cc1cc(C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)c(C)n1-c1ccccc1 ZINC000003200315 568861294 /nfs/dbraw/zinc/86/12/94/568861294.db2.gz DDOXERWGIJKJQK-UHFFFAOYSA-N 0 0 421.585 5.911 50 10 HKCARN CN(C)c1ccc(/C=C2/SC(=O)N(CNc3cc(Cl)ccc3Cl)C2=O)cc1 ZINC000003202900 569323016 /nfs/dbraw/zinc/32/30/16/569323016.db2.gz NGVJOMLEXYUZJT-RQZCQDPDSA-N 0 0 422.337 5.165 50 10 HKCARN Cc1cc(-c2csc(N(c3ccccc3)c3ccccc3)n2)c(C)n1-c1ccccc1 ZINC000003207116 568861794 /nfs/dbraw/zinc/86/17/94/568861794.db2.gz ACPJEHFUQTYSID-UHFFFAOYSA-N 0 0 421.569 7.687 50 10 HKCARN COc1ccc(N(Cc2ccccc2O)C(=O)COc2ccc(C(C)C)c(C)c2)cc1 ZINC000003209466 568846540 /nfs/dbraw/zinc/84/65/40/568846540.db2.gz IAIWSRPWTKSTCW-UHFFFAOYSA-N 0 0 419.521 5.445 50 10 HKCARN Cc1ccc(C)c(-n2c(-c3ccc(Br)cc3)cc3c2CC(C)(C)CC3=O)c1 ZINC000003212113 569323131 /nfs/dbraw/zinc/32/31/31/569323131.db2.gz MMCFEHDGPJRMOY-UHFFFAOYSA-N 0 0 422.366 6.679 50 10 biogenic HKCARN Cc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2CC(C)(C)CC3=O)cc1C ZINC000003212132 568862123 /nfs/dbraw/zinc/86/21/23/568862123.db2.gz OYKKQXQHAKMAFT-UHFFFAOYSA-N 0 0 422.366 6.679 50 10 HKCARN CCCCCCc1cc2c(cc1OCC(=O)OCC)oc(=O)cc2-c1ccccc1 ZINC000003214488 557457155 /nfs/dbraw/zinc/45/71/55/557457155.db2.gz CZQKSUCMTFPANN-UHFFFAOYSA-N 0 0 408.494 5.525 50 10 HKCARN Cc1cc(Sc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Br)cc1 ZINC000003243486 557463473 /nfs/dbraw/zinc/46/34/73/557463473.db2.gz JVFLEEIIAJTBBY-UHFFFAOYSA-N 0 0 403.301 5.916 50 10 HKCARN Cc1cc(C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(F)cc1 ZINC000003247820 568867419 /nfs/dbraw/zinc/86/74/19/568867419.db2.gz BZSYZIPTCBPEMH-UHFFFAOYSA-N 0 0 422.500 5.326 50 10 HKCARN CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000003248689 568867529 /nfs/dbraw/zinc/86/75/29/568867529.db2.gz HCGZQVOUCOCPDE-MRXNPFEDSA-N 0 0 422.500 5.542 50 10 HKCARN CC[C@H](C)c1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000003248691 568867531 /nfs/dbraw/zinc/86/75/31/568867531.db2.gz HCGZQVOUCOCPDE-INIZCTEOSA-N 0 0 422.500 5.542 50 10 HKCARN Cc1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c(C)n1-c1ccccc1 ZINC000003250675 568867944 /nfs/dbraw/zinc/86/79/44/568867944.db2.gz MHNRSBXLFYLPNO-UHFFFAOYSA-N 0 0 417.292 5.196 50 10 HKCARN Cc1cc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c(C)n1-c1ccccc1 ZINC000003264056 560590934 /nfs/dbraw/zinc/59/09/34/560590934.db2.gz ZVOALXNGBWNWFD-UHFFFAOYSA-N 0 0 417.292 5.196 50 10 HKCARN Cc1cc(C(=O)COc2ccc(Br)cc2)c(C)n1-c1ccc(F)cc1 ZINC000003270149 568850074 /nfs/dbraw/zinc/85/00/74/568850074.db2.gz GEOVJMNTFUNFFJ-UHFFFAOYSA-N 0 0 402.263 5.257 50 10 HKCARN Cc1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccccc1 ZINC000003271328 568870466 /nfs/dbraw/zinc/87/04/66/568870466.db2.gz WRPOSJZXFIXRKT-SANMLTNESA-N 0 0 409.485 5.875 50 10 HKCARN Cc1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccccc1 ZINC000003271331 568870503 /nfs/dbraw/zinc/87/05/03/568870503.db2.gz WRPOSJZXFIXRKT-AREMUKBSSA-N 0 0 409.485 5.875 50 10 HKCARN Cc1cc(C(=O)COC(=O)c2ccc(C)cc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003283217 568871929 /nfs/dbraw/zinc/87/19/29/568871929.db2.gz IQRMNGSLMMEJHW-UHFFFAOYSA-N 0 0 413.420 5.044 50 10 HKCARN Cc1cc(C(=O)COC(=O)c2cccc(C)c2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003283456 568871973 /nfs/dbraw/zinc/87/19/73/568871973.db2.gz PPQABJBJNWHBPV-UHFFFAOYSA-N 0 0 413.420 5.044 50 10 HKCARN COc1ccc(N2CCN(c3ncnc4scc(-c5ccc(C)cc5)c43)CC2)cc1 ZINC000003298846 536704222 /nfs/dbraw/zinc/70/42/22/536704222.db2.gz VGXUBWBZIFNJAK-UHFFFAOYSA-N 0 0 416.550 5.002 50 10 HKCARN Cc1cc(C(=O)CSc2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000003319374 568853957 /nfs/dbraw/zinc/85/39/57/568853957.db2.gz NZJZFQFCXZXUAY-UHFFFAOYSA-N 0 0 418.331 5.971 50 10 HKCARN Cc1cc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccc1 ZINC000003319963 568880041 /nfs/dbraw/zinc/88/00/41/568880041.db2.gz FUHLSDPJCJJDQR-UHFFFAOYSA-N 0 0 417.292 5.196 50 10 HKCARN CCN(Cc1ccccc1)c1ccc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc1 ZINC000003322370 560592384 /nfs/dbraw/zinc/59/23/84/560592384.db2.gz VORHRATUNKWTOT-HZHRSRAPSA-N 0 0 416.908 5.711 50 10 HKCARN Cc1cc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)c(C)n1-c1ccccc1 ZINC000003325144 568881137 /nfs/dbraw/zinc/88/11/37/568881137.db2.gz UXPJLLMZNKDYFD-UHFFFAOYSA-N 0 0 418.537 5.078 50 10 HKCARN CCc1cccc2c(C(=O)COC(=O)c3ccc(-n4c(C)ccc4C)cc3)c[nH]c21 ZINC000003337187 560593553 /nfs/dbraw/zinc/59/35/53/560593553.db2.gz AEJSQNSFBHYZOV-UHFFFAOYSA-N 0 0 400.478 5.178 50 10 HKCARN FC(F)Oc1ccc(NC(=S)NNc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000003337476 568882961 /nfs/dbraw/zinc/88/29/61/568882961.db2.gz LSMCGBPDHVWMNV-UHFFFAOYSA-N 0 0 412.676 5.562 50 10 HKCARN Cc1cc(C(=O)COC(=O)c2ccccc2O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000003350633 568885673 /nfs/dbraw/zinc/88/56/73/568885673.db2.gz XBSDEHXMZMTPBG-UHFFFAOYSA-N 0 0 418.276 5.146 50 10 HKCARN CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000003350817 568885716 /nfs/dbraw/zinc/88/57/16/568885716.db2.gz OWUNMVDZZSHCCH-QGZVFWFLSA-N 0 0 404.510 5.403 50 10 HKCARN CC[C@H](C)c1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000003350820 568856733 /nfs/dbraw/zinc/85/67/33/568856733.db2.gz OWUNMVDZZSHCCH-KRWDZBQOSA-N 0 0 404.510 5.403 50 10 HKCARN COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCc2c(F)cccc2Cl)c1C ZINC000003363414 568888480 /nfs/dbraw/zinc/88/84/80/568888480.db2.gz WRAQAAHCBRFVEI-UHFFFAOYSA-N 0 0 422.283 5.906 50 10 HKCARN Cc1cc(-c2csc(NC(=O)CCc3ccccc3)n2)c(C)n1-c1ccc(F)cc1 ZINC000003383516 568892913 /nfs/dbraw/zinc/89/29/13/568892913.db2.gz XLYFRMJVHBSMND-UHFFFAOYSA-N 0 0 419.525 5.928 50 10 HKCARN Cc1ccc(C)n1-c1ccc(C(=O)OCCCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000003390386 568894320 /nfs/dbraw/zinc/89/43/20/568894320.db2.gz QYWCLTUFELLCRK-UHFFFAOYSA-N 0 0 418.537 5.595 50 10 HKCARN Cc1cc(C(=O)COc2cccc(F)c2)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 ZINC000003391171 568894477 /nfs/dbraw/zinc/89/44/77/568894477.db2.gz PVGMCEANNYJKEZ-UHFFFAOYSA-N 0 0 423.818 5.750 50 10 HKCARN Cc1cc(-c2csc(NC(=O)c3cccc(C)c3C)n2)c(C)n1-c1ccccc1 ZINC000003423481 568900163 /nfs/dbraw/zinc/90/01/63/568900163.db2.gz QHJQPAZZIGXVNA-UHFFFAOYSA-N 0 0 401.535 6.087 50 10 HKCARN Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)o2)c(C)n1-c1ccccc1 ZINC000003430168 568901411 /nfs/dbraw/zinc/90/14/11/568901411.db2.gz KGUCMSUCVMKUSP-UHFFFAOYSA-N 0 0 403.507 5.043 50 10 HKCARN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1 ZINC000003442538 568904087 /nfs/dbraw/zinc/90/40/87/568904087.db2.gz FDNAQSMHARESLM-UHFFFAOYSA-N 0 0 421.496 5.705 50 10 HKCARN COc1cccc(OCC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1 ZINC000003458322 569057221 /nfs/dbraw/zinc/05/72/21/569057221.db2.gz WCVIYNDRPWHDHU-UHFFFAOYSA-N 0 0 404.293 5.671 50 10 HKCARN Cc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccccc1 ZINC000003460722 557488474 /nfs/dbraw/zinc/48/84/74/557488474.db2.gz NKPFODQTAMPIAH-STZFKDTASA-N 0 0 404.560 5.808 50 10 HKCARN O=C1/C(=C/c2ccccc2Cl)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000003460756 557488323 /nfs/dbraw/zinc/48/83/23/557488323.db2.gz JZOBUKUXXRBIIU-AUWJEWJLSA-N 0 0 400.739 6.053 50 10 HKCARN CCCN1CCCc2cc(CN(C(=S)Nc3cc(C)ccc3C)[C@@H](C)CC)ccc21 ZINC000003585149 534915421 /nfs/dbraw/zinc/91/54/21/534915421.db2.gz KLLDFHWUCRRZPY-NRFANRHFSA-N 0 0 423.670 6.464 50 10 HKCARN CCCN1CCCc2cc(CN(C(=S)Nc3cc(C)ccc3C)[C@H](C)CC)ccc21 ZINC000003585155 534915601 /nfs/dbraw/zinc/91/56/01/534915601.db2.gz KLLDFHWUCRRZPY-OAQYLSRUSA-N 0 0 423.670 6.464 50 10 HKCARN CCCN1CCCc2cc(CN(C(=S)Nc3c(C)cccc3C)[C@@H](C)CC)ccc21 ZINC000003585174 534915595 /nfs/dbraw/zinc/91/55/95/534915595.db2.gz SEOBHRADMTVHJM-NRFANRHFSA-N 0 0 423.670 6.464 50 10 HKCARN CCCN1CCCc2cc(CN(C(=S)Nc3c(C)cccc3C)[C@H](C)CC)ccc21 ZINC000003585177 534916056 /nfs/dbraw/zinc/91/60/56/534916056.db2.gz SEOBHRADMTVHJM-OAQYLSRUSA-N 0 0 423.670 6.464 50 10 HKCARN CCCN1CCCc2cc(CN(C(=O)Nc3ccc(Cl)cc3)[C@@H](C)CC)ccc21 ZINC000003585196 534916171 /nfs/dbraw/zinc/91/61/71/534916171.db2.gz BHHWUIWVJTXVMV-SFHVURJKSA-N 0 0 413.993 6.335 50 10 HKCARN CCCN1CCCc2cc(CN(C(=O)Nc3ccc(Cl)cc3)[C@H](C)CC)ccc21 ZINC000003585200 534916154 /nfs/dbraw/zinc/91/61/54/534916154.db2.gz BHHWUIWVJTXVMV-GOSISDBHSA-N 0 0 413.993 6.335 50 10 HKCARN CCCN1CCCc2cc(CN(CCCOC)C(=O)Nc3ccc(C)c(C)c3)ccc21 ZINC000003585498 534915294 /nfs/dbraw/zinc/91/52/94/534915294.db2.gz MPUFWVAKELABSK-UHFFFAOYSA-N 0 0 423.601 5.537 50 10 HKCARN CCCCN1CCCc2cc(CN(C(=S)Nc3ccccc3C)[C@@H](C)CC)ccc21 ZINC000003585584 132266997 /nfs/dbraw/zinc/26/69/97/132266997.db2.gz XDSJIJKLEIAHQI-NRFANRHFSA-N 0 0 423.670 6.545 50 10 HKCARN CCCCN1CCCc2cc(CN(C(=S)Nc3ccccc3C)[C@H](C)CC)ccc21 ZINC000003585587 132266959 /nfs/dbraw/zinc/26/69/59/132266959.db2.gz XDSJIJKLEIAHQI-OAQYLSRUSA-N 0 0 423.670 6.545 50 10 HKCARN CCCCN1CCCc2cc(CN(C(=S)Nc3cccc(C)c3)[C@@H](C)CC)ccc21 ZINC000003585590 132266978 /nfs/dbraw/zinc/26/69/78/132266978.db2.gz XRIDALCWBYRSNY-NRFANRHFSA-N 0 0 423.670 6.545 50 10 HKCARN CCCCN1CCCc2cc(CN(C(=S)Nc3cccc(C)c3)[C@H](C)CC)ccc21 ZINC000003585592 132266957 /nfs/dbraw/zinc/26/69/57/132266957.db2.gz XRIDALCWBYRSNY-OAQYLSRUSA-N 0 0 423.670 6.545 50 10 HKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccc(C)c(C)c3)[C@@H](C)CC)ccc21 ZINC000003585600 534915268 /nfs/dbraw/zinc/91/52/68/534915268.db2.gz XNCMLLBQKNKCFT-NRFANRHFSA-N 0 0 423.670 6.464 50 10 HKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccc(C)c(C)c3)[C@H](C)CC)ccc21 ZINC000003585604 534915149 /nfs/dbraw/zinc/91/51/49/534915149.db2.gz XNCMLLBQKNKCFT-OAQYLSRUSA-N 0 0 423.670 6.464 50 10 HKCARN CCCN1CCCc2cc(CN(C(=S)Nc3cc(C)cc(C)c3)[C@@H](C)CC)ccc21 ZINC000003585614 534915728 /nfs/dbraw/zinc/91/57/28/534915728.db2.gz IVUWOAVFIKBKCR-NRFANRHFSA-N 0 0 423.670 6.464 50 10 HKCARN CCCN1CCCc2cc(CN(C(=S)Nc3cc(C)cc(C)c3)[C@H](C)CC)ccc21 ZINC000003585616 534915974 /nfs/dbraw/zinc/91/59/74/534915974.db2.gz IVUWOAVFIKBKCR-OAQYLSRUSA-N 0 0 423.670 6.464 50 10 HKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccc(C)cc3)[C@@H](C)CC)ccc21 ZINC000003585619 534915172 /nfs/dbraw/zinc/91/51/72/534915172.db2.gz UCIASRUJXHMOLB-FQEVSTJZSA-N 0 0 409.643 6.155 50 10 HKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccc(C)cc3)[C@H](C)CC)ccc21 ZINC000003585622 534916162 /nfs/dbraw/zinc/91/61/62/534916162.db2.gz UCIASRUJXHMOLB-HXUWFJFHSA-N 0 0 409.643 6.155 50 10 HKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccccc3CC)[C@@H](C)CC)ccc21 ZINC000003585631 534915654 /nfs/dbraw/zinc/91/56/54/534915654.db2.gz SKEVSQHWDOCOTB-FQEVSTJZSA-N 0 0 423.670 6.409 50 10 HKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccccc3CC)[C@H](C)CC)ccc21 ZINC000003585634 534915707 /nfs/dbraw/zinc/91/57/07/534915707.db2.gz SKEVSQHWDOCOTB-HXUWFJFHSA-N 0 0 423.670 6.409 50 10 HKCARN CCCN1CCCc2cc(CN(C(=S)Nc3cccc(CC)c3)[C@@H](C)CC)ccc21 ZINC000003585653 534915542 /nfs/dbraw/zinc/91/55/42/534915542.db2.gz OTZRCSZIKDXXTF-FQEVSTJZSA-N 0 0 423.670 6.409 50 10 HKCARN CCCN1CCCc2cc(CN(C(=S)Nc3cccc(CC)c3)[C@H](C)CC)ccc21 ZINC000003585656 534915203 /nfs/dbraw/zinc/91/52/03/534915203.db2.gz OTZRCSZIKDXXTF-HXUWFJFHSA-N 0 0 423.670 6.409 50 10 HKCARN CCN1CCCc2cc(CN(C(=S)Nc3cccc(C)c3C)C3CCCC3)ccc21 ZINC000003585786 132267104 /nfs/dbraw/zinc/26/71/04/132267104.db2.gz ZJMTXHHQARQMNB-UHFFFAOYSA-N 0 0 421.654 6.218 50 10 HKCARN CCN1CCCc2cc(CN(C(=S)Nc3cc(C)cc(C)c3)C3CCCC3)ccc21 ZINC000003585790 132267166 /nfs/dbraw/zinc/26/71/66/132267166.db2.gz YQAJNHUASDJLJR-UHFFFAOYSA-N 0 0 421.654 6.218 50 10 HKCARN CCN1CCCc2cc(CN(C(=S)Nc3cc(C)ccc3C)C3CCCC3)ccc21 ZINC000003585794 132267111 /nfs/dbraw/zinc/26/71/11/132267111.db2.gz QHPYWXBEAIRBGY-UHFFFAOYSA-N 0 0 421.654 6.218 50 10 HKCARN CCN1CCCc2cc(CN(C(=S)Nc3cccc(OC)c3)C3CCCC3)ccc21 ZINC000003586057 132267202 /nfs/dbraw/zinc/26/72/02/132267202.db2.gz DDAIYLFOGUAINV-UHFFFAOYSA-N 0 0 423.626 5.609 50 10 HKCARN CCN1CCCc2cc(CN(C(=S)Nc3ccccc3OC)C3CCCC3)ccc21 ZINC000003586067 132267122 /nfs/dbraw/zinc/26/71/22/132267122.db2.gz QBCBPNYGARVPDI-UHFFFAOYSA-N 0 0 423.626 5.609 50 10 HKCARN CCN1CCCc2cc(CN(C(=S)Nc3ccc(C)cc3C)C3CCCC3)ccc21 ZINC000003586072 132267197 /nfs/dbraw/zinc/26/71/97/132267197.db2.gz NXNRKXJWWMKSPM-UHFFFAOYSA-N 0 0 421.654 6.218 50 10 HKCARN CCN1CCCc2cc(CN(C(=S)Nc3ccccc3C)C3CCCC3)ccc21 ZINC000003586076 132267170 /nfs/dbraw/zinc/26/71/70/132267170.db2.gz GMTZBOFPZTZXQK-UHFFFAOYSA-N 0 0 407.627 5.909 50 10 HKCARN CCN1CCCc2cc(CN(CCCOC)C(=S)Nc3cccc(C)c3)ccc21 ZINC000003586081 132267203 /nfs/dbraw/zinc/26/72/03/132267203.db2.gz LOJKDCGEDRSNSY-UHFFFAOYSA-N 0 0 411.615 5.003 50 10 HKCARN CCCN1CCCc2cc(CN(C(=S)Nc3cccc(C)c3)[C@@H](C)CC)ccc21 ZINC000003586152 534915799 /nfs/dbraw/zinc/91/57/99/534915799.db2.gz NVQLBKXHSHLQQB-FQEVSTJZSA-N 0 0 409.643 6.155 50 10 HKCARN CCCN1CCCc2cc(CN(C(=S)Nc3cccc(C)c3)[C@H](C)CC)ccc21 ZINC000003586156 534915339 /nfs/dbraw/zinc/91/53/39/534915339.db2.gz NVQLBKXHSHLQQB-HXUWFJFHSA-N 0 0 409.643 6.155 50 10 HKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccccc3C)[C@@H](C)CC)ccc21 ZINC000003586160 534915664 /nfs/dbraw/zinc/91/56/64/534915664.db2.gz ABGOXMAJLJCAEQ-FQEVSTJZSA-N 0 0 409.643 6.155 50 10 HKCARN CCCN1CCCc2cc(CN(C(=S)Nc3ccccc3C)[C@H](C)CC)ccc21 ZINC000003586163 534915252 /nfs/dbraw/zinc/91/52/52/534915252.db2.gz ABGOXMAJLJCAEQ-HXUWFJFHSA-N 0 0 409.643 6.155 50 10 HKCARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)/C=C/c3ccccc3Cl)cc12 ZINC000003626317 132267297 /nfs/dbraw/zinc/26/72/97/132267297.db2.gz OYYOAIKNBTYXHP-FMIVXFBMSA-N 0 0 405.929 5.839 50 10 HKCARN Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccc(Cl)c3Cl)c(O)c2n1 ZINC000003634558 557495426 /nfs/dbraw/zinc/49/54/26/557495426.db2.gz XFEWMVHDNGEETH-OAQYLSRUSA-N 0 0 410.304 6.152 50 10 HKCARN Cc1ccc2ccc([C@@H](Nc3ccccn3)c3cccc(Cl)c3Cl)c(O)c2n1 ZINC000003634563 557495362 /nfs/dbraw/zinc/49/53/62/557495362.db2.gz XFEWMVHDNGEETH-NRFANRHFSA-N 0 0 410.304 6.152 50 10 HKCARN CCCCCOC(=O)c1c2cc3ccccc3cn2c2c1C(=O)c1ccccc1C2=O ZINC000003635767 557495766 /nfs/dbraw/zinc/49/57/66/557495766.db2.gz TXOYKTYBTMDVCE-UHFFFAOYSA-N 0 0 411.457 5.215 50 10 HKCARN CCOc1cc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)ccc1OC ZINC000003640831 557495997 /nfs/dbraw/zinc/49/59/97/557495997.db2.gz HZFXBOSCUCIPSU-QHCPKHFHSA-N 0 0 415.493 5.253 50 10 HKCARN CCOc1cc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)ccc1OC ZINC000003640837 557496040 /nfs/dbraw/zinc/49/60/40/557496040.db2.gz HZFXBOSCUCIPSU-HSZRJFAPSA-N 0 0 415.493 5.253 50 10 HKCARN O=C(COc1ccc(C2Nc3cccc4cccc(c43)N2)cc1)Nc1ccc(F)cc1 ZINC000003641615 568922062 /nfs/dbraw/zinc/92/20/62/568922062.db2.gz CYMXYHXOZKAVML-UHFFFAOYSA-N 0 0 413.452 5.533 50 10 HKCARN O=C(COc1cccc(C2Nc3cccc4cccc(c43)N2)c1)Nc1ccc(F)cc1 ZINC000003641621 568922017 /nfs/dbraw/zinc/92/20/17/568922017.db2.gz KEHZBQNWQSXKEY-UHFFFAOYSA-N 0 0 413.452 5.533 50 10 HKCARN Cc1cccc(NC(=O)COc2ccc(C3Nc4cccc5cccc(c54)N3)cc2)c1 ZINC000003641643 568922029 /nfs/dbraw/zinc/92/20/29/568922029.db2.gz GFSBPBHXQQDFJX-UHFFFAOYSA-N 0 0 409.489 5.702 50 10 HKCARN Cc1ccc(NC(=O)COc2ccc(C3Nc4cccc5cccc(c54)N3)cc2)cc1 ZINC000003641644 568922118 /nfs/dbraw/zinc/92/21/18/568922118.db2.gz FNCKSZQYAUHVBS-UHFFFAOYSA-N 0 0 409.489 5.702 50 10 HKCARN Cc1ccc(NC(=O)COc2cccc(C3Nc4cccc5cccc(c54)N3)c2)cc1 ZINC000003641647 568922081 /nfs/dbraw/zinc/92/20/81/568922081.db2.gz FXHOJJHBGMFWTQ-UHFFFAOYSA-N 0 0 409.489 5.702 50 10 HKCARN Clc1ccc(OCCCc2nc(-c3ccc(-n4cccc4)cc3)no2)c(Cl)c1 ZINC000003642555 568865754 /nfs/dbraw/zinc/86/57/54/568865754.db2.gz BGBBITAWGYJHCI-UHFFFAOYSA-N 0 0 414.292 5.846 50 10 HKCARN Cc1ccc(OCCn2cc(/C=C3/C(=O)Nc4ccccc43)c3ccccc32)cc1C ZINC000003648185 568922441 /nfs/dbraw/zinc/92/24/41/568922441.db2.gz HPJBXOSIWYCFAK-LFVJCYFKSA-N 0 0 408.501 5.830 50 10 HKCARN O=C1Nc2ccccc2/C1=C\c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 ZINC000003648198 568922434 /nfs/dbraw/zinc/92/24/34/568922434.db2.gz XYHPRDFBLAXXBN-PXLXIMEGSA-N 0 0 414.892 5.866 50 10 HKCARN COc1ccc(OCCn2cc(/C=C3/C(=O)Nc4ccccc43)c3ccccc32)cc1 ZINC000003648202 568922374 /nfs/dbraw/zinc/92/23/74/568922374.db2.gz YHRVRIZEPBTUAF-XQNSMLJCSA-N 0 0 410.473 5.222 50 10 HKCARN Cc1ccc(C)c(OCCn2cc(/C=C3/C(=O)Nc4ccccc43)c3ccccc32)c1 ZINC000003648222 568922430 /nfs/dbraw/zinc/92/24/30/568922430.db2.gz NWASTWKKYSLWMH-XQNSMLJCSA-N 0 0 408.501 5.830 50 10 HKCARN Cc1ccc(OCCn2cc(/C=C3\c4ccccc4N(C)C3=O)c3ccccc32)cc1C ZINC000003648311 568922379 /nfs/dbraw/zinc/92/23/79/568922379.db2.gz TXNMLKHROGKBMH-KOEQRZSOSA-N 0 0 422.528 5.854 50 10 HKCARN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)Nc4cc(Cl)ccc43)c2C)cc1 ZINC000003648613 568922459 /nfs/dbraw/zinc/92/24/59/568922459.db2.gz VRNHVUHQCAWCDY-CIAFOILYSA-N 0 0 420.896 5.417 50 10 HKCARN O=C1Nc2cc(Cl)ccc2/C1=C\c1cn(CCOc2ccccc2)c2ccccc12 ZINC000003648620 568922476 /nfs/dbraw/zinc/92/24/76/568922476.db2.gz FDQZJHMVJCSMMF-HYARGMPZSA-N 0 0 414.892 5.866 50 10 HKCARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)/C=C/c3cccc(Cl)c3)cc12 ZINC000003648716 132267703 /nfs/dbraw/zinc/26/77/03/132267703.db2.gz VDLOYHPPGYEXEA-DHZHZOJOSA-N 0 0 405.929 5.839 50 10 HKCARN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000003652644 568922700 /nfs/dbraw/zinc/92/27/00/568922700.db2.gz OOEQVQDTXPKCQY-WSDLNYQXSA-N 0 0 419.912 5.462 50 10 HKCARN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000003652730 557496963 /nfs/dbraw/zinc/49/69/63/557496963.db2.gz RCCLCIMZOLGWHT-CIAFOILYSA-N 0 0 419.912 5.462 50 10 HKCARN CCCCc1ccc(NCN2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000003657155 568923078 /nfs/dbraw/zinc/92/30/78/568923078.db2.gz AZBZYJKVZOCXPJ-QNGOZBTKSA-N 0 0 409.555 5.201 50 10 HKCARN Cc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000003659065 568923289 /nfs/dbraw/zinc/92/32/89/568923289.db2.gz QIPMQWGEVNNSKD-MTJSOVHGSA-N 0 0 405.885 5.153 50 10 HKCARN Nc1ccc(Oc2cc(Oc3ccc4oc5ccccc5c4c3)cc([N+](=O)[O-])c2)cc1 ZINC000003660844 568867180 /nfs/dbraw/zinc/86/71/80/568867180.db2.gz OOHIRRABIVQIFW-UHFFFAOYSA-N 0 0 412.401 6.661 50 10 HKCARN Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)c(C)n1-c1ccc(C)cc1 ZINC000003667680 568867191 /nfs/dbraw/zinc/86/71/91/568867191.db2.gz NOGZJHUXXFLFJP-JCMHNJIXSA-N 0 0 407.583 5.135 50 10 HKCARN CC1(C)Cc2c(cc(-c3ccccc3)n2-c2ccc(Cl)c(C(F)(F)F)c2)C(=O)C1 ZINC000003671003 568867452 /nfs/dbraw/zinc/86/74/52/568867452.db2.gz BHRVZJPVMSKAOB-UHFFFAOYSA-N 0 0 417.858 6.972 50 10 biogenic HKCARN FC(F)(F)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000003671591 557497705 /nfs/dbraw/zinc/49/77/05/557497705.db2.gz SRKNHXLBHAHSOC-VKJFTORMSA-N 0 0 410.233 6.174 50 10 HKCARN FC(F)(F)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000003671592 568867530 /nfs/dbraw/zinc/86/75/30/568867530.db2.gz JKZXWJQNMSFOGV-FHSNZYRGSA-N 0 0 400.227 6.719 50 10 HKCARN CN(C)c1ccc(CN(Cc2ccco2)C(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000003672475 557498088 /nfs/dbraw/zinc/49/80/88/557498088.db2.gz ZKUZYWWLHJNXLY-UHFFFAOYSA-N 0 0 417.937 5.537 50 10 HKCARN CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(C)c(C)c1 ZINC000003672725 557498106 /nfs/dbraw/zinc/49/81/06/557498106.db2.gz VGFTUAWFFDLLAB-AREMUKBSSA-N 0 0 412.537 5.297 50 10 HKCARN CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(C)c(C)c1 ZINC000003672726 557497962 /nfs/dbraw/zinc/49/79/62/557497962.db2.gz VGFTUAWFFDLLAB-SANMLTNESA-N 0 0 412.537 5.297 50 10 HKCARN COc1cccc(Nc2cc(N3CCCC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000003741817 568925605 /nfs/dbraw/zinc/92/56/05/568925605.db2.gz WSUVREFCOXBRHV-UHFFFAOYSA-N 0 0 411.461 5.392 50 10 HKCARN CN(C)c1ccc(Nc2cc(N3CCCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000003741825 568925520 /nfs/dbraw/zinc/92/55/20/568925520.db2.gz GAQQNRFLCOQARI-UHFFFAOYSA-N 0 0 424.504 5.449 50 10 HKCARN O=C1c2ccccc2-c2onc3c2c1c(Nc1cccc(F)c1)cc3N1CCCCC1 ZINC000003741986 132268485 /nfs/dbraw/zinc/26/84/85/132268485.db2.gz ZADCDWXURGPWOK-UHFFFAOYSA-N 0 0 413.452 5.912 50 10 HKCARN O=C1c2ccccc2-c2onc3c2c1c(Nc1ccc(F)cc1)cc3N1CCCCC1 ZINC000003741987 132268835 /nfs/dbraw/zinc/26/88/35/132268835.db2.gz PECGOIVSYSFAOE-UHFFFAOYSA-N 0 0 413.452 5.912 50 10 HKCARN O=C1/C(=C\c2ccc(-c3ccccc3)o2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000003764459 568868020 /nfs/dbraw/zinc/86/80/20/568868020.db2.gz ZWYCBNKVEHZDHK-WOJGMQOQSA-N 0 0 415.898 6.145 50 10 HKCARN CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O ZINC000003768796 568868302 /nfs/dbraw/zinc/86/83/02/568868302.db2.gz SBARXEAZSITTDK-LFIBNONCSA-N 0 0 420.353 5.254 50 10 HKCARN CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000003768828 568868251 /nfs/dbraw/zinc/86/82/51/568868251.db2.gz YOEGLSYSOSELQB-DEDYPNTBSA-N 0 0 413.564 5.507 50 10 HKCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OC ZINC000003768979 568868266 /nfs/dbraw/zinc/86/82/66/568868266.db2.gz VWBBHIJMRFHHAD-RQZCQDPDSA-N 0 0 423.918 5.292 50 10 HKCARN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000003769027 568868190 /nfs/dbraw/zinc/86/81/90/568868190.db2.gz OVGKXNVIPIRMAK-WOJGMQOQSA-N 0 0 420.962 5.731 50 10 HKCARN Cc1ccccc1N1C(=O)/C(=C/c2c3ccccc3cc3ccccc32)SC1=S ZINC000003769035 568926124 /nfs/dbraw/zinc/92/61/24/568926124.db2.gz DAZSZRBFIVCNAX-HAHDFKILSA-N 0 0 411.551 6.707 50 10 HKCARN CC[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000003769489 568868200 /nfs/dbraw/zinc/86/82/00/568868200.db2.gz HGCWZMJVBZAOTK-SGEFVQMOSA-N 0 0 421.946 6.062 50 10 HKCARN CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000003769491 568868198 /nfs/dbraw/zinc/86/81/98/568868198.db2.gz HGCWZMJVBZAOTK-NNLQFVHNSA-N 0 0 421.946 6.062 50 10 HKCARN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000003771144 568868205 /nfs/dbraw/zinc/86/82/05/568868205.db2.gz FFASMLFJEQLLJW-UHFFFAOYSA-N 0 0 412.869 5.063 50 10 HKCARN O=C1OC2(CCCC2)OC(=O)C1=Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000003771146 568868289 /nfs/dbraw/zinc/86/82/89/568868289.db2.gz QWJDNTFUTVEYBA-UHFFFAOYSA-N 0 0 414.457 5.173 50 10 HKCARN CC(C)(C)C1(C)OC(=O)C(=Cc2cccc(OCc3ccccc3Cl)c2)C(=O)O1 ZINC000003771152 557498599 /nfs/dbraw/zinc/49/85/99/557498599.db2.gz QZDSYKGGGNNYQF-UHFFFAOYSA-N 0 0 414.885 5.165 50 10 HKCARN CC(C)(C)C1(C)OC(=O)C(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)O1 ZINC000003772331 568868232 /nfs/dbraw/zinc/86/82/32/568868232.db2.gz JUMUXIIBILAKQH-UHFFFAOYSA-N 0 0 421.468 5.074 50 10 HKCARN Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000003861500 557501395 /nfs/dbraw/zinc/50/13/95/557501395.db2.gz TVRGPOFMYCMNRB-UHFFFAOYSA-N 0 0 418.496 6.566 50 10 biogenic HKCARN Cc1nn2c3ccccc3n(C)c2c1/N=N/c1nc2ccccc2n1Cc1ccccc1 ZINC000003876485 557502070 /nfs/dbraw/zinc/50/20/70/557502070.db2.gz ZJIPBTCZYCUAOO-BYYHNAKLSA-N 0 0 419.492 5.948 50 10 HKCARN CC(=O)N(CC[C@]1(Cc2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 ZINC000003999265 568931846 /nfs/dbraw/zinc/93/18/46/568931846.db2.gz SUKYGHHMICKDFC-HHHXNRCGSA-N 0 0 422.613 5.309 50 10 biogenic HKCARN CC(=O)N(CC[C@@]1(Cc2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 ZINC000003999266 568931911 /nfs/dbraw/zinc/93/19/11/568931911.db2.gz SUKYGHHMICKDFC-MHZLTWQESA-N 0 0 422.613 5.309 50 10 biogenic HKCARN CC(=O)N(CC[C@]1(c2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 ZINC000003999270 568931897 /nfs/dbraw/zinc/93/18/97/568931897.db2.gz IWHXLLSJJIZVCM-SANMLTNESA-N 0 0 408.586 5.018 50 10 biogenic HKCARN CC(=O)N(CC[C@@]1(c2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 ZINC000003999271 568931892 /nfs/dbraw/zinc/93/18/92/568931892.db2.gz IWHXLLSJJIZVCM-AREMUKBSSA-N 0 0 408.586 5.018 50 10 biogenic HKCARN CC(=O)N(/C=C/C=C/C=C1/SC(=S)N(c2ccccc2)C1=O)c1ccccc1 ZINC000004013594 557505098 /nfs/dbraw/zinc/50/50/98/557505098.db2.gz GFUMNEQPQSXELK-OGASSDKTSA-N 0 0 406.532 5.058 50 10 HKCARN Cc1ccccc1/N=N/c1ccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c(C)c1 ZINC000004016540 568933582 /nfs/dbraw/zinc/93/35/82/568933582.db2.gz FACJWOZXDZHKIB-DCTYMBCZSA-N 0 0 413.565 7.660 50 10 HKCARN Cc1ccccc1/N=N/c1ccc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c(C)c1 ZINC000004016541 568933761 /nfs/dbraw/zinc/93/37/61/568933761.db2.gz FACJWOZXDZHKIB-FUEDUDHMSA-N 0 0 413.565 7.660 50 10 HKCARN CCCCc1ccc(C(=O)Nc2ccc(Cl)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000004020109 557505587 /nfs/dbraw/zinc/50/55/87/557505587.db2.gz MBKHWABDTAVEPZ-UHFFFAOYSA-N 0 0 417.892 5.710 50 10 HKCARN CC[C@@H](O)c1ccc(Oc2ccc3noc4c3c2C(=O)c2ccccc2-4)c(OC)c1 ZINC000004027939 568934086 /nfs/dbraw/zinc/93/40/86/568934086.db2.gz MMQFGDDRJDGHHV-QGZVFWFLSA-N 0 0 401.418 5.284 50 10 biogenic HKCARN CCCCCC1CCC(c2nnc3n2N=C(c2cc(C)c(O)c(C)c2)CS3)CC1 ZINC000004036594 568935575 /nfs/dbraw/zinc/93/55/75/568935575.db2.gz BWDITNJGCVOGCS-UHFFFAOYSA-N 0 0 412.603 5.813 50 10 HKCARN Cc1cccc(NN=C2C=C(C(=O)Nc3ccccc3N(C)C)C(=O)c3ccccc32)c1 ZINC000004044749 557507511 /nfs/dbraw/zinc/50/75/11/557507511.db2.gz UREUPLZDGBTWAZ-ZQHSETAFSA-N 0 0 424.504 6.588 50 10 HKCARN CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=C/c1ccc(N(C)C)cc1 ZINC000004046342 557507752 /nfs/dbraw/zinc/50/77/52/557507752.db2.gz PPRRPBWYTHDAKP-XDHOZWIPSA-N 0 0 422.941 5.336 50 10 HKCARN CCC(/C=C1\Sc2ccc(OC)cc2N1CC)=C1\SC(=S)N(CC)C1=O ZINC000004048097 568880376 /nfs/dbraw/zinc/88/03/76/568880376.db2.gz HBJHZLQRDYRFQY-OGLSOCIUSA-N 0 0 406.598 5.013 50 10 HKCARN CCC(/C=C1\Sc2ccc(OC)cc2N1CC)=C1\C(C)=NN(c2ccccc2)C1=O ZINC000004048111 568880359 /nfs/dbraw/zinc/88/03/59/568880359.db2.gz SYCVVGKPMRQXDX-FONMMBQYSA-N 0 0 419.550 5.598 50 10 HKCARN Cc1cc(C(=O)C(F)(F)F)c(C)n1-c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000004054604 568880875 /nfs/dbraw/zinc/88/08/75/568880875.db2.gz QOULCPDOQXKBLW-UHFFFAOYSA-N 0 0 404.363 5.231 50 10 HKCARN CN(C)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(C)C)cc3)c3ccccc3n2)cc1 ZINC000004058738 560598186 /nfs/dbraw/zinc/59/81/86/560598186.db2.gz JYZURQWLRUTRQE-KAVGSWPWSA-N 0 0 419.572 6.708 50 10 HKCARN Cc1c(Nc2ccccc2C(=O)c2ccccc2)nc2ccccc2c1-c1ccccc1 ZINC000004058841 557507937 /nfs/dbraw/zinc/50/79/37/557507937.db2.gz OAAKBJULNHHCFS-UHFFFAOYSA-N 0 0 414.508 7.185 50 10 HKCARN CCN(CC)c1ccc(/C=C/c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1 ZINC000004059080 568880884 /nfs/dbraw/zinc/88/08/84/568880884.db2.gz UVEIBRMWSYNMMX-FOCLMDBBSA-N 0 0 404.557 7.432 50 10 HKCARN CCCN(CCC)c1ccc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)N=C2C)cc1 ZINC000004063528 568937320 /nfs/dbraw/zinc/93/73/20/568937320.db2.gz SSPZLDIKHCXSSK-JCMHNJIXSA-N 0 0 409.961 6.081 50 10 HKCARN Cc1ccc(N2C(=O)/C(=C3/Sc4ccc(Cl)cc4N3C)SC2=S)cc1 ZINC000004063698 568937417 /nfs/dbraw/zinc/93/74/17/568937417.db2.gz YBDAOCXWWLHQMM-ICFOKQHNSA-N 0 0 404.969 5.424 50 10 HKCARN Fc1ccccc1[C@@H]1[C@@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@H]1CC=C[C@H]31 ZINC000004063808 132270619 /nfs/dbraw/zinc/27/06/19/132270619.db2.gz FIVHFHLIFPNXEH-IYWKJSDCSA-N 0 0 422.341 6.483 50 10 HKCARN Fc1ccccc1[C@H]1[C@@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@H]1CC=C[C@H]31 ZINC000004063809 132270584 /nfs/dbraw/zinc/27/05/84/132270584.db2.gz FIVHFHLIFPNXEH-BQIOTCGZSA-N 0 0 422.341 6.483 50 10 HKCARN Fc1ccccc1[C@@H]1[C@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@H]1CC=C[C@H]31 ZINC000004063811 132270581 /nfs/dbraw/zinc/27/05/81/132270581.db2.gz FIVHFHLIFPNXEH-VJUIFLGMSA-N 0 0 422.341 6.483 50 10 HKCARN Fc1ccccc1[C@H]1[C@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@H]1CC=C[C@H]31 ZINC000004063812 132270523 /nfs/dbraw/zinc/27/05/23/132270523.db2.gz FIVHFHLIFPNXEH-UECAXCCHSA-N 0 0 422.341 6.483 50 10 HKCARN CCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000004070706 568937720 /nfs/dbraw/zinc/93/77/20/568937720.db2.gz ZMXNLVGRNPHSBL-SSZFMOIBSA-N 0 0 411.976 5.055 50 10 HKCARN O=C(c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21)N1CCCC1 ZINC000004078321 557510195 /nfs/dbraw/zinc/51/01/95/557510195.db2.gz YHWYGILACMCKTA-QYWGDWMGSA-N 0 0 413.348 6.056 50 10 HKCARN O=C(c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21)N1CCCC1 ZINC000004078340 557510235 /nfs/dbraw/zinc/51/02/35/557510235.db2.gz YHWYGILACMCKTA-MRUHUIDDSA-N 0 0 413.348 6.056 50 10 HKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000004078787 568882956 /nfs/dbraw/zinc/88/29/56/568882956.db2.gz ODYFAHMKVUNYEA-WCWDXBQESA-N 0 0 402.435 6.477 50 10 HKCARN FC(F)(F)Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000004081956 557510676 /nfs/dbraw/zinc/51/06/76/557510676.db2.gz SRKNHXLBHAHSOC-HDMKZQKVSA-N 0 0 410.233 6.174 50 10 HKCARN FC(F)(F)Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000004081958 557510756 /nfs/dbraw/zinc/51/07/56/557510756.db2.gz SRKNHXLBHAHSOC-DAYGRLMNSA-N 0 0 410.233 6.174 50 10 HKCARN FC(F)(F)Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000004081960 557510784 /nfs/dbraw/zinc/51/07/84/557510784.db2.gz SRKNHXLBHAHSOC-RLFYNMQTSA-N 0 0 410.233 6.174 50 10 HKCARN FC(F)(F)Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000004081962 557511040 /nfs/dbraw/zinc/51/10/40/557511040.db2.gz SRKNHXLBHAHSOC-MPGHIAIKSA-N 0 0 410.233 6.174 50 10 HKCARN FC(F)(F)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000004081971 568939136 /nfs/dbraw/zinc/93/91/36/568939136.db2.gz JKZXWJQNMSFOGV-SNUQEOBHSA-N 0 0 400.227 6.719 50 10 HKCARN Cc1cccc(N2C(=O)/C(=C3/Sc4ccc(Cl)cc4N3C)SC2=S)c1 ZINC000004088718 568941371 /nfs/dbraw/zinc/94/13/71/568941371.db2.gz RQFUNKQGLREZAC-ICFOKQHNSA-N 0 0 404.969 5.424 50 10 HKCARN CN1c2cc(Cl)ccc2S/C1=C1\SC(=S)N(CCc2ccccc2)C1=O ZINC000004088925 568941505 /nfs/dbraw/zinc/94/15/05/568941505.db2.gz CDQGWFOZYKXOFI-VLGSPTGOSA-N 0 0 418.996 5.154 50 10 HKCARN Cc1cc(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000004105378 568943073 /nfs/dbraw/zinc/94/30/73/568943073.db2.gz XDRHZKUTPSUMCQ-UHFFFAOYSA-N 0 0 420.818 5.588 50 10 HKCARN CN1c2cc(Cl)ccc2S/C1=C1\SC(=S)N(c2ccc(F)cc2)C1=O ZINC000004106160 568943193 /nfs/dbraw/zinc/94/31/93/568943193.db2.gz ZKLWNRAIXBCVFA-PEZBUJJGSA-N 0 0 408.932 5.255 50 10 HKCARN Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1Cl ZINC000004106871 557513959 /nfs/dbraw/zinc/51/39/59/557513959.db2.gz LSJYPAXOTKJBBQ-DEDYPNTBSA-N 0 0 408.910 5.988 50 10 HKCARN Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1cc(Cl)ccc1C ZINC000004106874 557514007 /nfs/dbraw/zinc/51/40/07/557514007.db2.gz IAFXABXGDQSUGV-XKZIYDEJSA-N 0 0 403.913 5.862 50 10 HKCARN Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000004106911 557514015 /nfs/dbraw/zinc/51/40/15/557514015.db2.gz CZHVRZKCEQHIMJ-HYARGMPZSA-N 0 0 402.519 5.952 50 10 HKCARN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000004106915 557513980 /nfs/dbraw/zinc/51/39/80/557513980.db2.gz OUOVPUAGADKNTB-HYARGMPZSA-N 0 0 418.587 6.117 50 10 HKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)SC1=S ZINC000004107248 568943418 /nfs/dbraw/zinc/94/34/18/568943418.db2.gz YSPKQKWJPKHKKR-QHKYSRAXSA-N 0 0 418.996 5.673 50 10 HKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)SC1=S ZINC000004107252 568943432 /nfs/dbraw/zinc/94/34/32/568943432.db2.gz YSPKQKWJPKHKKR-RKQLKTQESA-N 0 0 418.996 5.673 50 10 HKCARN Cn1c2ccccc2c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc21 ZINC000004109194 568943909 /nfs/dbraw/zinc/94/39/09/568943909.db2.gz WJJKXXPHOFNOOL-STZFKDTASA-N 0 0 400.528 5.737 50 10 HKCARN COc1ccccc1NC(=O)c1c2c(sc1NCc1cccnc1)C[C@H](C)CC2 ZINC000004116301 557515624 /nfs/dbraw/zinc/51/56/24/557515624.db2.gz HBVUOGIXHMAPSL-OAHLLOKOSA-N 0 0 407.539 5.141 50 10 HKCARN COc1ccccc1NC(=O)c1c2c(sc1NCc1cccnc1)C[C@@H](C)CC2 ZINC000004116303 557515631 /nfs/dbraw/zinc/51/56/31/557515631.db2.gz HBVUOGIXHMAPSL-HNNXBMFYSA-N 0 0 407.539 5.141 50 10 HKCARN CCCN(CCC)c1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1 ZINC000004118955 557516230 /nfs/dbraw/zinc/51/62/30/557516230.db2.gz BZWVIQYEHBFEQL-JAIQZWGSSA-N 0 0 418.871 5.589 50 10 HKCARN O=C1c2ccccc2C(=O)C1(Nc1ccc2c(c1)oc1ccccc12)c1ccccc1 ZINC000004119144 557516238 /nfs/dbraw/zinc/51/62/38/557516238.db2.gz WQVDFQYVJZSHIB-UHFFFAOYSA-N 0 0 403.437 5.973 50 10 HKCARN O=c1c2ccccc2c2nc3ccccc3[nH]c-2c1-c1ccc(Br)cc1 ZINC000004119433 557516234 /nfs/dbraw/zinc/51/62/34/557516234.db2.gz WFIOFFQDCZTTDY-UHFFFAOYSA-N 0 0 401.263 6.071 50 10 HKCARN CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000004132054 132272140 /nfs/dbraw/zinc/27/21/40/132272140.db2.gz DDEKIEWNLHPDSL-KRKXHZOKSA-N 0 0 412.489 5.692 50 10 HKCARN CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4C=CSC4=NC3=O)c2C)cc1 ZINC000004150663 568946933 /nfs/dbraw/zinc/94/69/33/568946933.db2.gz RPRUOEQNNOUZFB-GRPAYEGISA-N 0 0 404.539 5.385 50 10 HKCARN CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4C=CSC4=NC3=O)c2C)cc1 ZINC000004150665 568946894 /nfs/dbraw/zinc/94/68/94/568946894.db2.gz RPRUOEQNNOUZFB-HNISDHJISA-N 0 0 404.539 5.385 50 10 HKCARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000004150677 568946921 /nfs/dbraw/zinc/94/69/21/568946921.db2.gz BQBRQZGQYPOBFE-VROQGOMBSA-N 0 0 410.930 5.223 50 10 HKCARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000004150679 568946991 /nfs/dbraw/zinc/94/69/91/568946991.db2.gz NONAKSDYPMELNH-VROQGOMBSA-N 0 0 410.930 5.223 50 10 HKCARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1cccc(Cl)c1C ZINC000004150681 568946978 /nfs/dbraw/zinc/94/69/78/568946978.db2.gz ORVLVTPGGHHARR-GICBFTDPSA-N 0 0 410.930 5.223 50 10 HKCARN Cc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000004150684 568946943 /nfs/dbraw/zinc/94/69/43/568946943.db2.gz SVZLWEOKBXRIRO-UOYIJQEASA-N 0 0 410.930 5.223 50 10 HKCARN Cc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000004150685 568946903 /nfs/dbraw/zinc/94/69/03/568946903.db2.gz ZEQWMPIFZQSZHA-UOYIJQEASA-N 0 0 410.930 5.223 50 10 HKCARN Cc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1C ZINC000004150687 568946927 /nfs/dbraw/zinc/94/69/27/568946927.db2.gz IXPVPOSHMSMYLW-NJOZZACWSA-N 0 0 410.930 5.223 50 10 HKCARN CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3\C(=N)N4C(C)=CSC4=NC3=O)c2C)cc1 ZINC000004150693 568946985 /nfs/dbraw/zinc/94/69/85/568946985.db2.gz SUHSGBIPOVAKSM-HUIYXGKGSA-N 0 0 418.566 5.775 50 10 HKCARN CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3\C(=N)N4C(C)=CSC4=NC3=O)c2C)cc1 ZINC000004150695 568947202 /nfs/dbraw/zinc/94/72/02/568947202.db2.gz SUHSGBIPOVAKSM-UZLPTANZSA-N 0 0 418.566 5.775 50 10 HKCARN CCOc1ccccc1NC(=O)c1c(NCc2cccs2)sc2c1CCCC2 ZINC000004155142 557521060 /nfs/dbraw/zinc/52/10/60/557521060.db2.gz ZVXZLQKYNDFZRT-UHFFFAOYSA-N 0 0 412.580 5.952 50 10 HKCARN COc1ccc(Cl)cc1NC(=O)c1c(NCc2cccs2)sc2c1CCC2 ZINC000004155145 557521018 /nfs/dbraw/zinc/52/10/18/557521018.db2.gz JJVOFIAZWAFAQV-UHFFFAOYSA-N 0 0 418.971 5.825 50 10 HKCARN Oc1ccc(Cl)cc1C1=NN(c2ccccc2)[C@H](c2ccc3c(c2)OCCO3)C1 ZINC000004158412 568947185 /nfs/dbraw/zinc/94/71/85/568947185.db2.gz LTDXWBNPUOKHCT-FQEVSTJZSA-N 0 0 406.869 5.173 50 10 HKCARN Oc1ccc(Cl)cc1C1=NN(c2ccccc2)[C@@H](c2ccc3c(c2)OCCO3)C1 ZINC000004158413 568947340 /nfs/dbraw/zinc/94/73/40/568947340.db2.gz LTDXWBNPUOKHCT-HXUWFJFHSA-N 0 0 406.869 5.173 50 10 HKCARN COc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 ZINC000004163394 568947686 /nfs/dbraw/zinc/94/76/86/568947686.db2.gz WUTTZCNAGSDZKM-RLFYNMQTSA-N 0 0 401.260 5.192 50 10 HKCARN COc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 ZINC000004163399 568947754 /nfs/dbraw/zinc/94/77/54/568947754.db2.gz WUTTZCNAGSDZKM-HDMKZQKVSA-N 0 0 401.260 5.192 50 10 HKCARN Cc1cccc(N[C@@H](c2ccc([N+](=O)[O-])cc2)c2ccc3ccc(C)nc3c2O)n1 ZINC000004164708 557522929 /nfs/dbraw/zinc/52/29/29/557522929.db2.gz VKIROHYSILFCHR-NRFANRHFSA-N 0 0 400.438 5.062 50 10 HKCARN Cc1cccc(N[C@H](c2ccc([N+](=O)[O-])cc2)c2ccc3ccc(C)nc3c2O)n1 ZINC000004164709 557522886 /nfs/dbraw/zinc/52/28/86/557522886.db2.gz VKIROHYSILFCHR-OAQYLSRUSA-N 0 0 400.438 5.062 50 10 HKCARN Cc1cccc(N[C@@H](c2ccc(Br)cc2)c2ccc3cccnc3c2O)n1 ZINC000004164770 557522869 /nfs/dbraw/zinc/52/28/69/557522869.db2.gz ZEGBYJZQTIPKGK-FQEVSTJZSA-N 0 0 420.310 5.608 50 10 HKCARN Cc1cccc(N[C@H](c2ccc(Br)cc2)c2ccc3cccnc3c2O)n1 ZINC000004164771 557522858 /nfs/dbraw/zinc/52/28/58/557522858.db2.gz ZEGBYJZQTIPKGK-HXUWFJFHSA-N 0 0 420.310 5.608 50 10 HKCARN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCCSc1ccc(Cl)cc1 ZINC000004171186 568921347 /nfs/dbraw/zinc/92/13/47/568921347.db2.gz XTGHAHWUJHCDBC-RGEXLXHISA-N 0 0 417.937 5.248 50 10 HKCARN COc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000004172088 557524080 /nfs/dbraw/zinc/52/40/80/557524080.db2.gz KVGKTBJNHOCAGT-TYILLQQXSA-N 0 0 401.260 5.192 50 10 HKCARN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 ZINC000004172149 341977376 /nfs/dbraw/zinc/97/73/76/341977376.db2.gz VHSVKVWHYFBIFJ-HKZYLEAXSA-N 0 0 412.283 5.207 50 10 in-vitro HKCARN COc1cc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC ZINC000004172152 557524112 /nfs/dbraw/zinc/52/41/12/557524112.db2.gz OSSFWALRIZNRFB-VBHSOAQHSA-N 0 0 404.279 5.432 50 10 HKCARN CN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000004177368 568949023 /nfs/dbraw/zinc/94/90/23/568949023.db2.gz ASPDZIWNGOYSKH-NVNXTCNLSA-N 0 0 424.330 5.044 50 10 HKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)c(C)c1 ZINC000004183998 557526094 /nfs/dbraw/zinc/52/60/94/557526094.db2.gz UVZOFQAAINUORX-YBEGLDIGSA-N 0 0 404.354 5.472 50 10 HKCARN CCCCCCNC(=O)c1cc(-c2cccc(OC)c2)n(-c2ccccc2F)c1C ZINC000004186110 568949883 /nfs/dbraw/zinc/94/98/83/568949883.db2.gz JRVMFNBXUUOXSW-UHFFFAOYSA-N 0 0 408.517 5.911 50 10 HKCARN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000004199906 568951242 /nfs/dbraw/zinc/95/12/42/568951242.db2.gz MZPRADALSUCTGP-VKJFTORMSA-N 0 0 401.260 5.192 50 10 HKCARN COC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(F)cc2Br)c1C ZINC000004237788 557531513 /nfs/dbraw/zinc/53/15/13/557531513.db2.gz SXVYPHOMHOQRJX-UHFFFAOYSA-N 0 0 416.290 5.758 50 10 HKCARN COC(=O)c1cc(-c2ccc(Br)cc2)n(-c2cccc(Cl)c2C)c1C ZINC000004237811 557531445 /nfs/dbraw/zinc/53/14/45/557531445.db2.gz HVPIJAMRYCKSRG-UHFFFAOYSA-N 0 0 418.718 5.964 50 10 HKCARN CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(C[NH+]2CCCCC2)c1[O-] ZINC000004247241 560197858 /nfs/dbraw/zinc/19/78/58/560197858.db2.gz JKIXLEKBXHMXTN-UHFFFAOYSA-N 0 0 420.534 5.324 50 10 in-vitro HKCARN C[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2cc(-c3nc4ccccc4s3)c(=O)oc21 ZINC000004247251 568953619 /nfs/dbraw/zinc/95/36/19/568953619.db2.gz NLUMALRDFQBAAL-CQSZACIVSA-N 0 0 406.507 5.150 50 10 biogenic HKCARN C[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2cc(-c3nc4ccccc4s3)c(=O)oc21 ZINC000004247252 568953547 /nfs/dbraw/zinc/95/35/47/568953547.db2.gz NLUMALRDFQBAAL-AWEZNQCLSA-N 0 0 406.507 5.150 50 10 biogenic HKCARN CCCC(c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000004255479 568955531 /nfs/dbraw/zinc/95/55/31/568955531.db2.gz AEIWNYPXKYMJIN-UHFFFAOYSA-N 0 0 415.625 6.019 50 10 HKCARN O=C1c2cccc3c(Cl)ccc(c32)C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 ZINC000004263955 568823558 /nfs/dbraw/zinc/82/35/58/568823558.db2.gz UUPXBRSHVYHWOE-CYYJNZCTSA-N 0 0 411.848 6.709 50 10 HKCARN COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(-c4ccccc4)c3C)o2)cc1 ZINC000004288436 568959454 /nfs/dbraw/zinc/95/94/54/568959454.db2.gz NQQSWYOHDWFLDL-UHFFFAOYSA-N 0 0 419.506 5.128 50 10 HKCARN Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000004289720 557536354 /nfs/dbraw/zinc/53/63/54/557536354.db2.gz BFPNPUOQODBWAM-SGIRGMQISA-N 0 0 416.546 5.622 50 10 HKCARN Clc1ccc([C@H]2[C@H]3CC=C[C@H]3c3c4ccccc4cc4c3N2C[C@H]2CC=C[C@H]42)cc1 ZINC000004309489 132274980 /nfs/dbraw/zinc/27/49/80/132274980.db2.gz ZRVUUSYPRMGSDR-NLJOHPHHSA-N 0 0 409.960 7.388 50 10 HKCARN Clc1ccc([C@H]2[C@H]3CC=C[C@@H]3c3c4ccccc4cc4c3N2C[C@H]2CC=C[C@H]42)cc1 ZINC000004309490 132274967 /nfs/dbraw/zinc/27/49/67/132274967.db2.gz ZRVUUSYPRMGSDR-IEANYPJISA-N 0 0 409.960 7.388 50 10 HKCARN Clc1ccc([C@H]2[C@@H]3CC=C[C@H]3c3c4ccccc4cc4c3N2C[C@H]2CC=C[C@H]42)cc1 ZINC000004309491 132275028 /nfs/dbraw/zinc/27/50/28/132275028.db2.gz ZRVUUSYPRMGSDR-IRWGICDTSA-N 0 0 409.960 7.388 50 10 HKCARN Clc1ccc([C@H]2[C@@H]3CC=C[C@@H]3c3c4ccccc4cc4c3N2C[C@H]2CC=C[C@H]42)cc1 ZINC000004309492 132275068 /nfs/dbraw/zinc/27/50/68/132275068.db2.gz ZRVUUSYPRMGSDR-VMGFYNCMSA-N 0 0 409.960 7.388 50 10 HKCARN Oc1ccc(Cl)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000004309635 557538803 /nfs/dbraw/zinc/53/88/03/557538803.db2.gz SXCVFKLKDGHZRL-UGKGYDQZSA-N 0 0 411.288 5.941 50 10 HKCARN Oc1ccc(Cl)cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000004309636 557538830 /nfs/dbraw/zinc/53/88/30/557538830.db2.gz SXCVFKLKDGHZRL-KNQAVFIVSA-N 0 0 411.288 5.941 50 10 HKCARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cc(Cl)ccc2O)cc1 ZINC000004309643 569071181 /nfs/dbraw/zinc/07/11/81/569071181.db2.gz NXMDOTLESVFPMP-NZQKXSOJSA-N 0 0 406.869 5.297 50 10 HKCARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cc(Cl)ccc2O)cc1 ZINC000004309644 569071168 /nfs/dbraw/zinc/07/11/68/569071168.db2.gz NXMDOTLESVFPMP-NFBKMPQASA-N 0 0 406.869 5.297 50 10 HKCARN CCC(=O)Oc1c2ccccc2c2nc3ccccc3nc2c1-c1ccc(Cl)cc1 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CN1C(=O)/C(=C\c2cccc(OCc3c(Cl)cccc3Cl)c2)SC1=S ZINC000004725674 558930434 /nfs/dbraw/zinc/93/04/34/558930434.db2.gz IFBQRPBMUMZTHM-CXUHLZMHSA-N 0 0 410.347 5.403 50 10 HKCARN CCOc1ccc(C2=N[C@H](C(C)C)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000004729445 558985887 /nfs/dbraw/zinc/98/58/87/558985887.db2.gz DLTVNGKCSIWRRJ-FPOVZHCZSA-N 0 0 417.347 5.059 50 10 HKCARN CCOc1ccc(C2=N[C@@H](C(C)C)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000004729447 558985862 /nfs/dbraw/zinc/98/58/62/558985862.db2.gz DLTVNGKCSIWRRJ-PZJWPPBQSA-N 0 0 417.347 5.059 50 10 HKCARN CCOc1ccc(C2=N[C@H](C(C)C)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000004729448 558985931 /nfs/dbraw/zinc/98/59/31/558985931.db2.gz DLTVNGKCSIWRRJ-CTNGQTDRSA-N 0 0 417.347 5.059 50 10 HKCARN CCOc1ccc(C2=N[C@@H](C(C)C)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000004729449 558985936 /nfs/dbraw/zinc/98/59/36/558985936.db2.gz DLTVNGKCSIWRRJ-TZIWHRDSSA-N 0 0 417.347 5.059 50 10 HKCARN CCc1ccc(C2=N[C@H](c3ccc(OC)c(OC)c3)N[C@H](c3ccccc3O)C2)cc1 ZINC000004729456 558986143 /nfs/dbraw/zinc/98/61/43/558986143.db2.gz NAFXRZWOCSMECU-NVQXNPDNSA-N 0 0 416.521 5.194 50 10 HKCARN CCc1ccc(C2=N[C@@H](c3ccc(OC)c(OC)c3)N[C@H](c3ccccc3O)C2)cc1 ZINC000004729457 558986006 /nfs/dbraw/zinc/98/60/06/558986006.db2.gz NAFXRZWOCSMECU-BKMJKUGQSA-N 0 0 416.521 5.194 50 10 HKCARN CCc1ccc(C2=N[C@H](c3ccc(OC)c(OC)c3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000004729459 558986108 /nfs/dbraw/zinc/98/61/08/558986108.db2.gz NAFXRZWOCSMECU-GJZUVCINSA-N 0 0 416.521 5.194 50 10 HKCARN CCc1ccc(C2=N[C@@H](c3ccc(OC)c(OC)c3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000004729460 558986027 /nfs/dbraw/zinc/98/60/27/558986027.db2.gz NAFXRZWOCSMECU-ATIYNZHBSA-N 0 0 416.521 5.194 50 10 HKCARN CCC[C@H]1N=C(c2ccc(CC)cc2)C[C@@H](c2cc(Br)ccc2O)N1 ZINC000004729501 558986021 /nfs/dbraw/zinc/98/60/21/558986021.db2.gz QYDVTZOFYGNQOR-FPOVZHCZSA-N 0 0 401.348 5.367 50 10 HKCARN CCC[C@@H]1N=C(c2ccc(CC)cc2)C[C@@H](c2cc(Br)ccc2O)N1 ZINC000004729503 558986102 /nfs/dbraw/zinc/98/61/02/558986102.db2.gz QYDVTZOFYGNQOR-PZJWPPBQSA-N 0 0 401.348 5.367 50 10 HKCARN CCC[C@H]1N=C(c2ccc(CC)cc2)C[C@H](c2cc(Br)ccc2O)N1 ZINC000004729504 558986060 /nfs/dbraw/zinc/98/60/60/558986060.db2.gz QYDVTZOFYGNQOR-CTNGQTDRSA-N 0 0 401.348 5.367 50 10 HKCARN CCC[C@@H]1N=C(c2ccc(CC)cc2)C[C@H](c2cc(Br)ccc2O)N1 ZINC000004729506 558986130 /nfs/dbraw/zinc/98/61/30/558986130.db2.gz QYDVTZOFYGNQOR-TZIWHRDSSA-N 0 0 401.348 5.367 50 10 HKCARN CCc1ccc(C2=N[C@H](C(C)C)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000004729529 558986124 /nfs/dbraw/zinc/98/61/24/558986124.db2.gz SGSSSPWKJGSXRN-FPOVZHCZSA-N 0 0 401.348 5.223 50 10 HKCARN CCc1ccc(C2=N[C@@H](C(C)C)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000004729530 558986031 /nfs/dbraw/zinc/98/60/31/558986031.db2.gz SGSSSPWKJGSXRN-PZJWPPBQSA-N 0 0 401.348 5.223 50 10 HKCARN CCc1ccc(C2=N[C@H](C(C)C)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000004729533 558985987 /nfs/dbraw/zinc/98/59/87/558985987.db2.gz SGSSSPWKJGSXRN-CTNGQTDRSA-N 0 0 401.348 5.223 50 10 HKCARN CCc1ccc(C2=N[C@@H](C(C)C)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000004729535 558985996 /nfs/dbraw/zinc/98/59/96/558985996.db2.gz SGSSSPWKJGSXRN-TZIWHRDSSA-N 0 0 401.348 5.223 50 10 HKCARN CCc1ccc(C2=N[C@H](c3ccc(SC)cc3)N[C@H](c3ccccc3O)C2)cc1 ZINC000004729813 558986467 /nfs/dbraw/zinc/98/64/67/558986467.db2.gz NCFGVIIDIIBRAH-ZCYQVOJMSA-N 0 0 402.563 5.899 50 10 HKCARN CCc1ccc(C2=N[C@@H](c3ccc(SC)cc3)N[C@H](c3ccccc3O)C2)cc1 ZINC000004729814 558986488 /nfs/dbraw/zinc/98/64/88/558986488.db2.gz NCFGVIIDIIBRAH-UKILVPOCSA-N 0 0 402.563 5.899 50 10 HKCARN CCc1ccc(C2=N[C@H](c3ccc(SC)cc3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000004729815 558986511 /nfs/dbraw/zinc/98/65/11/558986511.db2.gz NCFGVIIDIIBRAH-NOZRDPDXSA-N 0 0 402.563 5.899 50 10 HKCARN CCc1ccc(C2=N[C@@H](c3ccc(SC)cc3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000004729816 558986297 /nfs/dbraw/zinc/98/62/97/558986297.db2.gz NCFGVIIDIIBRAH-ILBGXUMGSA-N 0 0 402.563 5.899 50 10 HKCARN CCC[C@@]1(C)N=C(c2ccc(CC)cc2)C[C@@H](c2cc(Br)ccc2O)N1 ZINC000004729877 558986472 /nfs/dbraw/zinc/98/64/72/558986472.db2.gz DKEGDMRGWFGUIS-UNMCSNQZSA-N 0 0 415.375 5.757 50 10 HKCARN CCC[C@]1(C)N=C(c2ccc(CC)cc2)C[C@@H](c2cc(Br)ccc2O)N1 ZINC000004729878 558986428 /nfs/dbraw/zinc/98/64/28/558986428.db2.gz DKEGDMRGWFGUIS-RBBKRZOGSA-N 0 0 415.375 5.757 50 10 HKCARN CCC[C@@]1(C)N=C(c2ccc(CC)cc2)C[C@H](c2cc(Br)ccc2O)N1 ZINC000004729879 558986496 /nfs/dbraw/zinc/98/64/96/558986496.db2.gz DKEGDMRGWFGUIS-IRLDBZIGSA-N 0 0 415.375 5.757 50 10 HKCARN CCC[C@]1(C)N=C(c2ccc(CC)cc2)C[C@H](c2cc(Br)ccc2O)N1 ZINC000004729880 558986450 /nfs/dbraw/zinc/98/64/50/558986450.db2.gz DKEGDMRGWFGUIS-IFMALSPDSA-N 0 0 415.375 5.757 50 10 HKCARN CCCCCC[C@@]1(C)N=C(c2ccc(OC)cc2)C[C@@H](c2cccc(OC)c2O)N1 ZINC000004729881 558986492 /nfs/dbraw/zinc/98/64/92/558986492.db2.gz FOKFXNMEZZGZLA-DHLKQENFSA-N 0 0 410.558 5.620 50 10 HKCARN CCCCCC[C@]1(C)N=C(c2ccc(OC)cc2)C[C@@H](c2cccc(OC)c2O)N1 ZINC000004729882 558986494 /nfs/dbraw/zinc/98/64/94/558986494.db2.gz FOKFXNMEZZGZLA-WIOPSUGQSA-N 0 0 410.558 5.620 50 10 HKCARN CCCCCC[C@@]1(C)N=C(c2ccc(OC)cc2)C[C@H](c2cccc(OC)c2O)N1 ZINC000004729883 558986670 /nfs/dbraw/zinc/98/66/70/558986670.db2.gz FOKFXNMEZZGZLA-RDGATRHJSA-N 0 0 410.558 5.620 50 10 HKCARN CCCCCC[C@]1(C)N=C(c2ccc(OC)cc2)C[C@H](c2cccc(OC)c2O)N1 ZINC000004729884 558986502 /nfs/dbraw/zinc/98/65/02/558986502.db2.gz FOKFXNMEZZGZLA-RCZVLFRGSA-N 0 0 410.558 5.620 50 10 HKCARN CCCCCC[C@@]1(C)N=C(c2ccc(Cl)cc2)C[C@@H](c2cccc(OC)c2O)N1 ZINC000004729917 558986682 /nfs/dbraw/zinc/98/66/82/558986682.db2.gz UADYKNRNHNUSLE-URXFXBBRSA-N 0 0 414.977 6.265 50 10 HKCARN CCCCCC[C@]1(C)N=C(c2ccc(Cl)cc2)C[C@@H](c2cccc(OC)c2O)N1 ZINC000004729919 568937557 /nfs/dbraw/zinc/93/75/57/568937557.db2.gz UADYKNRNHNUSLE-XUZZJYLKSA-N 0 0 414.977 6.265 50 10 HKCARN CCCCCC[C@@]1(C)N=C(c2ccc(Cl)cc2)C[C@H](c2cccc(OC)c2O)N1 ZINC000004729921 568937576 /nfs/dbraw/zinc/93/75/76/568937576.db2.gz UADYKNRNHNUSLE-QPPBQGQZSA-N 0 0 414.977 6.265 50 10 HKCARN CCCCCC[C@]1(C)N=C(c2ccc(Cl)cc2)C[C@H](c2cccc(OC)c2O)N1 ZINC000004729923 558986684 /nfs/dbraw/zinc/98/66/84/558986684.db2.gz UADYKNRNHNUSLE-ZJSXRUAMSA-N 0 0 414.977 6.265 50 10 HKCARN Cc1ccc(C2=N[C@H](c3ccc(Cl)cc3Cl)N[C@H](c3ccccc3O)C2)cc1 ZINC000004730037 568937468 /nfs/dbraw/zinc/93/74/68/568937468.db2.gz FIKBKRWWPDWUPY-GMAHTHKFSA-N 0 0 411.332 6.230 50 10 HKCARN Cc1ccc(C2=N[C@@H](c3ccc(Cl)cc3Cl)N[C@H](c3ccccc3O)C2)cc1 ZINC000004730038 558986694 /nfs/dbraw/zinc/98/66/94/558986694.db2.gz FIKBKRWWPDWUPY-JTHBVZDNSA-N 0 0 411.332 6.230 50 10 HKCARN Cc1ccc(C2=N[C@H](c3ccc(Cl)cc3Cl)N[C@@H](c3ccccc3O)C2)cc1 ZINC000004730039 558986687 /nfs/dbraw/zinc/98/66/87/558986687.db2.gz FIKBKRWWPDWUPY-GGAORHGYSA-N 0 0 411.332 6.230 50 10 HKCARN Cc1ccc(C2=N[C@@H](c3ccc(Cl)cc3Cl)N[C@@H](c3ccccc3O)C2)cc1 ZINC000004730040 568937517 /nfs/dbraw/zinc/93/75/17/568937517.db2.gz FIKBKRWWPDWUPY-FYYLOGMGSA-N 0 0 411.332 6.230 50 10 HKCARN CC(C)C[C@H]1N=C(c2ccc(Cl)cc2)C[C@@H](c2cc(Br)ccc2O)N1 ZINC000004730045 558986658 /nfs/dbraw/zinc/98/66/58/558986658.db2.gz BOCQBTDETHRKSO-ICSRJNTNSA-N 0 0 421.766 5.704 50 10 HKCARN CC(C)C[C@@H]1N=C(c2ccc(Cl)cc2)C[C@@H](c2cc(Br)ccc2O)N1 ZINC000004730046 558986853 /nfs/dbraw/zinc/98/68/53/558986853.db2.gz BOCQBTDETHRKSO-AZUAARDMSA-N 0 0 421.766 5.704 50 10 HKCARN CC(C)C[C@H]1N=C(c2ccc(Cl)cc2)C[C@H](c2cc(Br)ccc2O)N1 ZINC000004730047 558986827 /nfs/dbraw/zinc/98/68/27/558986827.db2.gz BOCQBTDETHRKSO-QUCCMNQESA-N 0 0 421.766 5.704 50 10 HKCARN CC(C)C[C@@H]1N=C(c2ccc(Cl)cc2)C[C@H](c2cc(Br)ccc2O)N1 ZINC000004730048 558986799 /nfs/dbraw/zinc/98/67/99/558986799.db2.gz BOCQBTDETHRKSO-UYAOXDASSA-N 0 0 421.766 5.704 50 10 HKCARN CN(C)c1ccc(CNc2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1 ZINC000004733234 559033520 /nfs/dbraw/zinc/03/35/20/559033520.db2.gz NRZWBGIPUKXUMH-UHFFFAOYSA-N 0 0 406.529 6.651 50 10 HKCARN Cc1ccccc1Nc1c(-c2ccc(Br)o2)nc2ccc(Cl)cn21 ZINC000004733823 559033736 /nfs/dbraw/zinc/03/37/36/559033736.db2.gz NVAITLBPCJVURJ-UHFFFAOYSA-N 0 0 402.679 6.062 50 10 HKCARN CCN(CC)c1ccc([C@@H]2C(C(=O)OC(C)C)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000004734723 557588982 /nfs/dbraw/zinc/58/89/82/557588982.db2.gz NJECRFZYMUEURK-HSZRJFAPSA-N 0 0 418.541 5.123 50 10 HKCARN CCN(CC)c1ccc([C@H]2C(C(=O)OC(C)C)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000004734724 557589043 /nfs/dbraw/zinc/58/90/43/557589043.db2.gz NJECRFZYMUEURK-QHCPKHFHSA-N 0 0 418.541 5.123 50 10 HKCARN Cc1ccc(Nc2c(-c3ccc(Br)o3)nc3ccc(Cl)cn32)cc1 ZINC000004735043 559034209 /nfs/dbraw/zinc/03/42/09/559034209.db2.gz IQKMFWHBMMDJDH-UHFFFAOYSA-N 0 0 402.679 6.062 50 10 HKCARN CN1c2ccccc2-c2ccccc2[C@@]12C=Cc1cc(/N=N/c3ccccc3)ccc1O2 ZINC000004737181 132286393 /nfs/dbraw/zinc/28/63/93/132286393.db2.gz WCNFPNBDBFSQKE-FXOLTEBKSA-N 0 0 415.496 7.477 50 10 HKCARN CN1c2ccccc2-c2ccccc2[C@]12C=Cc1cc(/N=N/c3ccccc3)ccc1O2 ZINC000004737182 132286375 /nfs/dbraw/zinc/28/63/75/132286375.db2.gz WCNFPNBDBFSQKE-SADVANARSA-N 0 0 415.496 7.477 50 10 HKCARN Cc1ccc(C2=C/C(=C\c3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)O2)cc1 ZINC000004738883 559043032 /nfs/dbraw/zinc/04/30/32/559043032.db2.gz QKRXJSWJXAPIRP-HZHRSRAPSA-N 0 0 405.497 6.288 50 10 HKCARN O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccc2ccccc2c1 ZINC000004738981 559043050 /nfs/dbraw/zinc/04/30/50/559043050.db2.gz BSOBBCJUCYLPHN-XQNSMLJCSA-N 0 0 407.900 6.965 50 10 HKCARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccccc1Cl ZINC000004738993 559043053 /nfs/dbraw/zinc/04/30/53/559043053.db2.gz GEVPSOQVSBTABD-NBVRZTHBSA-N 0 0 402.837 5.720 50 10 HKCARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1cccc(Cl)c1 ZINC000004738997 557590222 /nfs/dbraw/zinc/59/02/22/557590222.db2.gz NNAYVBXBGASGLF-QGOAFFKASA-N 0 0 402.837 5.720 50 10 HKCARN Cc1ccc(C2=C/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)O2)cc1 ZINC000004739020 559043029 /nfs/dbraw/zinc/04/30/29/559043029.db2.gz MYBWTJZBJQOPIE-XNTDXEJSSA-N 0 0 407.809 5.798 50 10 HKCARN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(C3CCCCC3)C2=O)cc1OC ZINC000004739272 557590225 /nfs/dbraw/zinc/59/02/25/557590225.db2.gz QHKRNTNTOBKPPY-RGEXLXHISA-N 0 0 423.940 5.957 50 10 HKCARN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000004739273 557590211 /nfs/dbraw/zinc/59/02/11/557590211.db2.gz AOWYHARXDVKCKE-CYVLTUHYSA-N 0 0 417.892 5.829 50 10 HKCARN CCOc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(C3CCCCC3)C2=O)cc1 ZINC000004739398 559043020 /nfs/dbraw/zinc/04/30/20/559043020.db2.gz MOZUHRURYYUFFI-SILNSSARSA-N 0 0 407.941 6.338 50 10 HKCARN CN(C)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1 ZINC000004739407 557590271 /nfs/dbraw/zinc/59/02/71/557590271.db2.gz JUJZHPMUVKGOGA-CAPFRKAQSA-N 0 0 411.461 5.132 50 10 HKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)cc1 ZINC000004739408 557590267 /nfs/dbraw/zinc/59/02/67/557590267.db2.gz BVOLARYJGSYJPW-HMMYKYKNSA-N 0 0 416.318 6.229 50 10 HKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)cc1[N+](=O)[O-] ZINC000004739593 557590457 /nfs/dbraw/zinc/59/04/57/557590457.db2.gz ZGQHSLSRFVUHQG-CPNJWEJPSA-N 0 0 416.864 6.028 50 10 HKCARN COC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)c1 ZINC000004739594 557590524 /nfs/dbraw/zinc/59/05/24/557590524.db2.gz RKXWVNLHKFBHJU-XSFVSMFZSA-N 0 0 415.876 5.598 50 10 HKCARN COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)cc1 ZINC000004739595 557590410 /nfs/dbraw/zinc/59/04/10/557590410.db2.gz FQMGQAGSUUEGGB-HMMYKYKNSA-N 0 0 415.876 5.598 50 10 HKCARN O=C1c2ccccc2C(=O)C1(Cc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000004741429 557590916 /nfs/dbraw/zinc/59/09/16/557590916.db2.gz KEUXENBEHDDXFX-UHFFFAOYSA-N 0 0 402.493 6.127 50 10 HKCARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccc(Cl)cc1 ZINC000004743508 557591554 /nfs/dbraw/zinc/59/15/54/557591554.db2.gz WWIKVZNJGGYUPK-NBVRZTHBSA-N 0 0 402.837 5.720 50 10 HKCARN O=C1c2ccccc2-c2onc3c2c1c(NCc1ccccc1)cc3Br ZINC000004744367 559046358 /nfs/dbraw/zinc/04/63/58/559046358.db2.gz GXEABOCBCATMTN-UHFFFAOYSA-N 0 0 405.251 5.414 50 10 HKCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)C(c1ccccc1)c1ccccc1 ZINC000004745812 559046543 /nfs/dbraw/zinc/04/65/43/559046543.db2.gz ULGFSIWHDVTDLB-UHFFFAOYSA-N 0 0 417.464 5.233 50 10 HKCARN Cn1cc(C=C2SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)c2ccccc21 ZINC000004745844 559046651 /nfs/dbraw/zinc/04/66/51/559046651.db2.gz FVXJXRABTZLLCD-MFOYZWKCSA-N 0 0 401.413 5.280 50 10 HKCARN Cn1cc(C=C2SC(Nc3cc(Cl)cc(Cl)c3)=NC2=O)c2ccccc21 ZINC000004745845 559046624 /nfs/dbraw/zinc/04/66/24/559046624.db2.gz ANPDFCKMZBGFJL-FMQZQXMHSA-N 0 0 402.306 5.568 50 10 HKCARN CCOC(=O)c1sc2nc(-c3ccc(C)cc3)cc(-c3ccc(OC)cc3)c2c1N ZINC000004746771 559045310 /nfs/dbraw/zinc/04/53/10/559045310.db2.gz HALVEWYLZSFWFL-UHFFFAOYSA-N 0 0 418.518 5.706 50 10 HKCARN CC(=O)Nc1ccc(Oc2ccc(C(C)(C)C)cc2)c2c1C(=O)c1ccccc1C2=O ZINC000004746957 559045349 /nfs/dbraw/zinc/04/53/49/559045349.db2.gz RUUKUBGUXJRYAF-UHFFFAOYSA-N 0 0 413.473 5.510 50 10 HKCARN COc1ccc2c3ccc(OCC(=O)c4ccc(Cl)cc4)c(C)c3oc(=O)c2c1 ZINC000004747397 559045444 /nfs/dbraw/zinc/04/54/44/559045444.db2.gz XIYSISLGETTWLZ-UHFFFAOYSA-N 0 0 408.837 5.178 50 10 HKCARN COC(=O)[C@@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C)c1ccccc1 ZINC000004747431 559045420 /nfs/dbraw/zinc/04/54/20/559045420.db2.gz XSKUGWDSKISNIP-DEOSSOPVSA-N 0 0 400.430 5.062 50 10 HKCARN COC(=O)[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C)c1ccccc1 ZINC000004747433 559045417 /nfs/dbraw/zinc/04/54/17/559045417.db2.gz XSKUGWDSKISNIP-XMMPIXPASA-N 0 0 400.430 5.062 50 10 HKCARN CN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)SC1=S ZINC000004754431 557593063 /nfs/dbraw/zinc/59/30/63/557593063.db2.gz UCBGDPKECSAXNF-CXUHLZMHSA-N 0 0 410.347 5.403 50 10 HKCARN Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3ccc(C(C)(C)C)cc3)S2)CC1 ZINC000004754567 132287637 /nfs/dbraw/zinc/28/76/37/132287637.db2.gz GPDKJDQTCPOKSM-OQKWZONESA-N 0 0 419.594 5.085 50 10 HKCARN CN1C(=O)/C(=C\c2ccc(OCc3c(Cl)cccc3Cl)cc2)SC1=S ZINC000004754645 559050954 /nfs/dbraw/zinc/05/09/54/559050954.db2.gz KQAGOAXFVFUWHS-CXUHLZMHSA-N 0 0 410.347 5.403 50 10 HKCARN Cc1ccc(COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)cc1 ZINC000004754649 557593291 /nfs/dbraw/zinc/59/32/91/557593291.db2.gz SIPFRMLYKSFYCH-PXLXIMEGSA-N 0 0 417.555 5.980 50 10 HKCARN Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(C(C)(C)C)cc4)S3)CC2)c1 ZINC000004754703 132287672 /nfs/dbraw/zinc/28/76/72/132287672.db2.gz SMWUAVFLJQSJTD-OQKWZONESA-N 0 0 419.594 5.085 50 10 HKCARN COc1cccc([C@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)c1OC ZINC000004755194 557593536 /nfs/dbraw/zinc/59/35/36/557593536.db2.gz UCMJCWYWSCWETO-HSZRJFAPSA-N 0 0 415.493 5.171 50 10 HKCARN COc1cccc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)c1OC ZINC000004755195 557593551 /nfs/dbraw/zinc/59/35/51/557593551.db2.gz UCMJCWYWSCWETO-QHCPKHFHSA-N 0 0 415.493 5.171 50 10 HKCARN CSc1ccc([C@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)cc1 ZINC000004755363 557593499 /nfs/dbraw/zinc/59/34/99/557593499.db2.gz ZNKLDPBOHOOXCP-QFIPXVFZSA-N 0 0 401.535 5.876 50 10 HKCARN CSc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)cc1 ZINC000004755364 557593568 /nfs/dbraw/zinc/59/35/68/557593568.db2.gz ZNKLDPBOHOOXCP-JOCHJYFZSA-N 0 0 401.535 5.876 50 10 HKCARN CCN(CC)c1cc(C)c2cc(NC(=O)/C=C/c3ccccc3OC(C)C)ccc2n1 ZINC000004757358 557594520 /nfs/dbraw/zinc/59/45/20/557594520.db2.gz VKSDHKNPPHGPQF-NTCAYCPXSA-N 0 0 417.553 5.829 50 10 HKCARN CCOc1ccccc1/C=C/C(=O)Nc1ccc2nc(N(CC)CC)cc(C)c2c1 ZINC000004757359 557594541 /nfs/dbraw/zinc/59/45/41/557594541.db2.gz KJFWPYOTEZWINP-NTCAYCPXSA-N 0 0 403.526 5.440 50 10 HKCARN COc1cc([C@@H]2Nc3c(C)cccc3[C@H]3C=CC[C@@H]32)cc(Br)c1OC ZINC000004757573 569071463 /nfs/dbraw/zinc/07/14/63/569071463.db2.gz XBJNOLZWBKIZPE-IIMJZQEZSA-N 0 0 400.316 5.601 50 10 HKCARN COc1cc([C@@H]2Nc3c(C)cccc3[C@H]3C=CC[C@H]32)cc(Br)c1OC ZINC000004757575 569071464 /nfs/dbraw/zinc/07/14/64/569071464.db2.gz XBJNOLZWBKIZPE-KKVAFCGZSA-N 0 0 400.316 5.601 50 10 HKCARN Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)/C=C/c3cccc(Cl)c3)cc12 ZINC000004757619 132287829 /nfs/dbraw/zinc/28/78/29/132287829.db2.gz SZQAJIFPRANXMX-RMKNXTFCSA-N 0 0 419.956 6.085 50 10 HKCARN COc1ccc(/C=C/C(=O)Nc2ccc3nc(N4CCC(C)CC4)cc(C)c3c2)cc1 ZINC000004757652 132287896 /nfs/dbraw/zinc/28/78/96/132287896.db2.gz ZVWBYHKNNYFADF-IZZDOVSWSA-N 0 0 415.537 5.440 50 10 HKCARN COc1ccc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000004758064 569071480 /nfs/dbraw/zinc/07/14/80/569071480.db2.gz KVGKTBJNHOCAGT-KSMMKXTCSA-N 0 0 401.260 5.192 50 10 HKCARN COc1ccc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000004758066 569071458 /nfs/dbraw/zinc/07/14/58/569071458.db2.gz KVGKTBJNHOCAGT-NJSLBKSFSA-N 0 0 401.260 5.192 50 10 HKCARN Cc1ccc2occ(CC(=O)N(Cc3ccco3)Cc3ccc(N(C)C)cc3)c2c1 ZINC000004758796 557595211 /nfs/dbraw/zinc/59/52/11/557595211.db2.gz DZBZTMWIBALVNB-UHFFFAOYSA-N 0 0 402.494 5.172 50 10 HKCARN O=[N+]([O-])c1cccc([C@H](Nc2cccnc2)c2cc(Cl)c3cccnc3c2O)c1 ZINC000004759489 557595266 /nfs/dbraw/zinc/59/52/66/557595266.db2.gz KMQVCVLZHQSGLT-IBGZPJMESA-N 0 0 406.829 5.099 50 10 HKCARN O=[N+]([O-])c1cccc([C@@H](Nc2cccnc2)c2cc(Cl)c3cccnc3c2O)c1 ZINC000004759491 557595192 /nfs/dbraw/zinc/59/51/92/557595192.db2.gz KMQVCVLZHQSGLT-LJQANCHMSA-N 0 0 406.829 5.099 50 10 HKCARN CN(C)c1ccc(C(c2ccccc2)=C2c3ccccc3C(=O)c3ccccc32)cc1 ZINC000004773372 571045222 /nfs/dbraw/zinc/04/52/22/571045222.db2.gz JITAUZGWLVDSMZ-UHFFFAOYSA-N 0 0 401.509 6.304 50 10 HKCARN COc1cc(N2Cc3ccccc3C2)cc(OC)c1/N=N/c1ccc([N+](=O)[O-])cc1 ZINC000004774683 569361647 /nfs/dbraw/zinc/36/16/47/569361647.db2.gz XNICJOHZAYHVRF-WCWDXBQESA-N 0 0 404.426 5.548 50 10 HKCARN CCC(=O)Nc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1)[C@H](C)CC(C)(C)N2CC ZINC000004774719 557596678 /nfs/dbraw/zinc/59/66/78/557596678.db2.gz FRLJSCUIZQVGFD-HNSMJWMHSA-N 0 0 423.517 6.471 50 10 HKCARN CCC(=O)Nc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1)[C@@H](C)CC(C)(C)N2CC ZINC000004774721 557596642 /nfs/dbraw/zinc/59/66/42/557596642.db2.gz FRLJSCUIZQVGFD-RZJDRKADSA-N 0 0 423.517 6.471 50 10 HKCARN CCN(CC)c1ccc(/N=N/c2c(Br)cccc2Br)cc1 ZINC000004774736 571045239 /nfs/dbraw/zinc/04/52/39/571045239.db2.gz RBQUXXITCQLGHF-FMQUCBEESA-N 0 0 411.141 6.473 50 10 HKCARN CN1c2ccccc2C(C)(C)/C1=C\C=C1\SC(=S)N(CCc2ccccc2)C1=O ZINC000004782591 557597437 /nfs/dbraw/zinc/59/74/37/557597437.db2.gz BMZQFNCMSYZEPQ-KVVJQUGZSA-N 0 0 420.603 5.285 50 10 HKCARN CCOC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CC/C3=C/c1ccco1 ZINC000004785037 557597979 /nfs/dbraw/zinc/59/79/79/557597979.db2.gz HTFNUQUBLSHHEW-QXMHVHEDSA-N 0 0 406.463 5.395 50 10 HKCARN COc1cc(Cl)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)C)C4)c1O ZINC000004785256 559063398 /nfs/dbraw/zinc/06/33/98/559063398.db2.gz WICNLJAPEFWECX-MGNBDDOMSA-N 0 0 420.962 5.696 50 10 HKCARN COc1cc(Cl)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)c1O ZINC000004785257 559063417 /nfs/dbraw/zinc/06/34/17/559063417.db2.gz WICNLJAPEFWECX-YPMLDQLKSA-N 0 0 420.962 5.696 50 10 HKCARN COc1cc(Cl)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)C)C4)c1O ZINC000004785260 559063403 /nfs/dbraw/zinc/06/34/03/559063403.db2.gz WICNLJAPEFWECX-MLCYQJTMSA-N 0 0 420.962 5.696 50 10 HKCARN COc1cc(Cl)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)c1O ZINC000004785262 559063393 /nfs/dbraw/zinc/06/33/93/559063393.db2.gz WICNLJAPEFWECX-XTZNXHDOSA-N 0 0 420.962 5.696 50 10 HKCARN CC(=O)N(CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 ZINC000004786035 559063913 /nfs/dbraw/zinc/06/39/13/559063913.db2.gz FLVINGVDMBUNPL-RSXGOPAZSA-N 0 0 422.613 5.480 50 10 HKCARN CC(=O)N(CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 ZINC000004786036 560873576 /nfs/dbraw/zinc/87/35/76/560873576.db2.gz FLVINGVDMBUNPL-AOYPEHQESA-N 0 0 422.613 5.480 50 10 HKCARN CC(=O)N(CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 ZINC000004786037 559063885 /nfs/dbraw/zinc/06/38/85/559063885.db2.gz FLVINGVDMBUNPL-AHWVRZQESA-N 0 0 422.613 5.480 50 10 HKCARN CC(=O)N(CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 ZINC000004786038 560873525 /nfs/dbraw/zinc/87/35/25/560873525.db2.gz FLVINGVDMBUNPL-AZGAKELHSA-N 0 0 422.613 5.480 50 10 HKCARN c1ccc(-c2nc(/N=N/c3ccc(C4CCCCC4)cc3)[nH]c2-c2ccccc2)cc1 ZINC000004786058 559063880 /nfs/dbraw/zinc/06/38/80/559063880.db2.gz GRHYQZKCHWHNSQ-NVQSTNCTSA-N 0 0 406.533 8.207 50 10 HKCARN CN(C)c1ccc(Nc2ccc3ccccc3c2/N=N/c2nc3ccccc3n2C)cc1 ZINC000004786118 559063917 /nfs/dbraw/zinc/06/39/17/559063917.db2.gz ZVLTXVDZARCTQX-QVIHXGFCSA-N 0 0 420.520 6.952 50 10 HKCARN Brc1ccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000004786135 559063865 /nfs/dbraw/zinc/06/38/65/559063865.db2.gz PHYYTKXJEPZSPC-OCEACIFDSA-N 0 0 403.283 6.922 50 10 HKCARN CNc1ccc(Sc2ccc(C(C)(C)C)cc2)c2c1C(=O)c1ccccc1C2=O ZINC000004793911 559066097 /nfs/dbraw/zinc/06/60/97/559066097.db2.gz VCTSFFPLFQTHFZ-UHFFFAOYSA-N 0 0 401.531 5.952 50 10 HKCARN O=C1c2cccc(NC3CCCCC3)c2C(=O)c2cccc(NC3CCCCC3)c21 ZINC000004794445 557598228 /nfs/dbraw/zinc/59/82/28/557598228.db2.gz QSNJWMJODWUDPJ-UHFFFAOYSA-N 0 0 402.538 5.951 50 10 HKCARN CC(C)(C)c1ccc2cc(C(C)(C)C)cc(S(=O)(=O)Nc3ccc(O)cc3)c2c1 ZINC000004797231 559066508 /nfs/dbraw/zinc/06/65/08/559066508.db2.gz RIFMQUQWUTXBDA-UHFFFAOYSA-N 0 0 411.567 5.941 50 10 HKCARN CC(C)(C)OC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N ZINC000004797932 559066699 /nfs/dbraw/zinc/06/66/99/559066699.db2.gz GOVVJCAIAJKTKO-UHFFFAOYSA-N 0 0 402.519 6.168 50 10 HKCARN CCCCOP(=O)(OCCCC)[C@H](Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000004806396 557599270 /nfs/dbraw/zinc/59/92/70/557599270.db2.gz OOGQTSBGSUFLAJ-QHCPKHFHSA-N 0 0 418.518 6.690 50 10 HKCARN CCCCOP(=O)(OCCCC)[C@@H](Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000004806400 557599336 /nfs/dbraw/zinc/59/93/36/557599336.db2.gz OOGQTSBGSUFLAJ-HSZRJFAPSA-N 0 0 418.518 6.690 50 10 HKCARN CN(C)c1ccc(/C=C\c2nc3ccccc3c(=O)n2-c2cccc3ccccc32)cc1 ZINC000004807172 559068262 /nfs/dbraw/zinc/06/82/62/559068262.db2.gz VKVSRTDSURLONI-MNDPQUGUSA-N 0 0 417.512 5.775 50 10 HKCARN CC(NC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F ZINC000004808266 559068540 /nfs/dbraw/zinc/06/85/40/559068540.db2.gz HIEXCCQKJCEADK-CYYJNZCTSA-N 0 0 404.314 6.107 50 10 HKCARN Oc1ccc(Br)cc1C1=NN(c2ccccc2)[C@H](c2ccc(F)cc2)C1 ZINC000004808350 559068580 /nfs/dbraw/zinc/06/85/80/559068580.db2.gz QWEMEWQJEZJVOO-FQEVSTJZSA-N 0 0 411.274 5.650 50 10 HKCARN Oc1ccc(Br)cc1C1=NN(c2ccccc2)[C@@H](c2ccc(F)cc2)C1 ZINC000004808351 559068543 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/nfs/dbraw/zinc/54/43/65/560544365.db2.gz GLSJVLWAAXTOEK-WEHZRUJJSA-N 0 0 419.554 5.130 50 10 HKCARN Cc1cc(C(=O)CSc2nnc(-c3cccs3)o2)c(C)n1-c1cccc(F)c1 ZINC000005226038 560546015 /nfs/dbraw/zinc/54/60/15/560546015.db2.gz KIWIGVVOTJPIBZ-UHFFFAOYSA-N 0 0 413.499 5.320 50 10 HKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C2=N)S1 ZINC000005249573 560737291 /nfs/dbraw/zinc/73/72/91/560737291.db2.gz PSCLSVBTCQGINB-DGIAZZNKSA-N 0 0 419.554 5.130 50 10 aggregator HKCARN Cc1cc(C)c2nc(Cl)c(/C=C/[C@]34NC(=O)CN3c3ccccc3C4(C)C)cc2c1 ZINC000005249825 560549260 /nfs/dbraw/zinc/54/92/60/560549260.db2.gz UKMJEINYWUBPSF-ZUCPIXAKSA-N 0 0 417.940 5.142 50 10 HKCARN Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1cccc(C)c1 ZINC000005249902 560549292 /nfs/dbraw/zinc/54/92/92/560549292.db2.gz QZTBVIHVLXPFAO-DGIAZZNKSA-N 0 0 419.554 5.068 50 10 aggregator HKCARN Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000005261761 560552844 /nfs/dbraw/zinc/55/28/44/560552844.db2.gz 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557689347 /nfs/dbraw/zinc/68/93/47/557689347.db2.gz UPJHSOFKQIYLRR-UPVQGACJSA-N 0 0 421.903 5.787 50 10 HKCARN O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1c1cccc(Cl)c1 ZINC000006142537 569014355 /nfs/dbraw/zinc/01/43/55/569014355.db2.gz QTLJZNHBAVPMTP-RIYZIHGNSA-N 0 0 410.745 5.508 50 10 HKCARN C[C@@H](c1ccccc1)N1C(=O)C(=CNc2ccccc2Br)SC1=S ZINC000006151005 569015093 /nfs/dbraw/zinc/01/50/93/569015093.db2.gz IMTMTPVPHLHOAE-IEMQHYRPSA-N 0 0 419.369 5.324 50 10 HKCARN C[C@H](c1ccccc1)N1C(=O)C(=CNc2ccccc2Br)SC1=S ZINC000006151008 569015081 /nfs/dbraw/zinc/01/50/81/569015081.db2.gz IMTMTPVPHLHOAE-COOUDCDJSA-N 0 0 419.369 5.324 50 10 HKCARN Cc1c(Cl)cccc1NC1=NC(=O)C(=Cc2ccc(N3CCCCC3)o2)S1 ZINC000006167262 569016080 /nfs/dbraw/zinc/01/60/80/569016080.db2.gz HIXKYJKKNUSIGH-SFQUDFHCSA-N 0 0 401.919 5.314 50 10 HKCARN Cc1ccc(Cl)cc1NC1=NC(=O)C(=Cc2ccc(N3CCCCC3)o2)S1 ZINC000006173989 569016917 /nfs/dbraw/zinc/01/69/17/569016917.db2.gz HSFKBCGHPOHOPW-SFQUDFHCSA-N 0 0 401.919 5.314 50 10 HKCARN 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412.577 6.332 50 10 HKCARN CCN1C(=O)/C(=C\c2ccc(OC)c(COc3cc(C)cc(C)c3)c2)SC1=S ZINC000006783655 569120686 /nfs/dbraw/zinc/12/06/86/569120686.db2.gz RTUHEFUWTYFICH-UDWIEESQSA-N 0 0 413.564 5.112 50 10 HKCARN Cc1cc(C(=O)Nc2ccc(Br)cc2F)c(C)n1-c1ccc(F)cc1 ZINC000006786786 569121818 /nfs/dbraw/zinc/12/18/18/569121818.db2.gz NNRPHZULYJPZGP-UHFFFAOYSA-N 0 0 405.242 5.387 50 10 HKCARN COc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@H](C)CC3=O)cc1 ZINC000006792331 557721501 /nfs/dbraw/zinc/72/15/01/557721501.db2.gz UJGAPFMEBDEISQ-AWEZNQCLSA-N 0 0 410.311 5.680 50 10 HKCARN C[C@H]1Cc2c(cc(-c3ccc(Br)cc3)n2-c2cccc(Cl)c2)C(=O)C1 ZINC000006792332 557721521 /nfs/dbraw/zinc/72/15/21/557721521.db2.gz VAAIORSBFRYHDW-ZDUSSCGKSA-N 0 0 414.730 6.325 50 10 HKCARN Cc1cc2occ(CC(=O)N(Cc3ccco3)Cc3ccc(N(C)C)cc3)c2c(C)c1 ZINC000006804264 569130707 /nfs/dbraw/zinc/13/07/07/569130707.db2.gz UATNDTUULLPNOB-UHFFFAOYSA-N 0 0 416.521 5.480 50 10 aggregator HKCARN Cc1ccc2c(CC(=O)N(Cc3ccco3)Cc3ccc(N(C)C)cc3)coc2c1C ZINC000006804267 569130798 /nfs/dbraw/zinc/13/07/98/569130798.db2.gz YGUZVOHOFOCSDH-UHFFFAOYSA-N 0 0 416.521 5.480 50 10 HKCARN CCCCOc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1 ZINC000006804323 569131375 /nfs/dbraw/zinc/13/13/75/569131375.db2.gz ZRMLYBGWEWXDIU-UHFFFAOYSA-N 0 0 406.526 5.367 50 10 HKCARN CC(C)COc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1 ZINC000006804325 569131382 /nfs/dbraw/zinc/13/13/82/569131382.db2.gz LXUSKDRZKJTXGK-UHFFFAOYSA-N 0 0 406.526 5.223 50 10 HKCARN CCCCOc1cccc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)c1 ZINC000006804334 569131334 /nfs/dbraw/zinc/13/13/34/569131334.db2.gz OBZBUJYLYWYBRZ-UHFFFAOYSA-N 0 0 406.526 5.367 50 10 HKCARN Cc1c2cc(Cl)ccc2oc1C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000006804341 569131352 /nfs/dbraw/zinc/13/13/52/569131352.db2.gz RSZDZSOBIPVMIW-UHFFFAOYSA-N 0 0 422.912 5.896 50 10 HKCARN CCc1ccc2oc(C(=O)N(Cc3ccco3)Cc3ccc(N(C)C)cc3)c(C)c2c1 ZINC000006804342 569131328 /nfs/dbraw/zinc/13/13/28/569131328.db2.gz ORZCGUXFYNRTHI-UHFFFAOYSA-N 0 0 416.521 5.805 50 10 aggregator HKCARN Cc1c2cc(F)ccc2oc1C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000006804343 569131346 /nfs/dbraw/zinc/13/13/46/569131346.db2.gz VEDAABDGFYVXHS-UHFFFAOYSA-N 0 0 406.457 5.382 50 10 HKCARN Cc1c2ccc(C)c(C)c2oc1C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000006804344 569131291 /nfs/dbraw/zinc/13/12/91/569131291.db2.gz JYYSLTONWUHRGZ-UHFFFAOYSA-N 0 0 416.521 5.860 50 10 HKCARN CCCCOc1ccccc1C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000006804347 569131342 /nfs/dbraw/zinc/13/13/42/569131342.db2.gz VKPHNSVKEJEMEV-UHFFFAOYSA-N 0 0 406.526 5.367 50 10 HKCARN Cc1c2cc(C)ccc2oc1C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000006804348 568459876 /nfs/dbraw/zinc/45/98/76/568459876.db2.gz GLOMVISQAMYKKN-UHFFFAOYSA-N 0 0 402.494 5.551 50 10 HKCARN Cc1cc(-c2csc(NC(=O)Cc3c(C)noc3C)n2)c(C)n1-c1ccccc1 ZINC000006821844 569140864 /nfs/dbraw/zinc/14/08/64/569140864.db2.gz MPIWYSSBEZIWEI-UHFFFAOYSA-N 0 0 406.511 5.004 50 10 HKCARN CCOc1cc(C=C2SC(Nc3ccccc3C)=NC2=O)ccc1OC(F)F ZINC000006822249 557725379 /nfs/dbraw/zinc/72/53/79/557725379.db2.gz HHTFQQQHZHEBPW-BOPFTXTBSA-N 0 0 404.438 5.078 50 10 HKCARN COc1cc(C=C2SC(Nc3ccccc3C)=NC2=O)cc(Cl)c1OC(C)C ZINC000006822251 557725465 /nfs/dbraw/zinc/72/54/65/557725465.db2.gz FYVQUMOSDWNYQA-WQRHYEAKSA-N 0 0 416.930 5.527 50 10 HKCARN Cc1cc(-c2csc(NC(=O)CCc3ccccc3)n2)c(C)n1-c1ccccc1 ZINC000006831516 569147672 /nfs/dbraw/zinc/14/76/72/569147672.db2.gz PSDYREMVKMIVPS-UHFFFAOYSA-N 0 0 401.535 5.789 50 10 HKCARN Cc1cc(C(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)c(C)n1CCC(C)C ZINC000006862136 569158578 /nfs/dbraw/zinc/15/85/78/569158578.db2.gz PWZZBFJPVCZNGF-UHFFFAOYSA-N 0 0 420.553 5.598 50 10 HKCARN Fc1cccc(Cl)c1[C@@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@H]2C=CC[C@H]21 ZINC000006862840 569158770 /nfs/dbraw/zinc/15/87/70/569158770.db2.gz VZRMBMRSPDATGR-MRAOVIAESA-N 0 0 403.111 7.266 50 10 HKCARN Fc1cccc(Cl)c1[C@@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@H]2C=CC[C@@H]21 ZINC000006862841 569158704 /nfs/dbraw/zinc/15/87/04/569158704.db2.gz VZRMBMRSPDATGR-IRWWLHRVSA-N 0 0 403.111 7.266 50 10 HKCARN Cc1cc(C(=O)COC(=O)CCOc2ccccc2C)c(C)n1-c1ccc(C)c(C)c1 ZINC000006866178 569159074 /nfs/dbraw/zinc/15/90/74/569159074.db2.gz ARTPWZSZUWLKMK-UHFFFAOYSA-N 0 0 419.521 5.214 50 10 HKCARN CSc1ccc(CCNC(=O)c2ccc(-n3c(C)cc4c3CCCC4)cc2)cc1 ZINC000006877912 569164829 /nfs/dbraw/zinc/16/48/29/569164829.db2.gz IESNKQUDFZLCQJ-UHFFFAOYSA-N 0 0 404.579 5.359 50 10 HKCARN Cc1cc2c(n1-c1ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc1)CCCC2 ZINC000006877914 569164871 /nfs/dbraw/zinc/16/48/71/569164871.db2.gz JUAZKRDYNAMHSP-UHFFFAOYSA-N 0 0 402.538 5.382 50 10 HKCARN CCCOc1ccc(CNC(=O)c2ccc(-n3c(C)cc4c3CCCC4)cc2)cc1 ZINC000006877915 569164828 /nfs/dbraw/zinc/16/48/28/569164828.db2.gz DGEPSCPPGDIRKS-UHFFFAOYSA-N 0 0 402.538 5.383 50 10 HKCARN Cc1cc2c(n1-c1ccc(C(=O)NCCc3ccc(Cl)cc3)cc1)CC[C@H](C)C2 ZINC000006877930 569164889 /nfs/dbraw/zinc/16/48/89/569164889.db2.gz QXLFSYQCDIVEGT-KRWDZBQOSA-N 0 0 406.957 5.536 50 10 HKCARN Cc1cc2c(n1-c1ccc(C(=O)NCCc3ccc(Cl)cc3)cc1)CC[C@@H](C)C2 ZINC000006877931 569164841 /nfs/dbraw/zinc/16/48/41/569164841.db2.gz QXLFSYQCDIVEGT-QGZVFWFLSA-N 0 0 406.957 5.536 50 10 HKCARN CCOc1ccccc1CNC(=O)c1ccc(-n2c(C)cc3c2CC[C@H](C)C3)cc1 ZINC000006877985 569164913 /nfs/dbraw/zinc/16/49/13/569164913.db2.gz DXWKRVFEUQWBJW-SFHVURJKSA-N 0 0 402.538 5.239 50 10 HKCARN CCOc1ccccc1CNC(=O)c1ccc(-n2c(C)cc3c2CC[C@@H](C)C3)cc1 ZINC000006877986 569164835 /nfs/dbraw/zinc/16/48/35/569164835.db2.gz DXWKRVFEUQWBJW-GOSISDBHSA-N 0 0 402.538 5.239 50 10 HKCARN CCOc1ccc(CNC(=O)c2ccc(-n3c(C)cc4c3CC[C@H](C)C4)cc2)cc1 ZINC000006877992 569164833 /nfs/dbraw/zinc/16/48/33/569164833.db2.gz GJRSBEPPFMSBHC-SFHVURJKSA-N 0 0 402.538 5.239 50 10 HKCARN CCOc1ccc(CNC(=O)c2ccc(-n3c(C)cc4c3CC[C@@H](C)C4)cc2)cc1 ZINC000006877993 569164878 /nfs/dbraw/zinc/16/48/78/569164878.db2.gz GJRSBEPPFMSBHC-GOSISDBHSA-N 0 0 402.538 5.239 50 10 HKCARN Cc1cc2c(n1-c1ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc1)CC[C@H](C)C2 ZINC000006878000 569164801 /nfs/dbraw/zinc/16/48/01/569164801.db2.gz HMCCDACSMNACEL-IBGZPJMESA-N 0 0 416.565 5.628 50 10 HKCARN Cc1cc2c(n1-c1ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc1)CC[C@@H](C)C2 ZINC000006878001 569164866 /nfs/dbraw/zinc/16/48/66/569164866.db2.gz HMCCDACSMNACEL-LJQANCHMSA-N 0 0 416.565 5.628 50 10 HKCARN CCCOc1ccc(CNC(=O)c2ccc(-n3c(C)cc4c3CC[C@H](C)C4)cc2)cc1 ZINC000006878002 569164906 /nfs/dbraw/zinc/16/49/06/569164906.db2.gz XJVQKJGDFGHGMU-IBGZPJMESA-N 0 0 416.565 5.629 50 10 HKCARN CCCOc1ccc(CNC(=O)c2ccc(-n3c(C)cc4c3CC[C@@H](C)C4)cc2)cc1 ZINC000006878003 569164831 /nfs/dbraw/zinc/16/48/31/569164831.db2.gz XJVQKJGDFGHGMU-LJQANCHMSA-N 0 0 416.565 5.629 50 10 HKCARN Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)SC2=S)c1 ZINC000006886434 568463124 /nfs/dbraw/zinc/46/31/24/568463124.db2.gz NPLHPEFVNGXRCT-XDHOZWIPSA-N 0 0 411.935 6.314 50 10 HKCARN CC(C)c1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@H](C)CC3=O)cc1 ZINC000006896894 557729245 /nfs/dbraw/zinc/72/92/45/557729245.db2.gz JDEWKRCUALVKHA-INIZCTEOSA-N 0 0 422.366 6.795 50 10 HKCARN O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)c1 ZINC000006898487 569176371 /nfs/dbraw/zinc/17/63/71/569176371.db2.gz WCRNQNSYYFNUAI-JCGVRSQUSA-N 0 0 405.679 5.837 50 10 HKCARN Cc1cc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)ccc1Br ZINC000006901842 569177877 /nfs/dbraw/zinc/17/78/77/569177877.db2.gz KFZDJDFQTFYZMV-UHFFFAOYSA-N 0 0 406.279 5.144 50 10 HKCARN CCCCOC(=O)c1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000006901861 569177925 /nfs/dbraw/zinc/17/79/25/569177925.db2.gz BVVDOUYJSYMDOW-UHFFFAOYSA-N 0 0 413.473 5.030 50 10 HKCARN CSc1cccc(-n2c(C)cc(C(=O)CSCc3ccc(C(C)C)cc3)c2C)c1 ZINC000006912196 569179039 /nfs/dbraw/zinc/17/90/39/569179039.db2.gz WIGNMQTULNIWOZ-UHFFFAOYSA-N 0 0 423.647 7.056 50 10 HKCARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc12 ZINC000006913342 569179503 /nfs/dbraw/zinc/17/95/03/569179503.db2.gz RJRLCCZPAQNMFC-UHFFFAOYSA-N 0 0 411.549 5.302 50 10 HKCARN COc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000006923837 569182729 /nfs/dbraw/zinc/18/27/29/569182729.db2.gz HOQXVUWHNWEAIB-FYJGNVAPSA-N 0 0 405.544 5.871 50 10 HKCARN Cc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3Cl)SC2=S)cc1C ZINC000006923838 569182701 /nfs/dbraw/zinc/18/27/01/569182701.db2.gz XYLLKZZCVYXJDC-CXUHLZMHSA-N 0 0 404.900 5.271 50 10 HKCARN O=C1S/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000006970413 569190880 /nfs/dbraw/zinc/19/08/80/569190880.db2.gz XVXMSPRQKZDLJI-ODLFYWEKSA-N 0 0 416.905 5.316 50 10 HKCARN O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1Cc1ccc(Cl)c(Cl)c1 ZINC000006974325 557731711 /nfs/dbraw/zinc/73/17/11/557731711.db2.gz OKXYMEQIBMLSFW-FRKPEAEDSA-N 0 0 424.330 5.124 50 10 HKCARN O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1 ZINC000006974471 557731729 /nfs/dbraw/zinc/73/17/29/557731729.db2.gz ANFSYKRDBOMSHE-VGOFMYFVSA-N 0 0 411.291 5.307 50 10 HKCARN Cc1cc(C(=O)[C@@H](C)Sc2nnc(C)n2C2CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000006993356 569197041 /nfs/dbraw/zinc/19/70/41/569197041.db2.gz LATGLVLQMQWZQS-CQSZACIVSA-N 0 0 414.962 5.346 50 10 HKCARN Cc1cc(C(=O)[C@H](C)Sc2nnc(C)n2C2CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000006993358 569197023 /nfs/dbraw/zinc/19/70/23/569197023.db2.gz LATGLVLQMQWZQS-AWEZNQCLSA-N 0 0 414.962 5.346 50 10 HKCARN O=C1/C(=C\c2ccccc2Cl)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000006997738 557732934 /nfs/dbraw/zinc/73/29/34/557732934.db2.gz YQOFNDHZKIUXGB-RGEXLXHISA-N 0 0 403.825 5.083 50 10 HKCARN Cc1cccc(NCN2C(=O)/C(=C/c3cccc(Cl)c3Cl)SC2=S)c1 ZINC000006998428 557733062 /nfs/dbraw/zinc/73/30/62/557733062.db2.gz QDLXTRWWJPPIEU-DHDCSXOGSA-N 0 0 409.363 5.573 50 10 HKCARN Cc1ccc(C(=O)N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1 ZINC000006998981 557733160 /nfs/dbraw/zinc/73/31/60/557733160.db2.gz AYMCZBWOWNMADR-DHDCSXOGSA-N 0 0 408.331 5.343 50 10 HKCARN O=C1/C(=C/c2ccccc2[N+](=O)[O-])N=C(c2ccccc2)N1c1ccc(Cl)cc1 ZINC000007017984 569201172 /nfs/dbraw/zinc/20/11/72/569201172.db2.gz BCDPERDUAALSBI-RGEXLXHISA-N 0 0 403.825 5.083 50 10 HKCARN Brc1ccccc1[C@@H]1Nc2c(-c3ccccc3)cccc2[C@H]2C=CC[C@@H]21 ZINC000007097682 569219549 /nfs/dbraw/zinc/21/95/49/569219549.db2.gz 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CC(=O)c1c[nH]c(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)c1 ZINC000009658914 571276829 /nfs/dbraw/zinc/27/68/29/571276829.db2.gz OVLRTQWQSRPWOV-UHFFFAOYSA-N 0 0 422.485 5.140 50 10 HKCARN CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000009720980 132342917 /nfs/dbraw/zinc/34/29/17/132342917.db2.gz OFSNAXCFBNCPCD-OAQYLSRUSA-N 0 0 422.872 5.085 50 10 HKCARN CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000009720981 132342961 /nfs/dbraw/zinc/34/29/61/132342961.db2.gz OFSNAXCFBNCPCD-NRFANRHFSA-N 0 0 422.872 5.085 50 10 HKCARN COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OC ZINC000009763613 571284802 /nfs/dbraw/zinc/28/48/02/571284802.db2.gz FTQLDMVTJMBLFI-JCGVRSQUSA-N 0 0 422.269 5.571 50 10 HKCARN Oc1ccc2ncccc2c1[C@@H](Nc1ccccn1)c1cccc(Br)c1 ZINC000009775241 557849665 /nfs/dbraw/zinc/84/96/65/557849665.db2.gz IOJCTGUDFQVUEZ-NRFANRHFSA-N 0 0 406.283 5.299 50 10 HKCARN Oc1ccc2ncccc2c1[C@@H](Nc1ccccn1)c1ccc(Br)cc1 ZINC000009775244 557849682 /nfs/dbraw/zinc/84/96/82/557849682.db2.gz RLKMCPRJMIJCJK-NRFANRHFSA-N 0 0 406.283 5.299 50 10 HKCARN Oc1ccc2ncccc2c1[C@H](Nc1ccccn1)c1ccc(Br)cc1 ZINC000009775245 557849568 /nfs/dbraw/zinc/84/95/68/557849568.db2.gz RLKMCPRJMIJCJK-OAQYLSRUSA-N 0 0 406.283 5.299 50 10 HKCARN Oc1ccc2ncccc2c1[C@H](Nc1ccccn1)c1cccc(Br)c1 ZINC000009777395 557849674 /nfs/dbraw/zinc/84/96/74/557849674.db2.gz IOJCTGUDFQVUEZ-OAQYLSRUSA-N 0 0 406.283 5.299 50 10 HKCARN Cc1ccccc1COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000009805565 571285863 /nfs/dbraw/zinc/28/58/63/571285863.db2.gz PFSGPACQMXPRCU-BKUYFWCQSA-N 0 0 421.543 5.568 50 10 HKCARN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000009805690 571285839 /nfs/dbraw/zinc/28/58/39/571285839.db2.gz DEADXKUXPPWZRI-GLJUWKHASA-N 0 0 418.718 5.716 50 10 HKCARN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000009805692 571285851 /nfs/dbraw/zinc/28/58/51/571285851.db2.gz DEADXKUXPPWZRI-LBTNJELSSA-N 0 0 418.718 5.716 50 10 HKCARN CN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S ZINC000009805840 571285993 /nfs/dbraw/zinc/28/59/93/571285993.db2.gz HUIRCYQLULEZEJ-NVMNQCDNSA-N 0 0 416.930 5.313 50 10 HKCARN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000009833605 571287508 /nfs/dbraw/zinc/28/75/08/571287508.db2.gz QHMGZHAVBAQNRN-SOZUMNATSA-N 0 0 419.264 5.515 50 10 HKCARN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000009833606 571287523 /nfs/dbraw/zinc/28/75/23/571287523.db2.gz QHMGZHAVBAQNRN-FMTVUPSXSA-N 0 0 419.264 5.515 50 10 HKCARN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 ZINC000009833682 571287477 /nfs/dbraw/zinc/28/74/77/571287477.db2.gz BPZMYJPKCXFYRX-FTLABTOESA-N 0 0 418.718 5.716 50 10 HKCARN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Br)N2 ZINC000009833684 571287466 /nfs/dbraw/zinc/28/74/66/571287466.db2.gz BPZMYJPKCXFYRX-SEDUGSJDSA-N 0 0 418.718 5.716 50 10 HKCARN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)SC2=S)c1 ZINC000009849436 571288226 /nfs/dbraw/zinc/28/82/26/571288226.db2.gz IPQXKKYPNVLRDL-SXGWCWSVSA-N 0 0 420.353 5.177 50 10 HKCARN O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)SC(=S)N1c1cccc(F)c1 ZINC000009849598 571288181 /nfs/dbraw/zinc/28/81/81/571288181.db2.gz GAQSMQSUAYIUBZ-WQRHYEAKSA-N 0 0 415.898 6.145 50 10 HKCARN Cn1c(-c2ccccc2)cnc1SCC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000009908412 571290014 /nfs/dbraw/zinc/29/00/14/571290014.db2.gz ODRGRJSINVCLKO-UHFFFAOYSA-N 0 0 417.534 5.001 50 10 HKCARN O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1N=c1[nH]c2ccccc2s1 ZINC000009914682 557851517 /nfs/dbraw/zinc/85/15/17/557851517.db2.gz LIJSKYYDQWFNEZ-ZROIWOOFSA-N 0 0 403.941 5.178 50 10 HKCARN CC1=NN(c2cccc(C)c2Cl)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000010059841 569253101 /nfs/dbraw/zinc/25/31/01/569253101.db2.gz XUWDTGKQAFNKFE-LDADJPATSA-N 0 0 421.840 5.623 50 10 HKCARN COc1ccc(-c2nc(CSc3ncc(-c4ccccc4)n3C)cs2)cc1OC ZINC000010087962 571294870 /nfs/dbraw/zinc/29/48/70/571294870.db2.gz VRFZSOMPFHCYJC-UHFFFAOYSA-N 0 0 423.563 5.520 50 10 HKCARN Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccsc1 ZINC000010215344 571297090 /nfs/dbraw/zinc/29/70/90/571297090.db2.gz RKFLGADYNUIFSK-FXAWDEMLSA-N 0 0 417.317 6.003 50 10 HKCARN Oc1ccc(Cl)cc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccsc1 ZINC000010215349 571297120 /nfs/dbraw/zinc/29/71/20/571297120.db2.gz RKFLGADYNUIFSK-YLJYHZDGSA-N 0 0 417.317 6.003 50 10 HKCARN Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccco1 ZINC000010215352 571297041 /nfs/dbraw/zinc/29/70/41/571297041.db2.gz LKGLOWHRKVOXEQ-OXJNMPFZSA-N 0 0 401.249 5.534 50 10 HKCARN Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@H]2c1ccco1 ZINC000010215356 571297111 /nfs/dbraw/zinc/29/71/11/571297111.db2.gz LKGLOWHRKVOXEQ-JXFKEZNVSA-N 0 0 401.249 5.534 50 10 HKCARN COc1cc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccsc2)ccc1O ZINC000010215517 571297126 /nfs/dbraw/zinc/29/71/26/571297126.db2.gz KDGKSELMQKKXOX-LAUBAEHRSA-N 0 0 412.898 5.358 50 10 HKCARN COc1cc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccsc2)ccc1O ZINC000010215518 571297082 /nfs/dbraw/zinc/29/70/82/571297082.db2.gz KDGKSELMQKKXOX-DYESRHJHSA-N 0 0 412.898 5.358 50 10 HKCARN CCOc1cccc2c1O[C@H](c1sccc1C)N1N=C(c3ccccc3O)C[C@H]21 ZINC000010215903 571297132 /nfs/dbraw/zinc/29/71/32/571297132.db2.gz DNLGNANDJKVQJH-WZONZLPQSA-N 0 0 406.507 5.403 50 10 HKCARN CCOc1cccc2c1O[C@@H](c1sccc1C)N1N=C(c3ccccc3O)C[C@H]21 ZINC000010215906 571297218 /nfs/dbraw/zinc/29/72/18/571297218.db2.gz DNLGNANDJKVQJH-JPYJTQIMSA-N 0 0 406.507 5.403 50 10 HKCARN CCOc1cccc2c1O[C@H](c1cccs1)N1N=C(c3cc(C)ccc3O)C[C@H]21 ZINC000010215959 571297144 /nfs/dbraw/zinc/29/71/44/571297144.db2.gz XRMHDDXDIBTZBZ-WZONZLPQSA-N 0 0 406.507 5.403 50 10 HKCARN CCOc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3cc(C)ccc3O)C[C@H]21 ZINC000010215964 571297166 /nfs/dbraw/zinc/29/71/66/571297166.db2.gz XRMHDDXDIBTZBZ-JPYJTQIMSA-N 0 0 406.507 5.403 50 10 HKCARN COc1cccc2c1O[C@H](c1cccs1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 ZINC000010215967 571297153 /nfs/dbraw/zinc/29/71/53/571297153.db2.gz TVDGONDTPAVSRV-IIBYNOLFSA-N 0 0 412.898 5.358 50 10 HKCARN COc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 ZINC000010215972 571297167 /nfs/dbraw/zinc/29/71/67/571297167.db2.gz TVDGONDTPAVSRV-IERDGZPVSA-N 0 0 412.898 5.358 50 10 HKCARN COc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 ZINC000010215977 571297179 /nfs/dbraw/zinc/29/71/79/571297179.db2.gz NISITWDMQGXPRL-DYESRHJHSA-N 0 0 412.898 5.358 50 10 HKCARN COc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 ZINC000010215981 571297231 /nfs/dbraw/zinc/29/72/31/571297231.db2.gz NISITWDMQGXPRL-UTKZUKDTSA-N 0 0 412.898 5.358 50 10 HKCARN CCOc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 ZINC000010215996 571297224 /nfs/dbraw/zinc/29/72/24/571297224.db2.gz FTZPGFNNZGFBAR-AUSIDOKSSA-N 0 0 421.884 5.082 50 10 HKCARN CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 ZINC000010215999 571297227 /nfs/dbraw/zinc/29/72/27/571297227.db2.gz FTZPGFNNZGFBAR-XXBNENTESA-N 0 0 421.884 5.082 50 10 HKCARN CCOc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 ZINC000010216005 571297191 /nfs/dbraw/zinc/29/71/91/571297191.db2.gz SCMJVIXUSKAJOR-AUSIDOKSSA-N 0 0 421.884 5.082 50 10 HKCARN CCOc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 ZINC000010216008 571297176 /nfs/dbraw/zinc/29/71/76/571297176.db2.gz SCMJVIXUSKAJOR-XXBNENTESA-N 0 0 421.884 5.082 50 10 HKCARN CCOc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 ZINC000010216013 571297136 /nfs/dbraw/zinc/29/71/36/571297136.db2.gz VPQWFAYSCJGCNW-AUSIDOKSSA-N 0 0 421.884 5.082 50 10 HKCARN CCOc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 ZINC000010216017 571297271 /nfs/dbraw/zinc/29/72/71/571297271.db2.gz VPQWFAYSCJGCNW-XXBNENTESA-N 0 0 421.884 5.082 50 10 HKCARN CCOc1cccc2c1O[C@H](c1ccco1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 ZINC000010216032 571297349 /nfs/dbraw/zinc/29/73/49/571297349.db2.gz IJRHJQJXMMJUEF-VGOFRKELSA-N 0 0 410.857 5.280 50 10 HKCARN CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 ZINC000010216036 571297309 /nfs/dbraw/zinc/29/73/09/571297309.db2.gz IJRHJQJXMMJUEF-VGSWGCGISA-N 0 0 410.857 5.280 50 10 HKCARN COc1ccc(CN2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)SC2=S)cc1 ZINC000010231663 571297440 /nfs/dbraw/zinc/29/74/40/571297440.db2.gz ADPTWMYNJFNRSE-YBEGLDIGSA-N 0 0 409.454 5.115 50 10 HKCARN COc1ccc(N(Cc2ccc(C(C)C)cc2)Cc2cc(=O)n3ccsc3n2)cc1 ZINC000010504888 571303880 /nfs/dbraw/zinc/30/38/80/571303880.db2.gz APSZZXJMGZBCIE-UHFFFAOYSA-N 0 0 419.550 5.095 50 10 HKCARN O=C(CCS(=O)(=O)Cc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000010620754 558827778 /nfs/dbraw/zinc/82/77/78/558827778.db2.gz SCGPRLCHDRUCHI-OCOZRVBESA-N 0 0 407.495 5.046 50 10 HKCARN O=C(CCCS(=O)(=O)Cc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000010687362 558386255 /nfs/dbraw/zinc/38/62/55/558386255.db2.gz JNLPUKIWJQOGTE-OCEACIFDSA-N 0 0 421.522 5.436 50 10 HKCARN Cc1nc2ccccc2c(C)c1CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000010961966 132346978 /nfs/dbraw/zinc/34/69/78/132346978.db2.gz HXPAWLFORMWGAD-UHFFFAOYSA-N 0 0 401.554 5.043 50 10 HKCARN Cc1cc(C(=O)CSc2nnc(C3CC3)[nH]2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000011275428 559023128 /nfs/dbraw/zinc/02/31/28/559023128.db2.gz LVVWSZFSRXHTOT-UHFFFAOYSA-N 0 0 420.460 5.083 50 10 HKCARN COc1ccc(C(C)=O)cc1CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000011607305 559113241 /nfs/dbraw/zinc/11/32/41/559113241.db2.gz IEKRYWAQFYUZDG-NRFANRHFSA-N 0 0 422.550 5.233 50 10 HKCARN COc1ccc(C(C)=O)cc1CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000011607310 559113278 /nfs/dbraw/zinc/11/32/78/559113278.db2.gz IEKRYWAQFYUZDG-OAQYLSRUSA-N 0 0 422.550 5.233 50 10 HKCARN COc1cc2c(cc1NCC(=O)Nc1ccccc1C(F)(F)F)oc1ccccc12 ZINC000011619262 559115465 /nfs/dbraw/zinc/11/54/65/559115465.db2.gz BYZLBGQRGJXVPY-UHFFFAOYSA-N 0 0 414.383 5.664 50 10 HKCARN COc1ccc(Cl)cc1NC(=O)CNc1cc2oc3ccccc3c2cc1OC ZINC000011619264 559115487 /nfs/dbraw/zinc/11/54/87/559115487.db2.gz MUWZLVLTWDQVTG-UHFFFAOYSA-N 0 0 410.857 5.307 50 10 HKCARN COc1cc2c(cc1NCC(=O)Nc1ccc(OC(F)F)cc1)oc1ccccc12 ZINC000011619303 559115445 /nfs/dbraw/zinc/11/54/45/559115445.db2.gz CZIZRDNBXNNGRT-UHFFFAOYSA-N 0 0 412.392 5.247 50 10 HKCARN COc1cc2c(cc1NCC(=O)Nc1c(C)c(C)ccc1[N+](=O)[O-])oc1ccccc12 ZINC000011619374 559115461 /nfs/dbraw/zinc/11/54/61/559115461.db2.gz KOTJQLNRFUASMZ-UHFFFAOYSA-N 0 0 419.437 5.170 50 10 HKCARN O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)OCc1ccccc1 ZINC000011692370 558270240 /nfs/dbraw/zinc/27/02/40/558270240.db2.gz XFHJKOXRJBMOPC-UHFFFAOYSA-N 0 0 420.848 5.236 50 10 HKCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2cccc(C)c2C)C1=O ZINC000011859671 558289771 /nfs/dbraw/zinc/28/97/71/558289771.db2.gz YJPFURNVXOAARB-HIBZGYDWSA-N 0 0 422.575 5.090 50 10 HKCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccc(C)cc2C)C1=O ZINC000011859672 558289810 /nfs/dbraw/zinc/28/98/10/558289810.db2.gz FJVKYPWTOXCWME-GEEUODSKSA-N 0 0 422.575 5.090 50 10 HKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000011916106 559267234 /nfs/dbraw/zinc/26/72/34/559267234.db2.gz AKJAERGPRSQYPH-OCEACIFDSA-N 0 0 402.841 6.663 50 10 HKCARN Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccc(N(C)C)cc3)no2)cc1 ZINC000011916462 559267279 /nfs/dbraw/zinc/26/72/79/559267279.db2.gz BKOZOICJXUWEMR-UHFFFAOYSA-N 0 0 415.493 5.152 50 10 HKCARN COc1cccc([C@@H]2CCN(Cc3cccc(OC)c3O)c3ccccc3S2)c1 ZINC000012036247 560887229 /nfs/dbraw/zinc/88/72/29/560887229.db2.gz PDLJXWZUCDILRK-QFIPXVFZSA-N 0 0 407.535 5.653 50 10 HKCARN COc1cccc([C@H]2CCN(Cc3cccc(OC)c3O)c3ccccc3S2)c1 ZINC000012036251 560887217 /nfs/dbraw/zinc/88/72/17/560887217.db2.gz PDLJXWZUCDILRK-JOCHJYFZSA-N 0 0 407.535 5.653 50 10 HKCARN CN(C)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000012112565 558326646 /nfs/dbraw/zinc/32/66/46/558326646.db2.gz CGPUYANGKHARBC-KNQAVFIVSA-N 0 0 409.942 5.710 50 10 HKCARN CN(C)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000012112566 558326736 /nfs/dbraw/zinc/32/67/36/558326736.db2.gz CGPUYANGKHARBC-DENIHFKCSA-N 0 0 409.942 5.710 50 10 HKCARN CN(Cc1csc(-c2ccccc2)n1)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC000012128465 558331878 /nfs/dbraw/zinc/33/18/78/558331878.db2.gz GWHYSJSJLIOHMG-UHFFFAOYSA-N 0 0 404.510 5.954 50 10 HKCARN COc1ccc2c(c1)S[C@H](c1ccc3c(c1)OCO3)CCN2Cc1ccccc1O ZINC000012162904 558342047 /nfs/dbraw/zinc/34/20/47/558342047.db2.gz WXCDLIBATKIVLO-QHCPKHFHSA-N 0 0 421.518 5.373 50 10 HKCARN COc1ccc2c(c1)S[C@@H](c1ccc3c(c1)OCO3)CCN2Cc1ccccc1O ZINC000012162911 558342051 /nfs/dbraw/zinc/34/20/51/558342051.db2.gz WXCDLIBATKIVLO-HSZRJFAPSA-N 0 0 421.518 5.373 50 10 HKCARN COc1ccc2c(c1)S[C@H](c1ccc(F)cc1F)CCN2Cc1cnn(C)c1C ZINC000012246879 558361646 /nfs/dbraw/zinc/36/16/46/558361646.db2.gz BEBJJEFUPBOPMI-NRFANRHFSA-N 0 0 415.509 5.259 50 10 HKCARN COc1ccc2c(c1)S[C@@H](c1ccc(F)cc1F)CCN2Cc1cnn(C)c1C ZINC000012246880 558361728 /nfs/dbraw/zinc/36/17/28/558361728.db2.gz BEBJJEFUPBOPMI-OAQYLSRUSA-N 0 0 415.509 5.259 50 10 HKCARN CCCOC(=O)c1sc2nc(-c3ccc(Cl)cc3)cc(-c3ccco3)c2c1N ZINC000012249948 568455892 /nfs/dbraw/zinc/45/58/92/568455892.db2.gz OTMRARKNTXOTKV-UHFFFAOYSA-N 0 0 412.898 6.026 50 10 HKCARN CCCOC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)c2c1N ZINC000012250015 568455873 /nfs/dbraw/zinc/45/58/73/568455873.db2.gz NHAKCVYWRZNNIL-UHFFFAOYSA-N 0 0 402.519 6.088 50 10 HKCARN Cc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)OC(C)C)c(N)c32)cc1 ZINC000012250034 568455963 /nfs/dbraw/zinc/45/59/63/568455963.db2.gz PBGLYJFETRRGNJ-UHFFFAOYSA-N 0 0 402.519 6.086 50 10 HKCARN N=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000012285258 568458434 /nfs/dbraw/zinc/45/84/34/568458434.db2.gz VABADDBYLINLQW-XKVLWOBQSA-N 0 0 422.485 5.285 50 10 HKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=N)S1 ZINC000012285374 569319935 /nfs/dbraw/zinc/31/99/35/569319935.db2.gz HZJCQTNFEBYEGX-AXPJIBDUSA-N 0 0 412.902 5.409 50 10 HKCARN CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000012345783 568494327 /nfs/dbraw/zinc/49/43/27/568494327.db2.gz FKWCJQVTASGOAA-WQRHYEAKSA-N 0 0 403.956 5.761 50 10 HKCARN Cc1c(C(=O)Nc2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000012369433 558389140 /nfs/dbraw/zinc/38/91/40/558389140.db2.gz FNXNATSXPDSMGX-UHFFFAOYSA-N 0 0 421.327 7.012 50 10 HKCARN O=C1/C(=C/c2cccc(F)c2)SC(=S)N1CNc1ccc(-c2ccccc2)cc1 ZINC000012376972 558392230 /nfs/dbraw/zinc/39/22/30/558392230.db2.gz GYQBIZOMCSMNEC-STZFKDTASA-N 0 0 420.534 5.764 50 10 HKCARN CC(=O)Oc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@H]32)c(OC(C)=O)c1 ZINC000012379989 568990438 /nfs/dbraw/zinc/99/04/38/568990438.db2.gz LZHKKEGNGAAPJH-IPVFLDMMSA-N 0 0 413.473 5.517 50 10 HKCARN CC(=O)Oc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@@H]32)c(OC(C)=O)c1 ZINC000012379990 558392790 /nfs/dbraw/zinc/39/27/90/558392790.db2.gz LZHKKEGNGAAPJH-YZIHRLCOSA-N 0 0 413.473 5.517 50 10 HKCARN CC(C)(C)c1ccc(Sc2c(N)c(Cl)cc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000012381748 558393625 /nfs/dbraw/zinc/39/36/25/558393625.db2.gz IRZZLSMBNITHJP-UHFFFAOYSA-N 0 0 421.949 6.146 50 10 HKCARN C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000012385126 558393901 /nfs/dbraw/zinc/39/39/01/558393901.db2.gz DQXWFOCJQYKYMF-QBUJUVIBSA-N 0 0 406.957 6.181 50 10 HKCARN C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000012385130 558394201 /nfs/dbraw/zinc/39/42/01/558394201.db2.gz KOLACZLVBICEFL-QBUJUVIBSA-N 0 0 417.509 5.436 50 10 HKCARN CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000012403927 568710400 /nfs/dbraw/zinc/71/04/00/568710400.db2.gz PPRRPBWYTHDAKP-UNOMPAQXSA-N 0 0 422.941 5.336 50 10 HKCARN CCCSc1c(C(=O)Nc2ccc(F)cc2)ccc2c1C(=O)c1ccccc1C2=O ZINC000012411394 558400728 /nfs/dbraw/zinc/40/07/28/558400728.db2.gz MBHRANLNZXLCAE-UHFFFAOYSA-N 0 0 419.477 5.356 50 10 HKCARN CCCSc1c(C(=O)Nc2cccc(F)c2)ccc2c1C(=O)c1ccccc1C2=O ZINC000012411396 558400735 /nfs/dbraw/zinc/40/07/35/558400735.db2.gz MSDWVEQFMWMILS-UHFFFAOYSA-N 0 0 419.477 5.356 50 10 HKCARN CCNC(=O)c1ccc2c(c1Sc1ccc(Cl)cc1)C(=O)c1ccccc1C2=O ZINC000012412045 558401027 /nfs/dbraw/zinc/40/10/27/558401027.db2.gz UMTVHEUTXMZZQG-UHFFFAOYSA-N 0 0 421.905 5.016 50 10 HKCARN CCOC(=O)C1=CS/C(=C2/c3cccc(OCC)c3NC(C)(C)C2=S)S1 ZINC000012412404 568715702 /nfs/dbraw/zinc/71/57/02/568715702.db2.gz DNPGFNLFHFBFMT-NBVRZTHBSA-N 0 0 407.582 5.212 50 10 HKCARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000012412752 568715751 /nfs/dbraw/zinc/71/57/51/568715751.db2.gz OUUCRFRURKWRGV-UCQKPKSFSA-N 0 0 402.881 5.725 50 10 HKCARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000012412780 568715770 /nfs/dbraw/zinc/71/57/70/568715770.db2.gz ZMKDOSCDTFXBMX-PDGQHHTCSA-N 0 0 407.813 5.314 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000012412913 558401391 /nfs/dbraw/zinc/40/13/91/558401391.db2.gz UYCZWLZXXABFBN-ULJHMMPZSA-N 0 0 404.473 5.345 50 10 HKCARN CCOC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000012413437 558401632 /nfs/dbraw/zinc/40/16/32/558401632.db2.gz LODLXTYOMVDPFL-BOPFTXTBSA-N 0 0 408.325 5.389 50 10 HKCARN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000012413444 558401639 /nfs/dbraw/zinc/40/16/39/558401639.db2.gz CLULFDHSDOJNRT-JLPGSUDCSA-N 0 0 411.501 5.724 50 10 HKCARN CN1c2ccccc2S/C1=C1/SC(N(c2ccccc2)c2ccccc2)=NC1=O ZINC000012417171 568718312 /nfs/dbraw/zinc/71/83/12/568718312.db2.gz WTLQVBKQPPRBCM-LSDHQDQOSA-N 0 0 415.543 5.865 50 10 HKCARN Cc1cc(C)c(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)c1 ZINC000012445025 558413530 /nfs/dbraw/zinc/41/35/30/558413530.db2.gz TTYUBMHJHVYZMS-YVLHZVERSA-N 0 0 407.482 6.036 50 10 HKCARN O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000012466580 568838045 /nfs/dbraw/zinc/83/80/45/568838045.db2.gz QSPFLYRRHVKOST-ZDLGFXPLSA-N 0 0 416.354 6.552 50 10 HKCARN O=C1/C(=C/c2cccc(OCc3ccccc3F)c2)SC(=S)N1c1ccccc1 ZINC000012466892 568838006 /nfs/dbraw/zinc/83/80/06/568838006.db2.gz TZJGFJCPUKXSJY-STZFKDTASA-N 0 0 421.518 5.811 50 10 HKCARN COC(=O)c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000012468541 568838215 /nfs/dbraw/zinc/83/82/15/568838215.db2.gz KEYLFHQXPIDQEN-RKVPGOIHSA-N 0 0 402.263 5.201 50 10 HKCARN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc2ccccc2c1 ZINC000012469378 568838007 /nfs/dbraw/zinc/83/80/07/568838007.db2.gz VPPQLHSLMLPODN-BKUYFWCQSA-N 0 0 421.543 5.306 50 10 HKCARN Fc1cc(Br)cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21 ZINC000012469445 558421486 /nfs/dbraw/zinc/42/14/86/558421486.db2.gz VJKHASMPDYRGDV-PEBVRCNWSA-N 0 0 412.224 6.434 50 10 HKCARN Fc1cc(Br)cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@@H]21 ZINC000012469447 558421465 /nfs/dbraw/zinc/42/14/65/558421465.db2.gz VJKHASMPDYRGDV-QFSBIZTOSA-N 0 0 412.224 6.434 50 10 HKCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1csc(-c2ccsc2)n1 ZINC000012523525 568842436 /nfs/dbraw/zinc/84/24/36/568842436.db2.gz GAAISQZHDUCLED-UHFFFAOYSA-N 0 0 411.596 5.063 50 10 HKCARN C[C@@H]1N(C)c2ccc([C@H]3c4ccccc4C=CN3C(=O)c3ccccc3)cc2C1(C)C ZINC000012524069 568842492 /nfs/dbraw/zinc/84/24/92/568842492.db2.gz HKHFYQJRLZEXCN-SIBVEZHUSA-N 0 0 408.545 6.019 50 10 HKCARN C[C@H]1N(C)c2ccc([C@H]3c4ccccc4C=CN3C(=O)c3ccccc3)cc2C1(C)C ZINC000012524070 568842484 /nfs/dbraw/zinc/84/24/84/568842484.db2.gz HKHFYQJRLZEXCN-BCHFMIIMSA-N 0 0 408.545 6.019 50 10 HKCARN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(C3SCCCS3)cc2)cc1 ZINC000012543114 568849073 /nfs/dbraw/zinc/84/90/73/568849073.db2.gz QMPIPINOINCMIF-UHFFFAOYSA-N 0 0 414.640 5.674 50 10 HKCARN COc1cccc(N(Cc2ncc(-c3ccc(F)cc3)o2)Cc2ccccc2O)c1 ZINC000012545185 568850075 /nfs/dbraw/zinc/85/00/75/568850075.db2.gz MPGGZRCQCGKTLI-UHFFFAOYSA-N 0 0 404.441 5.402 50 10 HKCARN Cc1cc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c(C)n1-c1cccc(Cl)c1Cl ZINC000012551499 558427124 /nfs/dbraw/zinc/42/71/24/558427124.db2.gz QBGAGHYIASKYCJ-SXGWCWSVSA-N 0 0 417.723 6.547 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000012558346 558427622 /nfs/dbraw/zinc/42/76/22/558427622.db2.gz DYRIQPWQYDZHJE-QNGOZBTKSA-N 0 0 410.502 5.407 50 10 HKCARN Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000012559080 558427551 /nfs/dbraw/zinc/42/75/51/558427551.db2.gz GOHNNPWQCNZHHD-XKZIYDEJSA-N 0 0 423.438 5.919 50 10 HKCARN C[C@@H](SCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1nc2ccccc2[nH]1 ZINC000012559917 132363940 /nfs/dbraw/zinc/36/39/40/132363940.db2.gz GIKYEOJGJVSQRX-GOSISDBHSA-N 0 0 422.598 5.006 50 10 HKCARN C[C@H](SCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1nc2ccccc2[nH]1 ZINC000012559919 132363926 /nfs/dbraw/zinc/36/39/26/132363926.db2.gz GIKYEOJGJVSQRX-SFHVURJKSA-N 0 0 422.598 5.006 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)C1=CNc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000012561901 568858689 /nfs/dbraw/zinc/85/86/89/568858689.db2.gz XOZJSHKNHZNBOB-CYVLTUHYSA-N 0 0 405.542 5.706 50 10 HKCARN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000012562514 558428117 /nfs/dbraw/zinc/42/81/17/558428117.db2.gz BBFZIHYUMPIFCK-BOPFTXTBSA-N 0 0 407.322 5.710 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000012576522 569291711 /nfs/dbraw/zinc/29/17/11/569291711.db2.gz XOGKIEZPSNRRHK-HMAPJEAMSA-N 0 0 415.880 5.398 50 10 HKCARN O=C1C(=Cc2ccccc2Cl)SC(=S)N1N=c1[nH]c2ccccc2s1 ZINC000012580233 558432346 /nfs/dbraw/zinc/43/23/46/558432346.db2.gz UBZLLQMZXAXDTF-ZROIWOOFSA-N 0 0 403.941 5.178 50 10 HKCARN O=C(CSc1ccc2ccccc2c1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000012600188 568869690 /nfs/dbraw/zinc/86/96/90/568869690.db2.gz LXJYIWMXXJLCGH-UHFFFAOYSA-N 0 0 423.493 5.346 50 10 HKCARN Cc1cc(C(=O)CSc2nnc(-c3ccccc3)o2)c(C)n1-c1ccc(C)cc1 ZINC000012608370 568871428 /nfs/dbraw/zinc/87/14/28/568871428.db2.gz BDMJYSHELAJYTL-UHFFFAOYSA-N 0 0 403.507 5.428 50 10 HKCARN CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S ZINC000012614478 558439177 /nfs/dbraw/zinc/43/91/77/558439177.db2.gz LWYSVZHGJYWIGJ-CPNJWEJPSA-N 0 0 423.538 5.290 50 10 HKCARN CC(C)(C)c1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000012615011 558439083 /nfs/dbraw/zinc/43/90/83/558439083.db2.gz FIAPHRBPRJMCAC-ODLFYWEKSA-N 0 0 411.548 5.114 50 10 HKCARN CC[C@@H](C)N1C(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)SC1=S ZINC000012615160 522105656 /nfs/dbraw/zinc/10/56/56/522105656.db2.gz ZKUSORSMIGUWPK-HPUUJOOBSA-N 0 0 422.369 5.709 50 10 HKCARN CC[C@H](C)N1C(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)SC1=S ZINC000012615164 523945646 /nfs/dbraw/zinc/94/56/46/523945646.db2.gz ZKUSORSMIGUWPK-YAFRSCOQSA-N 0 0 422.369 5.709 50 10 HKCARN Cc1cc([C@@](O)(c2nc3ccccc3s2)C(F)(F)F)c(C)n1-c1ccc(C)cc1 ZINC000012619456 568872420 /nfs/dbraw/zinc/87/24/20/568872420.db2.gz VPIYPLIUHCGJQI-OAQYLSRUSA-N 0 0 416.468 5.810 50 10 HKCARN Cc1cc([C@](O)(c2nc3ccccc3s2)C(F)(F)F)c(C)n1-c1ccc(C)cc1 ZINC000012619461 568872441 /nfs/dbraw/zinc/87/24/41/568872441.db2.gz VPIYPLIUHCGJQI-NRFANRHFSA-N 0 0 416.468 5.810 50 10 HKCARN Cc1cc(C(=O)CSc2cc(C)c3ccccc3n2)c(C)n1-c1cccc(F)c1 ZINC000012625030 569402187 /nfs/dbraw/zinc/40/21/87/569402187.db2.gz NJOIUABAGWJVGJ-UHFFFAOYSA-N 0 0 404.510 6.065 50 10 HKCARN COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@H]21 ZINC000012628032 558440623 /nfs/dbraw/zinc/44/06/23/558440623.db2.gz BDNLEIWCPBBREO-PJIJBLCYSA-N 0 0 424.260 6.303 50 10 HKCARN COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OC ZINC000012628173 558440548 /nfs/dbraw/zinc/44/05/48/558440548.db2.gz FTQLDMVTJMBLFI-VFVRVIDISA-N 0 0 422.269 5.571 50 10 HKCARN CC[C@@H](C)Oc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br ZINC000012628188 558440482 /nfs/dbraw/zinc/44/04/82/558440482.db2.gz LKUMCYYTYFPFIC-CRRKTRLDSA-N 0 0 413.315 5.433 50 10 HKCARN CC[C@H](C)Oc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br ZINC000012628191 558440465 /nfs/dbraw/zinc/44/04/65/558440465.db2.gz LKUMCYYTYFPFIC-QCUKBLKESA-N 0 0 413.315 5.433 50 10 HKCARN COc1cccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@H]32)c1OC ZINC000012628243 558440601 /nfs/dbraw/zinc/44/06/01/558440601.db2.gz BOKUEZDPRWVPMX-SNUQEOBHSA-N 0 0 404.279 5.432 50 10 aggregator HKCARN CCc1cccc(C)c1N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000012628659 558440817 /nfs/dbraw/zinc/44/08/17/558440817.db2.gz GHNPDLGDBGAURB-MOSHPQCFSA-N 0 0 423.534 6.362 50 10 HKCARN CC1=NN(c2cccc(C)c2)C(=O)/C1=C\c1ccc(-c2ccccc2Br)o1 ZINC000012630374 558441616 /nfs/dbraw/zinc/44/16/16/558441616.db2.gz ZAVSURCFVVPGAN-UYRXBGFRSA-N 0 0 421.294 5.824 50 10 HKCARN Cc1ccsc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C ZINC000012637218 568883759 /nfs/dbraw/zinc/88/37/59/568883759.db2.gz KIDCWPMEGOLBDL-UHFFFAOYSA-N 0 0 419.449 5.105 50 10 HKCARN O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000012652757 558444327 /nfs/dbraw/zinc/44/43/27/558444327.db2.gz ATKBNSXCEOASEW-AUWJEWJLSA-N 0 0 418.729 6.192 50 10 HKCARN O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000012652762 558444320 /nfs/dbraw/zinc/44/43/20/558444320.db2.gz YNHNMHUESAPDDS-AUWJEWJLSA-N 0 0 402.274 5.677 50 10 HKCARN CCN(CC)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000012691345 535689082 /nfs/dbraw/zinc/68/90/82/535689082.db2.gz MQSMEQVXBCJIMW-XMMPIXPASA-N 0 0 415.493 5.033 50 10 HKCARN CCN(CC)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000012691353 535688989 /nfs/dbraw/zinc/68/89/89/535688989.db2.gz MQSMEQVXBCJIMW-DEOSSOPVSA-N 0 0 415.493 5.033 50 10 HKCARN O=C1/C(=C/c2ccc(-c3ccccc3Cl)s2)SC(=S)N1c1cccnc1 ZINC000012757281 568944244 /nfs/dbraw/zinc/94/42/44/568944244.db2.gz FVKGCWMOYXCRDE-YVLHZVERSA-N 0 0 414.964 5.869 50 10 HKCARN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000012807566 558474349 /nfs/dbraw/zinc/47/43/49/558474349.db2.gz FOLJNTIADWOFLO-ATVHPVEESA-N 0 0 417.328 5.165 50 10 HKCARN Cc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c(C)n1-c1cccc2ccccc21 ZINC000012885904 558483277 /nfs/dbraw/zinc/48/32/77/558483277.db2.gz JGKCOUAGXWTGKC-RKQNKVCSSA-N 0 0 412.518 5.414 50 10 HKCARN O=C(c1oc2ccccc2c1-c1cnn(-c2ccccc2)c1)N1CCc2ccccc21 ZINC000012920768 569023178 /nfs/dbraw/zinc/02/31/78/569023178.db2.gz WUYKKYZFDBLAJY-UHFFFAOYSA-N 0 0 405.457 5.488 50 10 HKCARN Cc1ccc(COc2ccc(C=C3SC(Nc4cccc(C)c4)=NC3=O)cc2)cc1 ZINC000013039038 558505936 /nfs/dbraw/zinc/50/59/36/558505936.db2.gz VHUSFIMWYSQRJG-HAHDFKILSA-N 0 0 414.530 5.965 50 10 HKCARN COc1cc(C=C2SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OCC(C)C ZINC000013041966 558507709 /nfs/dbraw/zinc/50/77/09/558507709.db2.gz HXIILHNXXXMJQB-MTJSOVHGSA-N 0 0 410.539 5.429 50 10 HKCARN CCOc1cc(C=C2SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OC(F)F ZINC000013041970 558507676 /nfs/dbraw/zinc/50/76/76/558507676.db2.gz NBVLIGANVIUYEI-WQRHYEAKSA-N 0 0 418.465 5.386 50 10 HKCARN Cc1ccc(COc2ccc(C=C3SC(Nc4ccccc4)=NC3=O)cc2)cc1 ZINC000013041972 558507662 /nfs/dbraw/zinc/50/76/62/558507662.db2.gz IABPJUBGSSDZKK-JCMHNJIXSA-N 0 0 400.503 5.656 50 10 HKCARN CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)cc1OC ZINC000013063160 558510200 /nfs/dbraw/zinc/51/02/00/558510200.db2.gz RHKWRWBLECIVBT-BOPFTXTBSA-N 0 0 405.928 5.153 50 10 HKCARN CC(C)c1ccc(N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000013070674 569408606 /nfs/dbraw/zinc/40/86/06/569408606.db2.gz BQAASRVTJAFUMI-INIZCTEOSA-N 0 0 412.489 5.025 50 10 HKCARN CC(C)c1ccc(N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000013070676 569408590 /nfs/dbraw/zinc/40/85/90/569408590.db2.gz BQAASRVTJAFUMI-MRXNPFEDSA-N 0 0 412.489 5.025 50 10 HKCARN Cc1cc(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000013096048 558512830 /nfs/dbraw/zinc/51/28/30/558512830.db2.gz DAVWJTUEAHBVDS-UHFFFAOYSA-N 0 0 420.267 5.580 50 10 HKCARN O=C(c1ccccc1)N1N=C(c2ccccc2O)C[C@H]1c1ccc(Br)cc1 ZINC000013121887 558517508 /nfs/dbraw/zinc/51/75/08/558517508.db2.gz KJVCBZOAOWMSJT-FQEVSTJZSA-N 0 0 421.294 5.146 50 10 HKCARN O=C(c1ccccc1)N1N=C(c2ccccc2O)C[C@@H]1c1ccc(Br)cc1 ZINC000013121888 558517527 /nfs/dbraw/zinc/51/75/27/558517527.db2.gz KJVCBZOAOWMSJT-HXUWFJFHSA-N 0 0 421.294 5.146 50 10 HKCARN CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2cccs2)cc1 ZINC000013140418 558521955 /nfs/dbraw/zinc/52/19/55/558521955.db2.gz XFGYWZZFLOUEQF-BGWNEDDSSA-N 0 0 412.599 5.103 50 10 HKCARN CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2cccs2)cc1 ZINC000013140420 558521931 /nfs/dbraw/zinc/52/19/31/558521931.db2.gz XFGYWZZFLOUEQF-KIFXHHALSA-N 0 0 412.599 5.103 50 10 HKCARN Cc1cc(C(=O)COc2cccc(Cl)c2Cl)c(C)n1-c1ccc2c(c1)OCO2 ZINC000013141863 558522388 /nfs/dbraw/zinc/52/23/88/558522388.db2.gz APAAEVJIVAFCJI-UHFFFAOYSA-N 0 0 418.276 5.391 50 10 HKCARN Cc1cc(C(=O)COC(=O)c2c3c(nc4ccccc42)CCC3)c(C)n1-c1ccccc1 ZINC000013142030 569409970 /nfs/dbraw/zinc/40/99/70/569409970.db2.gz LZVBMLODTANPLS-UHFFFAOYSA-N 0 0 424.500 5.171 50 10 HKCARN O=C1Nc2ccccc2/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000013148017 558523345 /nfs/dbraw/zinc/52/33/45/558523345.db2.gz PSTZLKOGDIHRHI-JAIQZWGSSA-N 0 0 419.311 6.489 50 10 HKCARN O=C1/C(=C\c2c[nH]c3ccc(Br)cc23)c2ccccc2N1c1ccccc1 ZINC000013148055 569410098 /nfs/dbraw/zinc/41/00/98/569410098.db2.gz ZILQUDKMKVGRFF-NDENLUEZSA-N 0 0 415.290 6.149 50 10 HKCARN O=C1Nc2ccccc2/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000013148150 558523395 /nfs/dbraw/zinc/52/33/95/558523395.db2.gz LWZFGHIRDOZUNN-UNOMPAQXSA-N 0 0 419.311 6.489 50 10 HKCARN COc1cc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@H]32)cc(Br)c1OC ZINC000013152794 558524107 /nfs/dbraw/zinc/52/41/07/558524107.db2.gz OSSFWALRIZNRFB-VFVRVIDISA-N 0 0 404.279 5.432 50 10 HKCARN O=C1/C(=C\c2ccccn2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000013205671 558525497 /nfs/dbraw/zinc/52/54/97/558525497.db2.gz TZIVOGYHYMYKRI-NTUHNPAUSA-N 0 0 400.834 5.160 50 10 HKCARN CC1=CN2C(=NC(=O)/C(=C\c3cn(Cc4ccc(C)cc4)c4ccccc34)C2=N)S1 ZINC000013213654 558525881 /nfs/dbraw/zinc/52/58/81/558525881.db2.gz GIGGVQZQNKKVLB-GCXSFWCZSA-N 0 0 412.518 5.165 50 10 HKCARN Cc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000013217551 558526202 /nfs/dbraw/zinc/52/62/02/558526202.db2.gz HYIYISKBWYVWBD-JFBLTNLISA-N 0 0 414.893 5.054 50 10 HKCARN Cc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000013217557 558526263 /nfs/dbraw/zinc/52/62/63/558526263.db2.gz QRBKPGMONBGFLJ-ARBPROEFSA-N 0 0 412.518 5.414 50 10 HKCARN CC1=CN2C(=NC(=O)/C(=C\c3cn(Cc4ccccc4C)c4ccccc34)C2=N)S1 ZINC000013217578 558526167 /nfs/dbraw/zinc/52/61/67/558526167.db2.gz FWFJVHPGEJVBDT-GCXSFWCZSA-N 0 0 412.518 5.165 50 10 HKCARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1cccc2ccccc21 ZINC000013217597 558526192 /nfs/dbraw/zinc/52/61/92/558526192.db2.gz WJRZRJKHTMZSJR-RLRFCYPDSA-N 0 0 412.518 5.414 50 10 HKCARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000013217627 558526205 /nfs/dbraw/zinc/52/62/05/558526205.db2.gz CVHDCXAJTGKCEN-GPXJOPDISA-N 0 0 412.518 5.414 50 10 HKCARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000013217664 558526216 /nfs/dbraw/zinc/52/62/16/558526216.db2.gz CRVSWHJGFMPKEN-JHBSOEOQSA-N 0 0 414.893 5.054 50 10 HKCARN Cc1cnc2ccc(I)cc2c1/C=C/c1ccc(N(C)C)cc1 ZINC000013222473 569251112 /nfs/dbraw/zinc/25/11/12/569251112.db2.gz HQGZMWIZDZHHQO-UXBLZVDNSA-N 0 0 414.290 5.384 50 10 HKCARN O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000013228184 569410320 /nfs/dbraw/zinc/41/03/20/569410320.db2.gz KFZMKDFYKJWSSH-ZSOIEALJSA-N 0 0 406.319 5.276 50 10 HKCARN O=C1/C(=C/c2ccccn2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000013228296 569410318 /nfs/dbraw/zinc/41/03/18/569410318.db2.gz TZIVOGYHYMYKRI-QPEQYQDCSA-N 0 0 400.834 5.160 50 10 HKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1Cc1ccccc1 ZINC000013304520 558529689 /nfs/dbraw/zinc/52/96/89/558529689.db2.gz NPCLQZCJNCICSH-XDHOZWIPSA-N 0 0 411.935 6.001 50 10 HKCARN Cc1ccc(NC(=O)N2CCN(c3ccc(OCc4ccccc4)cc3)CC2)cc1F ZINC000013320319 132455075 /nfs/dbraw/zinc/45/50/75/132455075.db2.gz UQFYZUONQUEBQY-UHFFFAOYSA-N 0 0 419.500 5.067 50 10 HKCARN COc1cc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC ZINC000013361797 558530268 /nfs/dbraw/zinc/53/02/68/558530268.db2.gz OTACQGMJJDPBBO-VBHSOAQHSA-N 0 0 420.734 5.946 50 10 biogenic HKCARN CN(C)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000013382007 558531211 /nfs/dbraw/zinc/53/12/11/558531211.db2.gz UPJHSOFKQIYLRR-VWNXMTODSA-N 0 0 421.903 5.787 50 10 HKCARN CN(C)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000013382008 558531152 /nfs/dbraw/zinc/53/11/52/558531152.db2.gz UPJHSOFKQIYLRR-ISKFKSNPSA-N 0 0 421.903 5.787 50 10 HKCARN S=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCOCC1 ZINC000013389093 558531242 /nfs/dbraw/zinc/53/12/42/558531242.db2.gz ZEGDBONIDWCBOQ-UHFFFAOYSA-N 0 0 424.529 5.118 50 10 HKCARN COc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000013389206 569000513 /nfs/dbraw/zinc/00/05/13/569000513.db2.gz KVGKTBJNHOCAGT-LPMFXHHGSA-N 0 0 401.260 5.192 50 10 HKCARN CCCC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1cc(Cl)c2cccnc2c1O ZINC000013402226 558531574 /nfs/dbraw/zinc/53/15/74/558531574.db2.gz FHZWPXVIPFVYMQ-SFHVURJKSA-N 0 0 423.727 5.906 50 10 HKCARN CCCC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1cc(Cl)c2cccnc2c1O ZINC000013402230 558531462 /nfs/dbraw/zinc/53/14/62/558531462.db2.gz FHZWPXVIPFVYMQ-GOSISDBHSA-N 0 0 423.727 5.906 50 10 HKCARN CCc1cc(C)cc(OCCn2cc(C=C3SC(=S)NC3=O)c3ccccc32)c1 ZINC000013402356 558531558 /nfs/dbraw/zinc/53/15/58/558531558.db2.gz QLLLJXWHKQLHOB-FYJGNVAPSA-N 0 0 422.575 5.080 50 10 HKCARN COc1cc([C@@H]2Nc3c(C)cccc3[C@@H]3C=CC[C@H]32)cc(Br)c1OC ZINC000013425205 569004545 /nfs/dbraw/zinc/00/45/45/569004545.db2.gz XBJNOLZWBKIZPE-NBQZKYEYSA-N 0 0 400.316 5.601 50 10 HKCARN O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1ccccc1 ZINC000013426451 558532625 /nfs/dbraw/zinc/53/26/25/558532625.db2.gz OUVKDNSZSHZDQN-LDADJPATSA-N 0 0 408.460 5.261 50 10 HKCARN Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1ccccc1 ZINC000013496531 558535106 /nfs/dbraw/zinc/53/51/06/558535106.db2.gz PRJNSIPLRBVJID-RNJGGXIZSA-N 0 0 424.529 5.398 50 10 HKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(c2ccccc2)=NN1c1ccccc1 ZINC000013512951 558536139 /nfs/dbraw/zinc/53/61/39/558536139.db2.gz VSRAKSZJEXWQGO-QJOMJCCJSA-N 0 0 424.887 6.435 50 10 HKCARN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1cccc2ccccc21 ZINC000013517467 558536325 /nfs/dbraw/zinc/53/63/25/558536325.db2.gz ZAHILMKREZFVAI-FYJGNVAPSA-N 0 0 421.543 5.258 50 10 HKCARN O=C1N=C(c2ccc(Br)cc2)S/C1=C\c1c(Cl)cccc1Cl ZINC000013525049 569000305 /nfs/dbraw/zinc/00/03/05/569000305.db2.gz QJHIGXIUYPRNJN-ZSOIEALJSA-N 0 0 413.123 5.817 50 10 HKCARN CCCCCCn1c2ccccc2nc1NCc1cc(Br)ccc1O ZINC000013535670 558537284 /nfs/dbraw/zinc/53/72/84/558537284.db2.gz FKAMNBDKFVTICX-UHFFFAOYSA-N 0 0 402.336 5.697 50 10 HKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000013547374 558538292 /nfs/dbraw/zinc/53/82/92/558538292.db2.gz UJZDOKLZHIVIGT-IEMQHYRPSA-N 0 0 404.354 5.412 50 10 HKCARN Cc1ccc(COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)cc1 ZINC000013547595 558538316 /nfs/dbraw/zinc/53/83/16/558538316.db2.gz SIPFRMLYKSFYCH-JCMHNJIXSA-N 0 0 417.555 5.980 50 10 HKCARN Cc1ccc(COc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)cc1 ZINC000013547598 558538290 /nfs/dbraw/zinc/53/82/90/558538290.db2.gz XHCLJNOCEOPFOZ-JCMHNJIXSA-N 0 0 417.555 5.980 50 10 HKCARN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1cccc2ccccc21 ZINC000013549101 560815507 /nfs/dbraw/zinc/81/55/07/560815507.db2.gz CWZRTQVXLQFZAV-UYRXBGFRSA-N 0 0 406.283 5.321 50 10 HKCARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000013549391 558538727 /nfs/dbraw/zinc/53/87/27/558538727.db2.gz OKAIYTIXOVZLQY-JCMHNJIXSA-N 0 0 405.494 5.086 50 10 HKCARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000013549394 558538684 /nfs/dbraw/zinc/53/86/84/558538684.db2.gz AUVCGMURVNNDIY-KQWNVCNZSA-N 0 0 413.473 5.116 50 10 HKCARN Brc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000013553063 558539873 /nfs/dbraw/zinc/53/98/73/558539873.db2.gz ZXQVEPXPKIJYQR-RKVPGOIHSA-N 0 0 405.133 6.038 50 10 HKCARN Cc1cc(I)cc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 ZINC000013562251 558540592 /nfs/dbraw/zinc/54/05/92/558540592.db2.gz WVZQWGLWOHMWAG-JTDSTZFVSA-N 0 0 405.254 5.565 50 10 HKCARN Cc1cc(I)cc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21 ZINC000013562252 558540552 /nfs/dbraw/zinc/54/05/52/558540552.db2.gz WVZQWGLWOHMWAG-GPMSIDNRSA-N 0 0 405.254 5.565 50 10 HKCARN O=C(Nc1ccc(F)cc1)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000013562590 560816012 /nfs/dbraw/zinc/81/60/12/560816012.db2.gz MEQVVKZOQVQQOC-UHFFFAOYSA-N 0 0 417.443 6.481 50 10 HKCARN O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1Cc1ccco1 ZINC000013573616 558542789 /nfs/dbraw/zinc/54/27/89/558542789.db2.gz FAVIEKHNXCLRPT-LICLKQGHSA-N 0 0 401.896 5.594 50 10 HKCARN O=C(Oc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1)c1ccccc1 ZINC000013574926 558543206 /nfs/dbraw/zinc/54/32/06/558543206.db2.gz JCVUJFBHHWUQIY-HKWRFOASSA-N 0 0 417.511 5.312 50 10 HKCARN Cc1cccc(C(=O)COC(=O)c2sc3nc(-c4ccccc4)c(C)cc3c2N)c1 ZINC000013575485 569256123 /nfs/dbraw/zinc/25/61/23/569256123.db2.gz LVWITOHSKRIWEV-UHFFFAOYSA-N 0 0 416.502 5.202 50 10 HKCARN Cc1cc2c(N)c(C(=O)OCC(=O)c3ccc(F)cc3)sc2nc1-c1ccccc1 ZINC000013575504 569256117 /nfs/dbraw/zinc/25/61/17/569256117.db2.gz PYCKVFFFZNNXAZ-UHFFFAOYSA-N 0 0 420.465 5.033 50 10 HKCARN Cc1ccc(C(=O)COC(=O)c2sc3nc(-c4ccccc4)c(C)cc3c2N)cc1 ZINC000013575508 569256152 /nfs/dbraw/zinc/25/61/52/569256152.db2.gz QGEQROJMDDYOIB-UHFFFAOYSA-N 0 0 416.502 5.202 50 10 HKCARN Cc1[nH]c2ccccc2c1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000013590156 558545848 /nfs/dbraw/zinc/54/58/48/558545848.db2.gz MWIMHTJDBWEHAQ-YVLHZVERSA-N 0 0 418.465 5.901 50 10 HKCARN CCN1c2cc(Cl)ccc2S/C1=C1/SC(=S)N(C2CCCCC2)C1=O ZINC000013590449 558545966 /nfs/dbraw/zinc/54/59/66/558545966.db2.gz JQVYRHXHJCWUBF-BMRADRMJSA-N 0 0 411.017 5.634 50 10 HKCARN Cc1cc(I)cc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000013590545 558545890 /nfs/dbraw/zinc/54/58/90/558545890.db2.gz HUJYBDLEDPBIRX-TYILLQQXSA-N 0 0 421.709 6.080 50 10 HKCARN Cc1cc(I)cc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000013590547 558545885 /nfs/dbraw/zinc/54/58/85/558545885.db2.gz HUJYBDLEDPBIRX-LPMFXHHGSA-N 0 0 421.709 6.080 50 10 HKCARN CCOc1ccc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1 ZINC000013597118 558547328 /nfs/dbraw/zinc/54/73/28/558547328.db2.gz MLGXFICJCLRAOT-XLNRJJMWSA-N 0 0 406.551 5.010 50 10 HKCARN CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2)cc1 ZINC000013598560 558846775 /nfs/dbraw/zinc/84/67/75/558846775.db2.gz YXJXXEZXZFMOLP-PXLXIMEGSA-N 0 0 417.306 5.922 50 10 HKCARN CC(C)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1 ZINC000013601318 558547591 /nfs/dbraw/zinc/54/75/91/558547591.db2.gz FZWZMHPPIMPAKE-BOPFTXTBSA-N 0 0 416.955 5.010 50 10 HKCARN CCOC(=O)c1ccc(/C=C2/C=C(c3ccccc3)N(c3ccccc3C)C2=O)cc1 ZINC000013601373 558547551 /nfs/dbraw/zinc/54/75/51/558547551.db2.gz UFKLFJXGPQBDTQ-QJOMJCCJSA-N 0 0 409.485 5.643 50 10 HKCARN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1C1CCCCC1 ZINC000013602691 558846722 /nfs/dbraw/zinc/84/67/22/558846722.db2.gz DIIVAZCRTXWVKP-PDGQHHTCSA-N 0 0 414.508 5.389 50 10 HKCARN O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1C1CCCCC1 ZINC000013602695 558547828 /nfs/dbraw/zinc/54/78/28/558547828.db2.gz CPSDYKFFOGXJPM-PDGQHHTCSA-N 0 0 414.508 5.389 50 10 HKCARN Cc1cn(-c2ccccc2)c(C)c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000013602842 558547785 /nfs/dbraw/zinc/54/77/85/558547785.db2.gz ZPCLRUMZTGLQCJ-BKUYFWCQSA-N 0 0 404.560 5.496 50 10 HKCARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000013602899 558547837 /nfs/dbraw/zinc/54/78/37/558547837.db2.gz SJEFUDIBSPMDCG-WJDWOHSUSA-N 0 0 402.277 5.261 50 10 HKCARN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000013603089 569256556 /nfs/dbraw/zinc/25/65/56/569256556.db2.gz BNCDOZYZARUHDZ-JCMHNJIXSA-N 0 0 402.881 5.725 50 10 HKCARN O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1Cc1ccccc1 ZINC000013603189 558547872 /nfs/dbraw/zinc/54/78/72/558547872.db2.gz MOTDAMNXJRIWHT-XDHOZWIPSA-N 0 0 422.487 5.256 50 10 HKCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 ZINC000013615431 558549474 /nfs/dbraw/zinc/54/94/74/558549474.db2.gz LFJRRMWGJUWZMX-NQCMUKECSA-N 0 0 405.281 6.127 50 10 HKCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 ZINC000013615433 558549396 /nfs/dbraw/zinc/54/93/96/558549396.db2.gz LFJRRMWGJUWZMX-VPZZIHKRSA-N 0 0 405.281 6.127 50 10 HKCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000013615445 558549451 /nfs/dbraw/zinc/54/94/51/558549451.db2.gz FFCHPLAHVHEEJE-JTDSTZFVSA-N 0 0 415.287 5.583 50 10 HKCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21 ZINC000013615448 558549421 /nfs/dbraw/zinc/54/94/21/558549421.db2.gz FFCHPLAHVHEEJE-GPMSIDNRSA-N 0 0 415.287 5.583 50 10 HKCARN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000013615521 558549426 /nfs/dbraw/zinc/54/94/26/558549426.db2.gz RAURYULKSQUDIB-RVKKMQEKSA-N 0 0 401.260 5.192 50 10 HKCARN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21 ZINC000013615524 558549446 /nfs/dbraw/zinc/54/94/46/558549446.db2.gz RAURYULKSQUDIB-IIDMSEBBSA-N 0 0 401.260 5.192 50 10 HKCARN Oc1ccc(Br)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000013616337 558549609 /nfs/dbraw/zinc/54/96/09/558549609.db2.gz CZSSBUYCKMDHGH-UGKGYDQZSA-N 0 0 421.294 5.397 50 10 HKCARN Oc1ccc(Br)cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000013616338 558549637 /nfs/dbraw/zinc/54/96/37/558549637.db2.gz CZSSBUYCKMDHGH-KNQAVFIVSA-N 0 0 421.294 5.397 50 10 HKCARN Oc1ccc(Cl)cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000013616435 558549596 /nfs/dbraw/zinc/54/95/96/558549596.db2.gz SXCVFKLKDGHZRL-SIKLNZKXSA-N 0 0 411.288 5.941 50 10 HKCARN Oc1ccc(Cl)cc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000013616437 558549650 /nfs/dbraw/zinc/54/96/50/558549650.db2.gz SXCVFKLKDGHZRL-DENIHFKCSA-N 0 0 411.288 5.941 50 10 HKCARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000013616491 558549648 /nfs/dbraw/zinc/54/96/48/558549648.db2.gz YXDFXSZPPISLIO-ZCYQVOJMSA-N 0 0 417.940 5.957 50 10 HKCARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000013616492 558549612 /nfs/dbraw/zinc/54/96/12/558549612.db2.gz YXDFXSZPPISLIO-NOZRDPDXSA-N 0 0 417.940 5.957 50 10 HKCARN Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000013616641 558549905 /nfs/dbraw/zinc/54/99/05/558549905.db2.gz FDLQGUXJBVXSPT-JXFKEZNVSA-N 0 0 417.317 6.003 50 10 HKCARN Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000013616643 558549912 /nfs/dbraw/zinc/54/99/12/558549912.db2.gz FDLQGUXJBVXSPT-UZLBHIALSA-N 0 0 417.317 6.003 50 10 HKCARN COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O ZINC000013617713 558848190 /nfs/dbraw/zinc/84/81/90/558848190.db2.gz FKMGNNYORZNEIJ-DHDCSXOGSA-N 0 0 424.316 5.003 50 10 HKCARN CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000013618468 558550145 /nfs/dbraw/zinc/55/01/45/558550145.db2.gz WYVIUUSDJGXVPJ-BOPFTXTBSA-N 0 0 405.928 5.153 50 10 HKCARN CCOc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000013618489 558550135 /nfs/dbraw/zinc/55/01/35/558550135.db2.gz PHXYGSZQUDUMKL-YVLHZVERSA-N 0 0 405.928 5.153 50 10 HKCARN CCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC ZINC000013618973 558848379 /nfs/dbraw/zinc/84/83/79/558848379.db2.gz IDZDWDVAPRHBHT-MFOYZWKCSA-N 0 0 423.918 5.292 50 10 HKCARN O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000013632885 558552768 /nfs/dbraw/zinc/55/27/68/558552768.db2.gz IASYTKQGFQJPHK-MPGHIAIKSA-N 0 0 418.234 5.026 50 10 HKCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 ZINC000013633892 558552972 /nfs/dbraw/zinc/55/29/72/558552972.db2.gz VUQBUKWYEPSWLI-TYILLQQXSA-N 0 0 415.287 5.583 50 10 HKCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@@H]21 ZINC000013633895 558553001 /nfs/dbraw/zinc/55/30/01/558553001.db2.gz VUQBUKWYEPSWLI-LPMFXHHGSA-N 0 0 415.287 5.583 50 10 HKCARN COc1ccc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)c(OC)c1 ZINC000013645090 558556387 /nfs/dbraw/zinc/55/63/87/558556387.db2.gz NKNWABYHSCCEMJ-NDENLUEZSA-N 0 0 407.516 5.263 50 10 HKCARN CC(=C\c1ccccc1)/C=C1\SC(=S)N(c2ccc(Br)cc2)C1=O ZINC000013661050 558851699 /nfs/dbraw/zinc/85/16/99/558851699.db2.gz IGLLTOLXOCIACE-YMGXUNRSSA-N 0 0 416.365 5.801 50 10 HKCARN CCOc1cc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)ccc1O ZINC000013661173 558559691 /nfs/dbraw/zinc/55/96/91/558559691.db2.gz SMUWEUHTBOGSTD-NDENLUEZSA-N 0 0 407.516 5.350 50 10 HKCARN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cc(C)cc(C)c1 ZINC000013661296 558559712 /nfs/dbraw/zinc/55/97/12/558559712.db2.gz AQOHOSGMSHELRG-LTGZKZEYSA-N 0 0 404.539 5.802 50 10 HKCARN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O ZINC000013661905 558559954 /nfs/dbraw/zinc/55/99/54/558559954.db2.gz JAVUGGZZMJYRPP-CHHVJCJISA-N 0 0 412.319 5.113 50 10 HKCARN O=C(OC1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000013662106 558559886 /nfs/dbraw/zinc/55/98/86/558559886.db2.gz HMJZOWULXOKDED-LGVFNWMJSA-N 0 0 407.941 6.656 50 10 HKCARN O=C(OC1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000013662109 558559973 /nfs/dbraw/zinc/55/99/73/558559973.db2.gz HMJZOWULXOKDED-PQNGQFLHSA-N 0 0 407.941 6.656 50 10 HKCARN COc1cc(/C=C2\SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)ccc1O ZINC000013689424 558571831 /nfs/dbraw/zinc/57/18/31/558571831.db2.gz CBQKRGNQVRROSO-WCSRMQSCSA-N 0 0 412.319 5.113 50 10 HKCARN COc1cccc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)c1OC ZINC000013689786 558571991 /nfs/dbraw/zinc/57/19/91/558571991.db2.gz DXHAAXPSRYKPLP-UYRXBGFRSA-N 0 0 407.516 5.263 50 10 HKCARN CCCCc1cc(=O)oc2c1ccc(O)c2CNc1ccc(Oc2ccccc2)cc1 ZINC000013692628 558573922 /nfs/dbraw/zinc/57/39/22/558573922.db2.gz YFLKFPVXGLRVPE-UHFFFAOYSA-N 0 0 415.489 6.246 50 10 HKCARN CCOc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000013712201 558576437 /nfs/dbraw/zinc/57/64/37/558576437.db2.gz WZUYBTOBEHHKBX-YBEGLDIGSA-N 0 0 409.454 5.510 50 10 HKCARN CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCc1ccccc1 ZINC000013713445 558577343 /nfs/dbraw/zinc/57/73/43/558577343.db2.gz IHVLDDKYAGWRGT-MOSHPQCFSA-N 0 0 413.564 5.274 50 10 HKCARN CN(C)c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000013713803 558577593 /nfs/dbraw/zinc/57/75/93/558577593.db2.gz NDAYTWYSEQCVDV-YBEGLDIGSA-N 0 0 408.470 5.177 50 10 HKCARN COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)c1 ZINC000013714736 558578288 /nfs/dbraw/zinc/57/82/88/558578288.db2.gz LSGICXVKWKNVSI-MOSHPQCFSA-N 0 0 407.516 5.263 50 10 HKCARN CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1 ZINC000013715076 558578754 /nfs/dbraw/zinc/57/87/54/558578754.db2.gz WMAXHDXKYUWHDG-PDGQHHTCSA-N 0 0 423.588 5.140 50 10 HKCARN CC(C)c1ccc(/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)cc1 ZINC000013752221 558590152 /nfs/dbraw/zinc/59/01/52/558590152.db2.gz HRUCPOXLJTXBQN-BIWIXZEJSA-N 0 0 420.563 5.320 50 10 HKCARN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(N(CC)CC)cc1 ZINC000013756930 558864906 /nfs/dbraw/zinc/86/49/06/558864906.db2.gz ZVTYKLWULZFUFU-PGMHBOJBSA-N 0 0 406.486 5.027 50 10 HKCARN CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2cccc(F)c2)cc1 ZINC000013758481 558590784 /nfs/dbraw/zinc/59/07/84/558590784.db2.gz BCYLGMCDRWDCON-BFLUCZKCSA-N 0 0 424.560 5.180 50 10 HKCARN CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2cccc(F)c2)cc1 ZINC000013758484 558590860 /nfs/dbraw/zinc/59/08/60/558590860.db2.gz BCYLGMCDRWDCON-DGWZTRNLSA-N 0 0 424.560 5.180 50 10 HKCARN Clc1ccc(/N=N/c2c3ccccc3[nH]c2-c2ccc(Cc3ccccc3)cc2)cc1 ZINC000013763933 558591035 /nfs/dbraw/zinc/59/10/35/558591035.db2.gz ALBTUWFQYNOBER-NVQSTNCTSA-N 0 0 421.931 8.495 50 10 HKCARN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000013766191 558865983 /nfs/dbraw/zinc/86/59/83/558865983.db2.gz ZBALHOCGKTYSMW-BOPFTXTBSA-N 0 0 407.322 5.710 50 10 HKCARN Cn1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c2ccccc21 ZINC000013769798 558867544 /nfs/dbraw/zinc/86/75/44/558867544.db2.gz UCGNZTZCGQPFMS-IUXPMGMMSA-N 0 0 402.903 5.377 50 10 HKCARN Cn1cc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)c2ccccc21 ZINC000013769831 558591690 /nfs/dbraw/zinc/59/16/90/558591690.db2.gz KRWSBWAYLUVXLE-BKUYFWCQSA-N 0 0 400.528 5.737 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1Cl ZINC000013773529 558592060 /nfs/dbraw/zinc/59/20/60/558592060.db2.gz LLAKCYHWWYXNRR-QNGOZBTKSA-N 0 0 402.881 5.725 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000013774485 558592230 /nfs/dbraw/zinc/59/22/30/558592230.db2.gz REMYWQVJWSXDCH-JCMHNJIXSA-N 0 0 402.881 5.725 50 10 HKCARN COCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S ZINC000013774981 558592268 /nfs/dbraw/zinc/59/22/68/558592268.db2.gz IRRVPBUNURYWIF-OQLLNIDSSA-N 0 0 414.335 5.101 50 10 HKCARN CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccc(F)cc2)cc1 ZINC000013777373 558592702 /nfs/dbraw/zinc/59/27/02/558592702.db2.gz AEPPKFNTBVOYFC-BFLUCZKCSA-N 0 0 424.560 5.180 50 10 HKCARN CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccc(F)cc2)cc1 ZINC000013777377 558592620 /nfs/dbraw/zinc/59/26/20/558592620.db2.gz AEPPKFNTBVOYFC-DGWZTRNLSA-N 0 0 424.560 5.180 50 10 HKCARN CCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c(OCC)c1 ZINC000013785096 558593135 /nfs/dbraw/zinc/59/31/35/558593135.db2.gz RCTMBKJJYVESQE-WQRHYEAKSA-N 0 0 403.500 5.029 50 10 HKCARN CCOc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c(OCC)c1 ZINC000013785213 558593179 /nfs/dbraw/zinc/59/31/79/558593179.db2.gz BRCJVWKXCBHUPB-CTFRJJSNSA-N 0 0 413.564 5.446 50 10 HKCARN Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)cc3C)C2=O)cc1 ZINC000013785589 558593187 /nfs/dbraw/zinc/59/31/87/558593187.db2.gz NJNWBYGRQCXUMN-ZHZULCJRSA-N 0 0 424.591 5.232 50 10 HKCARN Cc1ccc(Sc2ccc(/C=C3\C(=O)N=C4SC(C(C)C)=NN4C3=N)o2)cc1 ZINC000013785737 558593172 /nfs/dbraw/zinc/59/31/72/558593172.db2.gz IJIHKKJCGWGGKT-SRRKIXIOSA-N 0 0 410.524 5.014 50 10 HKCARN Cn1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21 ZINC000013787028 558593541 /nfs/dbraw/zinc/59/35/41/558593541.db2.gz NHIQOVAXLPQVHT-MFOYZWKCSA-N 0 0 418.465 5.603 50 10 HKCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1 ZINC000013799171 558594346 /nfs/dbraw/zinc/59/43/46/558594346.db2.gz JREFVTUOPYUWED-UYRXBGFRSA-N 0 0 424.591 5.150 50 10 HKCARN Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 ZINC000013799762 558594589 /nfs/dbraw/zinc/59/45/89/558594589.db2.gz JPKSXEIDUBFMME-ZHZULCJRSA-N 0 0 424.591 5.232 50 10 HKCARN O=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)SC(=S)N1Cc1ccccc1 ZINC000013801010 558594503 /nfs/dbraw/zinc/59/45/03/558594503.db2.gz ZMDZCPNOJLUINF-XDHOZWIPSA-N 0 0 411.935 6.001 50 10 HKCARN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(F)cc1 ZINC000013801576 558594732 /nfs/dbraw/zinc/59/47/32/558594732.db2.gz UMGIUYWHPCECDW-HMAPJEAMSA-N 0 0 416.452 5.219 50 10 HKCARN Cc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)o2)cc1Cl ZINC000013802089 558883767 /nfs/dbraw/zinc/88/37/67/558883767.db2.gz DZVZZSQTMUJWEX-UJADIJFVSA-N 0 0 412.902 5.184 50 10 HKCARN COc1ccccc1C=C1SC(Nc2ccc(Cl)cc2C(F)(F)F)=NC1=O ZINC000013804101 558594915 /nfs/dbraw/zinc/59/49/15/558594915.db2.gz ZSQXLHDFMIDYJU-NVNXTCNLSA-N 0 0 412.820 5.450 50 10 HKCARN Cn1cc(C=C2SC(Nc3ccccc3C(F)(F)F)=NC2=O)c2ccccc21 ZINC000013804248 558595038 /nfs/dbraw/zinc/59/50/38/558595038.db2.gz IZYULPXOEHKUGZ-YVLHZVERSA-N 0 0 401.413 5.280 50 10 HKCARN Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C)c3C)C2=O)cc1 ZINC000013809716 558595193 /nfs/dbraw/zinc/59/51/93/558595193.db2.gz CCLVWVRDQNHXTA-ZHZULCJRSA-N 0 0 424.591 5.232 50 10 HKCARN CCN1C(=O)/C(=C\c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S ZINC000013809787 558884352 /nfs/dbraw/zinc/88/43/52/558884352.db2.gz SWWFRDMIQMINGI-LDADJPATSA-N 0 0 423.515 5.182 50 10 HKCARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000013809961 558595265 /nfs/dbraw/zinc/59/52/65/558595265.db2.gz YVSWRWUXVHHQPL-UNOMPAQXSA-N 0 0 407.813 5.314 50 10 HKCARN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCCC(C)C ZINC000013810070 558595198 /nfs/dbraw/zinc/59/51/98/558595198.db2.gz GQKKWDKBLZWTCX-ZHZULCJRSA-N 0 0 419.612 5.654 50 10 HKCARN COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)o2)cc1 ZINC000013810541 558884416 /nfs/dbraw/zinc/88/44/16/558884416.db2.gz ORBFWEYTWQLDIO-UYRXBGFRSA-N 0 0 421.499 5.139 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000013880075 558599404 /nfs/dbraw/zinc/59/94/04/558599404.db2.gz LDOSGKZCHLLBDZ-HAHDFKILSA-N 0 0 402.881 5.725 50 10 HKCARN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(Cc2ccccc2Cl)C1=O ZINC000013880815 558599465 /nfs/dbraw/zinc/59/94/65/558599465.db2.gz UWYBUEVXJVDWBG-MOSHPQCFSA-N 0 0 412.942 5.485 50 10 HKCARN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000013880817 558599410 /nfs/dbraw/zinc/59/94/10/558599410.db2.gz VZTFCSSENSQTJK-MOSHPQCFSA-N 0 0 412.942 5.485 50 10 HKCARN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1C ZINC000013880851 558599422 /nfs/dbraw/zinc/59/94/22/558599422.db2.gz WIZNZDCVUOEUKH-JCMHNJIXSA-N 0 0 418.587 6.062 50 10 HKCARN Cc1ccccc1NCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S ZINC000013881961 558599921 /nfs/dbraw/zinc/59/99/21/558599921.db2.gz JGOOOJIWSKQWMA-MHWRWJLKSA-N 0 0 419.369 5.028 50 10 HKCARN O=C1/C(=C/c2ccc3ccccc3c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000013894952 558600301 /nfs/dbraw/zinc/60/03/01/558600301.db2.gz YEVYKMSXKANBIA-WQRHYEAKSA-N 0 0 415.461 6.264 50 10 HKCARN O=C(Oc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)c1ccccc1 ZINC000013895032 558600323 /nfs/dbraw/zinc/60/03/23/558600323.db2.gz PXCROHCONFLISP-HKWRFOASSA-N 0 0 417.511 5.312 50 10 HKCARN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1C ZINC000013895746 558600326 /nfs/dbraw/zinc/60/03/26/558600326.db2.gz CHCPUPHEROWFJK-HAHDFKILSA-N 0 0 412.489 5.389 50 10 HKCARN Cc1ccccc1COc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000013896109 558600607 /nfs/dbraw/zinc/60/06/07/558600607.db2.gz VVYWQYNWOWNVAW-JCMHNJIXSA-N 0 0 417.555 5.980 50 10 HKCARN Cc1cccc(COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)c1 ZINC000013896618 558600594 /nfs/dbraw/zinc/60/05/94/558600594.db2.gz BNZQEYRWGMRXKZ-JCMHNJIXSA-N 0 0 417.555 5.980 50 10 HKCARN O=C1/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)SC(=S)N1c1ccccc1 ZINC000013897459 558600676 /nfs/dbraw/zinc/60/06/76/558600676.db2.gz MFFVSODWZUJWCP-WOJGMQOQSA-N 0 0 415.898 6.145 50 10 HKCARN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCc1cccc(C)c1 ZINC000013897740 558600726 /nfs/dbraw/zinc/60/07/26/558600726.db2.gz IVCYNEUKAQKXMW-DEDYPNTBSA-N 0 0 413.564 5.194 50 10 HKCARN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=N)S1 ZINC000013897951 558600700 /nfs/dbraw/zinc/60/07/00/558600700.db2.gz ICVYCSIMZMETLU-HUHIGAQKSA-N 0 0 412.902 5.265 50 10 HKCARN CCN1C(=O)/C(=C\c2ccc(OCc3c(Cl)cccc3Cl)cc2)SC1=S ZINC000013897962 558600738 /nfs/dbraw/zinc/60/07/38/558600738.db2.gz OXCOTGCSTPIAKY-LICLKQGHSA-N 0 0 424.374 5.794 50 10 HKCARN Cc1cccc(COc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)c1 ZINC000013898013 558600745 /nfs/dbraw/zinc/60/07/45/558600745.db2.gz CJGDFVIUCCYYHA-JCMHNJIXSA-N 0 0 417.555 5.980 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCCCOc2ccccc2)cc1 ZINC000013898745 558600936 /nfs/dbraw/zinc/60/09/36/558600936.db2.gz NMJPYUHDSJRLOM-NCELDCMTSA-N 0 0 412.489 5.341 50 10 HKCARN CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2ccccc2)SC1=S ZINC000013898773 558600979 /nfs/dbraw/zinc/60/09/79/558600979.db2.gz IVBYGCSKSYQLAD-AQTBWJFISA-N 0 0 419.955 5.019 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1 ZINC000013899286 558601036 /nfs/dbraw/zinc/60/10/36/558601036.db2.gz ASLXMDFMCUGYIZ-JCMHNJIXSA-N 0 0 402.881 5.725 50 10 HKCARN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1 ZINC000013913930 569258139 /nfs/dbraw/zinc/25/81/39/569258139.db2.gz PNDHOBDBALMAMP-KQWNVCNZSA-N 0 0 412.489 5.470 50 10 HKCARN CCOc1cc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc(Cl)c1O ZINC000013913971 558664181 /nfs/dbraw/zinc/66/41/81/558664181.db2.gz MKXUBQJWZFRVPX-CHHVJCJISA-N 0 0 424.806 5.269 50 10 HKCARN COc1cccc(/C=C2/C(=O)N(c3cccc(C)c3)N=C2C)c1OCc1ccccc1 ZINC000013914219 569258176 /nfs/dbraw/zinc/25/81/76/569258176.db2.gz VCSSXVOPQXCETK-XQNSMLJCSA-N 0 0 412.489 5.389 50 10 HKCARN CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000013914660 569258152 /nfs/dbraw/zinc/25/81/52/569258152.db2.gz ZUPIMXQEABUXKY-ZSOIEALJSA-N 0 0 410.098 5.562 50 10 HKCARN COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc(Cl)c1O ZINC000013914948 558938327 /nfs/dbraw/zinc/93/83/27/558938327.db2.gz QJLIVPIOOBMECF-XGICHPGQSA-N 0 0 411.672 5.167 50 10 HKCARN CC1=NN(c2cccc(C)c2)C(=O)/C1=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000013914955 569258161 /nfs/dbraw/zinc/25/81/61/569258161.db2.gz XCHQAJQSFJYMFZ-MOSHPQCFSA-N 0 0 404.554 6.102 50 10 HKCARN CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc(Cl)c1OC ZINC000013914970 569258141 /nfs/dbraw/zinc/25/81/41/569258141.db2.gz GPAUANCOFKYOBM-SXGWCWSVSA-N 0 0 405.281 5.207 50 10 HKCARN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccccc1Cl ZINC000013940017 558604079 /nfs/dbraw/zinc/60/40/79/558604079.db2.gz DBTNUNYVQSVOBU-WOJGMQOQSA-N 0 0 419.955 5.149 50 10 HKCARN CCOc1cc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)ccc1OCc1ccccc1 ZINC000013940157 569423254 /nfs/dbraw/zinc/42/32/54/569423254.db2.gz WRSVLNHFMYAGKR-KGENOOAVSA-N 0 0 416.448 5.785 50 10 HKCARN CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000013940274 558604204 /nfs/dbraw/zinc/60/42/04/558604204.db2.gz MJXOHVARUYJWBD-LICLKQGHSA-N 0 0 419.955 5.115 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCCCOc1ccccc1 ZINC000013940364 569258263 /nfs/dbraw/zinc/25/82/63/569258263.db2.gz WBXUARMDOOMSDY-CLCOLTQESA-N 0 0 412.489 5.341 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)cc1 ZINC000013940518 558604189 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Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)o1 ZINC000013942257 558604795 /nfs/dbraw/zinc/60/47/95/558604795.db2.gz MJPGDUHXFGJELE-XDHOZWIPSA-N 0 0 422.487 5.569 50 10 HKCARN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C2=N)S1 ZINC000013942561 558605036 /nfs/dbraw/zinc/60/50/36/558605036.db2.gz YCJUTXVRWALBRT-ILUQACKLSA-N 0 0 416.915 5.113 50 10 HKCARN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCc1ccccc1C ZINC000013942562 558605064 /nfs/dbraw/zinc/60/50/64/558605064.db2.gz YOBPZKYVVUEBMD-DEDYPNTBSA-N 0 0 413.564 5.194 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C(\C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 ZINC000013942737 558605057 /nfs/dbraw/zinc/60/50/57/558605057.db2.gz HRFUIPSMDKAWJO-TXLZIYAKSA-N 0 0 423.472 5.793 50 10 HKCARN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1O ZINC000013943401 558605429 /nfs/dbraw/zinc/60/54/29/558605429.db2.gz YTARBRUXNJBGPC-AUWJEWJLSA-N 0 0 412.319 5.113 50 10 HKCARN Cc1cccc(COc2ccccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)c1 ZINC000013943500 558605379 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HKCARN COc1cc(Cl)cc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1O ZINC000015016856 558702537 /nfs/dbraw/zinc/70/25/37/558702537.db2.gz CTMMFJRACJWHSJ-IERDGZPVSA-N 0 0 412.898 5.358 50 10 HKCARN COc1cc(Cl)cc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1O ZINC000015016857 558702495 /nfs/dbraw/zinc/70/24/95/558702495.db2.gz CTMMFJRACJWHSJ-IIBYNOLFSA-N 0 0 412.898 5.358 50 10 HKCARN Oc1c([C@@H](Nc2ccccn2)c2c(F)cccc2Cl)cc(Cl)c2cccnc12 ZINC000015016963 558702733 /nfs/dbraw/zinc/70/27/33/558702733.db2.gz QPRHRZANSCEYHV-LJQANCHMSA-N 0 0 414.267 5.983 50 10 HKCARN Oc1c([C@H](Nc2ccccn2)c2c(F)cccc2Cl)cc(Cl)c2cccnc12 ZINC000015016964 558702696 /nfs/dbraw/zinc/70/26/96/558702696.db2.gz QPRHRZANSCEYHV-IBGZPJMESA-N 0 0 414.267 5.983 50 10 HKCARN CN(Cc1ccccc1)c1cc(Br)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000015023316 568745633 /nfs/dbraw/zinc/74/56/33/568745633.db2.gz UUOPODMAPVAGGW-UHFFFAOYSA-N 0 0 419.278 5.438 50 10 HKCARN Cc1ccc(NCN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1C ZINC000015133524 568775093 /nfs/dbraw/zinc/77/50/93/568775093.db2.gz UJSLZOXWIPDPEP-CAOOACKPSA-N 0 0 423.390 5.881 50 10 HKCARN CCc1ccc(NCN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1 ZINC000015133526 568775139 /nfs/dbraw/zinc/77/51/39/568775139.db2.gz SXNPGRVQWLCHNC-RQZCQDPDSA-N 0 0 423.390 5.827 50 10 HKCARN Cc1ccc(NCN2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1C ZINC000015133746 568775025 /nfs/dbraw/zinc/77/50/25/568775025.db2.gz LDBIRIBRGMXCLT-CXUHLZMHSA-N 0 0 423.390 5.881 50 10 HKCARN O=C(c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21)N1CCCC1 ZINC000015218045 558728262 /nfs/dbraw/zinc/72/82/62/558728262.db2.gz UNOROEPJHJHSTA-DBXWQHBBSA-N 0 0 423.354 5.512 50 10 HKCARN O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21 ZINC000015218405 558728216 /nfs/dbraw/zinc/72/82/16/558728216.db2.gz HWTRKWRLQBDHNK-TXTKFYIRSA-N 0 0 403.884 6.537 50 10 HKCARN O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21 ZINC000015218597 558728234 /nfs/dbraw/zinc/72/82/34/558728234.db2.gz PLBLHQIQVLEBNH-PNCHPQGNSA-N 0 0 403.884 6.537 50 10 HKCARN CCCOc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000015222338 558728453 /nfs/dbraw/zinc/72/84/53/558728453.db2.gz MSDRMLSBDSTYFI-WQRHYEAKSA-N 0 0 419.955 5.543 50 10 HKCARN Cc1ccccc1/N=N/c1ccc(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c(C)c1 ZINC000015229504 558728979 /nfs/dbraw/zinc/72/89/79/558728979.db2.gz ACOYDVICKLLXEB-SWJOHRQSSA-N 0 0 416.352 7.249 50 10 HKCARN Cc1ccccc1/N=N/c1ccc(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c(C)c1 ZINC000015229506 558728911 /nfs/dbraw/zinc/72/89/11/558728911.db2.gz ACOYDVICKLLXEB-MYRCLWJWSA-N 0 0 416.352 7.249 50 10 HKCARN Cc1ccccc1/N=N/c1ccc(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)c(C)c1 ZINC000015229507 558728925 /nfs/dbraw/zinc/72/89/25/558728925.db2.gz ACOYDVICKLLXEB-WPJXZCFSSA-N 0 0 416.352 7.249 50 10 HKCARN Cc1ccccc1/N=N/c1ccc(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)c(C)c1 ZINC000015229509 558729210 /nfs/dbraw/zinc/72/92/10/558729210.db2.gz ACOYDVICKLLXEB-PJOFKPAXSA-N 0 0 416.352 7.249 50 10 HKCARN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000015229697 568820986 /nfs/dbraw/zinc/82/09/86/568820986.db2.gz YDOZIUJGKMOZJX-QRVIBDJDSA-N 0 0 420.553 5.040 50 10 HKCARN COc1cc(C2SCCS2)cc(CN(C)Cc2c(F)cccc2Cl)c1O ZINC000015497250 558741591 /nfs/dbraw/zinc/74/15/91/558741591.db2.gz ZMHFEWGKEMJUDV-UHFFFAOYSA-N 0 0 413.967 5.304 50 10 HKCARN COc1ccc(-n2c(C)cc(-c3csc(NC(=O)c4c(C)noc4C)n3)c2C)cc1 ZINC000015651495 568958269 /nfs/dbraw/zinc/95/82/69/568958269.db2.gz ILPHOGLNXIIERD-UHFFFAOYSA-N 0 0 422.510 5.083 50 10 HKCARN O=C1/C(=C/C(Br)=C/c2ccccc2)SC(=S)N1Cc1ccccc1 ZINC000015659613 558747874 /nfs/dbraw/zinc/74/78/74/558747874.db2.gz ODIYOSSGBUIWNU-LSQIQBGYSA-N 0 0 416.365 5.367 50 10 HKCARN O=C(c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21)N1CCCC1 ZINC000015723946 558750066 /nfs/dbraw/zinc/75/00/66/558750066.db2.gz YHWYGILACMCKTA-ZOCZFRKYSA-N 0 0 413.348 6.056 50 10 HKCARN Cc1cc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccc(Cl)cc1 ZINC000015728508 568979472 /nfs/dbraw/zinc/97/94/72/568979472.db2.gz XVUGDHFSCZKGTD-UHFFFAOYSA-N 0 0 411.977 5.516 50 10 HKCARN Cc1cc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1cccc(Cl)c1 ZINC000015728512 568979054 /nfs/dbraw/zinc/97/90/54/568979054.db2.gz UXUQRYDDTNFQKB-UHFFFAOYSA-N 0 0 411.977 5.516 50 10 HKCARN COc1ccc(-c2cnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2C)cc1 ZINC000015729626 568980321 /nfs/dbraw/zinc/98/03/21/568980321.db2.gz IQTIUDNZAJTEMJ-UHFFFAOYSA-N 0 0 422.337 5.133 50 10 HKCARN O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc2ccccc2c1 ZINC000015746434 558751361 /nfs/dbraw/zinc/75/13/61/558751361.db2.gz RQWGEUKYRLAQPC-QGOAFFKASA-N 0 0 424.572 5.131 50 10 HKCARN CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc3ccccc32)cc1 ZINC000015767775 558752116 /nfs/dbraw/zinc/75/21/16/558752116.db2.gz VKVSRTDSURLONI-KNTRCKAVSA-N 0 0 417.512 5.775 50 10 HKCARN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(-c2cccc(Br)c2)o1 ZINC000015799435 558753820 /nfs/dbraw/zinc/75/38/20/558753820.db2.gz QJLCSPWQQSXPBI-SFQUDFHCSA-N 0 0 417.328 5.165 50 10 HKCARN CCOc1ccc(Cl)cc1C=C1SC(Nc2cccc3ccccc32)=NC1=O ZINC000015799592 558753791 /nfs/dbraw/zinc/75/37/91/558753791.db2.gz UNEFSLYRTJJZFY-MOSHPQCFSA-N 0 0 408.910 5.974 50 10 HKCARN CC[C@@H](C)c1ccc(OCCOc2ccc(C=C3SC(=S)NC3=O)cc2)cc1 ZINC000015800206 558754062 /nfs/dbraw/zinc/75/40/62/558754062.db2.gz UAGWMVZZCFOGHA-KWPCUBQOSA-N 0 0 413.564 5.147 50 10 HKCARN CC[C@H](C)c1ccc(OCCOc2ccc(C=C3SC(=S)NC3=O)cc2)cc1 ZINC000015800208 558754071 /nfs/dbraw/zinc/75/40/71/558754071.db2.gz UAGWMVZZCFOGHA-CPOQMQJTSA-N 0 0 413.564 5.147 50 10 HKCARN Cc1cccc(C)c1OCCn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21 ZINC000015800340 558753926 /nfs/dbraw/zinc/75/39/26/558753926.db2.gz NMIWQBLGZPOHOG-MOSHPQCFSA-N 0 0 422.575 5.168 50 10 HKCARN CCN1C(=O)/C(=C/c2ccc(OCCOc3ccccc3Cl)cc2)SC1=S ZINC000015800488 558753991 /nfs/dbraw/zinc/75/39/91/558753991.db2.gz INUBHOMRVFUSDF-AQTBWJFISA-N 0 0 419.955 5.019 50 10 HKCARN Cc1c(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)oc2cc(C)cc(C)c12 ZINC000015831061 569012291 /nfs/dbraw/zinc/01/22/91/569012291.db2.gz JLEYQXADNJWQOM-UHFFFAOYSA-N 0 0 416.521 5.860 50 10 HKCARN CCN(CC)c1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(OC)c1 ZINC000015836285 558755922 /nfs/dbraw/zinc/75/59/22/558755922.db2.gz FHRSKZKTAZCHRL-ODLFYWEKSA-N 0 0 416.930 5.436 50 10 HKCARN CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000015856203 558757142 /nfs/dbraw/zinc/75/71/42/558757142.db2.gz ZSIWITYVDAUYPS-LICLKQGHSA-N 0 0 419.955 5.115 50 10 HKCARN O=C1NC(=S)S/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000015856305 558757121 /nfs/dbraw/zinc/75/71/21/558757121.db2.gz WAVRUJRRVRIHJU-CAOOACKPSA-N 0 0 419.358 5.485 50 10 HKCARN Cc1ccccc1COc1cccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1 ZINC000015856594 558757171 /nfs/dbraw/zinc/75/71/71/558757171.db2.gz KXRMIZWNBLRLNX-PXLXIMEGSA-N 0 0 417.555 5.980 50 10 HKCARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(C)c2O)N3)C1 ZINC000015945402 558763447 /nfs/dbraw/zinc/76/34/47/558763447.db2.gz HTRALBVLQRXMGO-QGHHPUGFSA-N 0 0 421.360 5.468 50 10 HKCARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(C)c2O)N3)C1 ZINC000015945404 558763506 /nfs/dbraw/zinc/76/35/06/558763506.db2.gz HTRALBVLQRXMGO-BTDLBPIBSA-N 0 0 421.360 5.468 50 10 HKCARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(C)c2O)N3)C1 ZINC000015945406 558763482 /nfs/dbraw/zinc/76/34/82/558763482.db2.gz HTRALBVLQRXMGO-BMLIUANNSA-N 0 0 421.360 5.468 50 10 HKCARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(C)c2O)N3)C1 ZINC000015945408 558763394 /nfs/dbraw/zinc/76/33/94/558763394.db2.gz HTRALBVLQRXMGO-DYZYQPBXSA-N 0 0 421.360 5.468 50 10 HKCARN O=C1Nc2ccccc2/C1=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000016050863 568877179 /nfs/dbraw/zinc/87/71/79/568877179.db2.gz PSTZLKOGDIHRHI-RGVLZGJSSA-N 0 0 419.311 6.489 50 10 HKCARN O=C1/C(=C/c2c[nH]c3ccc(Br)cc23)c2ccccc2N1c1ccccc1 ZINC000016050865 558770955 /nfs/dbraw/zinc/77/09/55/558770955.db2.gz ZILQUDKMKVGRFF-UDWIEESQSA-N 0 0 415.290 6.149 50 10 HKCARN O=C1Nc2ccccc2/C1=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000016050866 569028368 /nfs/dbraw/zinc/02/83/68/569028368.db2.gz LWZFGHIRDOZUNN-XDHOZWIPSA-N 0 0 419.311 6.489 50 10 HKCARN Cc1cc(O)c(C(C)C)cc1NC1=NC(=O)C(=CC=Cc2ccccc2[N+](=O)[O-])S1 ZINC000016051097 560858227 /nfs/dbraw/zinc/85/82/27/560858227.db2.gz UECLOUKIOONEOS-RQIKSRJSSA-N 0 0 423.494 5.371 50 10 HKCARN CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\c1cccc(Br)c1 ZINC000016102023 558771865 /nfs/dbraw/zinc/77/18/65/558771865.db2.gz QEKATLWSRRGBCO-ZSOIEALJSA-N 0 0 410.098 5.562 50 10 HKCARN CC(=O)N(/C=C/C=C/C=C1/SC(=S)N(Cc2ccccc2)C1=O)c1ccccc1 ZINC000016102092 558771993 /nfs/dbraw/zinc/77/19/93/558771993.db2.gz FPCSFEIRRCDMQE-BQYMSJPFSA-N 0 0 420.559 5.054 50 10 HKCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2)N1CCCCCC1 ZINC000016156643 559075996 /nfs/dbraw/zinc/07/59/96/559075996.db2.gz CSWZENPLBSWICD-LGVFNWMJSA-N 0 0 406.957 6.183 50 10 HKCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2)N1CCCCCC1 ZINC000016156644 558774029 /nfs/dbraw/zinc/77/40/29/558774029.db2.gz CSWZENPLBSWICD-PQNGQFLHSA-N 0 0 406.957 6.183 50 10 HKCARN CN1c2cc(Cl)ccc2S/C1=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000016157399 558774104 /nfs/dbraw/zinc/77/41/04/558774104.db2.gz SPOGOSMNNVLAQE-BMRADRMJSA-N 0 0 404.969 5.112 50 10 HKCARN Fc1ccccc1[C@@H]1[C@@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@H]1CC=C[C@@H]31 ZINC000016157561 569361597 /nfs/dbraw/zinc/36/15/97/569361597.db2.gz FIVHFHLIFPNXEH-AFWPOZQOSA-N 0 0 422.341 6.483 50 10 HKCARN CSc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000016192761 558777372 /nfs/dbraw/zinc/77/73/72/558777372.db2.gz BOJUSYDLKTYPID-NVNXTCNLSA-N 0 0 412.388 6.121 50 10 HKCARN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OC(C)C ZINC000016192835 558777440 /nfs/dbraw/zinc/77/74/40/558777440.db2.gz FHVSSXOTQOAPSX-WQRHYEAKSA-N 0 0 403.500 5.027 50 10 HKCARN COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000016192905 558777427 /nfs/dbraw/zinc/77/74/27/558777427.db2.gz KOIZLYHNXMLYON-DHDCSXOGSA-N 0 0 424.316 5.003 50 10 HKCARN CCOc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c(OCC)c1 ZINC000016192936 558777385 /nfs/dbraw/zinc/77/73/85/558777385.db2.gz SXZTVKHFHKUFJV-ZDLGFXPLSA-N 0 0 419.955 5.543 50 10 HKCARN CC(=O)Oc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000016193041 560859399 /nfs/dbraw/zinc/85/93/99/560859399.db2.gz AYIXWIPHRUBZGR-PXNMLYILSA-N 0 0 424.330 5.325 50 10 HKCARN CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c(OCC)c1 ZINC000016193353 558777414 /nfs/dbraw/zinc/77/74/14/558777414.db2.gz ORVLGKWFCNREAT-WQRHYEAKSA-N 0 0 403.500 5.029 50 10 HKCARN COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccccc2F)C1=O ZINC000016193420 558777563 /nfs/dbraw/zinc/77/75/63/558777563.db2.gz HREAKOCFWYQGFI-DHDCSXOGSA-N 0 0 424.316 5.003 50 10 HKCARN COc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000016227881 558780154 /nfs/dbraw/zinc/78/01/54/558780154.db2.gz HJXUGBLHAHQTRA-UNOMPAQXSA-N 0 0 422.487 5.162 50 10 HKCARN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2C)o1 ZINC000016250036 569030324 /nfs/dbraw/zinc/03/03/24/569030324.db2.gz PJBSXDWCBZLVSE-XDHOZWIPSA-N 0 0 411.288 6.368 50 10 HKCARN CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccccc2OC)C1=O ZINC000016267545 558782470 /nfs/dbraw/zinc/78/24/70/558782470.db2.gz KQEDQWQDXJWYNX-BOPFTXTBSA-N 0 0 405.928 5.153 50 10 HKCARN CSc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000016267606 558782528 /nfs/dbraw/zinc/78/25/28/558782528.db2.gz LUYKSNXKZHLLKN-GDNBJRDFSA-N 0 0 422.394 5.577 50 10 HKCARN Cc1ccccc1COc1ccccc1/C=C1\SC(=S)N(Cc2ccco2)C1=O ZINC000016267617 558782463 /nfs/dbraw/zinc/78/24/63/558782463.db2.gz CPLSHJHKHSVBTQ-BKUYFWCQSA-N 0 0 421.543 5.568 50 10 HKCARN CCOc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c(OCC)c1 ZINC000016267664 558782479 /nfs/dbraw/zinc/78/24/79/558782479.db2.gz BTKHOKZGHQMYEG-ZDLGFXPLSA-N 0 0 403.500 5.029 50 10 HKCARN CC(=O)Oc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000016267752 558782524 /nfs/dbraw/zinc/78/25/24/558782524.db2.gz MEGFKNNNGYOOGK-SXGWCWSVSA-N 0 0 423.437 5.037 50 10 HKCARN Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)o2)ccc1[N+](=O)[O-] ZINC000016283208 569030432 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5.946 50 10 HKCARN COc1cc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)cc(Br)c1OC ZINC000016448292 558791654 /nfs/dbraw/zinc/79/16/54/558791654.db2.gz OTACQGMJJDPBBO-JCGVRSQUSA-N 0 0 420.734 5.946 50 10 HKCARN O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1C1CCCCC1 ZINC000016450604 569051739 /nfs/dbraw/zinc/05/17/39/569051739.db2.gz OPHUQGMVTYSEOP-PDGQHHTCSA-N 0 0 414.508 5.389 50 10 HKCARN O=C1/C(=C/C(Br)=C/c2ccccc2)SC(=S)N1C1CCCCC1 ZINC000016450780 558792539 /nfs/dbraw/zinc/79/25/39/558792539.db2.gz GLEWVMIFFMPJOX-RVFWBLQRSA-N 0 0 408.386 5.499 50 10 HKCARN O=C1c2ccccc2C(=O)C1(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000016477888 569053821 /nfs/dbraw/zinc/05/38/21/569053821.db2.gz FPDMUMGUTJRZSB-UHFFFAOYSA-N 0 0 415.798 5.745 50 10 HKCARN O=C1/C(=C\C=C\c2ccc([N+](=O)[O-])o2)SC(=S)N1c1cccc2ccccc21 ZINC000016544879 558795569 /nfs/dbraw/zinc/79/55/69/558795569.db2.gz FGBNBRHEEHLBIU-CUQLSPFUSA-N 0 0 408.460 5.303 50 10 HKCARN 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/nfs/dbraw/zinc/93/73/72/568937372.db2.gz XZYJEPPQASBVCC-UHFFFAOYSA-N 0 0 424.444 5.530 50 10 HKCARN C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(Cc2ccccc2Cl)C1=O ZINC000016733485 558802431 /nfs/dbraw/zinc/80/24/31/558802431.db2.gz KIFVNBFHUALSJZ-JFENUBAZSA-N 0 0 413.951 5.449 50 10 HKCARN C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(Cc2ccccc2Cl)C1=O ZINC000016733487 558802437 /nfs/dbraw/zinc/80/24/37/558802437.db2.gz KIFVNBFHUALSJZ-LPXFMOJISA-N 0 0 413.951 5.449 50 10 HKCARN Cc1cc(C)c(NC(=O)CN2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)c(C)c1 ZINC000016738299 558803037 /nfs/dbraw/zinc/80/30/37/558803037.db2.gz VMFOIRPYRKNHDD-JAXWBCMNSA-N 0 0 422.575 5.008 50 10 HKCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O ZINC000016740093 558803189 /nfs/dbraw/zinc/80/31/89/558803189.db2.gz MTLCPBWFZQXXBU-KFURHSOJSA-N 0 0 422.575 5.090 50 10 HKCARN CC(C)N1C(=O)/C(=C/c2oc3ccc(Br)cc3c2Cl)SC1=S ZINC000016750549 558804573 /nfs/dbraw/zinc/80/45/73/558804573.db2.gz MXJSLTPUMIYPBB-SDQBBNPISA-N 0 0 416.749 5.458 50 10 HKCARN CCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(C)cc3)cc2)SC1=S ZINC000016790600 558807267 /nfs/dbraw/zinc/80/72/67/558807267.db2.gz OANWZDJCSXPKLO-XMHGGMMESA-N 0 0 411.548 5.216 50 10 HKCARN CCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3cccc(C)c3)cc2)SC1=S ZINC000016790603 558807260 /nfs/dbraw/zinc/80/72/60/558807260.db2.gz QVTJNHWQRUBZKH-XMHGGMMESA-N 0 0 411.548 5.216 50 10 HKCARN O=C(Oc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1)c1ccco1 ZINC000016790829 558807286 /nfs/dbraw/zinc/80/72/86/558807286.db2.gz PXWILYHBVZKYNY-AQTBWJFISA-N 0 0 413.520 5.033 50 10 HKCARN O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1C1CCCCC1 ZINC000016790862 569263159 /nfs/dbraw/zinc/26/31/59/569263159.db2.gz ICSJZAWNONFROG-PDGQHHTCSA-N 0 0 403.956 6.134 50 10 HKCARN CC(C)CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S ZINC000016790967 558807227 /nfs/dbraw/zinc/80/72/27/558807227.db2.gz SOZCQTNPJIJGBR-LZYBPNLTSA-N 0 0 412.363 6.111 50 10 HKCARN O=C1N=C(N2CCCCCC2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000016791086 558807343 /nfs/dbraw/zinc/80/73/43/558807343.db2.gz OHCKUHXEPDBSAH-LDADJPATSA-N 0 0 421.349 6.100 50 10 HKCARN Cn1cc(/C=C/c2nc3ccccc3c(=O)n2CCc2ccccc2)c2ccccc21 ZINC000016850787 569265920 /nfs/dbraw/zinc/26/59/20/569265920.db2.gz FQFIFDBDVYHTNI-FOCLMDBBSA-N 0 0 405.501 5.301 50 10 HKCARN Cc1[nH]c2ccccc2c1/C=C/c1nc2ccccc2c(=O)n1CCc1ccccc1 ZINC000016850789 569265891 /nfs/dbraw/zinc/26/58/91/569265891.db2.gz XJYOHVVRGYEXBA-FOCLMDBBSA-N 0 0 405.501 5.599 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C(\C=C\c1ccc2c(c1)OCO2)c1ccc(C)cc1 ZINC000016948833 558809724 /nfs/dbraw/zinc/80/97/24/558809724.db2.gz YRHOSSYRHUPJNW-QFBRGKPISA-N 0 0 422.484 5.613 50 10 HKCARN CCO/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(C)cc1 ZINC000016949261 559087240 /nfs/dbraw/zinc/08/72/40/559087240.db2.gz DGFQRUIRRJKNDJ-HKWRFOASSA-N 0 0 423.563 5.410 50 10 HKCARN Cc1ccc(/N=N\c2ccc(C)cc2NC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000017023858 569012773 /nfs/dbraw/zinc/01/27/73/569012773.db2.gz XAUOKVREUHBSKG-QPLCGJKRSA-N 0 0 407.405 6.410 50 10 HKCARN CN(C)c1ccc(/C=C\c2ccnc3ccc(I)cc23)cc1 ZINC000017062547 569272736 /nfs/dbraw/zinc/27/27/36/569272736.db2.gz VFTFYLUPIANILS-UTCJRWHESA-N 0 0 400.263 5.076 50 10 HKCARN Cc1cnc2ccc(I)cc2c1/C=C\c1ccc(N(C)C)cc1 ZINC000017062627 569272708 /nfs/dbraw/zinc/27/27/08/569272708.db2.gz HQGZMWIZDZHHQO-POHAHGRESA-N 0 0 414.290 5.384 50 10 HKCARN CN(C)c1ccc(/C=C\c2cc(/C=C\c3ccc(N(C)C)cc3)c3ccccc3n2)cc1 ZINC000017062657 569272813 /nfs/dbraw/zinc/27/28/13/569272813.db2.gz JYZURQWLRUTRQE-VULZFCBJSA-N 0 0 419.572 6.708 50 10 HKCARN CN(C)c1ccc(/C=C/c2cc(/C=C\c3ccc(N(C)C)cc3)nc3ccccc23)cc1 ZINC000017062659 569272799 /nfs/dbraw/zinc/27/27/99/569272799.db2.gz JYZURQWLRUTRQE-TYVLLQCESA-N 0 0 419.572 6.708 50 10 HKCARN Cc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(C)c1/N=N/c1cccc([N+](=O)[O-])c1 ZINC000017070451 569005152 /nfs/dbraw/zinc/00/51/52/569005152.db2.gz LGBYQVBXMUVTPM-QURGRASLSA-N 0 0 424.675 6.773 50 10 HKCARN COC(=O)c1cc(-n2nc(C)c(/N=N/c3cccc([N+](=O)[O-])c3)c2C)ccc1Cl ZINC000017070452 558776774 /nfs/dbraw/zinc/77/67/74/558776774.db2.gz VNYABXMOQRKRGD-QURGRASLSA-N 0 0 413.821 5.253 50 10 HKCARN Cc1nn(-c2ccc(Br)cc2)c(C)c1/N=N/c1ccc(Cl)c(Cl)c1 ZINC000017070456 560868379 /nfs/dbraw/zinc/86/83/79/560868379.db2.gz ZNZAJZDWMKIKJW-QURGRASLSA-N 0 0 424.129 6.974 50 10 HKCARN Nc1ccc(S[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 ZINC000017082441 558814594 /nfs/dbraw/zinc/81/45/94/558814594.db2.gz GAFJJSYOYXYHJG-VQERKYHCSA-N 0 0 402.479 5.108 50 10 HKCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1sc2ccccc2c1Cl ZINC000017091246 558819829 /nfs/dbraw/zinc/81/98/29/558819829.db2.gz MIJWZBBMVDDRIH-UHFFFAOYSA-N 0 0 417.873 5.582 50 10 HKCARN CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OC ZINC000017123273 558823261 /nfs/dbraw/zinc/82/32/61/558823261.db2.gz SPBWZEIULKGNCK-DHDCSXOGSA-N 0 0 405.281 5.207 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cccc(Br)c2)o1 ZINC000017123324 569275233 /nfs/dbraw/zinc/27/52/33/569275233.db2.gz WPCPAFKAGCJQKS-UYRXBGFRSA-N 0 0 407.267 5.515 50 10 HKCARN Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1cccc2ccccc21 ZINC000017144368 569275583 /nfs/dbraw/zinc/27/55/83/569275583.db2.gz AWDQWBMHVSKLEM-UHFFFAOYSA-N 0 0 407.926 5.625 50 10 HKCARN CN(C)c1ccc(/C=C2\SC(=O)N(CCOc3cccc4ccccc43)C2=O)cc1 ZINC000017185977 558825266 /nfs/dbraw/zinc/82/52/66/558825266.db2.gz LFZGMAMKQGGQLT-JWGURIENSA-N 0 0 418.518 5.021 50 10 HKCARN CC1=NN(c2ccccc2)C(=S)C1=CNc1ccc(Br)c2cccnc12 ZINC000017186187 569276298 /nfs/dbraw/zinc/27/62/98/569276298.db2.gz PXASPSQXDLVEIJ-FOWTUZBSSA-N 0 0 423.339 5.517 50 10 HKCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Oc2ccccc2)cc1 ZINC000017190895 560703330 /nfs/dbraw/zinc/70/33/30/560703330.db2.gz BTTFABGFDCQODD-UHFFFAOYSA-N 0 0 419.436 5.507 50 10 HKCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(Oc2ccccc2)c1 ZINC000017190930 560703357 /nfs/dbraw/zinc/70/33/57/560703357.db2.gz XCFBEIQYVFWPDA-UHFFFAOYSA-N 0 0 419.436 5.507 50 10 HKCARN COc1ccc(N2[C@H](c3ccccc3)O[C@@H](c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000017194242 569030462 /nfs/dbraw/zinc/03/04/62/569030462.db2.gz SIDWUTWAPFJZCA-KCHLEUMXSA-N 0 0 407.513 6.713 50 10 HKCARN Cc1ccc(Cl)cc1-c1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)o1 ZINC000017242892 558826239 /nfs/dbraw/zinc/82/62/39/558826239.db2.gz KYXCEFWBIJQCAE-UNOMPAQXSA-N 0 0 411.935 6.314 50 10 HKCARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000017242919 558826272 /nfs/dbraw/zinc/82/62/72/558826272.db2.gz BSEBGNJLEYKXKV-WQRHYEAKSA-N 0 0 416.304 5.569 50 10 HKCARN CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2)cc1 ZINC000017247440 569276697 /nfs/dbraw/zinc/27/66/97/569276697.db2.gz FGLAMWYJYRUOOO-KYPHJKQUSA-N 0 0 406.570 5.041 50 10 biogenic HKCARN CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2)cc1 ZINC000017247443 560704801 /nfs/dbraw/zinc/70/48/01/560704801.db2.gz FGLAMWYJYRUOOO-DGWZTRNLSA-N 0 0 406.570 5.041 50 10 HKCARN CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2)cc1 ZINC000017247448 560704796 /nfs/dbraw/zinc/70/47/96/560704796.db2.gz FGLAMWYJYRUOOO-RMTZWNOUSA-N 0 0 406.570 5.041 50 10 biogenic HKCARN O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4ccccc4cc4c3N2C[C@@H]2CC=C[C@H]42)c1 ZINC000017264438 560706505 /nfs/dbraw/zinc/70/65/05/560706505.db2.gz OSXPNPRPAJYLGH-KTCXRXHYSA-N 0 0 420.512 6.642 50 10 HKCARN CCOC(=O)c1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000017264957 558826224 /nfs/dbraw/zinc/82/62/24/558826224.db2.gz RGOGOLORKZTVFE-QJOMJCCJSA-N 0 0 409.485 5.643 50 10 HKCARN CCOc1ccc(Br)cc1/C=C1\C(=O)N(c2cccc(Cl)c2)N=C1C ZINC000017265030 558826266 /nfs/dbraw/zinc/82/62/66/558826266.db2.gz DFNBIIKFLUIGEF-YVLHZVERSA-N 0 0 419.706 5.307 50 10 HKCARN Clc1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4ccccc4cc4c3N2C[C@@H]2CC=C[C@H]42)cc1 ZINC000017265083 569030535 /nfs/dbraw/zinc/03/05/35/569030535.db2.gz ZRVUUSYPRMGSDR-KTCXRXHYSA-N 0 0 409.960 7.388 50 10 HKCARN CCCN1C(=O)/C(=C/C=C2/Sc3c(ccc4c3CCCC4)N2CC)SC1=S ZINC000017281815 569277605 /nfs/dbraw/zinc/27/76/05/569277605.db2.gz PZGHEIYOCYMTCE-MJZABRMRSA-N 0 0 416.637 5.493 50 10 HKCARN CCOc1cc(/C=C2\C=C(c3cccs3)OC2=O)ccc1OCc1ccccc1 ZINC000017299861 558826547 /nfs/dbraw/zinc/82/65/47/558826547.db2.gz LOLQBFXGDFJOSS-CPNJWEJPSA-N 0 0 404.487 5.707 50 10 HKCARN O=C(N[C@@H](Nc1ccc(N=Nc2ccccc2)cc1)C(=O)c1ccccc1)c1ccco1 ZINC000017729552 558827762 /nfs/dbraw/zinc/82/77/62/558827762.db2.gz WEGBNVJTBUUKNO-RVGLIBJPSA-N 0 0 424.460 5.746 50 10 HKCARN Cc1ccc(/N=N/c2ccc(C)cc2NC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000017746499 558827760 /nfs/dbraw/zinc/82/77/60/558827760.db2.gz YDCZDGAYCWOERN-OCEACIFDSA-N 0 0 403.442 6.579 50 10 HKCARN Cc1ccc(/N=N/c2ccc(C)cc2NC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000017887329 569012783 /nfs/dbraw/zinc/01/27/83/569012783.db2.gz JFSSGPQRAXLHRN-ZQHSETAFSA-N 0 0 412.415 7.382 50 10 HKCARN O=C(Nc1ccc(Cl)cc1)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21 ZINC000017969355 132465820 /nfs/dbraw/zinc/46/58/20/132465820.db2.gz GABJEMYOCSTNBS-NBJYBMASSA-N 0 0 402.925 5.745 50 10 HKCARN O=C(CF)N[C@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000018024213 558829575 /nfs/dbraw/zinc/82/95/75/558829575.db2.gz PZUBJZYYQRARFX-KGHZBTQCSA-N 0 0 403.672 5.296 50 10 HKCARN CN1c2ccccc2C(C)(C)/C1=C/C=C1\SC(=S)N(CCc2ccccc2)C1=O ZINC000018038482 560773424 /nfs/dbraw/zinc/77/34/24/560773424.db2.gz BMZQFNCMSYZEPQ-NMGXZBPKSA-N 0 0 420.603 5.285 50 10 HKCARN O=C(CF)N[C@@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000018082772 558830812 /nfs/dbraw/zinc/83/08/12/558830812.db2.gz PZUBJZYYQRARFX-XGBCSFPLSA-N 0 0 403.672 5.296 50 10 HKCARN O=C(N[C@H](Nc1ccc(N=Nc2ccccc2)cc1)C(=O)c1ccccc1)c1ccco1 ZINC000018126897 558831657 /nfs/dbraw/zinc/83/16/57/558831657.db2.gz WEGBNVJTBUUKNO-USTXVIIHSA-N 0 0 424.460 5.746 50 10 HKCARN Oc1ccc2ccccc2c1CNc1ncc(Br)cc1Br ZINC000018136997 560779641 /nfs/dbraw/zinc/77/96/41/560779641.db2.gz RCIUHRPXTLPEAX-UHFFFAOYSA-N 0 0 408.093 5.078 50 10 HKCARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000018157112 558832365 /nfs/dbraw/zinc/83/23/65/558832365.db2.gz YMWYYOFWBGBSJU-OCOZRVBESA-N 0 0 400.265 6.426 50 10 HKCARN CC(C)CC1=NN2C(=NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C2=N)S1 ZINC000018157122 560780402 /nfs/dbraw/zinc/78/04/02/560780402.db2.gz SZXUXWGVXKCSIU-BXODQFHZSA-N 0 0 412.902 5.265 50 10 HKCARN Cc1ccnc(N[C@@H](c2ccc3ccc(C)nc3c2O)c2c(Cl)cccc2Cl)c1 ZINC000018190082 558832898 /nfs/dbraw/zinc/83/28/98/558832898.db2.gz AUWBYGKTYGPRHY-QFIPXVFZSA-N 0 0 424.331 6.461 50 10 HKCARN Cc1ccnc(N[C@H](c2ccc3ccc(C)nc3c2O)c2c(Cl)cccc2Cl)c1 ZINC000018190084 558832929 /nfs/dbraw/zinc/83/29/29/558832929.db2.gz AUWBYGKTYGPRHY-JOCHJYFZSA-N 0 0 424.331 6.461 50 10 HKCARN COc1ccc(Cl)cc1NC(=O)Nc1cc(C)ccc1/N=N/c1ccc(C)cc1 ZINC000018190415 558832893 /nfs/dbraw/zinc/83/28/93/558832893.db2.gz HLYJVLHHRKQBTE-CYYJNZCTSA-N 0 0 408.889 7.025 50 10 HKCARN CCOc1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1OC ZINC000018190477 558832877 /nfs/dbraw/zinc/83/28/77/558832877.db2.gz HKCRQZKYEZZYKD-HSZRJFAPSA-N 0 0 415.493 5.253 50 10 HKCARN CCOc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1OC ZINC000018190480 558832921 /nfs/dbraw/zinc/83/29/21/558832921.db2.gz HKCRQZKYEZZYKD-QHCPKHFHSA-N 0 0 415.493 5.253 50 10 HKCARN FC(F)(F)Oc1ccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000018191777 560782043 /nfs/dbraw/zinc/78/20/43/560782043.db2.gz IOBFLGYMQDYLKL-ZQHSETAFSA-N 0 0 408.383 7.058 50 10 HKCARN COc1ccc(C2=NN(c3ccccc3C)C(=O)/C2=C\c2c[nH]c3ccccc23)cc1 ZINC000018192735 560782121 /nfs/dbraw/zinc/78/21/21/560782121.db2.gz JGZILYFFRVQQML-JCMHNJIXSA-N 0 0 407.473 5.319 50 10 HKCARN COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C\c2c[nH]c3ccccc23)cc1 ZINC000018193126 569387086 /nfs/dbraw/zinc/38/70/86/569387086.db2.gz OKXRIBXLQGWQPT-HAHDFKILSA-N 0 0 407.473 5.319 50 10 HKCARN COc1ccc(C2=NN(Cc3ccccc3)C(=O)/C2=C\c2c[nH]c3ccccc23)cc1 ZINC000018193423 560782148 /nfs/dbraw/zinc/78/21/48/560782148.db2.gz PRDTZVVKUTZAPD-HAHDFKILSA-N 0 0 407.473 5.007 50 10 HKCARN COc1ccc(/C=C2\C(=O)N(Cc3ccccc3)N=C2C)cc1OCc1ccccc1 ZINC000018194718 560782197 /nfs/dbraw/zinc/78/21/97/560782197.db2.gz NXZSMLUGKGQRHF-HAHDFKILSA-N 0 0 412.489 5.076 50 10 HKCARN C[C@@H](NC=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1)c1ccccc1 ZINC000018244237 558834417 /nfs/dbraw/zinc/83/44/17/558834417.db2.gz HDLBYRNZZOZVLE-PBEQFFAXSA-N 0 0 424.529 5.282 50 10 HKCARN C[C@H](NC=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1)c1ccccc1 ZINC000018244239 558834378 /nfs/dbraw/zinc/83/43/78/558834378.db2.gz HDLBYRNZZOZVLE-BJMRFWQKSA-N 0 0 424.529 5.282 50 10 HKCARN Cc1ccccc1/N=N/c1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C)c1 ZINC000018255897 560785658 /nfs/dbraw/zinc/78/56/58/560785658.db2.gz WFXJMXWPLKDRBT-CYYJNZCTSA-N 0 0 419.937 7.839 50 10 HKCARN CCN(CC)c1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c(O)c1 ZINC000019323313 558867593 /nfs/dbraw/zinc/86/75/93/558867593.db2.gz FSMOGYAYOBTPSD-UHFFFAOYSA-N 0 0 415.581 5.255 50 10 HKCARN Oc1ccc(Br)cc1C1N(Cc2ccccc2)CCN1Cc1ccccc1 ZINC000019323739 558867634 /nfs/dbraw/zinc/86/76/34/558867634.db2.gz JKUCENCQFJJKRN-UHFFFAOYSA-N 0 0 423.354 5.171 50 10 HKCARN CN(C)c1ccc(/C=C/C2N(Cc3ccccc3)CCCN2Cc2ccccc2)cc1 ZINC000019324969 558867789 /nfs/dbraw/zinc/86/77/89/558867789.db2.gz GWPLRBJONSCRSH-KNTRCKAVSA-N 0 0 411.593 5.500 50 10 HKCARN CN(C)c1ccc([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCOCC2)cc1 ZINC000019419685 558885384 /nfs/dbraw/zinc/88/53/84/558885384.db2.gz XXYCFYHVQMQCTD-XMMPIXPASA-N 0 0 424.629 5.475 50 10 biogenic HKCARN CN(C)c1ccc([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCOCC2)cc1 ZINC000019419687 558885351 /nfs/dbraw/zinc/88/53/51/558885351.db2.gz XXYCFYHVQMQCTD-DEOSSOPVSA-N 0 0 424.629 5.475 50 10 biogenic HKCARN Cc1oc2c(c1C(=O)c1ccc(Cl)cc1)c(C[NH+](C)C)c([O-])c(Cl)c2Cl ZINC000019594758 558945582 /nfs/dbraw/zinc/94/55/82/558945582.db2.gz VIYMPGWTEWZRDT-UHFFFAOYSA-N 0 0 412.700 5.700 50 10 HKCARN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1cc(Cl)cc(Cl)c1 ZINC000019618560 558946937 /nfs/dbraw/zinc/94/69/37/558946937.db2.gz UVIWAPPZIBDHHG-BNCCVWRVSA-N 0 0 405.331 5.881 50 10 HKCARN CCN(CC)c1ccc([C@@H]2Nc3nc4ccccc4cc3C(=O)N2c2ccccc2)cc1 ZINC000019625238 535689452 /nfs/dbraw/zinc/68/94/52/535689452.db2.gz ZTEGCRGNKDBGDC-AREMUKBSSA-N 0 0 422.532 5.852 50 10 HKCARN CCN(CC)c1ccc([C@H]2Nc3nc4ccccc4cc3C(=O)N2c2ccccc2)cc1 ZINC000019625243 558947307 /nfs/dbraw/zinc/94/73/07/558947307.db2.gz ZTEGCRGNKDBGDC-SANMLTNESA-N 0 0 422.532 5.852 50 10 HKCARN O=c1c2ccc([O-])c(C[NH+]3CCCCC3)c2occ1-c1ccc(Cl)cc1Cl ZINC000019682152 558956891 /nfs/dbraw/zinc/95/68/91/558956891.db2.gz MVJMELYOOGQQRY-UHFFFAOYSA-N 0 0 404.293 5.458 50 10 biogenic HKCARN Cc1ccc(Oc2c(=O)c3ccc([O-])c(C[NH+]4CCCC4)c3oc2C(F)(F)F)cc1 ZINC000019691244 558960606 /nfs/dbraw/zinc/96/06/06/558960606.db2.gz HAFVKGSMTVKXDX-UHFFFAOYSA-N 0 0 419.399 5.214 50 10 HKCARN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000019720154 558258649 /nfs/dbraw/zinc/25/86/49/558258649.db2.gz WEQRHRNSFZGUOI-WQRHYEAKSA-N 0 0 419.955 5.149 50 10 HKCARN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000019732860 558260172 /nfs/dbraw/zinc/26/01/72/558260172.db2.gz WCJQSMQMKNNZJC-PXNMLYILSA-N 0 0 404.438 5.593 50 10 HKCARN CCN(CC)c1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1 ZINC000019774544 558280862 /nfs/dbraw/zinc/28/08/62/558280862.db2.gz CXMAAVOCFYXCBV-DEDYPNTBSA-N 0 0 407.564 5.420 50 10 HKCARN CC(C)C[NH+](Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)coc21)CC(C)C ZINC000019789592 558282260 /nfs/dbraw/zinc/28/22/60/558282260.db2.gz LNRMQNPXCIIECJ-UHFFFAOYSA-N 0 0 413.945 5.933 50 10 biogenic HKCARN CC1CC[NH+](Cc2c([O-])ccc3c(=O)c(-c4ccc(Cl)cc4Cl)coc32)CC1 ZINC000019789600 569429836 /nfs/dbraw/zinc/42/98/36/569429836.db2.gz HTZVRPLGRVZHRA-UHFFFAOYSA-N 0 0 418.320 5.704 50 10 HKCARN O=c1c2ccc([O-])c(C[NH+]3CCCCCC3)c2occ1-c1ccc(Cl)cc1Cl ZINC000019789604 558282290 /nfs/dbraw/zinc/28/22/90/558282290.db2.gz BFHHVFRLXHSMES-UHFFFAOYSA-N 0 0 418.320 5.848 50 10 HKCARN CC[NH+](CC)Cc1c([O-])ccc2c(=O)c(-c3ccccc3OC)c(C(F)(F)F)oc21 ZINC000019790366 558282178 /nfs/dbraw/zinc/28/21/78/558282178.db2.gz UVDQHGNTHJYSAP-UHFFFAOYSA-N 0 0 421.415 5.035 50 10 biogenic HKCARN COc1ccccc1-c1coc2c(ccc([O-])c2C[NH+](CC(C)C)CC(C)C)c1=O ZINC000019790384 524277528 /nfs/dbraw/zinc/27/75/28/524277528.db2.gz PFLGGWCZHAUBTH-UHFFFAOYSA-N 0 0 409.526 5.288 50 10 HKCARN CC[N@H+](Cc1c([O-])ccc2c(=O)c(-c3ccccc3OC)coc21)C1CCCCC1 ZINC000019790398 558282470 /nfs/dbraw/zinc/28/24/70/558282470.db2.gz BVRGVSWCKSSWRN-UHFFFAOYSA-N 0 0 407.510 5.329 50 10 HKCARN CC1CC[NH+](Cc2c([O-])ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc32)CC1 ZINC000019791517 569429873 /nfs/dbraw/zinc/42/98/73/569429873.db2.gz MNYIIKDOBWJKNU-UHFFFAOYSA-N 0 0 417.427 5.416 50 10 HKCARN O=c1c2ccc([O-])c(C[NH+]3CCCCC3)c2oc(C(F)(F)F)c1-c1ccccc1 ZINC000019791518 569429884 /nfs/dbraw/zinc/42/98/84/569429884.db2.gz SPNKBIKMBXQPTK-UHFFFAOYSA-N 0 0 403.400 5.170 50 10 HKCARN CC(C)[NH+](Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc21)C(C)C ZINC000019791523 569282969 /nfs/dbraw/zinc/28/29/69/569282969.db2.gz BUONPAHZRQWHPQ-UHFFFAOYSA-N 0 0 419.443 5.803 50 10 HKCARN O=c1c2ccc([O-])c(C[NH+]3CCCCCC3)c2oc(C(F)(F)F)c1-c1ccccc1 ZINC000019791524 558282665 /nfs/dbraw/zinc/28/26/65/558282665.db2.gz ZSPVRWPLBGRZPO-UHFFFAOYSA-N 0 0 417.427 5.560 50 10 biogenic HKCARN CCCC[NH+](CCCC)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)coc21 ZINC000019791528 569429867 /nfs/dbraw/zinc/42/98/67/569429867.db2.gz IWQVPJNULWXZLT-UHFFFAOYSA-N 0 0 413.945 6.221 50 10 HKCARN C[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc21 ZINC000019791534 558282847 /nfs/dbraw/zinc/28/28/47/558282847.db2.gz CTSZSOSUWPEOKL-CQSZACIVSA-N 0 0 417.427 5.559 50 10 biogenic HKCARN C[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc21 ZINC000019791535 558282813 /nfs/dbraw/zinc/28/28/13/558282813.db2.gz CTSZSOSUWPEOKL-AWEZNQCLSA-N 0 0 417.427 5.559 50 10 biogenic HKCARN C[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc21 ZINC000019791537 558283014 /nfs/dbraw/zinc/28/30/14/558283014.db2.gz VFKFAHXTUGUHIJ-CYBMUJFWSA-N 0 0 418.320 5.847 50 10 HKCARN C[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc21 ZINC000019791538 558282972 /nfs/dbraw/zinc/28/29/72/558282972.db2.gz VFKFAHXTUGUHIJ-ZDUSSCGKSA-N 0 0 418.320 5.847 50 10 HKCARN CC[NH+](CC)Cc1c([O-])ccc2c(=O)c(Oc3cccc(C)c3)c(C(F)(F)F)oc21 ZINC000019791545 558283095 /nfs/dbraw/zinc/28/30/95/558283095.db2.gz HONLVPPREWTNHN-UHFFFAOYSA-N 0 0 421.415 5.460 50 10 biogenic HKCARN Cc1cc(C)cc(Oc2coc3c(ccc([O-])c3C[NH+](CC(C)C)CC(C)C)c2=O)c1 ZINC000019791712 558283089 /nfs/dbraw/zinc/28/30/89/558283089.db2.gz VZCLAXBIUYOEHD-UHFFFAOYSA-N 0 0 423.553 6.022 50 10 biogenic HKCARN Cc1cccc(Oc2c(=O)c3ccc([O-])c(C[NH+]4CCCC4)c3oc2C(F)(F)F)c1 ZINC000019791775 558282963 /nfs/dbraw/zinc/28/29/63/558282963.db2.gz AGKYEWBUYBYQFA-UHFFFAOYSA-N 0 0 419.399 5.214 50 10 HKCARN C[NH+](C)Cc1c([O-])ccc2c(=O)c(-c3cccc4ccccc43)c(C(F)(F)F)oc21 ZINC000019791781 558283038 /nfs/dbraw/zinc/28/30/38/558283038.db2.gz VFEUFPHSXXXTIW-UHFFFAOYSA-N 0 0 413.395 5.399 50 10 biogenic HKCARN CC(C)C[NH+](Cc1c([O-])ccc2c(=O)c(-c3ccccc3Cl)coc21)CC(C)C ZINC000019791812 519717941 /nfs/dbraw/zinc/71/79/41/519717941.db2.gz IPNVJFQXZQLLBQ-UHFFFAOYSA-N 0 0 413.945 5.933 50 10 HKCARN C[N@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(-c3ccccc3Cl)coc21 ZINC000019791814 558283029 /nfs/dbraw/zinc/28/30/29/558283029.db2.gz BECQZFYUKOAZDP-UHFFFAOYSA-N 0 0 405.881 5.451 50 10 biogenic HKCARN CC[NH+](CC)Cc1c([O-])ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc21 ZINC000019791837 558283072 /nfs/dbraw/zinc/28/30/72/558283072.db2.gz HEDHREYQKRQWIN-UHFFFAOYSA-N 0 0 415.489 5.800 50 10 HKCARN CCCC[N@H+](C)Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc21 ZINC000019792791 569429888 /nfs/dbraw/zinc/42/98/88/569429888.db2.gz VNJMHUOCMTXGMK-UHFFFAOYSA-N 0 0 405.416 5.416 50 10 HKCARN CC(C)c1ccccc1Oc1c(=O)c2ccc([O-])c(C[NH+](C)C)c2oc1C(F)(F)F ZINC000019792858 558283527 /nfs/dbraw/zinc/28/35/27/558283527.db2.gz HDRPIWHCQBKGMG-UHFFFAOYSA-N 0 0 421.415 5.495 50 10 HKCARN C[NH+](C)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc21 ZINC000019793004 569429985 /nfs/dbraw/zinc/42/99/85/569429985.db2.gz WGMVUVWPTPAYGK-UHFFFAOYSA-N 0 0 413.779 5.025 50 10 HKCARN CC[N@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)coc21 ZINC000019793053 558283800 /nfs/dbraw/zinc/28/38/00/558283800.db2.gz FLCQDSLSXMMQED-UHFFFAOYSA-N 0 0 419.908 5.841 50 10 biogenic HKCARN CC[N@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(-c3ccccc3Cl)coc21 ZINC000019793055 569430029 /nfs/dbraw/zinc/43/00/29/569430029.db2.gz WKMPGLLSWXXZLS-UHFFFAOYSA-N 0 0 419.908 5.841 50 10 HKCARN CCC[NH+](CCC)Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc21 ZINC000019793062 521647872 /nfs/dbraw/zinc/64/78/72/521647872.db2.gz UPFBVFFPPRPBFX-UHFFFAOYSA-N 0 0 419.443 5.806 50 10 HKCARN Cc1oc2c(ccc([O-])c2C[N@H+]2CCCC[C@H]2C)c(=O)c1-c1nc2ccccc2s1 ZINC000019794746 569430230 /nfs/dbraw/zinc/43/02/30/569430230.db2.gz GTULVKNEFCCPIH-CQSZACIVSA-N 0 0 420.534 5.458 50 10 biogenic HKCARN Cc1oc2c(ccc([O-])c2C[N@H+]2CCCC[C@@H]2C)c(=O)c1-c1nc2ccccc2s1 ZINC000019794747 569430200 /nfs/dbraw/zinc/43/02/00/569430200.db2.gz GTULVKNEFCCPIH-AWEZNQCLSA-N 0 0 420.534 5.458 50 10 biogenic HKCARN Cc1ccccc1COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000019798785 525172187 /nfs/dbraw/zinc/17/21/87/525172187.db2.gz ZPFRTTVJFSTVNJ-JCMHNJIXSA-N 0 0 417.555 5.980 50 10 HKCARN CCC(/C=C1\Sc2ccc(OC)cc2N1CC)=C1/C(C)=NN(c2ccccc2)C1=O ZINC000019834148 558292308 /nfs/dbraw/zinc/29/23/08/558292308.db2.gz SYCVVGKPMRQXDX-MFUQELJTSA-N 0 0 419.550 5.598 50 10 HKCARN CCOc1cc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)ccc1O ZINC000019849871 558295355 /nfs/dbraw/zinc/29/53/55/558295355.db2.gz YYVXSAJIUCJTPC-HSZRJFAPSA-N 0 0 415.493 5.258 50 10 HKCARN CCOc1cc([C@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)ccc1O ZINC000019849872 558295378 /nfs/dbraw/zinc/29/53/78/558295378.db2.gz YYVXSAJIUCJTPC-QHCPKHFHSA-N 0 0 415.493 5.258 50 10 HKCARN CCOC(=O)c1c(C)oc2c1c(C[N@@H+]1CCc3ccccc3C1)c([O-])c1ccccc21 ZINC000019864001 569431581 /nfs/dbraw/zinc/43/15/81/569431581.db2.gz VAXADGNCVQLABU-UHFFFAOYSA-N 0 0 415.489 5.335 50 10 HKCARN O=c1c2ccc([O-])c(C[NH+]3CCCCC3)c2oc(C(F)(F)F)c1Oc1ccccc1 ZINC000019867786 558299345 /nfs/dbraw/zinc/29/93/45/558299345.db2.gz WNSRLWJIDGAXRU-UHFFFAOYSA-N 0 0 419.399 5.296 50 10 HKCARN O=C1C=CC(=NNc2ccccc2)C=C1C(=S)N1CCN(Cc2ccccc2)CC1 ZINC000019873639 558299677 /nfs/dbraw/zinc/29/96/77/558299677.db2.gz WOQPEEYMBIDEKI-OCEACIFDSA-N 0 0 416.550 5.301 50 10 HKCARN O=[N+]([O-])c1cc(Cl)cc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21 ZINC000019887074 569030942 /nfs/dbraw/zinc/03/09/42/569030942.db2.gz DSZJWVMVPRZSCN-CKEIUWERSA-N 0 0 405.679 5.837 50 10 HKCARN Clc1ccc(Cl)c2c1N[C@H](c1ccc(OC3CSC3)cc1)[C@H]1CC=C[C@@H]21 ZINC000019888588 568994462 /nfs/dbraw/zinc/99/44/62/568994462.db2.gz HZKPDOSNAHBFMR-GQIGUUNPSA-N 0 0 404.362 6.314 50 10 HKCARN Clc1ccc(Cl)c2c1N[C@H](c1ccc(OC3CSC3)cc1)[C@@H]1CC=C[C@@H]21 ZINC000019888589 568994467 /nfs/dbraw/zinc/99/44/67/568994467.db2.gz HZKPDOSNAHBFMR-JXXFODFXSA-N 0 0 404.362 6.314 50 10 HKCARN Clc1ccc(Cl)c2c1N[C@H](c1ccc(OC3CSC3)cc1)[C@@H]1CC=C[C@H]21 ZINC000019888590 568994558 /nfs/dbraw/zinc/99/45/58/568994558.db2.gz HZKPDOSNAHBFMR-RZQQEMMASA-N 0 0 404.362 6.314 50 10 HKCARN Cc1ccc(COc2ccc([C@@H]3Nc4c(Cl)cccc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000019891406 558303215 /nfs/dbraw/zinc/30/32/15/558303215.db2.gz JKIBNJANVUIJOM-RQTOMXEWSA-N 0 0 401.937 7.054 50 10 HKCARN Cc1ccc(COc2ccc([C@@H]3Nc4c(Cl)cccc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000019891408 558303218 /nfs/dbraw/zinc/30/32/18/558303218.db2.gz JKIBNJANVUIJOM-FBLLAGFSSA-N 0 0 401.937 7.054 50 10 HKCARN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1 ZINC000019893166 558303467 /nfs/dbraw/zinc/30/34/67/558303467.db2.gz KXWUEAXYCNIRLA-XDHOZWIPSA-N 0 0 422.487 5.569 50 10 HKCARN CCOC(=O)c1c(CSc2ccccc2)oc2cc(C[NH+](C)C)c([O-])c(Cl)c21 ZINC000019898157 558304405 /nfs/dbraw/zinc/30/44/05/558304405.db2.gz CUPOPGWAZZSJLG-UHFFFAOYSA-N 0 0 419.930 5.322 50 10 HKCARN CC[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3nc4ccccc4s3)coc21 ZINC000019898682 568585470 /nfs/dbraw/zinc/58/54/70/568585470.db2.gz BJYPTCSTEWHGCQ-OAHLLOKOSA-N 0 0 420.534 5.540 50 10 HKCARN CC[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3nc4ccccc4s3)coc21 ZINC000019898683 568585484 /nfs/dbraw/zinc/58/54/84/568585484.db2.gz BJYPTCSTEWHGCQ-HNNXBMFYSA-N 0 0 420.534 5.540 50 10 HKCARN C[NH+](C)Cc1c([O-])ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000019902460 568585450 /nfs/dbraw/zinc/58/54/50/568585450.db2.gz OCOZOVSIUVGPGL-UHFFFAOYSA-N 0 0 413.779 5.025 50 10 HKCARN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000019911114 526938767 /nfs/dbraw/zinc/93/87/67/526938767.db2.gz ARVQMJPZTGVQKA-APSNUPSMSA-N 0 0 405.331 5.881 50 10 HKCARN CC(C)c1ccc(Oc2c(=O)c3ccc([O-])c(C[NH+](C)C)c3oc2C(F)(F)F)cc1 ZINC000019912017 558306551 /nfs/dbraw/zinc/30/65/51/558306551.db2.gz WLGVTVNHRUPLHT-UHFFFAOYSA-N 0 0 421.415 5.495 50 10 HKCARN CC(C)N1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S ZINC000019913087 558306904 /nfs/dbraw/zinc/30/69/04/558306904.db2.gz RAVCGFIAIJFNBI-XDHOZWIPSA-N 0 0 423.538 5.288 50 10 HKCARN CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\c1ccc(Oc2ccccc2)cc1 ZINC000019943960 568586185 /nfs/dbraw/zinc/58/61/85/568586185.db2.gz NKKCUABRIGFFPH-MOSHPQCFSA-N 0 0 423.299 6.592 50 10 HKCARN N=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000019997720 526838007 /nfs/dbraw/zinc/83/80/07/526838007.db2.gz DBQXWSVUMPWJFY-SCORJZKRSA-N 0 0 415.449 5.390 50 10 HKCARN Cc1ccccc1COc1ccc(/C=C2/C(=N)N3C=CSC3=NC2=O)cc1Cl ZINC000020032210 568586528 /nfs/dbraw/zinc/58/65/28/568586528.db2.gz MKKLAJKGUIKZOP-HRIUQOHOSA-N 0 0 409.898 5.004 50 10 HKCARN Cc1cccc(COc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2Cl)c1 ZINC000020032214 568586411 /nfs/dbraw/zinc/58/64/11/568586411.db2.gz HQEAYAMRTMFDRK-HRIUQOHOSA-N 0 0 409.898 5.004 50 10 HKCARN Cc1ccc(COc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2Cl)cc1 ZINC000020032218 524629111 /nfs/dbraw/zinc/62/91/11/524629111.db2.gz SYTYUNODIGLLGR-HRIUQOHOSA-N 0 0 409.898 5.004 50 10 HKCARN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(SC)cc1 ZINC000020032824 568586489 /nfs/dbraw/zinc/58/64/89/568586489.db2.gz SRBVPCOHJYAVGW-UYRXBGFRSA-N 0 0 413.926 5.329 50 10 HKCARN Cc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000020037349 568586778 /nfs/dbraw/zinc/58/67/78/568586778.db2.gz PQVOMQNOZOFZOD-JFNNLOOZSA-N 0 0 404.539 5.385 50 10 HKCARN Oc1c(O)c(Cl)c(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Cl ZINC000020058177 568586928 /nfs/dbraw/zinc/58/69/28/568586928.db2.gz QQMLNNBSPONFHD-UHFFFAOYSA-N 0 0 421.323 6.787 50 10 HKCARN CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4O)=NN32)cc1OC ZINC000020070670 568587354 /nfs/dbraw/zinc/58/73/54/568587354.db2.gz NOPNGIPQCQNRQM-NLFFAJNJSA-N 0 0 416.477 5.042 50 10 HKCARN CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4O)=NN32)cc1OC ZINC000020070673 568587503 /nfs/dbraw/zinc/58/75/03/568587503.db2.gz NOPNGIPQCQNRQM-CJFMBICVSA-N 0 0 416.477 5.042 50 10 HKCARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4O)=NN32)cc1O ZINC000020070736 568587309 /nfs/dbraw/zinc/58/73/09/568587309.db2.gz MNFBIVTZUKIBJQ-MBSDFSHPSA-N 0 0 422.868 5.002 50 10 HKCARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4O)=NN32)cc1O ZINC000020070739 568587305 /nfs/dbraw/zinc/58/73/05/568587305.db2.gz MNFBIVTZUKIBJQ-FDDCHVKYSA-N 0 0 422.868 5.002 50 10 HKCARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4O)=NN32)cc1O ZINC000020070742 568587415 /nfs/dbraw/zinc/58/74/15/568587415.db2.gz MNFBIVTZUKIBJQ-JPYJTQIMSA-N 0 0 422.868 5.002 50 10 HKCARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4O)=NN32)cc1O ZINC000020070744 568587298 /nfs/dbraw/zinc/58/72/98/568587298.db2.gz MNFBIVTZUKIBJQ-WZONZLPQSA-N 0 0 422.868 5.002 50 10 HKCARN COc1cc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4O)=NN32)ccc1O ZINC000020070747 568587468 /nfs/dbraw/zinc/58/74/68/568587468.db2.gz SKXNYHUOXSATSX-MBSDFSHPSA-N 0 0 422.868 5.002 50 10 HKCARN COc1cc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4O)=NN32)ccc1O ZINC000020070750 568587409 /nfs/dbraw/zinc/58/74/09/568587409.db2.gz SKXNYHUOXSATSX-FDDCHVKYSA-N 0 0 422.868 5.002 50 10 HKCARN COc1cc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4O)=NN32)ccc1O ZINC000020070753 568587400 /nfs/dbraw/zinc/58/74/00/568587400.db2.gz SKXNYHUOXSATSX-JPYJTQIMSA-N 0 0 422.868 5.002 50 10 HKCARN COc1cc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4O)=NN32)ccc1O ZINC000020070756 568587328 /nfs/dbraw/zinc/58/73/28/568587328.db2.gz SKXNYHUOXSATSX-WZONZLPQSA-N 0 0 422.868 5.002 50 10 HKCARN COc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cc(Cl)ccc4O)=NN32)ccc1O ZINC000020070821 568587379 /nfs/dbraw/zinc/58/73/79/568587379.db2.gz YWGRYVMRUYWRCD-MBSDFSHPSA-N 0 0 422.868 5.002 50 10 HKCARN COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4cc(Cl)ccc4O)=NN32)ccc1O ZINC000020070823 568587488 /nfs/dbraw/zinc/58/74/88/568587488.db2.gz YWGRYVMRUYWRCD-FDDCHVKYSA-N 0 0 422.868 5.002 50 10 HKCARN COc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4cc(Cl)ccc4O)=NN32)ccc1O ZINC000020070826 568587436 /nfs/dbraw/zinc/58/74/36/568587436.db2.gz YWGRYVMRUYWRCD-JPYJTQIMSA-N 0 0 422.868 5.002 50 10 HKCARN COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4cc(Cl)ccc4O)=NN32)ccc1O ZINC000020070829 568587421 /nfs/dbraw/zinc/58/74/21/568587421.db2.gz YWGRYVMRUYWRCD-WZONZLPQSA-N 0 0 422.868 5.002 50 10 HKCARN CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4O)=NN32)cc1 ZINC000020071051 568587677 /nfs/dbraw/zinc/58/76/77/568587677.db2.gz PJJBDLPWNGRRFT-BWKNWUBXSA-N 0 0 416.477 5.042 50 10 HKCARN CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4O)=NN32)cc1 ZINC000020071053 568587749 /nfs/dbraw/zinc/58/77/49/568587749.db2.gz PJJBDLPWNGRRFT-PXDATVDWSA-N 0 0 416.477 5.042 50 10 HKCARN COc1cccc2c1O[C@H](c1cccc(O)c1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 ZINC000020071199 568587660 /nfs/dbraw/zinc/58/76/60/568587660.db2.gz SULFABMBIPMFDQ-WMZHIEFXSA-N 0 0 422.868 5.002 50 10 HKCARN COc1cccc2c1O[C@H](c1cccc(O)c1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 ZINC000020071201 568587713 /nfs/dbraw/zinc/58/77/13/568587713.db2.gz SULFABMBIPMFDQ-AUSIDOKSSA-N 0 0 422.868 5.002 50 10 HKCARN COc1cccc2c1O[C@H](c1ccc(O)cc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 ZINC000020071227 568587734 /nfs/dbraw/zinc/58/77/34/568587734.db2.gz LPGAGUCQEXUGTO-WMZHIEFXSA-N 0 0 422.868 5.002 50 10 HKCARN COc1cccc2c1O[C@H](c1ccc(O)cc1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 ZINC000020071230 568587579 /nfs/dbraw/zinc/58/75/79/568587579.db2.gz LPGAGUCQEXUGTO-AUSIDOKSSA-N 0 0 422.868 5.002 50 10 HKCARN CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cc(OC)ccc4O)=NN32)cc1 ZINC000020071277 568587572 /nfs/dbraw/zinc/58/75/72/568587572.db2.gz NCALGPLTBLDDCX-RDGATRHJSA-N 0 0 416.477 5.042 50 10 HKCARN CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cc(OC)ccc4O)=NN32)cc1 ZINC000020071280 568587748 /nfs/dbraw/zinc/58/77/48/568587748.db2.gz NCALGPLTBLDDCX-RCZVLFRGSA-N 0 0 416.477 5.042 50 10 HKCARN CCc1ccc(NCN2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)SC2=S)cc1 ZINC000020071813 558330800 /nfs/dbraw/zinc/33/08/00/558330800.db2.gz XEHPOJCGXZKEFF-LICLKQGHSA-N 0 0 423.390 5.827 50 10 HKCARN Cc1cccc(C)c1NCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S ZINC000020072908 568587610 /nfs/dbraw/zinc/58/76/10/568587610.db2.gz ZNBVGXURRJASJK-CXUHLZMHSA-N 0 0 423.390 5.881 50 10 HKCARN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000020118593 558336705 /nfs/dbraw/zinc/33/67/05/558336705.db2.gz RYYYFFTXMNDWKA-APSNUPSMSA-N 0 0 405.331 5.881 50 10 HKCARN CC1CC[NH+](Cc2c([O-])ccc3c(=O)c(-c4nc5ccccc5s4)coc32)CC1 ZINC000020192424 568593559 /nfs/dbraw/zinc/59/35/59/568593559.db2.gz ATCMOHWSWARZAW-UHFFFAOYSA-N 0 0 406.507 5.007 50 10 HKCARN COc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000020228756 568595117 /nfs/dbraw/zinc/59/51/17/568595117.db2.gz WUTTZCNAGSDZKM-RVKKMQEKSA-N 0 0 401.260 5.192 50 10 HKCARN COc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21 ZINC000020228758 568595191 /nfs/dbraw/zinc/59/51/91/568595191.db2.gz WUTTZCNAGSDZKM-IIDMSEBBSA-N 0 0 401.260 5.192 50 10 HKCARN C[C@@H]1CCC[N@H+](Cc2c([O-])ccc3c(=O)c(-c4nc5ccccc5s4)coc32)C1 ZINC000020231470 569064357 /nfs/dbraw/zinc/06/43/57/569064357.db2.gz WFRSFJHNRAQMBY-CQSZACIVSA-N 0 0 406.507 5.007 50 10 HKCARN C[C@H]1CCC[N@H+](Cc2c([O-])ccc3c(=O)c(-c4nc5ccccc5s4)coc32)C1 ZINC000020231473 568595217 /nfs/dbraw/zinc/59/52/17/568595217.db2.gz WFRSFJHNRAQMBY-AWEZNQCLSA-N 0 0 406.507 5.007 50 10 HKCARN C[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3nc4ccccc4s3)coc21 ZINC000020233247 568595474 /nfs/dbraw/zinc/59/54/74/568595474.db2.gz JPMBWXPVXZPNGX-CQSZACIVSA-N 0 0 406.507 5.150 50 10 HKCARN C[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3nc4ccccc4s3)coc21 ZINC000020233252 568595519 /nfs/dbraw/zinc/59/55/19/568595519.db2.gz JPMBWXPVXZPNGX-AWEZNQCLSA-N 0 0 406.507 5.150 50 10 HKCARN O=C1/C(=C/c2ccc(SC3CCCCC3)o2)SC(=S)N1Cc1ccccc1 ZINC000020238607 526942148 /nfs/dbraw/zinc/94/21/48/526942148.db2.gz KBXPBPXCJSXRAJ-AQTBWJFISA-N 0 0 415.605 6.106 50 10 HKCARN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)o1 ZINC000020238640 526066955 /nfs/dbraw/zinc/06/69/55/526066955.db2.gz IJSWWSLGIAUJPY-UNOMPAQXSA-N 0 0 422.487 5.569 50 10 HKCARN CC1=NN2C(=NC(=O)/C(=C/c3ccc(Sc4cccc5ccccc54)o3)C2=N)S1 ZINC000020238660 520899508 /nfs/dbraw/zinc/89/95/08/520899508.db2.gz HKTAJJFZQMEYGV-SAIIIAOYSA-N 0 0 418.503 5.223 50 10 HKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(SC4CCCCC4)o3)C2=N)S1 ZINC000020238696 568595903 /nfs/dbraw/zinc/59/59/03/568595903.db2.gz NEXDEZLUDNQHDY-ASMXPFNQSA-N 0 0 416.572 5.514 50 10 HKCARN Fc1cccc(Cl)c1[C@@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@@H]2C=CC[C@H]21 ZINC000020243081 568596131 /nfs/dbraw/zinc/59/61/31/568596131.db2.gz VZRMBMRSPDATGR-CGMALJKESA-N 0 0 403.111 7.266 50 10 HKCARN Oc1c([C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc(Cl)c2cccnc12 ZINC000020265752 558352561 /nfs/dbraw/zinc/35/25/61/558352561.db2.gz AVMAPEYTCJBJBG-IBGZPJMESA-N 0 0 422.834 5.034 50 10 HKCARN Oc1c([C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc(Cl)c2cccnc12 ZINC000020265756 558352504 /nfs/dbraw/zinc/35/25/04/558352504.db2.gz AVMAPEYTCJBJBG-LJQANCHMSA-N 0 0 422.834 5.034 50 10 HKCARN CC1=CN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=N)S1 ZINC000020266505 558352882 /nfs/dbraw/zinc/35/28/82/558352882.db2.gz KLPUQTCZULSGAW-RRGLTGFNSA-N 0 0 404.278 5.420 50 10 HKCARN CCCCCCc1c(C)c2cc(Cl)c([O-])c(C[N@@H+]3CCC[C@@H](C)C3)c2oc1=O ZINC000020266624 558352736 /nfs/dbraw/zinc/35/27/36/558352736.db2.gz YTXMQFMTPUVPAO-OAHLLOKOSA-N 0 0 405.966 5.815 50 10 HKCARN CCCCCCc1c(C)c2cc(Cl)c([O-])c(C[N@@H+]3CCC[C@H](C)C3)c2oc1=O ZINC000020266627 558352809 /nfs/dbraw/zinc/35/28/09/558352809.db2.gz YTXMQFMTPUVPAO-HNNXBMFYSA-N 0 0 405.966 5.815 50 10 HKCARN O=C1c2ccccc2-c2onc3c2c1c(NC1CCCCC1)cc3NCc1ccccc1 ZINC000020322307 527126763 /nfs/dbraw/zinc/12/67/63/527126763.db2.gz FMALBMOBKKKEJG-UHFFFAOYSA-N 0 0 423.516 6.396 50 10 HKCARN O=C1c2ccccc2-c2onc3c2c1c(NCc1ccco1)cc3NCc1ccccc1 ZINC000020322384 568598940 /nfs/dbraw/zinc/59/89/40/568598940.db2.gz LAHDPHQERMFSFP-UHFFFAOYSA-N 0 0 421.456 5.856 50 10 HKCARN O=C1/C(=C/c2ccc(SCc3ccccc3)o2)SC(=S)N1Cc1ccccc1 ZINC000020324562 568599192 /nfs/dbraw/zinc/59/91/92/568599192.db2.gz KDUNURVZQRPFRY-UYRXBGFRSA-N 0 0 423.584 5.973 50 10 HKCARN N=C1/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)C(=O)N=C2SC=CN21 ZINC000020324645 526837685 /nfs/dbraw/zinc/83/76/85/526837685.db2.gz OXJLNFSJIQYGLT-FZVWOUGZSA-N 0 0 401.900 5.002 50 10 HKCARN CC1=CN2C(=NC(=O)/C(=C\c3ccc(SCc4ccc(Cl)cc4)o3)C2=N)S1 ZINC000020324761 568599118 /nfs/dbraw/zinc/59/91/18/568599118.db2.gz BXBQXPJUUPMWOQ-OKIZQULLSA-N 0 0 415.927 5.392 50 10 HKCARN Cc1ccccc1N1C(=O)/C(=C/c2ccc(SCc3ccccc3)o2)SC1=S ZINC000020324773 568599138 /nfs/dbraw/zinc/59/91/38/568599138.db2.gz UCSJMYSDBWKEPC-UYRXBGFRSA-N 0 0 423.584 6.286 50 10 HKCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(SCc4ccccc4)o3)SC2=S)cc1 ZINC000020324785 524919298 /nfs/dbraw/zinc/91/92/98/524919298.db2.gz XWKHFYSPNXXWBH-UYRXBGFRSA-N 0 0 423.584 6.286 50 10 HKCARN Cc1cccc(N2C(=O)/C(=C/c3ccc(SCc4ccccc4)o3)SC2=S)c1 ZINC000020324814 568599143 /nfs/dbraw/zinc/59/91/43/568599143.db2.gz CEYKGHUFEWNGTM-UYRXBGFRSA-N 0 0 423.584 6.286 50 10 HKCARN Cc1c2cc(Cl)c([O-])c(C[N@H+]3CCC[C@@H](C)C3)c2oc(=O)c1Cc1ccccc1 ZINC000020328637 558355901 /nfs/dbraw/zinc/35/59/01/558355901.db2.gz IMSTWSGOWCZXAJ-OAHLLOKOSA-N 0 0 411.929 5.283 50 10 HKCARN Cc1c2cc(Cl)c([O-])c(C[N@H+]3CCC[C@H](C)C3)c2oc(=O)c1Cc1ccccc1 ZINC000020328643 558355836 /nfs/dbraw/zinc/35/58/36/558355836.db2.gz IMSTWSGOWCZXAJ-HNNXBMFYSA-N 0 0 411.929 5.283 50 10 HKCARN C[N@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)coc21 ZINC000020412346 568605513 /nfs/dbraw/zinc/60/55/13/568605513.db2.gz SXNKKBCJPUVWKT-UHFFFAOYSA-N 0 0 405.881 5.451 50 10 HKCARN C[C@@H]1CCC[N@H+](Cc2c([O-])ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc32)C1 ZINC000020412395 568605579 /nfs/dbraw/zinc/60/55/79/568605579.db2.gz CEJHQXJNVXBZGW-CQSZACIVSA-N 0 0 417.427 5.416 50 10 HKCARN C[C@H]1CCC[N@H+](Cc2c([O-])ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc32)C1 ZINC000020412397 568605416 /nfs/dbraw/zinc/60/54/16/568605416.db2.gz CEJHQXJNVXBZGW-AWEZNQCLSA-N 0 0 417.427 5.416 50 10 HKCARN Cc1cc(CN(C(=O)Nc2ccccc2C)C2CCCC2)c(C)n1-c1ccccc1 ZINC000020413808 524645368 /nfs/dbraw/zinc/64/53/68/524645368.db2.gz FWXVTMIZZHDKBN-UHFFFAOYSA-N 0 0 401.554 6.379 50 10 HKCARN COc1ccc(-c2c(C)oc3c(ccc([O-])c3C[N@H+](C)Cc3ccccc3)c2=O)cc1 ZINC000020461237 568609774 /nfs/dbraw/zinc/60/97/74/568609774.db2.gz UKCFNDDTBVRUEQ-UHFFFAOYSA-N 0 0 415.489 5.115 50 10 biogenic HKCARN O=C(NCc1ccccc1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000020489516 568613977 /nfs/dbraw/zinc/61/39/77/568613977.db2.gz XVIZFMGUILXUQG-UHFFFAOYSA-N 0 0 420.556 6.343 50 10 HKCARN O=C(NCc1ccco1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000020489532 568614330 /nfs/dbraw/zinc/61/43/30/568614330.db2.gz QOSSVKYLOXFXLR-UHFFFAOYSA-N 0 0 410.517 5.936 50 10 HKCARN Cc1cc2c(n1-c1ccc(C(=O)NCCc3ccc(Cl)cc3)cc1)CCCCC2 ZINC000020532499 568628402 /nfs/dbraw/zinc/62/84/02/568628402.db2.gz CLLMOBSSGIBBFJ-UHFFFAOYSA-N 0 0 406.957 5.681 50 10 HKCARN Cc1cc2c(n1-c1ccc(C(=O)N3CCN(c4ccccc4)CC3)cc1)CCCCC2 ZINC000020532509 568628247 /nfs/dbraw/zinc/62/82/47/568628247.db2.gz MLFLYQXUNMZPAE-UHFFFAOYSA-N 0 0 413.565 5.017 50 10 HKCARN COc1ccc(/C=C2/SC(=S)N(C(C)C)C2=O)cc1COc1ccc(F)cc1 ZINC000020602357 523414395 /nfs/dbraw/zinc/41/43/95/523414395.db2.gz OBMNMYOGMPJMIJ-YBFXNURJSA-N 0 0 417.527 5.023 50 10 HKCARN CCN1C(=O)/C(=C/c2ccc(COc3ccc(Cl)c(Cl)c3)o2)SC1=S ZINC000020608704 568636749 /nfs/dbraw/zinc/63/67/49/568636749.db2.gz IAESHSJTXJBKLK-NVNXTCNLSA-N 0 0 414.335 5.387 50 10 HKCARN CCN1C(=O)/C(=C\c2ccc(OC)c(COc3cccc(Cl)c3)c2)SC1=S ZINC000020608721 568457601 /nfs/dbraw/zinc/45/76/01/568457601.db2.gz HYXBFRUMCQHPFR-VCHYOVAHSA-N 0 0 419.955 5.149 50 10 HKCARN Oc1ccccc1[C@@H]1CC(c2cccs2)=N[C@@H](c2ccc(Br)cc2)N1 ZINC000020763478 568642767 /nfs/dbraw/zinc/64/27/67/568642767.db2.gz RUVSDLFTMKWXDI-JXFKEZNVSA-N 0 0 413.340 5.439 50 10 HKCARN Oc1ccccc1[C@H]1CC(c2cccs2)=N[C@@H](c2ccc(Br)cc2)N1 ZINC000020763483 568642718 /nfs/dbraw/zinc/64/27/18/568642718.db2.gz RUVSDLFTMKWXDI-UZLBHIALSA-N 0 0 413.340 5.439 50 10 HKCARN Oc1ccccc1[C@@H]1CC(c2cccs2)=N[C@H](c2ccc(Br)cc2)N1 ZINC000020763488 568642647 /nfs/dbraw/zinc/64/26/47/568642647.db2.gz RUVSDLFTMKWXDI-OXJNMPFZSA-N 0 0 413.340 5.439 50 10 HKCARN Oc1ccccc1[C@H]1CC(c2cccs2)=N[C@H](c2ccc(Br)cc2)N1 ZINC000020763493 568642611 /nfs/dbraw/zinc/64/26/11/568642611.db2.gz RUVSDLFTMKWXDI-OXQOHEQNSA-N 0 0 413.340 5.439 50 10 HKCARN Oc1ccccc1[C@@H]1CC(c2cccs2)=N[C@@H](c2cccc(Br)c2)N1 ZINC000020763823 568642895 /nfs/dbraw/zinc/64/28/95/568642895.db2.gz KRHHVDRHIPGCBO-JXFKEZNVSA-N 0 0 413.340 5.439 50 10 HKCARN Oc1ccccc1[C@H]1CC(c2cccs2)=N[C@@H](c2cccc(Br)c2)N1 ZINC000020763828 568642905 /nfs/dbraw/zinc/64/29/05/568642905.db2.gz KRHHVDRHIPGCBO-UZLBHIALSA-N 0 0 413.340 5.439 50 10 HKCARN Oc1ccccc1[C@@H]1CC(c2cccs2)=N[C@H](c2cccc(Br)c2)N1 ZINC000020763832 568642933 /nfs/dbraw/zinc/64/29/33/568642933.db2.gz KRHHVDRHIPGCBO-OXJNMPFZSA-N 0 0 413.340 5.439 50 10 HKCARN Oc1ccccc1[C@H]1CC(c2cccs2)=N[C@H](c2cccc(Br)c2)N1 ZINC000020763836 568642890 /nfs/dbraw/zinc/64/28/90/568642890.db2.gz KRHHVDRHIPGCBO-OXQOHEQNSA-N 0 0 413.340 5.439 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3ccccc3F)N2)c1O ZINC000020763942 568642949 /nfs/dbraw/zinc/64/29/49/568642949.db2.gz DQQMJARVLLGBLC-WIOPSUGQSA-N 0 0 420.484 5.161 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3ccccc3F)N2)c1O ZINC000020763946 568642997 /nfs/dbraw/zinc/64/29/97/568642997.db2.gz DQQMJARVLLGBLC-RCZVLFRGSA-N 0 0 420.484 5.161 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@H](c3ccccc3F)N2)c1O ZINC000020763950 568642944 /nfs/dbraw/zinc/64/29/44/568642944.db2.gz DQQMJARVLLGBLC-DHLKQENFSA-N 0 0 420.484 5.161 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@H](c3ccccc3F)N2)c1O ZINC000020763954 568642982 /nfs/dbraw/zinc/64/29/82/568642982.db2.gz DQQMJARVLLGBLC-RDGATRHJSA-N 0 0 420.484 5.161 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3cccc(F)c3)N2)c1O ZINC000020764156 568643002 /nfs/dbraw/zinc/64/30/02/568643002.db2.gz LCFZMGZBQAHALZ-XUZZJYLKSA-N 0 0 424.903 5.806 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3cccc(F)c3)N2)c1O ZINC000020764160 568642939 /nfs/dbraw/zinc/64/29/39/568642939.db2.gz LCFZMGZBQAHALZ-ZJSXRUAMSA-N 0 0 424.903 5.806 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3cccc(F)c3)N2)c1O ZINC000020764164 568643000 /nfs/dbraw/zinc/64/30/00/568643000.db2.gz LCFZMGZBQAHALZ-URXFXBBRSA-N 0 0 424.903 5.806 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3cccc(F)c3)N2)c1O ZINC000020764168 568643018 /nfs/dbraw/zinc/64/30/18/568643018.db2.gz LCFZMGZBQAHALZ-QPPBQGQZSA-N 0 0 424.903 5.806 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(F)cc3)N2)c1O ZINC000020764172 568642941 /nfs/dbraw/zinc/64/29/41/568642941.db2.gz RAKGBKFUGGQGCQ-XUZZJYLKSA-N 0 0 424.903 5.806 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(F)cc3)N2)c1O ZINC000020764176 568643066 /nfs/dbraw/zinc/64/30/66/568643066.db2.gz RAKGBKFUGGQGCQ-ZJSXRUAMSA-N 0 0 424.903 5.806 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(F)cc3)N2)c1O ZINC000020764180 568643012 /nfs/dbraw/zinc/64/30/12/568643012.db2.gz RAKGBKFUGGQGCQ-URXFXBBRSA-N 0 0 424.903 5.806 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(F)cc3)N2)c1O ZINC000020764184 568642962 /nfs/dbraw/zinc/64/29/62/568642962.db2.gz RAKGBKFUGGQGCQ-QPPBQGQZSA-N 0 0 424.903 5.806 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccccc3F)N2)c1O ZINC000020764329 568643015 /nfs/dbraw/zinc/64/30/15/568643015.db2.gz UKABBQGHTWZMPB-XUZZJYLKSA-N 0 0 424.903 5.806 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccccc3F)N2)c1O ZINC000020764333 568642952 /nfs/dbraw/zinc/64/29/52/568642952.db2.gz UKABBQGHTWZMPB-ZJSXRUAMSA-N 0 0 424.903 5.806 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccccc3F)N2)c1O ZINC000020764337 568642995 /nfs/dbraw/zinc/64/29/95/568642995.db2.gz UKABBQGHTWZMPB-URXFXBBRSA-N 0 0 424.903 5.806 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccccc3F)N2)c1O ZINC000020764341 568642990 /nfs/dbraw/zinc/64/29/90/568642990.db2.gz UKABBQGHTWZMPB-QPPBQGQZSA-N 0 0 424.903 5.806 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccccc3F)N2)c1O ZINC000020764369 568643030 /nfs/dbraw/zinc/64/30/30/568643030.db2.gz HKORHKPFAIKETH-WIOPSUGQSA-N 0 0 420.484 5.161 50 10 HKCARN CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccccc3F)N2)c1O ZINC000020764373 568643023 /nfs/dbraw/zinc/64/30/23/568643023.db2.gz HKORHKPFAIKETH-RCZVLFRGSA-N 0 0 420.484 5.161 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccccc3F)N2)c1O ZINC000020764377 568642936 /nfs/dbraw/zinc/64/29/36/568642936.db2.gz HKORHKPFAIKETH-DHLKQENFSA-N 0 0 420.484 5.161 50 10 HKCARN CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccccc3F)N2)c1O ZINC000020764381 568642973 /nfs/dbraw/zinc/64/29/73/568642973.db2.gz HKORHKPFAIKETH-RDGATRHJSA-N 0 0 420.484 5.161 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3ccccc3F)N2)c1O ZINC000020764401 568642908 /nfs/dbraw/zinc/64/29/08/568642908.db2.gz JHFPSOQHSTXSGR-JYFHCDHNSA-N 0 0 418.512 5.715 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3ccccc3F)N2)c1O ZINC000020764405 568642911 /nfs/dbraw/zinc/64/29/11/568642911.db2.gz JHFPSOQHSTXSGR-ZEQKJWHPSA-N 0 0 418.512 5.715 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@H](c3ccccc3F)N2)c1O ZINC000020764410 568642993 /nfs/dbraw/zinc/64/29/93/568642993.db2.gz JHFPSOQHSTXSGR-OZXSUGGESA-N 0 0 418.512 5.715 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@H](c3ccccc3F)N2)c1O ZINC000020764414 568642976 /nfs/dbraw/zinc/64/29/76/568642976.db2.gz JHFPSOQHSTXSGR-BVAGGSTKSA-N 0 0 418.512 5.715 50 10 HKCARN COc1ccc(C2=N[C@@H](c3ccccc3F)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764545 568642954 /nfs/dbraw/zinc/64/29/54/568642954.db2.gz KFXUAGFVRDWBHE-FYYLOGMGSA-N 0 0 410.876 5.416 50 10 HKCARN COc1ccc(C2=N[C@H](c3ccccc3F)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764549 568642985 /nfs/dbraw/zinc/64/29/85/568642985.db2.gz KFXUAGFVRDWBHE-GGAORHGYSA-N 0 0 410.876 5.416 50 10 HKCARN COc1ccc(C2=N[C@@H](c3ccccc3F)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764553 568642913 /nfs/dbraw/zinc/64/29/13/568642913.db2.gz KFXUAGFVRDWBHE-JTHBVZDNSA-N 0 0 410.876 5.416 50 10 HKCARN COc1ccc(C2=N[C@H](c3ccccc3F)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764556 568642958 /nfs/dbraw/zinc/64/29/58/568642958.db2.gz KFXUAGFVRDWBHE-GMAHTHKFSA-N 0 0 410.876 5.416 50 10 HKCARN CCOc1ccc(C2=N[C@@H](c3ccccc3F)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764636 568642964 /nfs/dbraw/zinc/64/29/64/568642964.db2.gz QYYUDNNKBVTBBK-ISKFKSNPSA-N 0 0 424.903 5.806 50 10 HKCARN CCOc1ccc(C2=N[C@H](c3ccccc3F)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764640 568643046 /nfs/dbraw/zinc/64/30/46/568643046.db2.gz QYYUDNNKBVTBBK-VWNXMTODSA-N 0 0 424.903 5.806 50 10 HKCARN CCOc1ccc(C2=N[C@@H](c3ccccc3F)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764644 568642924 /nfs/dbraw/zinc/64/29/24/568642924.db2.gz QYYUDNNKBVTBBK-LADGPHEKSA-N 0 0 424.903 5.806 50 10 HKCARN CCOc1ccc(C2=N[C@H](c3ccccc3F)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764648 568643051 /nfs/dbraw/zinc/64/30/51/568643051.db2.gz QYYUDNNKBVTBBK-UPVQGACJSA-N 0 0 424.903 5.806 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@@H](c3ccccc3F)N2)c1O ZINC000020764656 568643061 /nfs/dbraw/zinc/64/30/61/568643061.db2.gz ONSARHIYDRMGNN-WIOPSUGQSA-N 0 0 404.485 5.461 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=N[C@@H](c3ccccc3F)N2)c1O ZINC000020764660 568642918 /nfs/dbraw/zinc/64/29/18/568642918.db2.gz ONSARHIYDRMGNN-RCZVLFRGSA-N 0 0 404.485 5.461 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@H](c3ccccc3F)N2)c1O ZINC000020764664 568643026 /nfs/dbraw/zinc/64/30/26/568643026.db2.gz ONSARHIYDRMGNN-DHLKQENFSA-N 0 0 404.485 5.461 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=N[C@H](c3ccccc3F)N2)c1O ZINC000020764668 568643062 /nfs/dbraw/zinc/64/30/62/568643062.db2.gz ONSARHIYDRMGNN-RDGATRHJSA-N 0 0 404.485 5.461 50 10 HKCARN CCc1ccc(C2=N[C@@H](c3ccccc3F)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764792 568643005 /nfs/dbraw/zinc/64/30/05/568643005.db2.gz MBOOVQLMKIVTJS-ISKFKSNPSA-N 0 0 408.904 5.970 50 10 HKCARN CCc1ccc(C2=N[C@H](c3ccccc3F)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764796 568642928 /nfs/dbraw/zinc/64/29/28/568642928.db2.gz MBOOVQLMKIVTJS-VWNXMTODSA-N 0 0 408.904 5.970 50 10 HKCARN CCc1ccc(C2=N[C@@H](c3ccccc3F)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764800 568643055 /nfs/dbraw/zinc/64/30/55/568643055.db2.gz MBOOVQLMKIVTJS-LADGPHEKSA-N 0 0 408.904 5.970 50 10 HKCARN CCc1ccc(C2=N[C@H](c3ccccc3F)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000020764804 568642969 /nfs/dbraw/zinc/64/29/69/568642969.db2.gz MBOOVQLMKIVTJS-UPVQGACJSA-N 0 0 408.904 5.970 50 10 HKCARN COc1ccc(C2=N[C@@H](c3c(F)cccc3Cl)N[C@@H](c3ccccc3O)C2)cc1 ZINC000020765053 568642945 /nfs/dbraw/zinc/64/29/45/568642945.db2.gz PTHTVBWAAXPKKT-NFBKMPQASA-N 0 0 410.876 5.416 50 10 HKCARN COc1ccc(C2=N[C@H](c3c(F)cccc3Cl)N[C@@H](c3ccccc3O)C2)cc1 ZINC000020765057 568642900 /nfs/dbraw/zinc/64/29/00/568642900.db2.gz PTHTVBWAAXPKKT-OFNKIYASSA-N 0 0 410.876 5.416 50 10 HKCARN COc1ccc(C2=N[C@@H](c3c(F)cccc3Cl)N[C@H](c3ccccc3O)C2)cc1 ZINC000020765061 568642920 /nfs/dbraw/zinc/64/29/20/568642920.db2.gz PTHTVBWAAXPKKT-NZQKXSOJSA-N 0 0 410.876 5.416 50 10 HKCARN COc1ccc(C2=N[C@H](c3c(F)cccc3Cl)N[C@H](c3ccccc3O)C2)cc1 ZINC000020765065 568643343 /nfs/dbraw/zinc/64/33/43/568643343.db2.gz PTHTVBWAAXPKKT-REWPJTCUSA-N 0 0 410.876 5.416 50 10 HKCARN COc1ccc(OC)c(NC(=O)c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)c1 ZINC000020816151 558416495 /nfs/dbraw/zinc/41/64/95/558416495.db2.gz BMHHGUGTIKAOSU-UHFFFAOYSA-N 0 0 414.889 5.026 50 10 HKCARN CCOCCCNc1cc(N2CCC(C)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000020857872 535551582 /nfs/dbraw/zinc/55/15/82/535551582.db2.gz VZFXYUYEJZTTND-UHFFFAOYSA-N 0 0 419.525 5.114 50 10 HKCARN CCOCCCNc1cc(N2CCC[C@@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000020857880 535552034 /nfs/dbraw/zinc/55/20/34/535552034.db2.gz XJXLUWMLJJCQTE-MRXNPFEDSA-N 0 0 419.525 5.114 50 10 HKCARN CCOCCCNc1cc(N2CCC[C@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000020857884 568645657 /nfs/dbraw/zinc/64/56/57/568645657.db2.gz XJXLUWMLJJCQTE-INIZCTEOSA-N 0 0 419.525 5.114 50 10 HKCARN CCOCCCNc1cc(N2CCCCCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000020857893 568645647 /nfs/dbraw/zinc/64/56/47/568645647.db2.gz IFRVFWVIXRQBNH-UHFFFAOYSA-N 0 0 419.525 5.258 50 10 HKCARN CN(Cc1ccccc1)c1cc(N2CCCCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000020857916 568645721 /nfs/dbraw/zinc/64/57/21/568645721.db2.gz UZEKBHBMLKMJJT-UHFFFAOYSA-N 0 0 423.516 5.666 50 10 HKCARN O=C(Nc1ccc(F)cc1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000020902487 568650392 /nfs/dbraw/zinc/65/03/92/568650392.db2.gz GPHRERIUQJFKSI-UHFFFAOYSA-N 0 0 424.519 6.805 50 10 HKCARN CC(C)CCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000020902503 568650441 /nfs/dbraw/zinc/65/04/41/568650441.db2.gz NWTCCTXOEIDYOZ-UHFFFAOYSA-N 0 0 400.566 6.189 50 10 HKCARN O=C(NC1CCCCC1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000020902547 568650313 /nfs/dbraw/zinc/65/03/13/568650313.db2.gz CZTZMAHRNLGQHS-UHFFFAOYSA-N 0 0 412.577 6.476 50 10 HKCARN Cc1cc(CNC(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C)cc1 ZINC000020943380 568653158 /nfs/dbraw/zinc/65/31/58/568653158.db2.gz CQBYKAWVTQIBIC-UHFFFAOYSA-N 0 0 401.432 5.743 50 10 HKCARN Cc1cc(CNC(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000020943385 568653154 /nfs/dbraw/zinc/65/31/54/568653154.db2.gz AKLCMLGNWDYFIA-UHFFFAOYSA-N 0 0 421.850 6.088 50 10 HKCARN COc1ccc(-n2c(C)cc(CNC(=O)Nc3ccccc3C(F)(F)F)c2C)cc1 ZINC000020943389 568653120 /nfs/dbraw/zinc/65/31/20/568653120.db2.gz CGDOJECGAUYZHL-UHFFFAOYSA-N 0 0 417.431 5.443 50 10 HKCARN COc1ccc(-n2c(C)cc(CNC(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000020943393 568653128 /nfs/dbraw/zinc/65/31/28/568653128.db2.gz MWOJNGIMPYJSOS-UHFFFAOYSA-N 0 0 417.431 5.443 50 10 HKCARN Cc1cc(CNC(=O)Nc2ccccc2C(F)(F)F)c(C)n1-c1ccc(F)cc1 ZINC000020943406 568653151 /nfs/dbraw/zinc/65/31/51/568653151.db2.gz HQCPDICEQMUWCE-UHFFFAOYSA-N 0 0 405.395 5.574 50 10 HKCARN Cc1cc(CNC(=O)Nc2ccccc2C(F)(F)F)c(C)n1-c1cccc(C)c1 ZINC000020943410 568653216 /nfs/dbraw/zinc/65/32/16/568653216.db2.gz PRTIHOBLBDQIQT-UHFFFAOYSA-N 0 0 401.432 5.743 50 10 HKCARN Cc1cc(CNC(=O)Nc2ccccc2C(F)(F)F)c(C)n1-c1cccc(Cl)c1 ZINC000020943431 568653125 /nfs/dbraw/zinc/65/31/25/568653125.db2.gz RFTHEDKEFZNGNV-UHFFFAOYSA-N 0 0 421.850 6.088 50 10 HKCARN COc1ccc(Cl)cc1NC(=O)NCc1cc(C)n(-c2ccccc2OC)c1C ZINC000020943439 568653207 /nfs/dbraw/zinc/65/32/07/568653207.db2.gz NVBWCHZBXMGUEH-UHFFFAOYSA-N 0 0 413.905 5.086 50 10 HKCARN COc1ccccc1-n1c(C)cc(CNC(=O)Nc2cccc(C(F)(F)F)c2)c1C ZINC000020943443 568653087 /nfs/dbraw/zinc/65/30/87/568653087.db2.gz GKWUWCMHDSFISH-UHFFFAOYSA-N 0 0 417.431 5.443 50 10 HKCARN Cc1ccccc1/N=N/c1ccc(NC(=O)c2cc(-c3cccs3)on2)c(C)c1 ZINC000021149582 558432413 /nfs/dbraw/zinc/43/24/13/558432413.db2.gz JHMYAKDERGGUSK-OCOZRVBESA-N 0 0 402.479 6.688 50 10 HKCARN [O-]c1c([C@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCCC2)cc(Cl)c2cccnc12 ZINC000021486947 568704153 /nfs/dbraw/zinc/70/41/53/568704153.db2.gz KZDXXHCDYIZAMN-IBGZPJMESA-N 0 0 406.835 5.798 50 10 HKCARN [O-]c1c([C@@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCCC2)cc(Cl)c2cccnc12 ZINC000021486948 568704182 /nfs/dbraw/zinc/70/41/82/568704182.db2.gz KZDXXHCDYIZAMN-LJQANCHMSA-N 0 0 406.835 5.798 50 10 HKCARN [O-]c1c([C@H](c2ccc(Cl)cc2Cl)[NH+]2CCCC2)cc(Cl)c2cccnc12 ZINC000021548844 558441429 /nfs/dbraw/zinc/44/14/29/558441429.db2.gz MOGKPFGPMXIXNU-IBGZPJMESA-N 0 0 407.728 6.086 50 10 HKCARN [O-]c1c([C@@H](c2ccc(Cl)cc2Cl)[NH+]2CCCC2)cc(Cl)c2cccnc12 ZINC000021548845 558441338 /nfs/dbraw/zinc/44/13/38/558441338.db2.gz MOGKPFGPMXIXNU-LJQANCHMSA-N 0 0 407.728 6.086 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc2ccc(C)cc2nc1N1CCCCC1 ZINC000021581182 568719985 /nfs/dbraw/zinc/71/99/85/568719985.db2.gz QUHAOQRSSOXKLW-QJOMJCCJSA-N 0 0 410.521 5.340 50 10 HKCARN C[C@H](c1ccccc1)N1COc2ccc3c(oc4c3C(=O)c3ccccc3C4=O)c2C1 ZINC000021670260 558445492 /nfs/dbraw/zinc/44/54/92/558445492.db2.gz ALJXQYRJBKNWOR-OAHLLOKOSA-N 0 0 409.441 5.121 50 10 biogenic HKCARN C[C@@H](c1ccccc1)N1COc2ccc3c(oc4c3C(=O)c3ccccc3C4=O)c2C1 ZINC000021670263 558445425 /nfs/dbraw/zinc/44/54/25/558445425.db2.gz ALJXQYRJBKNWOR-HNNXBMFYSA-N 0 0 409.441 5.121 50 10 biogenic HKCARN [O-]c1c([C@H](c2ccc(Br)cc2)[NH+]2CCCC2)cc(Cl)c2cccnc12 ZINC000021673443 558445517 /nfs/dbraw/zinc/44/55/17/558445517.db2.gz YALZROWWBROHGY-IBGZPJMESA-N 0 0 417.734 5.542 50 10 HKCARN [O-]c1c([C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)cc(Cl)c2cccnc12 ZINC000021673446 558445727 /nfs/dbraw/zinc/44/57/27/558445727.db2.gz YALZROWWBROHGY-LJQANCHMSA-N 0 0 417.734 5.542 50 10 HKCARN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)c2cccc(-c3cccs3)c2n1 ZINC000021705120 568744022 /nfs/dbraw/zinc/74/40/22/568744022.db2.gz GHONMMXPANUWPH-UHFFFAOYSA-N 0 0 401.535 5.268 50 10 HKCARN CCCOC(=O)c1ccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)cc1 ZINC000021729030 568751959 /nfs/dbraw/zinc/75/19/59/568751959.db2.gz PJZIQKWXWYGRDI-HSZRJFAPSA-N 0 0 413.477 5.104 50 10 HKCARN CCCOC(=O)c1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)cc1 ZINC000021729034 568751885 /nfs/dbraw/zinc/75/18/85/568751885.db2.gz PJZIQKWXWYGRDI-QHCPKHFHSA-N 0 0 413.477 5.104 50 10 HKCARN CCCOC(=O)c1ccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)cc1 ZINC000021729037 568751880 /nfs/dbraw/zinc/75/18/80/568751880.db2.gz MMZPFGHCJRHRIF-QFIPXVFZSA-N 0 0 413.477 5.104 50 10 HKCARN CCCOC(=O)c1ccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)cc1 ZINC000021729041 568751825 /nfs/dbraw/zinc/75/18/25/568751825.db2.gz MMZPFGHCJRHRIF-JOCHJYFZSA-N 0 0 413.477 5.104 50 10 HKCARN CN(C)c1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2)cc1 ZINC000021891637 568759407 /nfs/dbraw/zinc/75/94/07/568759407.db2.gz SJKLQTZRJDZXSV-SANMLTNESA-N 0 0 422.532 5.680 50 10 HKCARN CN(C)c1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2)cc1 ZINC000021891640 568759416 /nfs/dbraw/zinc/75/94/16/568759416.db2.gz SJKLQTZRJDZXSV-AREMUKBSSA-N 0 0 422.532 5.680 50 10 HKCARN CN(C)c1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NC2CCCC2)cc1 ZINC000021891890 568759404 /nfs/dbraw/zinc/75/94/04/568759404.db2.gz FDWLQTMKEKLCEC-VWLOTQADSA-N 0 0 414.553 5.101 50 10 HKCARN CN(C)c1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NC2CCCC2)cc1 ZINC000021891894 568759411 /nfs/dbraw/zinc/75/94/11/568759411.db2.gz FDWLQTMKEKLCEC-RUZDIDTESA-N 0 0 414.553 5.101 50 10 HKCARN CCN(CC)c1ccc(CNC(=O)c2cc(-c3ccccn3)nc3ccccc32)cc1 ZINC000021934294 568761858 /nfs/dbraw/zinc/76/18/58/568761858.db2.gz QQEVHQLXQCYDEI-UHFFFAOYSA-N 0 0 410.521 5.073 50 10 HKCARN COc1ccc(-n2c(C)cc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c2C)cc1 ZINC000022006926 558457568 /nfs/dbraw/zinc/45/75/68/558457568.db2.gz UZXAWSGIQPMHRO-UHFFFAOYSA-N 0 0 414.889 5.026 50 10 HKCARN COc1ccc(-n2c(C)cc(C(=O)Nc3cc(OC)c(Cl)cc3OC)c2C)cc1 ZINC000022007083 558457495 /nfs/dbraw/zinc/45/74/95/558457495.db2.gz UROZQFKFCUGNTN-UHFFFAOYSA-N 0 0 414.889 5.026 50 10 HKCARN COCCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000022109481 558463634 /nfs/dbraw/zinc/46/36/34/558463634.db2.gz RYKDAXVLFIVFEL-OQLLNIDSSA-N 0 0 414.335 5.101 50 10 HKCARN O=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1Cc1ccccc1 ZINC000022147721 558464619 /nfs/dbraw/zinc/46/46/19/558464619.db2.gz PSFHZPBXYLEBIS-XDHOZWIPSA-N 0 0 411.935 6.001 50 10 HKCARN Cc1ccc(C)c(OCCn2cc(/C=C3\SC(=S)N(C)C3=O)c3ccccc32)c1 ZINC000022228864 558468134 /nfs/dbraw/zinc/46/81/34/558468134.db2.gz PSHDSLKRESPOCJ-BKUYFWCQSA-N 0 0 422.575 5.168 50 10 HKCARN CC[C@@H](C)c1ccccc1OCCOc1ccccc1C=C1SC(=S)NC1=O ZINC000022228939 558468194 /nfs/dbraw/zinc/46/81/94/558468194.db2.gz ASLFECDDMLBLEM-KWPCUBQOSA-N 0 0 413.564 5.147 50 10 HKCARN CC[C@H](C)c1ccccc1OCCOc1ccccc1C=C1SC(=S)NC1=O ZINC000022228943 558468105 /nfs/dbraw/zinc/46/81/05/558468105.db2.gz ASLFECDDMLBLEM-CPOQMQJTSA-N 0 0 413.564 5.147 50 10 HKCARN O=C1NC(=S)S/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022228959 558468174 /nfs/dbraw/zinc/46/81/74/558468174.db2.gz BOOJSUDALYWVFT-NSIKDUERSA-N 0 0 414.310 5.200 50 10 HKCARN CCN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)SC1=S ZINC000022242059 558471880 /nfs/dbraw/zinc/47/18/80/558471880.db2.gz CDKZVYFSPBMGNY-LICLKQGHSA-N 0 0 424.374 5.794 50 10 HKCARN Cc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1 ZINC000022309884 558477466 /nfs/dbraw/zinc/47/74/66/558477466.db2.gz DKBDNCVMCSDIGK-MOSHPQCFSA-N 0 0 408.523 5.639 50 10 HKCARN Cc1ccccc1N1C(=O)/C(=C/C=C(\Br)c2ccccc2)SC1=S ZINC000022309957 558477479 /nfs/dbraw/zinc/47/74/79/558477479.db2.gz BDHRTZQLODECCK-OZFCMSLCSA-N 0 0 416.365 5.680 50 10 HKCARN Cc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)n1-c1ccccc1C ZINC000022310151 558477409 /nfs/dbraw/zinc/47/74/09/558477409.db2.gz AAKCOGXPMBHTGT-HMAPJEAMSA-N 0 0 418.587 5.804 50 10 HKCARN COc1ccccc1-n1c(C)cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1C ZINC000022310305 558477388 /nfs/dbraw/zinc/47/73/88/558477388.db2.gz UUINYRIJRDVHDH-STZFKDTASA-N 0 0 420.559 5.509 50 10 HKCARN Cc1ccccc1COc1cccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1 ZINC000022497093 558997297 /nfs/dbraw/zinc/99/72/97/558997297.db2.gz JDYHHOFSQCHQMP-BKUYFWCQSA-N 0 0 421.543 5.568 50 10 HKCARN Cc1cc(C(=O)CSc2nnc(-c3cccs3)o2)c(C)n1-c1ccc(C)cc1 ZINC000022709489 558506129 /nfs/dbraw/zinc/50/61/29/558506129.db2.gz BRANEDUQKMCZLH-UHFFFAOYSA-N 0 0 409.536 5.489 50 10 HKCARN O=C(Nc1ccc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000022781322 558779547 /nfs/dbraw/zinc/77/95/47/558779547.db2.gz NBXJVDLZLQGMNS-UHFFFAOYSA-N 0 0 418.452 5.458 50 10 HKCARN CCCCC(=O)C[C@@H](c1ccccc1)C1(Br)C(=O)c2ccccc2C1=O ZINC000022781424 568499490 /nfs/dbraw/zinc/49/94/90/568499490.db2.gz USXGJGPXUGYVJB-IBGZPJMESA-N 0 0 413.311 5.133 50 10 HKCARN CCCCC(=O)C[C@H](c1ccccc1)C1(Br)C(=O)c2ccccc2C1=O ZINC000022781431 568499453 /nfs/dbraw/zinc/49/94/53/568499453.db2.gz USXGJGPXUGYVJB-LJQANCHMSA-N 0 0 413.311 5.133 50 10 HKCARN COc1ccc(N(Cc2ccc(C(C)C)cc2)Cc2cc(=O)n3ccccc3n2)cc1 ZINC000023015090 558530338 /nfs/dbraw/zinc/53/03/38/558530338.db2.gz AOORFJXLSBORBI-UHFFFAOYSA-N 0 0 413.521 5.033 50 10 HKCARN Cc1ccc(-c2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)o2)cc1Cl ZINC000023115457 559012916 /nfs/dbraw/zinc/01/29/16/559012916.db2.gz GNRBLISCUBZYDC-UHFFFAOYSA-N 0 0 410.970 5.402 50 10 HKCARN Cn1c2ccccc2c([C@@H](Nc2ccccn2)c2ccccc2O)c1-c1ccccc1 ZINC000023203369 527108858 /nfs/dbraw/zinc/10/88/58/527108858.db2.gz RJORGMZQWYTEET-SANMLTNESA-N 0 0 405.501 6.147 50 10 HKCARN Cn1c2ccccc2c([C@H](Nc2ccccn2)c2ccccc2O)c1-c1ccccc1 ZINC000023203372 527110337 /nfs/dbraw/zinc/11/03/37/527110337.db2.gz RJORGMZQWYTEET-AREMUKBSSA-N 0 0 405.501 6.147 50 10 HKCARN COc1ccc(-n2c(CCC(=O)NCC(C)C)ccc2-c2ccc(Cl)cc2)cc1 ZINC000023323437 559146829 /nfs/dbraw/zinc/14/68/29/559146829.db2.gz BLARBPPQKZNFAD-UHFFFAOYSA-N 0 0 410.945 5.511 50 10 HKCARN COc1ccc(-n2c(CCC(=O)NCC3CC3)ccc2-c2ccc(Cl)cc2)cc1 ZINC000023324576 559149676 /nfs/dbraw/zinc/14/96/76/559149676.db2.gz SINSZOIPMRVBHP-UHFFFAOYSA-N 0 0 408.929 5.265 50 10 HKCARN COc1ccc(-n2c(CCC(=O)NC3CCC3)ccc2-c2ccc(Cl)cc2)cc1 ZINC000023325523 559151702 /nfs/dbraw/zinc/15/17/02/559151702.db2.gz MVTALFWOKRVSKM-UHFFFAOYSA-N 0 0 408.929 5.408 50 10 HKCARN CCCNC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(SC)cc1 ZINC000023325889 559153355 /nfs/dbraw/zinc/15/33/55/559153355.db2.gz DDGCMMZSCJVICR-UHFFFAOYSA-N 0 0 408.567 5.334 50 10 HKCARN COc1ccc(-n2c(CCC(=O)N3CCCC3)ccc2-c2ccc(Cl)cc2)cc1 ZINC000023328006 559155722 /nfs/dbraw/zinc/15/57/22/559155722.db2.gz IOBSYSOVLIODAQ-UHFFFAOYSA-N 0 0 408.929 5.361 50 10 HKCARN CCCN(CC)C(=O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(OC)cc1 ZINC000023331560 559170404 /nfs/dbraw/zinc/17/04/04/559170404.db2.gz GHYWZKQVYDMFPJ-UHFFFAOYSA-N 0 0 424.972 5.997 50 10 HKCARN COc1ccc(-c2ccc(CCC(=O)NC3CCC3)n2-c2ccc(SC)cc2)cc1 ZINC000023332648 559171435 /nfs/dbraw/zinc/17/14/35/559171435.db2.gz QDUCOZWLWUUFPC-UHFFFAOYSA-N 0 0 420.578 5.476 50 10 HKCARN COc1ccc(-c2ccc(CCC(=O)N3CCCC3)n2-c2ccc(SC)cc2)cc1 ZINC000023333818 559172157 /nfs/dbraw/zinc/17/21/57/559172157.db2.gz SUNRYGKEBYBBRJ-UHFFFAOYSA-N 0 0 420.578 5.430 50 10 HKCARN Cc1cc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c(C)n1-c1ccccc1 ZINC000024028211 558585175 /nfs/dbraw/zinc/58/51/75/558585175.db2.gz PVLJDKLDPYZTAR-UHFFFAOYSA-N 0 0 415.518 5.660 50 10 HKCARN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Nc2cccc3ccccc32)cc1 ZINC000024768348 558611708 /nfs/dbraw/zinc/61/17/08/558611708.db2.gz GKZIAAVRYZKHJR-QFIPXVFZSA-N 0 0 403.526 5.119 50 10 HKCARN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Nc2cccc3ccccc32)cc1 ZINC000024768356 558611683 /nfs/dbraw/zinc/61/16/83/558611683.db2.gz GKZIAAVRYZKHJR-JOCHJYFZSA-N 0 0 403.526 5.119 50 10 HKCARN COc1cc(OC)c(NC(=O)c2cc(C)n(-c3ccccc3F)c2C)cc1Cl ZINC000025465456 558641942 /nfs/dbraw/zinc/64/19/42/558641942.db2.gz OKJROJUFPSRLPR-UHFFFAOYSA-N 0 0 402.853 5.156 50 10 HKCARN COc1cc(NC(=O)c2cc(C)n(-c3ccccc3F)c2C)c(OC)cc1Cl ZINC000025465680 568771897 /nfs/dbraw/zinc/77/18/97/568771897.db2.gz FJPAQRJURCEYLY-UHFFFAOYSA-N 0 0 402.853 5.156 50 10 HKCARN Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccco3)=NN21 ZINC000025559782 558643913 /nfs/dbraw/zinc/64/39/13/558643913.db2.gz IUKUBAILIDRNDQ-JXFKEZNVSA-N 0 0 401.249 5.534 50 10 HKCARN Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccco3)=NN21 ZINC000025559786 558643831 /nfs/dbraw/zinc/64/38/31/558643831.db2.gz IUKUBAILIDRNDQ-UZLBHIALSA-N 0 0 401.249 5.534 50 10 HKCARN Cc1ccc(N2C(=O)[C@H](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1 ZINC000025575795 558644343 /nfs/dbraw/zinc/64/43/43/558644343.db2.gz OKJWXHUUALNHTG-IBGZPJMESA-N 0 0 424.503 5.139 50 10 HKCARN Cc1ccc(N2C(=O)[C@@H](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1 ZINC000025575801 558644285 /nfs/dbraw/zinc/64/42/85/558644285.db2.gz OKJWXHUUALNHTG-LJQANCHMSA-N 0 0 424.503 5.139 50 10 HKCARN CCOc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc(N(C)C)cc1)O2 ZINC000025582995 558644759 /nfs/dbraw/zinc/64/47/59/558644759.db2.gz HEFQRGCNDQPLNT-AOYPEHQESA-N 0 0 413.521 5.394 50 10 HKCARN Cc1cc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c(C)n1-c1ccccc1F ZINC000025613269 558645972 /nfs/dbraw/zinc/64/59/72/558645972.db2.gz ZLVUYWGPFMJYEG-UHFFFAOYSA-N 0 0 414.484 5.039 50 10 HKCARN Cc1ccc(NC=CC=CC=C2SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000025759529 558649008 /nfs/dbraw/zinc/64/90/08/558649008.db2.gz IRHGBISZIHBFNA-QJHQSCACSA-N 0 0 406.576 5.464 50 10 HKCARN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)C2=N)S1 ZINC000026593434 569041273 /nfs/dbraw/zinc/04/12/73/569041273.db2.gz KOOJNIQRSIDFKG-KBFOAYOGSA-N 0 0 419.293 5.283 50 10 HKCARN O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1Cc1ccccc1 ZINC000026686713 558664366 /nfs/dbraw/zinc/66/43/66/558664366.db2.gz DGOZGMKWTQDTSZ-XDHOZWIPSA-N 0 0 422.487 5.256 50 10 HKCARN O=C1N=C(N2CCCCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000026688639 558664372 /nfs/dbraw/zinc/66/43/72/558664372.db2.gz AWHXIYXUQJUDBK-RGEXLXHISA-N 0 0 420.563 5.057 50 10 HKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2oc3cc(O)ccc3c2Cl)SC1=S ZINC000026779596 558665229 /nfs/dbraw/zinc/66/52/29/558665229.db2.gz BGJQGOFADUKWBU-MTUBTWAWSA-N 0 0 415.923 5.754 50 10 HKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2oc3cc(O)ccc3c2Cl)SC1=S ZINC000026779597 558665168 /nfs/dbraw/zinc/66/51/68/558665168.db2.gz BGJQGOFADUKWBU-VBYYMIJXSA-N 0 0 415.923 5.754 50 10 HKCARN COCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S ZINC000026962666 569061605 /nfs/dbraw/zinc/06/16/05/569061605.db2.gz IRRVPBUNURYWIF-DHDCSXOGSA-N 0 0 414.335 5.101 50 10 HKCARN O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)SC(=S)N1C1CCCCC1 ZINC000026965997 569061637 /nfs/dbraw/zinc/06/16/37/569061637.db2.gz GMSJQYJYYCTULF-PDGQHHTCSA-N 0 0 403.956 6.134 50 10 HKCARN Nc1c(NC(=O)OCc2ccccc2)c(N=Nc2ccccc2)nn1-c1ccccc1 ZINC000027016196 558668316 /nfs/dbraw/zinc/66/83/16/558668316.db2.gz VBUNOQUZUKVMDT-CYYJNZCTSA-N 0 0 412.453 5.619 50 10 HKCARN Cc1ccccc1/N=N/c1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000027017722 558668238 /nfs/dbraw/zinc/66/82/38/558668238.db2.gz ZZNYWYIRKYWCMT-WBBLQMNESA-N 0 0 411.549 7.668 50 10 HKCARN CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S ZINC000027018196 558668313 /nfs/dbraw/zinc/66/83/13/558668313.db2.gz PZFTVJAZJWHCHQ-MOSHPQCFSA-N 0 0 419.575 5.397 50 10 HKCARN CC(C)N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S ZINC000027062347 558669330 /nfs/dbraw/zinc/66/93/30/558669330.db2.gz XHRTUYJIGISFHW-OQLLNIDSSA-N 0 0 408.342 5.319 50 10 HKCARN O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000027229061 558671026 /nfs/dbraw/zinc/67/10/26/558671026.db2.gz SJQDWIZSAGBHJK-AUWJEWJLSA-N 0 0 417.836 5.904 50 10 HKCARN CCOc1cc(C=C2SC(Nc3ccc(Cl)cc3Cl)=NC2=O)ccc1O ZINC000027229148 558671051 /nfs/dbraw/zinc/67/10/51/558671051.db2.gz KZKUJHJRVKBLEB-LZYBPNLTSA-N 0 0 409.294 5.180 50 10 HKCARN O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000027229347 558671126 /nfs/dbraw/zinc/67/11/26/558671126.db2.gz NWMWDMKULDLWSL-VGOFMYFVSA-N 0 0 417.836 5.904 50 10 HKCARN O=C1/C(=C\c2cccnc2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000027229352 558671108 /nfs/dbraw/zinc/67/11/08/558671108.db2.gz PQUVDUWKXKGPBM-AWNIVKPZSA-N 0 0 400.834 5.160 50 10 HKCARN COc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc12 ZINC000027499742 569326004 /nfs/dbraw/zinc/32/60/04/569326004.db2.gz AOQZHRNWWYACLB-ODLFYWEKSA-N 0 0 411.935 5.908 50 10 HKCARN COC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C)o2)ccc1Cl ZINC000027501237 569326115 /nfs/dbraw/zinc/32/61/15/569326115.db2.gz GJIZECYHRGKBFW-AQTBWJFISA-N 0 0 420.852 5.193 50 10 HKCARN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000027515451 569326678 /nfs/dbraw/zinc/32/66/78/569326678.db2.gz FOLJNTIADWOFLO-SFQUDFHCSA-N 0 0 417.328 5.165 50 10 HKCARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1cccc2ccccc21 ZINC000027519432 569327842 /nfs/dbraw/zinc/32/78/42/569327842.db2.gz MCDYQSYLKQNAAC-OQKWZONESA-N 0 0 418.452 6.219 50 10 HKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000027519444 569328018 /nfs/dbraw/zinc/32/80/18/569328018.db2.gz WTLAVBYOQOIQIU-QGOAFFKASA-N 0 0 422.311 6.473 50 10 HKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000027519448 569328020 /nfs/dbraw/zinc/32/80/20/569328020.db2.gz DSQBBSWFDORXBA-QGOAFFKASA-N 0 0 422.311 6.473 50 10 HKCARN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000027519450 569328006 /nfs/dbraw/zinc/32/80/06/569328006.db2.gz IVKDJBATMIONKG-NBVRZTHBSA-N 0 0 422.311 6.473 50 10 HKCARN O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccccc1O ZINC000027519475 569328117 /nfs/dbraw/zinc/32/81/17/569328117.db2.gz CJOVWWBJTBBBSU-NBVRZTHBSA-N 0 0 418.290 5.626 50 10 HKCARN CCN1C(=O)/C(=C\C=C2/Sc3ccc(-c4ccccc4)cc3N2CC)SC1=S ZINC000027520449 569328011 /nfs/dbraw/zinc/32/80/11/569328011.db2.gz MHCSYPJEEZMWRW-JFUXKBHTSA-N 0 0 424.616 5.891 50 10 HKCARN Cc1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2c2ccccc2)c(Br)c1 ZINC000027520800 569328073 /nfs/dbraw/zinc/32/80/73/569328073.db2.gz XPIWUPFVJAKCBY-HKWRFOASSA-N 0 0 417.306 5.592 50 10 HKCARN COc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2cccc(Cl)c2C)cc1 ZINC000027521319 569328183 /nfs/dbraw/zinc/32/81/83/569328183.db2.gz MOVXNDMYBQLACU-KGENOOAVSA-N 0 0 420.871 5.631 50 10 HKCARN Cc1cc(Cl)ccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000027521818 569340062 /nfs/dbraw/zinc/34/00/62/569340062.db2.gz JFTHZJOTTDZLJE-ZHZULCJRSA-N 0 0 417.852 5.391 50 10 HKCARN O=C1/C(=C\c2nc3ccccc3[nH]2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000027533856 558674617 /nfs/dbraw/zinc/67/46/17/558674617.db2.gz KFZMKDFYKJWSSH-RIYZIHGNSA-N 0 0 406.319 5.276 50 10 HKCARN O=C1/C(=C/c2ccc(O)cc2)C(CSc2ccc(Cl)cc2)=NN1c1ccccc1 ZINC000027534725 571049508 /nfs/dbraw/zinc/04/95/08/571049508.db2.gz MSJYVCLLGDPIJO-KGENOOAVSA-N 0 0 420.921 5.624 50 10 HKCARN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000027548023 569372087 /nfs/dbraw/zinc/37/20/87/569372087.db2.gz JHFJGDAOSRURMT-HAHDFKILSA-N 0 0 403.522 5.694 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc2cc(C)ccc2nc1N1CCCCC1 ZINC000027548766 569372583 /nfs/dbraw/zinc/37/25/83/569372583.db2.gz YJHAGNKURXPNKO-QJOMJCCJSA-N 0 0 410.521 5.340 50 10 HKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(Sc4ccc(C)cc4)o3)C2=N)S1 ZINC000027549210 569372542 /nfs/dbraw/zinc/37/25/42/569372542.db2.gz BQEQMGMYNDICTA-PALNNIJKSA-N 0 0 424.551 5.549 50 10 HKCARN Cc1ccc(Sc2ccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)o2)cc1 ZINC000027549472 569372562 /nfs/dbraw/zinc/37/25/62/569372562.db2.gz KTDLRBRNXKPBRM-JTKJEDPUSA-N 0 0 424.551 5.404 50 10 HKCARN CCOc1ccc(-c2cc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)no2)cc1 ZINC000027579950 569375388 /nfs/dbraw/zinc/37/53/88/569375388.db2.gz MUCIGDZOOYTERB-CYYJNZCTSA-N 0 0 412.449 6.408 50 10 HKCARN C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4ccc(/N=N/c5ccccc5)cc4)no3)ccc2O1 ZINC000028286989 558694464 /nfs/dbraw/zinc/69/44/64/558694464.db2.gz QJJZZDZNYCBQRR-NWKGHFSSSA-N 0 0 424.460 6.333 50 10 HKCARN C[C@H]1Cc2cc(-c3cc(C(=O)Nc4ccc(/N=N/c5ccccc5)cc4)no3)ccc2O1 ZINC000028286991 558694449 /nfs/dbraw/zinc/69/44/49/558694449.db2.gz QJJZZDZNYCBQRR-AVGDDSQUSA-N 0 0 424.460 6.333 50 10 HKCARN Cc1cc(O[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)ccc1Cl ZINC000028287550 558694963 /nfs/dbraw/zinc/69/49/63/558694963.db2.gz MQYLPFDDEYBKSV-GOSISDBHSA-N 0 0 423.944 5.110 50 10 HKCARN Cc1cc(O[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)ccc1Cl ZINC000028287554 558694967 /nfs/dbraw/zinc/69/49/67/558694967.db2.gz MQYLPFDDEYBKSV-SFHVURJKSA-N 0 0 423.944 5.110 50 10 HKCARN Cc1cc(OCC(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)cc(C)c1Cl ZINC000028287890 558694918 /nfs/dbraw/zinc/69/49/18/558694918.db2.gz FXDZDNOFYADQPL-UHFFFAOYSA-N 0 0 423.944 5.030 50 10 HKCARN CCN(CC)c1ccc(CN(C(=O)COc2ccccc2Cl)c2ccccn2)cc1 ZINC000028289438 558696079 /nfs/dbraw/zinc/69/60/79/558696079.db2.gz WCGIKARQMIVIOE-UHFFFAOYSA-N 0 0 423.944 5.193 50 10 HKCARN CCN(CC)c1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccn2)cc1 ZINC000028290668 558696901 /nfs/dbraw/zinc/69/69/01/558696901.db2.gz VVGOVNMDULVAOO-UHFFFAOYSA-N 0 0 415.581 6.072 50 10 HKCARN CCOc1ccc(C(=O)N(Cc2ccc(N(CC)CC)cc2)c2ccccn2)cc1 ZINC000028290674 558696992 /nfs/dbraw/zinc/69/69/92/558696992.db2.gz RWLJDAMUZGZOPR-UHFFFAOYSA-N 0 0 403.526 5.174 50 10 HKCARN CCN(CC)c1ccc(CN(C(=O)COc2ccc(Cl)cc2)c2ccccn2)cc1 ZINC000028290865 558697083 /nfs/dbraw/zinc/69/70/83/558697083.db2.gz CNFGETXDAHDERN-UHFFFAOYSA-N 0 0 423.944 5.193 50 10 HKCARN CCN(CC)c1ccc(CN(C(=O)COc2c(C)cccc2C)c2ccccn2)cc1 ZINC000028291158 558697389 /nfs/dbraw/zinc/69/73/89/558697389.db2.gz INDBZSHMQDMDHY-UHFFFAOYSA-N 0 0 417.553 5.157 50 10 HKCARN CCN(CC)c1ccc(CN(C(=O)COc2cccc(C)c2C)c2ccccn2)cc1 ZINC000028291160 558697385 /nfs/dbraw/zinc/69/73/85/558697385.db2.gz QCOZMWCQSODMNM-UHFFFAOYSA-N 0 0 417.553 5.157 50 10 HKCARN CCN(CC)c1ccc(CN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccn2)cc1 ZINC000028291166 558697360 /nfs/dbraw/zinc/69/73/60/558697360.db2.gz JIOHDTAJAOMJMD-UHFFFAOYSA-N 0 0 417.597 5.677 50 10 HKCARN CCN(CC)c1ccc(CN(C(=O)c2cccc3ccccc32)c2ccccn2)cc1 ZINC000028291389 558697583 /nfs/dbraw/zinc/69/75/83/558697583.db2.gz SYRUEBIFYWBZCV-UHFFFAOYSA-N 0 0 409.533 5.928 50 10 HKCARN CCOc1ccccc1C(=O)N(Cc1ccc(N(CC)CC)cc1)c1ccccn1 ZINC000028291392 558697565 /nfs/dbraw/zinc/69/75/65/558697565.db2.gz JZXKSMGXPQLSEO-UHFFFAOYSA-N 0 0 403.526 5.174 50 10 HKCARN Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)oc2cc(C)cc(C)c12 ZINC000028293814 568783962 /nfs/dbraw/zinc/78/39/62/568783962.db2.gz OCPNMJGLTIKQSF-QFIPXVFZSA-N 0 0 420.553 5.245 50 10 HKCARN Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)oc2cc(C)cc(C)c12 ZINC000028293816 568784153 /nfs/dbraw/zinc/78/41/53/568784153.db2.gz OCPNMJGLTIKQSF-JOCHJYFZSA-N 0 0 420.553 5.245 50 10 HKCARN CC(C)c1ccc(OCC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1 ZINC000028403291 558700016 /nfs/dbraw/zinc/70/00/16/558700016.db2.gz XNVOMDQXGJCRSK-UHFFFAOYSA-N 0 0 406.526 5.077 50 10 HKCARN O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)c1ccc(Cl)s1 ZINC000029071915 558709316 /nfs/dbraw/zinc/70/93/16/558709316.db2.gz MQGXJVOBBJFGHH-HNNXBMFYSA-N 0 0 418.971 5.419 50 10 HKCARN O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)c1ccc(Cl)s1 ZINC000029071921 558709336 /nfs/dbraw/zinc/70/93/36/558709336.db2.gz MQGXJVOBBJFGHH-OAHLLOKOSA-N 0 0 418.971 5.419 50 10 HKCARN COc1ccc2c(CNc3cc4oc5ccccc5c4cc3OC)cc(=O)oc2c1 ZINC000029400328 558714920 /nfs/dbraw/zinc/71/49/20/558714920.db2.gz LTERQLTUKZLODH-UHFFFAOYSA-N 0 0 401.418 5.322 50 10 HKCARN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)C2=N)S1 ZINC000030696344 519631908 /nfs/dbraw/zinc/63/19/08/519631908.db2.gz WRBJJZYAQFKOQA-JEGSZOCCSA-N 0 0 412.902 5.265 50 10 HKCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(C)c(Cl)c4)o3)C2=N)S1 ZINC000030708091 519894554 /nfs/dbraw/zinc/89/45/54/519894554.db2.gz MNADJZHNLORSKN-JEGSZOCCSA-N 0 0 412.902 5.328 50 10 HKCARN Cc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)o2)cc1Cl ZINC000030735231 558735837 /nfs/dbraw/zinc/73/58/37/558735837.db2.gz DZVZZSQTMUJWEX-BQLOJNAPSA-N 0 0 412.902 5.184 50 10 HKCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C2=N)S1 ZINC000030819137 558738643 /nfs/dbraw/zinc/73/86/43/558738643.db2.gz UWRLFEPMDATXAR-AXPJIBDUSA-N 0 0 412.902 5.409 50 10 HKCARN COc1ccc(C(=O)c2cc3c(cc2/N=N/c2ccc(Cl)cc2)OCCO3)cc1 ZINC000030822811 558739129 /nfs/dbraw/zinc/73/91/29/558739129.db2.gz YVMLDJWONBJZBX-OCOZRVBESA-N 0 0 408.841 5.766 50 10 HKCARN COc1ccc([C@@H](O)c2cc3c(cc2/N=N/c2ccc(Cl)cc2)OCCO3)cc1 ZINC000030822812 558739153 /nfs/dbraw/zinc/73/91/53/558739153.db2.gz XEGBTXNOUDRBGS-GJQPQMNHSA-N 0 0 410.857 5.617 50 10 HKCARN COc1ccc([C@H](O)c2cc3c(cc2/N=N/c2ccc(Cl)cc2)OCCO3)cc1 ZINC000030822813 558739082 /nfs/dbraw/zinc/73/90/82/558739082.db2.gz XEGBTXNOUDRBGS-ZELUPATCSA-N 0 0 410.857 5.617 50 10 HKCARN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C2=N)S1 ZINC000030904680 558744433 /nfs/dbraw/zinc/74/44/33/558744433.db2.gz SZXUXWGVXKCSIU-HUHIGAQKSA-N 0 0 412.902 5.265 50 10 HKCARN CCC1=NN2C(=NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C2=N)S1 ZINC000031842168 519849499 /nfs/dbraw/zinc/84/94/99/519849499.db2.gz YCJUTXVRWALBRT-PNZWKLPWSA-N 0 0 416.915 5.113 50 10 HKCARN CCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=N)S1 ZINC000031849103 519849536 /nfs/dbraw/zinc/84/95/36/519849536.db2.gz ISANCKYZSXDAOC-TVQOXHERSA-N 0 0 419.293 5.283 50 10 HKCARN CC1=CN2C(=NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C2=N)S1 ZINC000031982985 568938090 /nfs/dbraw/zinc/93/80/90/568938090.db2.gz AQOUQYDJNYCSGM-CLFJUMGRSA-N 0 0 401.900 5.251 50 10 aggregator HKCARN CC(C)C1=NN2C(=NC(=O)/C(=C/c3ccc(-c4ccc(F)c(Cl)c4)o3)C2=N)S1 ZINC000032109406 519559006 /nfs/dbraw/zinc/55/90/06/519559006.db2.gz JKCPEQIRJUXCGR-JGJJTGRPSA-N 0 0 416.865 5.014 50 10 HKCARN COc1cc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)cc(Br)c1OC ZINC000032189185 522929394 /nfs/dbraw/zinc/92/93/94/522929394.db2.gz OTACQGMJJDPBBO-LXIYXOSZSA-N 0 0 420.734 5.946 50 10 HKCARN O=C1/C(=C/c2cccc(F)c2)SC(=S)N1CNc1ccccc1C(F)(F)F ZINC000032191644 526941396 /nfs/dbraw/zinc/94/13/96/526941396.db2.gz KMZPXCMJCSJTRQ-DHDCSXOGSA-N 0 0 412.433 5.115 50 10 HKCARN Cc1oc2c(ccc([O-])c2C[NH2+]Cc2ccc(Cl)cc2)c(=O)c1-c1ccc(F)cc1 ZINC000032501387 526779461 /nfs/dbraw/zinc/77/94/61/526779461.db2.gz ZUIJDQCSMSDCQH-UHFFFAOYSA-N 0 0 423.871 5.556 50 10 HKCARN CN(C)c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1 ZINC000032551089 522125725 /nfs/dbraw/zinc/12/57/25/522125725.db2.gz ZEAOMIQWEMWBIR-UHFFFAOYSA-N 0 0 418.338 6.239 50 10 HKCARN CCCC[C@@H](CC)CN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S ZINC000032593973 521026439 /nfs/dbraw/zinc/02/64/39/521026439.db2.gz QRWCXZYJZDLIOH-OOWUWCJESA-N 0 0 417.571 6.503 50 10 HKCARN CCCC[C@H](CC)CN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S ZINC000032593974 521167612 /nfs/dbraw/zinc/16/76/12/521167612.db2.gz QRWCXZYJZDLIOH-NPRIEWAGSA-N 0 0 417.571 6.503 50 10 HKCARN O=C1/C(=C\c2ccc(-c3cccc(F)c3)o2)SC(=S)N1Cc1ccc(F)cc1 ZINC000032593977 526944486 /nfs/dbraw/zinc/94/44/86/526944486.db2.gz XLPGKECILQSILO-YBFXNURJSA-N 0 0 413.470 5.626 50 10 HKCARN O=C1/C(=C\c2ccc(-c3cccc(F)c3)o2)SC(=S)N1CCc1ccccc1 ZINC000032594007 526944986 /nfs/dbraw/zinc/94/49/86/526944986.db2.gz BMCMTSNWXLJZMZ-XSFVSMFZSA-N 0 0 409.507 5.530 50 10 HKCARN Cc1ccc(CN2C(=O)/C(=C\c3ccc(-c4cccc(F)c4)o3)SC2=S)cc1 ZINC000032594038 524427205 /nfs/dbraw/zinc/42/72/05/524427205.db2.gz RPKHGJLWTNLPTJ-UDWIEESQSA-N 0 0 409.507 5.796 50 10 HKCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S ZINC000032594042 526091550 /nfs/dbraw/zinc/09/15/50/526091550.db2.gz XFLPPDHQUWVTAV-ZXOFLVKFSA-N 0 0 409.507 6.048 50 10 HKCARN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S ZINC000032594043 526096905 /nfs/dbraw/zinc/09/69/05/526096905.db2.gz XFLPPDHQUWVTAV-GNUZOCDUSA-N 0 0 409.507 6.048 50 10 HKCARN N=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000032654840 526836085 /nfs/dbraw/zinc/83/60/85/526836085.db2.gz DBQXWSVUMPWJFY-JLFKZYKSSA-N 0 0 415.449 5.390 50 10 HKCARN CC(C)CCOc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 ZINC000032675378 519673403 /nfs/dbraw/zinc/67/34/03/519673403.db2.gz FOIWUJJUXGJNSI-VKZJTJHYSA-N 0 0 411.592 6.074 50 10 HKCARN O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1 ZINC000032694305 526423812 /nfs/dbraw/zinc/42/38/12/526423812.db2.gz DSZYEXRJLSOYJJ-SAPNQHFASA-N 0 0 416.593 5.148 50 10 HKCARN CC(C)c1ccccc1NC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000032716524 519846665 /nfs/dbraw/zinc/84/66/65/519846665.db2.gz XDUYHVHMUIUEIT-UHFFFAOYSA-N 0 0 403.865 5.491 50 10 HKCARN COc1ccc(CNC(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc32)cc1 ZINC000032801853 524060549 /nfs/dbraw/zinc/06/05/49/524060549.db2.gz CACYHUIOXCICKM-VWLOTQADSA-N 0 0 412.489 5.143 50 10 HKCARN COc1ccc(CNC(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc32)cc1 ZINC000032801855 524061465 /nfs/dbraw/zinc/06/14/65/524061465.db2.gz CACYHUIOXCICKM-RUZDIDTESA-N 0 0 412.489 5.143 50 10 HKCARN Cc1oc2c(ccc([O-])c2C[N@@H+]2CCC[C@@H]2c2cccs2)c(=O)c1-c1ccccc1 ZINC000032855936 526779530 /nfs/dbraw/zinc/77/95/30/526779530.db2.gz TVOOHLIKFMUKMQ-HXUWFJFHSA-N 0 0 417.530 5.873 50 10 HKCARN Cc1oc2c(ccc([O-])c2C[N@@H+]2CCC[C@H]2c2cccs2)c(=O)c1-c1ccccc1 ZINC000032855937 526779152 /nfs/dbraw/zinc/77/91/52/526779152.db2.gz TVOOHLIKFMUKMQ-FQEVSTJZSA-N 0 0 417.530 5.873 50 10 HKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc4ccccc4c3)C2=N)S1 ZINC000032964118 519894608 /nfs/dbraw/zinc/89/46/08/519894608.db2.gz HZHAZMCNVLHOPF-VKXGLNTFSA-N 0 0 413.506 5.050 50 10 HKCARN CCCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(C(C)C)cc3)C2=N)S1 ZINC000032964202 519917324 /nfs/dbraw/zinc/91/73/24/519917324.db2.gz JOGKUJPGYJMYOV-VKXGLNTFSA-N 0 0 419.554 5.410 50 10 HKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(C)cc3C)C2=N)S1 ZINC000032964205 519947483 /nfs/dbraw/zinc/94/74/83/519947483.db2.gz RDOKYKFZFITETM-UQIYEGRLSA-N 0 0 419.554 5.294 50 10 HKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3c(C)cccc3C)C2=N)S1 ZINC000032964208 519947330 /nfs/dbraw/zinc/94/73/30/519947330.db2.gz QOCOCMKIRIRBKR-UQIYEGRLSA-N 0 0 419.554 5.294 50 10 HKCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(C)c(C)c3)C2=N)S1 ZINC000032964210 519946289 /nfs/dbraw/zinc/94/62/89/519946289.db2.gz RZSUFLJHBGBBCJ-VKXGLNTFSA-N 0 0 419.554 5.294 50 10 HKCARN O=C(c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1)N1CCCCCC1 ZINC000033031530 558854861 /nfs/dbraw/zinc/85/48/61/558854861.db2.gz ZARMDGNZSDHRTM-UHFFFAOYSA-N 0 0 412.577 6.429 50 10 HKCARN CC1CCN(C(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCCC4)cc2)CC1 ZINC000033031532 558854807 /nfs/dbraw/zinc/85/48/07/558854807.db2.gz XVCXTBUHGYKWOV-UHFFFAOYSA-N 0 0 412.577 6.285 50 10 HKCARN O=C(NC[C@@H]1CCCO1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000033031543 558854837 /nfs/dbraw/zinc/85/48/37/558854837.db2.gz PDGVXXRXLXAOQG-DEOSSOPVSA-N 0 0 414.549 5.322 50 10 HKCARN O=C(NC[C@H]1CCCO1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000033031545 558854855 /nfs/dbraw/zinc/85/48/55/558854855.db2.gz PDGVXXRXLXAOQG-XMMPIXPASA-N 0 0 414.549 5.322 50 10 HKCARN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)c2cccc(-c3ccc(F)cc3)c2n1 ZINC000033036854 558860664 /nfs/dbraw/zinc/86/06/64/558860664.db2.gz UMRTUZYWYMBPLB-UHFFFAOYSA-N 0 0 413.496 5.345 50 10 HKCARN Cc1ccc(-c2cccc3c(C(=O)NCc4ccc(N(C)C)cc4)cc(C)nc23)cc1 ZINC000033036984 525757491 /nfs/dbraw/zinc/75/74/91/525757491.db2.gz XAYRYHCAJYSNHR-UHFFFAOYSA-N 0 0 409.533 5.515 50 10 HKCARN COc1ccc(NC2=NC(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)S2)cc1 ZINC000033039430 568510798 /nfs/dbraw/zinc/51/07/98/568510798.db2.gz HLBMPAZGFPSSSW-HMAPJEAMSA-N 0 0 417.534 5.494 50 10 HKCARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\c3ccccc3N(C)C2=O)cc1 ZINC000033039523 569047901 /nfs/dbraw/zinc/04/79/01/569047901.db2.gz GLOQRJUPOIVXHG-XQNSMLJCSA-N 0 0 407.473 5.065 50 10 HKCARN COc1cccc(-c2cc3c(n2-c2ccc(C(=O)NC(C)C)cc2)CCCCC3)c1 ZINC000033114802 558876742 /nfs/dbraw/zinc/87/67/42/558876742.db2.gz INNCKBICQYHPGI-UHFFFAOYSA-N 0 0 402.538 5.560 50 10 HKCARN CCCNC(=O)c1ccc(-n2c(-c3cccc(OC)c3)cc3c2CCCCC3)cc1 ZINC000033114803 558876698 /nfs/dbraw/zinc/87/66/98/558876698.db2.gz CMBGNOJGXIKUTF-UHFFFAOYSA-N 0 0 402.538 5.562 50 10 HKCARN COc1cccc(-c2cc3c(n2-c2ccc(C(=O)NC4CC4)cc2)CCCCC3)c1 ZINC000033114805 558876747 /nfs/dbraw/zinc/87/67/47/558876747.db2.gz ZQOGHXRLENKFNF-UHFFFAOYSA-N 0 0 400.522 5.314 50 10 HKCARN O=C(c1ccc(-n2c(-c3ccc(F)cc3)cc3c2CCCCC3)cc1)N1CCCC1 ZINC000033114827 558876673 /nfs/dbraw/zinc/87/66/73/558876673.db2.gz WUVRKWUSRJPTPR-UHFFFAOYSA-N 0 0 402.513 5.788 50 10 HKCARN COCCCNC(=O)c1ccc(-n2c(-c3ccc(F)cc3)cc3c2CCCCC3)cc1 ZINC000033114833 558876690 /nfs/dbraw/zinc/87/66/90/558876690.db2.gz FFHGKQXIZCLHAJ-UHFFFAOYSA-N 0 0 420.528 5.319 50 10 HKCARN Cc1ccc(-c2cc3c(n2-c2ccc(C(=O)NCc4ccco4)cc2)CCCCC3)cc1 ZINC000033114843 558876641 /nfs/dbraw/zinc/87/66/41/558876641.db2.gz BRSIFSGILKCNOW-UHFFFAOYSA-N 0 0 424.544 6.245 50 10 HKCARN Cc1cc(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)c(C)n1-c1ccccc1F ZINC000033125809 558883578 /nfs/dbraw/zinc/88/35/78/558883578.db2.gz OFPXAVUWQYXIHE-UHFFFAOYSA-N 0 0 400.457 5.251 50 10 HKCARN CCN(CC)c1ccc(CNC(=O)c2cccc(-c3cnc4ccccc4c3)c2)cc1 ZINC000033140168 558891765 /nfs/dbraw/zinc/89/17/65/558891765.db2.gz BCNAFOVGVMHEOH-UHFFFAOYSA-N 0 0 409.533 5.678 50 10 HKCARN Cc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)n1-c1ccccc1 ZINC000033154958 526094069 /nfs/dbraw/zinc/09/40/69/526094069.db2.gz LCRDUZVJATUUOO-STZFKDTASA-N 0 0 404.560 5.496 50 10 HKCARN CC(=O)c1ccc(-c2ccc(C=C3SC(=S)N(c4ccccc4)C3=O)o2)cc1 ZINC000033286598 559043738 /nfs/dbraw/zinc/04/37/38/559043738.db2.gz SOXKWWCSRSMAHI-MOSHPQCFSA-N 0 0 405.500 5.555 50 10 HKCARN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/c1ccc(F)cc1 ZINC000033294122 559047231 /nfs/dbraw/zinc/04/72/31/559047231.db2.gz HLCRLBLOMPBESR-REZTVBANSA-N 0 0 406.240 5.010 50 10 HKCARN O=C1/C(=C/c2cc3c(cc2Cl)OCO3)SC(=S)N1c1cccc(Cl)c1 ZINC000033295080 559047395 /nfs/dbraw/zinc/04/73/95/559047395.db2.gz NDUGIKJQGRAWMI-WCSRMQSCSA-N 0 0 410.303 5.128 50 10 HKCARN O=C1/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1cccc(Cl)c1 ZINC000033316912 559055590 /nfs/dbraw/zinc/05/55/90/559055590.db2.gz CVDXMWBHGLWKGF-AUWJEWJLSA-N 0 0 411.291 5.307 50 10 HKCARN Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)c1 ZINC000033318163 558766270 /nfs/dbraw/zinc/76/62/70/558766270.db2.gz IWFOBOJCBLNLGU-XDHOZWIPSA-N 0 0 422.487 5.569 50 10 HKCARN CCc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)cc1 ZINC000033319476 558766658 /nfs/dbraw/zinc/76/66/58/558766658.db2.gz OBOHPNGETOUBPB-ZHZULCJRSA-N 0 0 419.575 5.323 50 10 HKCARN Cc1ccccc1C(=O)Nc1cccc(N2CCn3c(nc4cc(Cl)ccc43)C2)c1 ZINC000033320630 559057691 /nfs/dbraw/zinc/05/76/91/559057691.db2.gz BIISJLQEICQUPU-UHFFFAOYSA-N 0 0 416.912 5.271 50 10 HKCARN Cc1cccc(C(=O)Nc2cccc(N3CCn4c(nc5cc(Cl)ccc54)C3)c2)c1 ZINC000033320631 559057683 /nfs/dbraw/zinc/05/76/83/559057683.db2.gz JQYIDIZUHSVVJR-UHFFFAOYSA-N 0 0 416.912 5.271 50 10 HKCARN Cc1ccc(C(=O)Nc2cccc(N3CCn4c(nc5cc(Cl)ccc54)C3)c2)cc1 ZINC000033320632 559057673 /nfs/dbraw/zinc/05/76/73/559057673.db2.gz UMDCOSLFBZJQKA-UHFFFAOYSA-N 0 0 416.912 5.271 50 10 HKCARN O=C(Nc1cccc(N2CCn3c(nc4cc(Cl)ccc43)C2)c1)c1ccc(F)cc1 ZINC000033320636 559057737 /nfs/dbraw/zinc/05/77/37/559057737.db2.gz TVWFCQKLQSJCGP-UHFFFAOYSA-N 0 0 420.875 5.101 50 10 HKCARN CCOc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1 ZINC000033325997 558766817 /nfs/dbraw/zinc/76/68/17/558766817.db2.gz YZKPHTWEBAAOJD-LFIBNONCSA-N 0 0 420.353 5.254 50 10 HKCARN Cc1cccc(NC(=O)CCCN2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)c1 ZINC000033330976 559062126 /nfs/dbraw/zinc/06/21/26/559062126.db2.gz YSQOHPFAMZIPFB-MRVXSSNZSA-N 0 0 422.575 5.171 50 10 HKCARN Cc1cccc2cc(-c3noc(C(C)C)n3)c(NCc3ccc(N(C)C)cc3)nc12 ZINC000033331589 559062312 /nfs/dbraw/zinc/06/23/12/559062312.db2.gz LVXPWPXRGAJFSP-UHFFFAOYSA-N 0 0 401.514 5.395 50 10 HKCARN CCCc1nc(-c2cc3ccc(C)cc3nc2NCc2ccc(N(C)C)cc2)no1 ZINC000033331590 559062276 /nfs/dbraw/zinc/06/22/76/559062276.db2.gz ZHYCWSHSGQOJCZ-UHFFFAOYSA-N 0 0 401.514 5.224 50 10 HKCARN Cc1ccc2nc(NCc3ccc(N(C)C)cc3)c(-c3noc(C(C)C)n3)cc2c1 ZINC000033331591 559062272 /nfs/dbraw/zinc/06/22/72/559062272.db2.gz LVZUIEUQYDZPLX-UHFFFAOYSA-N 0 0 401.514 5.395 50 10 HKCARN Cc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000033332256 559063083 /nfs/dbraw/zinc/06/30/83/559063083.db2.gz LLJZJAAICNRPKR-FRYOISGKSA-N 0 0 417.321 5.178 50 10 HKCARN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCCc1ccccc1 ZINC000033333455 559063330 /nfs/dbraw/zinc/06/33/30/559063330.db2.gz ZXURRZCKJFZHBV-HAVVHWLPSA-N 0 0 412.489 5.123 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(C)cc2Br)o1 ZINC000033334233 559063106 /nfs/dbraw/zinc/06/31/06/559063106.db2.gz LSMSFMPNVDHIKC-UYRXBGFRSA-N 0 0 421.294 5.824 50 10 HKCARN COc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3C)N=C2C)cc1Br ZINC000033334249 559063076 /nfs/dbraw/zinc/06/30/76/559063076.db2.gz XKOXGOMLRVOQFF-ZROIWOOFSA-N 0 0 419.706 5.226 50 10 HKCARN CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S ZINC000033340207 568514223 /nfs/dbraw/zinc/51/42/23/568514223.db2.gz VHEDJQFNTKKAHK-XNTDXEJSSA-N 0 0 408.342 5.320 50 10 HKCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000033341788 559064878 /nfs/dbraw/zinc/06/48/78/559064878.db2.gz JJXIWAXFVWSYMY-BKUYFWCQSA-N 0 0 401.422 5.278 50 10 HKCARN O=C1N=C(Nc2ccccc2Cl)SC1=Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000033347321 559065119 /nfs/dbraw/zinc/06/51/19/559065119.db2.gz ZKHFICIRSYCUDS-WOJGMQOQSA-N 0 0 415.301 6.336 50 10 HKCARN COC(=O)[C@@]1(/N=N/c2cc(-c3ccccc3)c(O)c(-c3ccccc3)c2)CCCC1=O ZINC000033354007 559067317 /nfs/dbraw/zinc/06/73/17/559067317.db2.gz FGXYBZXULAIHKO-SAPGLNIQSA-N 0 0 414.461 5.475 50 10 HKCARN COC(=O)[C@]1(/N=N/c2cc(-c3ccccc3)c(O)c(-c3ccccc3)c2)CCCC1=O ZINC000033354012 559067363 /nfs/dbraw/zinc/06/73/63/559067363.db2.gz FGXYBZXULAIHKO-YNIWUXQGSA-N 0 0 414.461 5.475 50 10 HKCARN CCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccccc2C)C1=O ZINC000033362713 558767791 /nfs/dbraw/zinc/76/77/91/558767791.db2.gz CUUTUILDMVKXKJ-JCMHNJIXSA-N 0 0 419.571 6.343 50 10 HKCARN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000033362716 558767841 /nfs/dbraw/zinc/76/78/41/558767841.db2.gz SXOQUQXQPMBLJN-HKWRFOASSA-N 0 0 411.596 5.005 50 10 HKCARN O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000033375386 559115847 /nfs/dbraw/zinc/11/58/47/559115847.db2.gz NTPVTYNAPQPAJG-ZSOIEALJSA-N 0 0 410.745 5.508 50 10 HKCARN C[C@H]1Cc2c(cc(-c3ccc(Br)cc3)n2-c2ccc3c(c2)OCO3)C(=O)C1 ZINC000033378547 558768072 /nfs/dbraw/zinc/76/80/72/558768072.db2.gz QFBCLXDBMLGGSK-ZDUSSCGKSA-N 0 0 424.294 5.401 50 10 HKCARN CCN(CC)c1ccc(/C=C2\SC(=S)N(CNc3cccc(C)c3)C2=O)cc1 ZINC000033390818 559157421 /nfs/dbraw/zinc/15/74/21/559157421.db2.gz DKILCMCDNFBODA-ZHZULCJRSA-N 0 0 411.596 5.112 50 10 HKCARN CN(c1ccccc1)c1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000033399169 559161122 /nfs/dbraw/zinc/16/11/22/559161122.db2.gz PRMKFKGGYFKUFH-STZFKDTASA-N 0 0 420.534 5.999 50 10 HKCARN CCn1c(/C=C\c2cn(Cc3ccccc3)c3ccccc23)nc2ccccc2c1=O ZINC000033405917 559164099 /nfs/dbraw/zinc/16/40/99/559164099.db2.gz GGHOSSOPZCJVCM-MSUUIHNZSA-N 0 0 405.501 5.590 50 10 HKCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O ZINC000033414285 559167508 /nfs/dbraw/zinc/16/75/08/559167508.db2.gz VUOUYJYRMRAHGD-YAXRHUFXSA-N 0 0 416.365 5.801 50 10 HKCARN N=C1/C(=C\c2cccc3ccccc23)C(=O)N=C2SC(CCC3CCCCC3)=NN21 ZINC000033416666 559167641 /nfs/dbraw/zinc/16/76/41/559167641.db2.gz IJWXNNKWHQYBBE-NCNWTYLVSA-N 0 0 416.550 5.819 50 10 HKCARN Cc1ccc(Sc2ccc(/C=C3/C(=O)N=C4SC(C(C)C)=NN4C3=N)o2)cc1 ZINC000033417269 568514445 /nfs/dbraw/zinc/51/44/45/568514445.db2.gz IJIHKKJCGWGGKT-INIXKHHFSA-N 0 0 410.524 5.014 50 10 HKCARN O=C1N=C(c2ccccc2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000033420052 559190536 /nfs/dbraw/zinc/19/05/36/559190536.db2.gz NKMNEOYORXTMEY-WOJGMQOQSA-N 0 0 410.838 5.569 50 10 HKCARN O=C1/C(=C/c2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000033424022 559190657 /nfs/dbraw/zinc/19/06/57/559190657.db2.gz UERBWAIJJXLAQL-ZROIWOOFSA-N 0 0 410.398 5.019 50 10 HKCARN CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)c2C)cc1 ZINC000033432371 559192401 /nfs/dbraw/zinc/19/24/01/559192401.db2.gz WQBYEXBMKKTEMX-UCWFDPAESA-N 0 0 419.554 5.247 50 10 HKCARN CCCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OC ZINC000033436368 559192680 /nfs/dbraw/zinc/19/26/80/559192680.db2.gz OURSTCPLOUBCMT-YBEGLDIGSA-N 0 0 419.308 5.597 50 10 HKCARN CN(c1ccccc1)c1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000033436771 559192681 /nfs/dbraw/zinc/19/26/81/559192681.db2.gz BLWNLZCVGXIRRS-PGMHBOJBSA-N 0 0 402.544 5.860 50 10 HKCARN CC(C)(C)c1ccc(/C=C\C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000033455946 559194060 /nfs/dbraw/zinc/19/40/60/559194060.db2.gz RTKGPOBFEXBTBS-SSZFMOIBSA-N 0 0 409.485 5.411 50 10 HKCARN O=C(/C=C\c1ccc(Cl)cc1Cl)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000033456490 559194118 /nfs/dbraw/zinc/19/41/18/559194118.db2.gz GYFXEHMQYVUZHW-LUAWRHEFSA-N 0 0 422.267 5.421 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C(/C=C\c1ccc2c(c1)OCO2)c1ccc(C)cc1 ZINC000033571396 559214648 /nfs/dbraw/zinc/21/46/48/559214648.db2.gz YRHOSSYRHUPJNW-AQQMCFPLSA-N 0 0 422.484 5.613 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C(\C=C/c1ccc2c(c1)OCO2)c1ccc(C)cc1 ZINC000033571397 559214656 /nfs/dbraw/zinc/21/46/56/559214656.db2.gz YRHOSSYRHUPJNW-OUYQTAHCSA-N 0 0 422.484 5.613 50 10 HKCARN CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC1=S ZINC000033583130 568515666 /nfs/dbraw/zinc/51/56/66/568515666.db2.gz PAGZAPGKAYPHQY-UNOMPAQXSA-N 0 0 417.515 5.117 50 10 HKCARN COc1ccccc1/C=C\C(=C1\C(C)=NN(c2ccccc2)C1=O)c1ccc(C)cc1 ZINC000033623280 568515782 /nfs/dbraw/zinc/51/57/82/568515782.db2.gz IVZDVNROUSBGJQ-KYXPJFBRSA-N 0 0 408.501 5.893 50 10 HKCARN COc1ccccc1/C=C\C(=C1/C(C)=NN(c2ccccc2)C1=O)c1ccc(C)cc1 ZINC000033623282 559222983 /nfs/dbraw/zinc/22/29/83/559222983.db2.gz IVZDVNROUSBGJQ-KHANVWSSSA-N 0 0 408.501 5.893 50 10 HKCARN CC(C)c1ccc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1 ZINC000033629623 559224320 /nfs/dbraw/zinc/22/43/20/559224320.db2.gz DFMDVSRIIXRQBL-VKXGLNTFSA-N 0 0 408.571 5.790 50 10 HKCARN CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br ZINC000033633954 559224444 /nfs/dbraw/zinc/22/44/44/559224444.db2.gz GAUPIIKIGYLTQB-QGOAFFKASA-N 0 0 412.331 5.101 50 10 HKCARN CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C2=N)S1 ZINC000033671428 559227766 /nfs/dbraw/zinc/22/77/66/559227766.db2.gz QPQVTTNPGTZMQM-MPZUNYIRSA-N 0 0 419.554 5.247 50 10 HKCARN CCCN(CCC)c1ccc(/C=C2/N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1 ZINC000033682467 559228631 /nfs/dbraw/zinc/22/86/31/559228631.db2.gz BZWVIQYEHBFEQL-RGVLZGJSSA-N 0 0 418.871 5.589 50 10 HKCARN CC(C)(C)C1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000033697120 558770967 /nfs/dbraw/zinc/77/09/67/558770967.db2.gz ILNMCFQRUVBVFC-YBEGLDIGSA-N 0 0 418.280 5.734 50 10 HKCARN CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1 ZINC000033702998 559230717 /nfs/dbraw/zinc/23/07/17/559230717.db2.gz UPJHDYBFFSDAOY-NDENLUEZSA-N 0 0 413.518 5.086 50 10 HKCARN CCCCOc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3C)N=C2C)cc1OC ZINC000033706419 559230870 /nfs/dbraw/zinc/23/08/70/559230870.db2.gz AOWCJZRBTWXGLB-AQTBWJFISA-N 0 0 412.917 5.642 50 10 HKCARN O=C1/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(Cl)c1 ZINC000033724915 559236920 /nfs/dbraw/zinc/23/69/20/559236920.db2.gz APTHSSTWQJXYEY-PPFNYLEDSA-N 0 0 402.884 5.210 50 10 HKCARN COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OC ZINC000033733435 559239079 /nfs/dbraw/zinc/23/90/79/559239079.db2.gz FTQLDMVTJMBLFI-LXIYXOSZSA-N 0 0 422.269 5.571 50 10 HKCARN CCC(/C=C1\Sc2ccc(OC)cc2N1CC)=C1/SC(=S)N(CC)C1=O ZINC000033782061 558771298 /nfs/dbraw/zinc/77/12/98/558771298.db2.gz HBJHZLQRDYRFQY-BSTPEVQJSA-N 0 0 406.598 5.013 50 10 HKCARN CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3ccc(C)cc3C)C2=O)cc1 ZINC000033795716 559246712 /nfs/dbraw/zinc/24/67/12/559246712.db2.gz BMAIHVAOOMAPIP-STZFKDTASA-N 0 0 409.555 5.256 50 10 HKCARN Cc1cccc(C(=O)N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)c1 ZINC000033844387 559251568 /nfs/dbraw/zinc/25/15/68/559251568.db2.gz DUNQBXXZZRRJCW-NVNXTCNLSA-N 0 0 408.331 5.343 50 10 HKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(O[C@@H](C)c4ccccc4)cc3)C2=N)S1 ZINC000033864549 559270999 /nfs/dbraw/zinc/27/09/99/559270999.db2.gz WSEJSTGPFRWION-WYWMRODJSA-N 0 0 418.522 5.246 50 10 HKCARN CCCOc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OCC ZINC000033874444 568523801 /nfs/dbraw/zinc/52/38/01/568523801.db2.gz SSCHALCLZHLRSP-ZHZULCJRSA-N 0 0 413.564 5.276 50 10 HKCARN CCN1c2cc(Cl)ccc2S/C1=C1\SC(=S)N(c2ccccc2)C1=O ZINC000033887324 558772010 /nfs/dbraw/zinc/77/20/10/558772010.db2.gz XLRKRNRDAMJPMD-ICFOKQHNSA-N 0 0 404.969 5.506 50 10 HKCARN CCN1c2cc(Cl)ccc2S/C1=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000033920600 558772260 /nfs/dbraw/zinc/77/22/60/558772260.db2.gz FWCVLPAORZTENJ-VLGSPTGOSA-N 0 0 418.996 5.502 50 10 HKCARN 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Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)cc1 ZINC000044086151 525082924 /nfs/dbraw/zinc/08/29/24/525082924.db2.gz LURKGOPMKUYGCB-UHFFFAOYSA-N 0 0 403.507 5.231 50 10 HKCARN O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)Nc1cccc(Cl)c1 ZINC000044086153 527068124 /nfs/dbraw/zinc/06/81/24/527068124.db2.gz ANXZQKOHSJGZFR-UHFFFAOYSA-N 0 0 423.925 5.576 50 10 HKCARN O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)Nc1ccc(Cl)cc1 ZINC000044086155 527068118 /nfs/dbraw/zinc/06/81/18/527068118.db2.gz ZFAPTSQZNCVCCB-UHFFFAOYSA-N 0 0 423.925 5.576 50 10 HKCARN Cc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2Cc2ccco2)cc1 ZINC000044086191 525774913 /nfs/dbraw/zinc/77/49/13/525774913.db2.gz YJEXCWRNMHNDBR-UHFFFAOYSA-N 0 0 403.507 5.231 50 10 HKCARN Cc1ccc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2Cc2ccco2)cc1 ZINC000044086193 525081522 /nfs/dbraw/zinc/08/15/22/525081522.db2.gz NPXPOLCWADFHOW-UHFFFAOYSA-N 0 0 417.534 5.539 50 10 HKCARN Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccccc2)cc1 ZINC000044086264 525081965 /nfs/dbraw/zinc/08/19/65/525081965.db2.gz NMODBVNDTNHKGU-UHFFFAOYSA-N 0 0 413.546 5.638 50 10 HKCARN Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccccc2)n1 ZINC000044086270 526385631 /nfs/dbraw/zinc/38/56/31/526385631.db2.gz OIZSKXBWOXLKCX-UHFFFAOYSA-N 0 0 420.563 5.094 50 10 HKCARN COc1ccc(-c2cnc(SCc3ccc(F)cc3)n2Cc2ccccc2)cc1 ZINC000044086310 523151197 /nfs/dbraw/zinc/15/11/97/523151197.db2.gz WABIXQDTTIIWKE-UHFFFAOYSA-N 0 0 404.510 6.038 50 10 HKCARN Cc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2Cc2ccccc2)cc1 ZINC000044086314 525774255 /nfs/dbraw/zinc/77/42/55/525774255.db2.gz UVVSRLDHZFOSDG-UHFFFAOYSA-N 0 0 405.567 5.011 50 10 HKCARN Cc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2Cc2ccccc2)cc1 ZINC000044086318 525775041 /nfs/dbraw/zinc/77/50/41/525775041.db2.gz LSQCNEBRAXHQCJ-UHFFFAOYSA-N 0 0 413.546 5.638 50 10 HKCARN Cc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2Cc2ccccc2)cc1 ZINC000044086326 525774662 /nfs/dbraw/zinc/77/46/62/525774662.db2.gz PRUPQMWSZWMFPX-UHFFFAOYSA-N 0 0 420.563 5.094 50 10 HKCARN O=[N+]([O-])c1cccc(-c2cnc(SCc3ccc(F)cc3)n2Cc2ccccc2)c1 ZINC000044086360 527381927 /nfs/dbraw/zinc/38/19/27/527381927.db2.gz XCDVPEYEHJGGOK-UHFFFAOYSA-N 0 0 419.481 5.938 50 10 HKCARN Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(-c2ccccc2)c2cccnc12 ZINC000044827013 560897401 /nfs/dbraw/zinc/89/74/01/560897401.db2.gz IDIBQMZAZFYTMZ-QJOMJCCJSA-N 0 0 404.473 5.620 50 10 HKCARN Cc1cc(C(=O)COc2ccc(Cl)c3c2C(=O)C[C@@H]3C)c(C)n1-c1ccccn1 ZINC000048253071 568434443 /nfs/dbraw/zinc/43/44/43/568434443.db2.gz WIBMUPGLQVKWOR-ZDUSSCGKSA-N 0 0 408.885 5.094 50 10 HKCARN Cc1cc(C(=O)COc2ccc(Cl)c3c2C(=O)C[C@H]3C)c(C)n1-c1ccccn1 ZINC000048253073 568434431 /nfs/dbraw/zinc/43/44/31/568434431.db2.gz WIBMUPGLQVKWOR-CYBMUJFWSA-N 0 0 408.885 5.094 50 10 HKCARN O=C(Nc1ccc(-c2ccccc2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000048290454 568435207 /nfs/dbraw/zinc/43/52/07/568435207.db2.gz IXTAVCFQGMJRQK-QHCPKHFHSA-N 0 0 402.494 5.272 50 10 HKCARN O=C(Nc1ccc(-c2ccccc2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000048290456 568435215 /nfs/dbraw/zinc/43/52/15/568435215.db2.gz IXTAVCFQGMJRQK-HSZRJFAPSA-N 0 0 402.494 5.272 50 10 HKCARN COc1cc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc(OC)c1OC ZINC000048324614 568438383 /nfs/dbraw/zinc/43/83/83/568438383.db2.gz HHJOHRDISHENOB-UHFFFAOYSA-N 0 0 414.889 5.026 50 10 HKCARN Cc1nc(-c2cccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c2)cs1 ZINC000048326187 568438992 /nfs/dbraw/zinc/43/89/92/568438992.db2.gz WXEKZUKZOYSNFX-FQEVSTJZSA-N 0 0 423.538 5.037 50 10 HKCARN Cc1nc(-c2cccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c2)cs1 ZINC000048326188 568438999 /nfs/dbraw/zinc/43/89/99/568438999.db2.gz WXEKZUKZOYSNFX-HXUWFJFHSA-N 0 0 423.538 5.037 50 10 HKCARN Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1-c1cccc(C)c1 ZINC000048354688 568441144 /nfs/dbraw/zinc/44/11/44/568441144.db2.gz AYJFSLJYVAYUOJ-UHFFFAOYSA-N 0 0 406.555 5.181 50 10 HKCARN Oc1cccnc1N[C@H](c1ccc(Br)cc1)c1ccc2cccnc2c1O ZINC000049564998 568452214 /nfs/dbraw/zinc/45/22/14/568452214.db2.gz DHWYBHIHZZDTBZ-GOSISDBHSA-N 0 0 422.282 5.005 50 10 HKCARN Oc1cccnc1N[C@@H](c1ccc(Br)cc1)c1ccc2cccnc2c1O ZINC000049565000 568452164 /nfs/dbraw/zinc/45/21/64/568452164.db2.gz DHWYBHIHZZDTBZ-SFHVURJKSA-N 0 0 422.282 5.005 50 10 HKCARN CC1=CSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(Cl)c3)C(=N)N12 ZINC000049589735 568452950 /nfs/dbraw/zinc/45/29/50/568452950.db2.gz MOMZRWCSQPMYTR-GICBFTDPSA-N 0 0 409.898 5.086 50 10 HKCARN CC1=CSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4C)c(Cl)c3)C(=N)N12 ZINC000049589741 568453059 /nfs/dbraw/zinc/45/30/59/568453059.db2.gz HXXUXZPCTZUGTA-GMFWLFBISA-N 0 0 423.925 5.394 50 10 HKCARN CC1=CSC2=NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)c(Cl)c3)C(=N)N12 ZINC000049589743 568452963 /nfs/dbraw/zinc/45/29/63/568452963.db2.gz PVDWRNZWQXGLSZ-GMFWLFBISA-N 0 0 423.925 5.394 50 10 HKCARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1ccc(Cl)cc1C ZINC000049593194 568452408 /nfs/dbraw/zinc/45/24/08/568452408.db2.gz ZKRAQJGEOPNGAD-HYRBKGOMSA-N 0 0 410.930 5.223 50 10 HKCARN CC1=CSC2=NC(=O)/C(=C\c3ccc(SCc4ccc(Cl)cc4)o3)C(=N)N12 ZINC000049687422 568453304 /nfs/dbraw/zinc/45/33/04/568453304.db2.gz WITIWZXWMJVBPN-OKIZQULLSA-N 0 0 415.927 5.392 50 10 HKCARN CCN(CC)/C(=C\c1cccc2c1C(=O)c1ccccc1C2=O)COc1ccccc1 ZINC000049717464 568453463 /nfs/dbraw/zinc/45/34/63/568453463.db2.gz FSICVFKGBPOUHC-JZJYNLBNSA-N 0 0 411.501 5.224 50 10 HKCARN N=C1/C(=C\c2c[nH]c3ccccc23)C(=O)N=C2SC(CCC3CCCCC3)=NN21 ZINC000049723403 568453430 /nfs/dbraw/zinc/45/34/30/568453430.db2.gz RTTPILCNHQSEPO-MJEQIIAOSA-N 0 0 405.527 5.148 50 10 HKCARN CC(=O)N(c1nc(CSc2nccs2)cs1)c1c(C)cc(C)cc1Cl ZINC000052913968 568913360 /nfs/dbraw/zinc/91/33/60/568913360.db2.gz GROPYHFTCHNWMR-UHFFFAOYSA-N 0 0 409.989 5.847 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=N[C@@H](c3ccc(Cl)cc3)N2)c1O ZINC000053362841 569027446 /nfs/dbraw/zinc/02/74/46/569027446.db2.gz OFSHJLQGXOUZSR-RCZVLFRGSA-N 0 0 420.940 5.975 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@@H](c3ccc(Cl)cc3)N2)c1O ZINC000053362843 569027442 /nfs/dbraw/zinc/02/74/42/569027442.db2.gz OFSHJLQGXOUZSR-WIOPSUGQSA-N 0 0 420.940 5.975 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=N[C@H](c3ccc(Cl)cc3)N2)c1O ZINC000053362845 569027433 /nfs/dbraw/zinc/02/74/33/569027433.db2.gz OFSHJLQGXOUZSR-RDGATRHJSA-N 0 0 420.940 5.975 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@H](c3ccc(Cl)cc3)N2)c1O ZINC000053362847 569027499 /nfs/dbraw/zinc/02/74/99/569027499.db2.gz OFSHJLQGXOUZSR-DHLKQENFSA-N 0 0 420.940 5.975 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=N[C@@H](c3ccccc3OC)N2)c1O ZINC000053362877 569027453 /nfs/dbraw/zinc/02/74/53/569027453.db2.gz GXOXNABQROZQHD-ATIYNZHBSA-N 0 0 416.521 5.330 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@@H](c3ccccc3OC)N2)c1O ZINC000053362879 569027498 /nfs/dbraw/zinc/02/74/98/569027498.db2.gz GXOXNABQROZQHD-BKMJKUGQSA-N 0 0 416.521 5.330 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=N[C@H](c3ccccc3OC)N2)c1O ZINC000053362880 569027478 /nfs/dbraw/zinc/02/74/78/569027478.db2.gz GXOXNABQROZQHD-GJZUVCINSA-N 0 0 416.521 5.330 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@H](c3ccccc3OC)N2)c1O ZINC000053362882 569027434 /nfs/dbraw/zinc/02/74/34/569027434.db2.gz GXOXNABQROZQHD-NVQXNPDNSA-N 0 0 416.521 5.330 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3ccc(C)cc3)N2)c1O ZINC000053362891 569027501 /nfs/dbraw/zinc/02/75/01/569027501.db2.gz OMQXRSOYUZRBNR-ZEQKJWHPSA-N 0 0 416.521 5.330 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3ccc(C)cc3)N2)c1O ZINC000053362892 569027477 /nfs/dbraw/zinc/02/74/77/569027477.db2.gz OMQXRSOYUZRBNR-JYFHCDHNSA-N 0 0 416.521 5.330 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@H](c3ccc(C)cc3)N2)c1O ZINC000053362894 569027482 /nfs/dbraw/zinc/02/74/82/569027482.db2.gz OMQXRSOYUZRBNR-BVAGGSTKSA-N 0 0 416.521 5.330 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@H](c3ccc(C)cc3)N2)c1O ZINC000053362896 569027485 /nfs/dbraw/zinc/02/74/85/569027485.db2.gz OMQXRSOYUZRBNR-OZXSUGGESA-N 0 0 416.521 5.330 50 10 HKCARN COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3cccc(OC)c3O)C2)cc1 ZINC000053362931 569027525 /nfs/dbraw/zinc/02/75/25/569027525.db2.gz VLZXDSMODMSCEQ-ZJSXRUAMSA-N 0 0 422.912 5.285 50 10 HKCARN COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3cccc(OC)c3O)C2)cc1 ZINC000053362934 569027524 /nfs/dbraw/zinc/02/75/24/569027524.db2.gz VLZXDSMODMSCEQ-XUZZJYLKSA-N 0 0 422.912 5.285 50 10 HKCARN COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3cccc(OC)c3O)C2)cc1 ZINC000053362936 569027546 /nfs/dbraw/zinc/02/75/46/569027546.db2.gz VLZXDSMODMSCEQ-QPPBQGQZSA-N 0 0 422.912 5.285 50 10 HKCARN COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3cccc(OC)c3O)C2)cc1 ZINC000053362938 569027567 /nfs/dbraw/zinc/02/75/67/569027567.db2.gz VLZXDSMODMSCEQ-URXFXBBRSA-N 0 0 422.912 5.285 50 10 HKCARN COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3O)C2)cc1OC ZINC000053363056 569027502 /nfs/dbraw/zinc/02/75/02/569027502.db2.gz QNWYVDPTFQSGQG-HYBUGGRVSA-N 0 0 422.912 5.285 50 10 HKCARN COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3O)C2)cc1OC ZINC000053363058 569027587 /nfs/dbraw/zinc/02/75/87/569027587.db2.gz QNWYVDPTFQSGQG-GBXCKJPGSA-N 0 0 422.912 5.285 50 10 HKCARN COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3O)C2)cc1OC ZINC000053363059 569027506 /nfs/dbraw/zinc/02/75/06/569027506.db2.gz QNWYVDPTFQSGQG-YKSBVNFPSA-N 0 0 422.912 5.285 50 10 HKCARN COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3O)C2)cc1OC ZINC000053363062 569027544 /nfs/dbraw/zinc/02/75/44/569027544.db2.gz QNWYVDPTFQSGQG-RDPSFJRHSA-N 0 0 422.912 5.285 50 10 HKCARN CCOc1ccc(C2=N[C@@H](c3ccc(OC)cc3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000053363078 569027552 /nfs/dbraw/zinc/02/75/52/569027552.db2.gz QOASSDIYKPBDQY-ILBGXUMGSA-N 0 0 402.494 5.022 50 10 HKCARN CCOc1ccc(C2=N[C@@H](c3ccc(OC)cc3)N[C@H](c3ccccc3O)C2)cc1 ZINC000053363080 569027574 /nfs/dbraw/zinc/02/75/74/569027574.db2.gz QOASSDIYKPBDQY-UKILVPOCSA-N 0 0 402.494 5.022 50 10 HKCARN CCOc1ccc(C2=N[C@H](c3ccc(OC)cc3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000053363081 569027565 /nfs/dbraw/zinc/02/75/65/569027565.db2.gz QOASSDIYKPBDQY-NOZRDPDXSA-N 0 0 402.494 5.022 50 10 HKCARN CCOc1ccc(C2=N[C@H](c3ccc(OC)cc3)N[C@H](c3ccccc3O)C2)cc1 ZINC000053363083 569027533 /nfs/dbraw/zinc/02/75/33/569027533.db2.gz QOASSDIYKPBDQY-ZCYQVOJMSA-N 0 0 402.494 5.022 50 10 HKCARN CCOc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000053363084 569027558 /nfs/dbraw/zinc/02/75/58/569027558.db2.gz HIMNHFKOCICJON-ISKFKSNPSA-N 0 0 406.913 5.667 50 10 HKCARN CCOc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3O)C2)cc1 ZINC000053363086 569027510 /nfs/dbraw/zinc/02/75/10/569027510.db2.gz HIMNHFKOCICJON-LADGPHEKSA-N 0 0 406.913 5.667 50 10 HKCARN CCOc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000053363088 569027504 /nfs/dbraw/zinc/02/75/04/569027504.db2.gz HIMNHFKOCICJON-VWNXMTODSA-N 0 0 406.913 5.667 50 10 HKCARN CCOc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3O)C2)cc1 ZINC000053363090 569027548 /nfs/dbraw/zinc/02/75/48/569027548.db2.gz HIMNHFKOCICJON-UPVQGACJSA-N 0 0 406.913 5.667 50 10 HKCARN CCOc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@@H](c3ccccc3O)C2)cc1 ZINC000053363120 569027514 /nfs/dbraw/zinc/02/75/14/569027514.db2.gz LRJGRPNDSGZUHH-RCZVLFRGSA-N 0 0 402.494 5.022 50 10 HKCARN CCOc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@H](c3ccccc3O)C2)cc1 ZINC000053363122 569027578 /nfs/dbraw/zinc/02/75/78/569027578.db2.gz LRJGRPNDSGZUHH-WIOPSUGQSA-N 0 0 402.494 5.022 50 10 HKCARN CCOc1ccc(C2=N[C@H](c3ccccc3OC)N[C@@H](c3ccccc3O)C2)cc1 ZINC000053363123 569027526 /nfs/dbraw/zinc/02/75/26/569027526.db2.gz LRJGRPNDSGZUHH-RDGATRHJSA-N 0 0 402.494 5.022 50 10 HKCARN CCOc1ccc(C2=N[C@H](c3ccccc3OC)N[C@H](c3ccccc3O)C2)cc1 ZINC000053363126 569027550 /nfs/dbraw/zinc/02/75/50/569027550.db2.gz LRJGRPNDSGZUHH-DHLKQENFSA-N 0 0 402.494 5.022 50 10 HKCARN CCOc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363155 569027560 /nfs/dbraw/zinc/02/75/60/569027560.db2.gz TVLOMLSHPIIMCD-ISKFKSNPSA-N 0 0 424.903 5.806 50 10 HKCARN CCOc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363156 569027583 /nfs/dbraw/zinc/02/75/83/569027583.db2.gz TVLOMLSHPIIMCD-LADGPHEKSA-N 0 0 424.903 5.806 50 10 HKCARN CCOc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363158 569027562 /nfs/dbraw/zinc/02/75/62/569027562.db2.gz TVLOMLSHPIIMCD-VWNXMTODSA-N 0 0 424.903 5.806 50 10 HKCARN CCOc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363160 569027528 /nfs/dbraw/zinc/02/75/28/569027528.db2.gz TVLOMLSHPIIMCD-UPVQGACJSA-N 0 0 424.903 5.806 50 10 HKCARN CCc1ccc(C2=N[C@@H](c3ccc(OC)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363163 569027542 /nfs/dbraw/zinc/02/75/42/569027542.db2.gz FXQOWOXUZXYGTJ-ILBGXUMGSA-N 0 0 420.940 5.839 50 10 HKCARN CCc1ccc(C2=N[C@@H](c3ccc(OC)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363165 569027576 /nfs/dbraw/zinc/02/75/76/569027576.db2.gz FXQOWOXUZXYGTJ-UKILVPOCSA-N 0 0 420.940 5.839 50 10 HKCARN CCc1ccc(C2=N[C@H](c3ccc(OC)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363167 569027537 /nfs/dbraw/zinc/02/75/37/569027537.db2.gz FXQOWOXUZXYGTJ-NOZRDPDXSA-N 0 0 420.940 5.839 50 10 HKCARN CCc1ccc(C2=N[C@H](c3ccc(OC)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363169 569027535 /nfs/dbraw/zinc/02/75/35/569027535.db2.gz FXQOWOXUZXYGTJ-ZCYQVOJMSA-N 0 0 420.940 5.839 50 10 HKCARN CCc1ccc(C2=N[C@H](c3ccccc3OC)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363219 569027508 /nfs/dbraw/zinc/02/75/08/569027508.db2.gz CEIZJVZHYXWUKT-RDGATRHJSA-N 0 0 420.940 5.839 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3ccc(F)cc3)N2)c1O ZINC000053363221 569027539 /nfs/dbraw/zinc/02/75/39/569027539.db2.gz DUZDJHPOKCPIRF-ZEQKJWHPSA-N 0 0 418.512 5.715 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3ccc(F)cc3)N2)c1O ZINC000053363223 569027564 /nfs/dbraw/zinc/02/75/64/569027564.db2.gz DUZDJHPOKCPIRF-JYFHCDHNSA-N 0 0 418.512 5.715 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@H](c3ccc(F)cc3)N2)c1O ZINC000053363225 569027547 /nfs/dbraw/zinc/02/75/47/569027547.db2.gz DUZDJHPOKCPIRF-BVAGGSTKSA-N 0 0 418.512 5.715 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@H](c3ccc(F)cc3)N2)c1O ZINC000053363227 569027580 /nfs/dbraw/zinc/02/75/80/569027580.db2.gz DUZDJHPOKCPIRF-OZXSUGGESA-N 0 0 418.512 5.715 50 10 HKCARN CCc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363228 569027522 /nfs/dbraw/zinc/02/75/22/569027522.db2.gz ZWQPOXZWJIXIDQ-ISKFKSNPSA-N 0 0 408.904 5.970 50 10 HKCARN CCc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363230 569027570 /nfs/dbraw/zinc/02/75/70/569027570.db2.gz ZWQPOXZWJIXIDQ-LADGPHEKSA-N 0 0 408.904 5.970 50 10 HKCARN CCc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363232 569027585 /nfs/dbraw/zinc/02/75/85/569027585.db2.gz ZWQPOXZWJIXIDQ-VWNXMTODSA-N 0 0 408.904 5.970 50 10 HKCARN CCc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363234 569027530 /nfs/dbraw/zinc/02/75/30/569027530.db2.gz ZWQPOXZWJIXIDQ-UPVQGACJSA-N 0 0 408.904 5.970 50 10 HKCARN CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccc(C)cc3)N2)c1O ZINC000053363297 569027572 /nfs/dbraw/zinc/02/75/72/569027572.db2.gz JJSCIXJUHWUNBI-ZEQKJWHPSA-N 0 0 416.521 5.330 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccc(C)cc3)N2)c1O ZINC000053363299 569027589 /nfs/dbraw/zinc/02/75/89/569027589.db2.gz JJSCIXJUHWUNBI-JYFHCDHNSA-N 0 0 416.521 5.330 50 10 HKCARN CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccc(C)cc3)N2)c1O ZINC000053363301 569027532 /nfs/dbraw/zinc/02/75/32/569027532.db2.gz JJSCIXJUHWUNBI-BVAGGSTKSA-N 0 0 416.521 5.330 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccc(C)cc3)N2)c1O ZINC000053363302 569027573 /nfs/dbraw/zinc/02/75/73/569027573.db2.gz JJSCIXJUHWUNBI-OZXSUGGESA-N 0 0 416.521 5.330 50 10 HKCARN COc1cccc(C2=N[C@@H](c3ccc(C)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)c1 ZINC000053363305 569027512 /nfs/dbraw/zinc/02/75/12/569027512.db2.gz FLBNVKNJODTHLM-ISKFKSNPSA-N 0 0 406.913 5.585 50 10 HKCARN COc1cccc(C2=N[C@H](c3ccc(C)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)c1 ZINC000053363307 569027540 /nfs/dbraw/zinc/02/75/40/569027540.db2.gz FLBNVKNJODTHLM-VWNXMTODSA-N 0 0 406.913 5.585 50 10 HKCARN COc1cccc(C2=N[C@@H](c3ccc(C)cc3)N[C@H](c3cc(Cl)ccc3O)C2)c1 ZINC000053363309 569027556 /nfs/dbraw/zinc/02/75/56/569027556.db2.gz FLBNVKNJODTHLM-LADGPHEKSA-N 0 0 406.913 5.585 50 10 HKCARN COc1cccc(C2=N[C@H](c3ccc(C)cc3)N[C@H](c3cc(Cl)ccc3O)C2)c1 ZINC000053363311 569027554 /nfs/dbraw/zinc/02/75/54/569027554.db2.gz FLBNVKNJODTHLM-UPVQGACJSA-N 0 0 406.913 5.585 50 10 HKCARN COc1cccc(C2=N[C@@H](c3ccccc3OC)N[C@@H](c3cc(Cl)ccc3O)C2)c1 ZINC000053363362 569027518 /nfs/dbraw/zinc/02/75/18/569027518.db2.gz HDMHDSOWALSSLN-ZJSXRUAMSA-N 0 0 422.912 5.285 50 10 HKCARN COc1cccc(C2=N[C@@H](c3ccccc3OC)N[C@H](c3cc(Cl)ccc3O)C2)c1 ZINC000053363364 569027618 /nfs/dbraw/zinc/02/76/18/569027618.db2.gz HDMHDSOWALSSLN-XUZZJYLKSA-N 0 0 422.912 5.285 50 10 HKCARN COc1cccc(C2=N[C@H](c3ccccc3OC)N[C@@H](c3cc(Cl)ccc3O)C2)c1 ZINC000053363365 569027591 /nfs/dbraw/zinc/02/75/91/569027591.db2.gz HDMHDSOWALSSLN-QPPBQGQZSA-N 0 0 422.912 5.285 50 10 HKCARN COc1cccc(C2=N[C@H](c3ccccc3OC)N[C@H](c3cc(Cl)ccc3O)C2)c1 ZINC000053363367 569027611 /nfs/dbraw/zinc/02/76/11/569027611.db2.gz HDMHDSOWALSSLN-URXFXBBRSA-N 0 0 422.912 5.285 50 10 HKCARN CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccc(F)cc3)N2)c1O ZINC000053363375 569027644 /nfs/dbraw/zinc/02/76/44/569027644.db2.gz OMVQSYOWILAEKX-RCZVLFRGSA-N 0 0 420.484 5.161 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccc(F)cc3)N2)c1O ZINC000053363377 569027603 /nfs/dbraw/zinc/02/76/03/569027603.db2.gz OMVQSYOWILAEKX-WIOPSUGQSA-N 0 0 420.484 5.161 50 10 HKCARN CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccc(F)cc3)N2)c1O ZINC000053363378 569027660 /nfs/dbraw/zinc/02/76/60/569027660.db2.gz OMVQSYOWILAEKX-RDGATRHJSA-N 0 0 420.484 5.161 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccc(F)cc3)N2)c1O ZINC000053363381 569027643 /nfs/dbraw/zinc/02/76/43/569027643.db2.gz OMVQSYOWILAEKX-DHLKQENFSA-N 0 0 420.484 5.161 50 10 HKCARN Cc1ccc([C@@H]2N=C(c3cccc(Br)c3)C[C@H](c3ccccc3O)N2)cc1 ZINC000053363383 569027623 /nfs/dbraw/zinc/02/76/23/569027623.db2.gz MPFWYIHVDCGBSF-FYYLOGMGSA-N 0 0 421.338 5.686 50 10 HKCARN Cc1ccc([C@H]2N=C(c3cccc(Br)c3)C[C@H](c3ccccc3O)N2)cc1 ZINC000053363386 569027613 /nfs/dbraw/zinc/02/76/13/569027613.db2.gz MPFWYIHVDCGBSF-GGAORHGYSA-N 0 0 421.338 5.686 50 10 HKCARN Cc1ccc([C@@H]2N=C(c3cccc(Br)c3)C[C@@H](c3ccccc3O)N2)cc1 ZINC000053363388 569027628 /nfs/dbraw/zinc/02/76/28/569027628.db2.gz MPFWYIHVDCGBSF-JTHBVZDNSA-N 0 0 421.338 5.686 50 10 HKCARN Cc1ccc([C@H]2N=C(c3cccc(Br)c3)C[C@@H](c3ccccc3O)N2)cc1 ZINC000053363389 569027621 /nfs/dbraw/zinc/02/76/21/569027621.db2.gz MPFWYIHVDCGBSF-GMAHTHKFSA-N 0 0 421.338 5.686 50 10 HKCARN COC(=O)c1ccc([C@@H]2N=C(c3ccc(Cl)cc3)C[C@H](c3ccccc3O)N2)cc1 ZINC000053363489 569027598 /nfs/dbraw/zinc/02/75/98/569027598.db2.gz WZROKTLVDKWJCX-FYYLOGMGSA-N 0 0 420.896 5.055 50 10 HKCARN COC(=O)c1ccc([C@H]2N=C(c3ccc(Cl)cc3)C[C@H](c3ccccc3O)N2)cc1 ZINC000053363491 569027648 /nfs/dbraw/zinc/02/76/48/569027648.db2.gz WZROKTLVDKWJCX-GGAORHGYSA-N 0 0 420.896 5.055 50 10 HKCARN COC(=O)c1ccc([C@@H]2N=C(c3ccc(Cl)cc3)C[C@@H](c3ccccc3O)N2)cc1 ZINC000053363492 569027637 /nfs/dbraw/zinc/02/76/37/569027637.db2.gz WZROKTLVDKWJCX-JTHBVZDNSA-N 0 0 420.896 5.055 50 10 HKCARN COC(=O)c1ccc([C@H]2N=C(c3ccc(Cl)cc3)C[C@@H](c3ccccc3O)N2)cc1 ZINC000053363494 569027650 /nfs/dbraw/zinc/02/76/50/569027650.db2.gz WZROKTLVDKWJCX-GMAHTHKFSA-N 0 0 420.896 5.055 50 10 HKCARN CCc1ccc(C2=N[C@@H](c3ccc(C)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363525 569027625 /nfs/dbraw/zinc/02/76/25/569027625.db2.gz OZLHEDSIVWQAMT-ILBGXUMGSA-N 0 0 404.941 6.139 50 10 HKCARN CCc1ccc(C2=N[C@@H](c3ccc(C)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363527 569027639 /nfs/dbraw/zinc/02/76/39/569027639.db2.gz OZLHEDSIVWQAMT-UKILVPOCSA-N 0 0 404.941 6.139 50 10 HKCARN CCc1ccc(C2=N[C@H](c3ccc(C)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363529 569027596 /nfs/dbraw/zinc/02/75/96/569027596.db2.gz OZLHEDSIVWQAMT-NOZRDPDXSA-N 0 0 404.941 6.139 50 10 HKCARN CCc1ccc(C2=N[C@H](c3ccc(C)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053363531 569027655 /nfs/dbraw/zinc/02/76/55/569027655.db2.gz OZLHEDSIVWQAMT-ZCYQVOJMSA-N 0 0 404.941 6.139 50 10 HKCARN COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(C)cc3)N2)c1O ZINC000053363609 569027617 /nfs/dbraw/zinc/02/76/17/569027617.db2.gz LQLDRLSXCPUIGT-ZJSXRUAMSA-N 0 0 406.913 5.585 50 10 HKCARN COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(C)cc3)N2)c1O ZINC000053363611 569027652 /nfs/dbraw/zinc/02/76/52/569027652.db2.gz LQLDRLSXCPUIGT-QPPBQGQZSA-N 0 0 406.913 5.585 50 10 HKCARN COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(C)cc3)N2)c1O ZINC000053363613 569027641 /nfs/dbraw/zinc/02/76/41/569027641.db2.gz LQLDRLSXCPUIGT-XUZZJYLKSA-N 0 0 406.913 5.585 50 10 HKCARN COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(C)cc3)N2)c1O ZINC000053363615 569027631 /nfs/dbraw/zinc/02/76/31/569027631.db2.gz LQLDRLSXCPUIGT-URXFXBBRSA-N 0 0 406.913 5.585 50 10 HKCARN COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(F)cc3)N2)c1O ZINC000053363620 569027645 /nfs/dbraw/zinc/02/76/45/569027645.db2.gz NUJKTDOUNFWJSY-NFBKMPQASA-N 0 0 410.876 5.416 50 10 HKCARN COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(F)cc3)N2)c1O ZINC000053363622 569027593 /nfs/dbraw/zinc/02/75/93/569027593.db2.gz NUJKTDOUNFWJSY-NZQKXSOJSA-N 0 0 410.876 5.416 50 10 HKCARN COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(F)cc3)N2)c1O ZINC000053363624 569027605 /nfs/dbraw/zinc/02/76/05/569027605.db2.gz NUJKTDOUNFWJSY-OFNKIYASSA-N 0 0 410.876 5.416 50 10 HKCARN COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(F)cc3)N2)c1O ZINC000053363626 569027620 /nfs/dbraw/zinc/02/76/20/569027620.db2.gz NUJKTDOUNFWJSY-REWPJTCUSA-N 0 0 410.876 5.416 50 10 HKCARN COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccccc3OC)N2)c1O ZINC000053363628 569027659 /nfs/dbraw/zinc/02/76/59/569027659.db2.gz SMQZVYPOGFLROL-HYBUGGRVSA-N 0 0 422.912 5.285 50 10 HKCARN COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccccc3OC)N2)c1O ZINC000053363630 569027604 /nfs/dbraw/zinc/02/76/04/569027604.db2.gz SMQZVYPOGFLROL-YKSBVNFPSA-N 0 0 422.912 5.285 50 10 HKCARN COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccccc3OC)N2)c1O ZINC000053363631 569027590 /nfs/dbraw/zinc/02/75/90/569027590.db2.gz SMQZVYPOGFLROL-GBXCKJPGSA-N 0 0 422.912 5.285 50 10 HKCARN COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccccc3OC)N2)c1O ZINC000053363633 569027634 /nfs/dbraw/zinc/02/76/34/569027634.db2.gz SMQZVYPOGFLROL-RDPSFJRHSA-N 0 0 422.912 5.285 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3cccc(F)c3)N2)c1O ZINC000053363794 569027594 /nfs/dbraw/zinc/02/75/94/569027594.db2.gz JHIXXUCNRBZRAU-RCZVLFRGSA-N 0 0 420.484 5.161 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3cccc(F)c3)N2)c1O ZINC000053363798 569027609 /nfs/dbraw/zinc/02/76/09/569027609.db2.gz JHIXXUCNRBZRAU-WIOPSUGQSA-N 0 0 420.484 5.161 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@H](c3cccc(F)c3)N2)c1O ZINC000053363801 569027642 /nfs/dbraw/zinc/02/76/42/569027642.db2.gz JHIXXUCNRBZRAU-RDGATRHJSA-N 0 0 420.484 5.161 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@H](c3cccc(F)c3)N2)c1O ZINC000053363806 569027608 /nfs/dbraw/zinc/02/76/08/569027608.db2.gz JHIXXUCNRBZRAU-DHLKQENFSA-N 0 0 420.484 5.161 50 10 HKCARN COc1cccc([C@@H]2N=C(c3ccc(Cl)cc3)C[C@H](c3cccc(OC)c3O)N2)c1 ZINC000053363854 569027615 /nfs/dbraw/zinc/02/76/15/569027615.db2.gz VMTZICDTVHKJJU-ZJSXRUAMSA-N 0 0 422.912 5.285 50 10 HKCARN COc1cccc([C@H]2N=C(c3ccc(Cl)cc3)C[C@H](c3cccc(OC)c3O)N2)c1 ZINC000053363857 569027627 /nfs/dbraw/zinc/02/76/27/569027627.db2.gz VMTZICDTVHKJJU-QPPBQGQZSA-N 0 0 422.912 5.285 50 10 HKCARN COc1cccc([C@@H]2N=C(c3ccc(Cl)cc3)C[C@@H](c3cccc(OC)c3O)N2)c1 ZINC000053363859 569027600 /nfs/dbraw/zinc/02/76/00/569027600.db2.gz VMTZICDTVHKJJU-XUZZJYLKSA-N 0 0 422.912 5.285 50 10 HKCARN COc1cccc([C@H]2N=C(c3ccc(Cl)cc3)C[C@@H](c3cccc(OC)c3O)N2)c1 ZINC000053363862 569027630 /nfs/dbraw/zinc/02/76/30/569027630.db2.gz VMTZICDTVHKJJU-URXFXBBRSA-N 0 0 422.912 5.285 50 10 HKCARN COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3cccc(F)c3)N2)c1O ZINC000053363865 569027616 /nfs/dbraw/zinc/02/76/16/569027616.db2.gz FHYDLGVQWMMFAM-NFBKMPQASA-N 0 0 410.876 5.416 50 10 HKCARN COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3cccc(F)c3)N2)c1O ZINC000053363868 569027595 /nfs/dbraw/zinc/02/75/95/569027595.db2.gz FHYDLGVQWMMFAM-NZQKXSOJSA-N 0 0 410.876 5.416 50 10 HKCARN COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3cccc(F)c3)N2)c1O ZINC000053363870 569027610 /nfs/dbraw/zinc/02/76/10/569027610.db2.gz FHYDLGVQWMMFAM-OFNKIYASSA-N 0 0 410.876 5.416 50 10 HKCARN COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3cccc(F)c3)N2)c1O ZINC000053363873 569027677 /nfs/dbraw/zinc/02/76/77/569027677.db2.gz FHYDLGVQWMMFAM-REWPJTCUSA-N 0 0 410.876 5.416 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(C)cc3)N2)c1O ZINC000053363960 569027699 /nfs/dbraw/zinc/02/76/99/569027699.db2.gz PAXNZKFDOVYBQJ-RCZVLFRGSA-N 0 0 420.940 5.975 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(C)cc3)N2)c1O ZINC000053363963 569027683 /nfs/dbraw/zinc/02/76/83/569027683.db2.gz PAXNZKFDOVYBQJ-WIOPSUGQSA-N 0 0 420.940 5.975 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(C)cc3)N2)c1O ZINC000053363966 569027701 /nfs/dbraw/zinc/02/77/01/569027701.db2.gz PAXNZKFDOVYBQJ-RDGATRHJSA-N 0 0 420.940 5.975 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(C)cc3)N2)c1O ZINC000053363969 569027672 /nfs/dbraw/zinc/02/76/72/569027672.db2.gz PAXNZKFDOVYBQJ-DHLKQENFSA-N 0 0 420.940 5.975 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3cccc(F)c3)N2)c1O ZINC000053364022 569027679 /nfs/dbraw/zinc/02/76/79/569027679.db2.gz PPMFAYLSHFELLR-ZEQKJWHPSA-N 0 0 418.512 5.715 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3cccc(F)c3)N2)c1O ZINC000053364025 569027664 /nfs/dbraw/zinc/02/76/64/569027664.db2.gz PPMFAYLSHFELLR-JYFHCDHNSA-N 0 0 418.512 5.715 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@H](c3cccc(F)c3)N2)c1O ZINC000053364030 569027721 /nfs/dbraw/zinc/02/77/21/569027721.db2.gz PPMFAYLSHFELLR-BVAGGSTKSA-N 0 0 418.512 5.715 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@H](c3cccc(F)c3)N2)c1O ZINC000053364033 569027733 /nfs/dbraw/zinc/02/77/33/569027733.db2.gz PPMFAYLSHFELLR-OZXSUGGESA-N 0 0 418.512 5.715 50 10 HKCARN CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@@H](c3cccc(F)c3)N2)c1O ZINC000053364168 569027730 /nfs/dbraw/zinc/02/77/30/569027730.db2.gz VGGOJQIGQUTQGQ-RCZVLFRGSA-N 0 0 420.484 5.161 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@@H](c3cccc(F)c3)N2)c1O ZINC000053364170 569027695 /nfs/dbraw/zinc/02/76/95/569027695.db2.gz VGGOJQIGQUTQGQ-WIOPSUGQSA-N 0 0 420.484 5.161 50 10 HKCARN CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@H](c3cccc(F)c3)N2)c1O ZINC000053364173 569027694 /nfs/dbraw/zinc/02/76/94/569027694.db2.gz VGGOJQIGQUTQGQ-RDGATRHJSA-N 0 0 420.484 5.161 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@H](c3cccc(F)c3)N2)c1O ZINC000053364176 569027719 /nfs/dbraw/zinc/02/77/19/569027719.db2.gz VGGOJQIGQUTQGQ-DHLKQENFSA-N 0 0 420.484 5.161 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3ccc(C)cc3)N2)c1O ZINC000053364248 569027734 /nfs/dbraw/zinc/02/77/34/569027734.db2.gz HYACVBBLWRTGBH-SHQCIBLASA-N 0 0 414.549 5.884 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3ccc(C)cc3)N2)c1O ZINC000053364251 569027715 /nfs/dbraw/zinc/02/77/15/569027715.db2.gz HYACVBBLWRTGBH-RPLLCQBOSA-N 0 0 414.549 5.884 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@H](c3ccc(C)cc3)N2)c1O ZINC000053364255 569027700 /nfs/dbraw/zinc/02/77/00/569027700.db2.gz HYACVBBLWRTGBH-SQHAQQRYSA-N 0 0 414.549 5.884 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@H](c3ccc(C)cc3)N2)c1O ZINC000053364258 569027698 /nfs/dbraw/zinc/02/76/98/569027698.db2.gz HYACVBBLWRTGBH-IGKIAQTJSA-N 0 0 414.549 5.884 50 10 HKCARN COc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364376 569027696 /nfs/dbraw/zinc/02/76/96/569027696.db2.gz VINNVBUTIYRXRR-FYYLOGMGSA-N 0 0 410.876 5.416 50 10 HKCARN COc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364378 569027723 /nfs/dbraw/zinc/02/77/23/569027723.db2.gz VINNVBUTIYRXRR-JTHBVZDNSA-N 0 0 410.876 5.416 50 10 HKCARN COc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364381 569027673 /nfs/dbraw/zinc/02/76/73/569027673.db2.gz VINNVBUTIYRXRR-GGAORHGYSA-N 0 0 410.876 5.416 50 10 HKCARN COc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364384 569027669 /nfs/dbraw/zinc/02/76/69/569027669.db2.gz VINNVBUTIYRXRR-GMAHTHKFSA-N 0 0 410.876 5.416 50 10 HKCARN CCOc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364401 569027675 /nfs/dbraw/zinc/02/76/75/569027675.db2.gz VTSDQDUDNJIKOD-ISKFKSNPSA-N 0 0 424.903 5.806 50 10 HKCARN CCOc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364405 569027711 /nfs/dbraw/zinc/02/77/11/569027711.db2.gz VTSDQDUDNJIKOD-LADGPHEKSA-N 0 0 424.903 5.806 50 10 HKCARN CCOc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364408 569027706 /nfs/dbraw/zinc/02/77/06/569027706.db2.gz VTSDQDUDNJIKOD-VWNXMTODSA-N 0 0 424.903 5.806 50 10 HKCARN CCOc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364412 569027690 /nfs/dbraw/zinc/02/76/90/569027690.db2.gz VTSDQDUDNJIKOD-UPVQGACJSA-N 0 0 424.903 5.806 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=N[C@@H](c3cccc(F)c3)N2)c1O ZINC000053364463 569027663 /nfs/dbraw/zinc/02/76/63/569027663.db2.gz LWVZWNZGPFDMKR-RCZVLFRGSA-N 0 0 404.485 5.461 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@@H](c3cccc(F)c3)N2)c1O ZINC000053364467 569027720 /nfs/dbraw/zinc/02/77/20/569027720.db2.gz LWVZWNZGPFDMKR-WIOPSUGQSA-N 0 0 404.485 5.461 50 10 HKCARN CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=N[C@H](c3cccc(F)c3)N2)c1O ZINC000053364470 569027725 /nfs/dbraw/zinc/02/77/25/569027725.db2.gz LWVZWNZGPFDMKR-RDGATRHJSA-N 0 0 404.485 5.461 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@H](c3cccc(F)c3)N2)c1O ZINC000053364475 569027682 /nfs/dbraw/zinc/02/76/82/569027682.db2.gz LWVZWNZGPFDMKR-DHLKQENFSA-N 0 0 404.485 5.461 50 10 HKCARN CCc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364498 569027686 /nfs/dbraw/zinc/02/76/86/569027686.db2.gz JVHHTTBVXCQRQA-ISKFKSNPSA-N 0 0 408.904 5.970 50 10 HKCARN CCc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364502 569027667 /nfs/dbraw/zinc/02/76/67/569027667.db2.gz JVHHTTBVXCQRQA-LADGPHEKSA-N 0 0 408.904 5.970 50 10 HKCARN CCc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364505 569027680 /nfs/dbraw/zinc/02/76/80/569027680.db2.gz JVHHTTBVXCQRQA-VWNXMTODSA-N 0 0 408.904 5.970 50 10 HKCARN CCc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000053364508 569027726 /nfs/dbraw/zinc/02/77/26/569027726.db2.gz JVHHTTBVXCQRQA-UPVQGACJSA-N 0 0 408.904 5.970 50 10 HKCARN CCOc1ccccc1[C@@H]1N=C(c2ccc(OC)cc2)C[C@H](c2ccccc2O)N1 ZINC000053364837 569027728 /nfs/dbraw/zinc/02/77/28/569027728.db2.gz KZCJJZRQAGPNKE-RCZVLFRGSA-N 0 0 402.494 5.022 50 10 HKCARN CCOc1ccccc1[C@H]1N=C(c2ccc(OC)cc2)C[C@H](c2ccccc2O)N1 ZINC000053364839 569027665 /nfs/dbraw/zinc/02/76/65/569027665.db2.gz KZCJJZRQAGPNKE-RDGATRHJSA-N 0 0 402.494 5.022 50 10 HKCARN CCOc1ccccc1[C@@H]1N=C(c2ccc(OC)cc2)C[C@@H](c2ccccc2O)N1 ZINC000053364840 569027704 /nfs/dbraw/zinc/02/77/04/569027704.db2.gz KZCJJZRQAGPNKE-WIOPSUGQSA-N 0 0 402.494 5.022 50 10 HKCARN CCOc1ccccc1[C@H]1N=C(c2ccc(OC)cc2)C[C@@H](c2ccccc2O)N1 ZINC000053364841 569027684 /nfs/dbraw/zinc/02/76/84/569027684.db2.gz KZCJJZRQAGPNKE-DHLKQENFSA-N 0 0 402.494 5.022 50 10 HKCARN Oc1ccccc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2c(F)cccc2Cl)N1 ZINC000053364938 569027692 /nfs/dbraw/zinc/02/76/92/569027692.db2.gz NGNRASULLBIOSE-WZONZLPQSA-N 0 0 424.859 5.136 50 10 HKCARN Oc1ccccc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2c(F)cccc2Cl)N1 ZINC000053364939 569027735 /nfs/dbraw/zinc/02/77/35/569027735.db2.gz NGNRASULLBIOSE-FDDCHVKYSA-N 0 0 424.859 5.136 50 10 HKCARN Oc1ccccc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2c(F)cccc2Cl)N1 ZINC000053364941 569027713 /nfs/dbraw/zinc/02/77/13/569027713.db2.gz NGNRASULLBIOSE-JPYJTQIMSA-N 0 0 424.859 5.136 50 10 HKCARN Oc1ccccc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2c(F)cccc2Cl)N1 ZINC000053364944 569027731 /nfs/dbraw/zinc/02/77/31/569027731.db2.gz NGNRASULLBIOSE-MBSDFSHPSA-N 0 0 424.859 5.136 50 10 HKCARN CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccccc3C)N2)c1O ZINC000053365015 569027759 /nfs/dbraw/zinc/02/77/59/569027759.db2.gz CUUIRQQHRLBKLC-ZEQKJWHPSA-N 0 0 416.521 5.330 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccccc3C)N2)c1O ZINC000053365018 569027770 /nfs/dbraw/zinc/02/77/70/569027770.db2.gz CUUIRQQHRLBKLC-JYFHCDHNSA-N 0 0 416.521 5.330 50 10 HKCARN CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccccc3C)N2)c1O ZINC000053365021 569027746 /nfs/dbraw/zinc/02/77/46/569027746.db2.gz CUUIRQQHRLBKLC-BVAGGSTKSA-N 0 0 416.521 5.330 50 10 HKCARN CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccccc3C)N2)c1O ZINC000053365024 569027756 /nfs/dbraw/zinc/02/77/56/569027756.db2.gz CUUIRQQHRLBKLC-OZXSUGGESA-N 0 0 416.521 5.330 50 10 HKCARN O=C1c2oc3c(ccc4c3CN(CCC3=CCCCC3)CO4)c2C(=O)c2ccccc21 ZINC000054387970 569074118 /nfs/dbraw/zinc/07/41/18/569074118.db2.gz JAGZFVNJNLUOKB-UHFFFAOYSA-N 0 0 413.473 5.251 50 10 biogenic HKCARN COc1ccc(Br)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C(C)(C)C ZINC000055087841 558871719 /nfs/dbraw/zinc/87/17/19/558871719.db2.gz YDXIAAYPLSGGBH-LGMDPLHJSA-N 0 0 413.315 5.290 50 10 HKCARN O=C1/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(F)cc1 ZINC000055392753 568773545 /nfs/dbraw/zinc/77/35/45/568773545.db2.gz OGSXRAQJSNLIAK-MNXDUIDKSA-N 0 0 420.874 5.262 50 10 HKCARN CCN(CC)c1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1 ZINC000057396358 558888294 /nfs/dbraw/zinc/88/82/94/558888294.db2.gz AKJYCLYHRZMBBN-DEOSSOPVSA-N 0 0 412.537 5.692 50 10 HKCARN CCN(CC)c1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1 ZINC000057396361 558888256 /nfs/dbraw/zinc/88/82/56/558888256.db2.gz AKJYCLYHRZMBBN-XMMPIXPASA-N 0 0 412.537 5.692 50 10 HKCARN Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1-c1ccccc1C ZINC000058006283 568874722 /nfs/dbraw/zinc/87/47/22/568874722.db2.gz VRFHVEBLWRWLGB-UHFFFAOYSA-N 0 0 406.555 5.181 50 10 HKCARN COc1ccc(C2=N[C@H](c3sccc3C)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000058083383 568883825 /nfs/dbraw/zinc/88/38/25/568883825.db2.gz YZESUJWCQNNNMH-UGKGYDQZSA-N 0 0 412.942 5.647 50 10 HKCARN COc1ccc(C2=N[C@@H](c3sccc3C)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000058083390 568883818 /nfs/dbraw/zinc/88/38/18/568883818.db2.gz YZESUJWCQNNNMH-SIKLNZKXSA-N 0 0 412.942 5.647 50 10 HKCARN COc1ccc(C2=N[C@H](c3sccc3C)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000058083396 568883862 /nfs/dbraw/zinc/88/38/62/568883862.db2.gz YZESUJWCQNNNMH-KNQAVFIVSA-N 0 0 412.942 5.647 50 10 HKCARN COc1ccc(C2=N[C@@H](c3sccc3C)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000058083403 568883878 /nfs/dbraw/zinc/88/38/78/568883878.db2.gz YZESUJWCQNNNMH-DENIHFKCSA-N 0 0 412.942 5.647 50 10 HKCARN Cc1cc(C(=O)[C@@H](Cc2ccccc2)N(C)C)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000058123589 558899958 /nfs/dbraw/zinc/89/99/58/558899958.db2.gz ONCFJBOREPBJSK-JOCHJYFZSA-N 0 0 415.364 5.757 50 10 HKCARN Cc1cc(C(=O)[C@H](Cc2ccccc2)N(C)C)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000058123594 558900026 /nfs/dbraw/zinc/90/00/26/558900026.db2.gz ONCFJBOREPBJSK-QFIPXVFZSA-N 0 0 415.364 5.757 50 10 HKCARN CCc1ccc(C2=N[C@H](c3ccccc3OC)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000058135986 568890258 /nfs/dbraw/zinc/89/02/58/568890258.db2.gz CEIZJVZHYXWUKT-DHLKQENFSA-N 0 0 420.940 5.839 50 10 HKCARN CCc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000058135992 568890266 /nfs/dbraw/zinc/89/02/66/568890266.db2.gz CEIZJVZHYXWUKT-WIOPSUGQSA-N 0 0 420.940 5.839 50 10 HKCARN CCc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000058136014 568890182 /nfs/dbraw/zinc/89/01/82/568890182.db2.gz CEIZJVZHYXWUKT-RCZVLFRGSA-N 0 0 420.940 5.839 50 10 HKCARN CCc1ccc(C2=N[C@H](c3cc(OC)ccc3OC)N[C@H](c3ccccc3O)C2)cc1 ZINC000058138617 568890527 /nfs/dbraw/zinc/89/05/27/568890527.db2.gz WWZBAFOYOGTTSW-OZXSUGGESA-N 0 0 416.521 5.194 50 10 HKCARN CCc1ccc(C2=N[C@@H](c3cc(OC)ccc3OC)N[C@H](c3ccccc3O)C2)cc1 ZINC000058138627 568890538 /nfs/dbraw/zinc/89/05/38/568890538.db2.gz WWZBAFOYOGTTSW-JYFHCDHNSA-N 0 0 416.521 5.194 50 10 HKCARN CCc1ccc(C2=N[C@H](c3cc(OC)ccc3OC)N[C@@H](c3ccccc3O)C2)cc1 ZINC000058138631 568890517 /nfs/dbraw/zinc/89/05/17/568890517.db2.gz WWZBAFOYOGTTSW-BVAGGSTKSA-N 0 0 416.521 5.194 50 10 HKCARN CCc1ccc(C2=N[C@@H](c3cc(OC)ccc3OC)N[C@@H](c3ccccc3O)C2)cc1 ZINC000058138641 568890593 /nfs/dbraw/zinc/89/05/93/568890593.db2.gz WWZBAFOYOGTTSW-ZEQKJWHPSA-N 0 0 416.521 5.194 50 10 HKCARN CCOc1ccccc1[C@H]1N=C(c2ccc(CC)cc2)C[C@@H](c2ccccc2O)N1 ZINC000058138651 568890489 /nfs/dbraw/zinc/89/04/89/568890489.db2.gz RQINJMCSECHCFR-OZXSUGGESA-N 0 0 400.522 5.576 50 10 HKCARN CCOc1ccccc1[C@@H]1N=C(c2ccc(CC)cc2)C[C@@H](c2ccccc2O)N1 ZINC000058138658 568890439 /nfs/dbraw/zinc/89/04/39/568890439.db2.gz RQINJMCSECHCFR-JYFHCDHNSA-N 0 0 400.522 5.576 50 10 HKCARN CCOc1ccccc1[C@H]1N=C(c2ccc(CC)cc2)C[C@H](c2ccccc2O)N1 ZINC000058138663 568890497 /nfs/dbraw/zinc/89/04/97/568890497.db2.gz RQINJMCSECHCFR-BVAGGSTKSA-N 0 0 400.522 5.576 50 10 HKCARN CCOc1ccccc1[C@@H]1N=C(c2ccc(CC)cc2)C[C@H](c2ccccc2O)N1 ZINC000058138675 568890473 /nfs/dbraw/zinc/89/04/73/568890473.db2.gz RQINJMCSECHCFR-ZEQKJWHPSA-N 0 0 400.522 5.576 50 10 HKCARN O=C1/C(=C/C2=Cc3cc(Cl)cc(Cl)c3OC2)SC(=S)N1c1cccnc1 ZINC000058195022 558910765 /nfs/dbraw/zinc/91/07/65/558910765.db2.gz RGPLKNILINEOCQ-WCSRMQSCSA-N 0 0 421.330 5.113 50 10 HKCARN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Nc1ccc(NC2CCOCC2)cc1 ZINC000058265974 558915534 /nfs/dbraw/zinc/91/55/34/558915534.db2.gz HNMMOJVKAKFQIO-UHFFFAOYSA-N 0 0 415.799 5.602 50 10 HKCARN Cc1cccc(NC2=NC(=O)C(=Cc3ccccc3OCc3cccnc3)S2)c1 ZINC000058381534 558923205 /nfs/dbraw/zinc/92/32/05/558923205.db2.gz FRZHRUUSIMWSHO-BKUYFWCQSA-N 0 0 401.491 5.051 50 10 HKCARN Cc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc2c1cccc2C(C)C ZINC000058402189 558924167 /nfs/dbraw/zinc/92/41/67/558924167.db2.gz AKNSSPYNWPYFQH-UHFFFAOYSA-N 0 0 407.533 5.379 50 10 HKCARN Brc1ccccc1[C@@H]1Nc2c(-c3ccccc3)cccc2[C@@H]2C=CC[C@@H]21 ZINC000059267124 569053829 /nfs/dbraw/zinc/05/38/29/569053829.db2.gz RJCUQRQYGBIPBX-VAXXYWNWSA-N 0 0 402.335 6.943 50 10 HKCARN Brc1ccccc1[C@@H]1Nc2c(-c3ccccc3)cccc2[C@@H]2C=CC[C@H]21 ZINC000059267125 558933200 /nfs/dbraw/zinc/93/32/00/558933200.db2.gz RJCUQRQYGBIPBX-MFSJNOQSSA-N 0 0 402.335 6.943 50 10 HKCARN COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC ZINC000059267141 569053780 /nfs/dbraw/zinc/05/37/80/569053780.db2.gz FTQLDMVTJMBLFI-VBHSOAQHSA-N 0 0 422.269 5.571 50 10 HKCARN COc1cccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@@H]32)c1OC ZINC000059267160 569053808 /nfs/dbraw/zinc/05/38/08/569053808.db2.gz BOKUEZDPRWVPMX-FHSNZYRGSA-N 0 0 404.279 5.432 50 10 aggregator HKCARN COC(=O)c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000059267162 569053830 /nfs/dbraw/zinc/05/38/30/569053830.db2.gz KEYLFHQXPIDQEN-VKJFTORMSA-N 0 0 402.263 5.201 50 10 HKCARN O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1CNc1cccc(F)c1 ZINC000059379283 568952261 /nfs/dbraw/zinc/95/22/61/568952261.db2.gz NTBWWOKIFPRNGA-VIZOYTHASA-N 0 0 413.326 5.403 50 10 HKCARN CC(=O)Nc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc1 ZINC000060512815 558897386 /nfs/dbraw/zinc/89/73/86/558897386.db2.gz FHSXNCVKQJRZBM-MOSHPQCFSA-N 0 0 404.516 5.204 50 10 HKCARN CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2)cc1 ZINC000061997570 559035524 /nfs/dbraw/zinc/03/55/24/559035524.db2.gz FGLAMWYJYRUOOO-GNKBHMEESA-N 0 0 406.570 5.041 50 10 biogenic HKCARN Cc1ccc2oc(C(=O)NC3CCN(c4ccc(OC(F)(F)F)cc4)CC3)cc2c1 ZINC000062221052 560585725 /nfs/dbraw/zinc/58/57/25/560585725.db2.gz HGOWXTSCSZDQME-UHFFFAOYSA-N 0 0 418.415 5.039 50 10 HKCARN Cc1ccc(N2C(=O)/C(=C/c3csc(-c4ccsc4)n3)SC2=S)cc1 ZINC000063276530 568829341 /nfs/dbraw/zinc/82/93/41/568829341.db2.gz GJOKHVSMLMFQKX-NVNXTCNLSA-N 0 0 400.575 5.586 50 10 HKCARN COc1c2cc(Cl)ccc2sc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000064756669 569089937 /nfs/dbraw/zinc/08/99/37/569089937.db2.gz JTHDLIKNNRBGHZ-UHFFFAOYSA-N 0 0 414.958 5.484 50 10 HKCARN COc1c2ccc(Cl)cc2sc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000064756819 569089856 /nfs/dbraw/zinc/08/98/56/569089856.db2.gz QVIYJBNAXFFVTM-UHFFFAOYSA-N 0 0 414.958 5.484 50 10 HKCARN Cc1cc(C(=O)Nc2ccc(Oc3ncccn3)cc2C)c(C)n1-c1ccccc1F ZINC000065599024 569237006 /nfs/dbraw/zinc/23/70/06/569237006.db2.gz JEXLYJASCZKZHY-UHFFFAOYSA-N 0 0 416.456 5.376 50 10 HKCARN CCOC(=O)c1sc2nc(-c3ccc(Cl)cc3)cc(-c3ccccc3)c2c1N ZINC000067172747 558985832 /nfs/dbraw/zinc/98/58/32/558985832.db2.gz GNNWXMFIZJVSDC-UHFFFAOYSA-N 0 0 408.910 6.043 50 10 HKCARN Cc1cc2c(cc1C)c1nc3ccccc3[nH]c-1c(-c1cc(Cl)ccc1Cl)c2=O ZINC000067300080 571073612 /nfs/dbraw/zinc/07/36/12/571073612.db2.gz GIZCMBOQYDOUET-UHFFFAOYSA-N 0 0 419.311 7.232 50 10 HKCARN CC(=O)c1c(C)n(Cc2ccccc2)c(-c2ccccc2)c1CC(=O)c1ccccc1 ZINC000067340090 571080780 /nfs/dbraw/zinc/08/07/80/571080780.db2.gz PCTFNAGMBKMNLH-UHFFFAOYSA-N 0 0 407.513 6.140 50 10 HKCARN Cc1cc(C(=O)Nc2cccc(Oc3ncccn3)c2)c(C)n1-c1ccccc1F ZINC000069348471 571221346 /nfs/dbraw/zinc/22/13/46/571221346.db2.gz SHIJNZPCDALSQS-UHFFFAOYSA-N 0 0 402.429 5.068 50 10 HKCARN CCc1ccccc1Nc1nc(C)c(C(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000071326574 571291734 /nfs/dbraw/zinc/29/17/34/571291734.db2.gz YCTIAYUAJGXJNS-UHFFFAOYSA-N 0 0 420.582 5.288 50 10 HKCARN Cc1nc(Nc2ccc(C)cc2C)sc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000071326646 571291781 /nfs/dbraw/zinc/29/17/81/571291781.db2.gz WTHQIPXUKWOBBC-UHFFFAOYSA-N 0 0 420.582 5.342 50 10 HKCARN CCN(CC)c1ccc(C(c2ccc(Cl)cc2)c2ccc(N(CC)CC)cc2)cc1 ZINC000071767225 558910616 /nfs/dbraw/zinc/91/06/16/558910616.db2.gz POVDHWVASYBZFE-UHFFFAOYSA-N 0 0 421.028 7.213 50 10 HKCARN CCOC(=O)c1c(Nc2ccc(Cl)cc2)sc2c1C(=O)c1ccccc1C2=O ZINC000072194226 558931095 /nfs/dbraw/zinc/93/10/95/558931095.db2.gz VEFDVGVEPOOXRC-UHFFFAOYSA-N 0 0 411.866 5.097 50 10 HKCARN CC[C@H](Nc1nc(COC)nc2scc(-c3ccccc3)c21)c1ccccc1O ZINC000072277405 558703543 /nfs/dbraw/zinc/70/35/43/558703543.db2.gz GLLXYSCIFIDYJR-SFHVURJKSA-N 0 0 405.523 5.774 50 10 HKCARN CC[C@@H](Nc1nc(COC)nc2scc(-c3ccccc3)c21)c1ccccc1O ZINC000072277406 558703476 /nfs/dbraw/zinc/70/34/76/558703476.db2.gz GLLXYSCIFIDYJR-GOSISDBHSA-N 0 0 405.523 5.774 50 10 HKCARN CN(Cc1ccccc1O)C(=O)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 ZINC000072309682 558776301 /nfs/dbraw/zinc/77/63/01/558776301.db2.gz GRWAGPLNHARCHS-UHFFFAOYSA-N 0 0 411.502 5.120 50 10 HKCARN Oc1ccccc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000072332597 558892687 /nfs/dbraw/zinc/89/26/87/558892687.db2.gz GUKHASSSDSURRJ-SIKLNZKXSA-N 0 0 421.294 5.397 50 10 HKCARN Oc1ccccc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000072332598 558892589 /nfs/dbraw/zinc/89/25/89/558892589.db2.gz GUKHASSSDSURRJ-DENIHFKCSA-N 0 0 421.294 5.397 50 10 HKCARN Oc1ccc(Cl)cc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000072332663 558892893 /nfs/dbraw/zinc/89/28/93/558892893.db2.gz OYCXZFRTWJVAOT-SIKLNZKXSA-N 0 0 411.288 5.941 50 10 HKCARN Oc1ccc(Cl)cc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000072332664 558892872 /nfs/dbraw/zinc/89/28/72/558892872.db2.gz OYCXZFRTWJVAOT-DENIHFKCSA-N 0 0 411.288 5.941 50 10 HKCARN CN1c2ccccc2S/C1=C\c1cc[n+](CCCCCC(=O)[O-])c2ccccc12 ZINC000073658845 568877016 /nfs/dbraw/zinc/87/70/16/568877016.db2.gz NPGFQLTWJKVBDZ-UHFFFAOYSA-O 0 0 405.543 5.313 50 10 HKCARN CCOC(=O)/C=C(\C)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cc(Cl)ccc1O ZINC000080325229 568601742 /nfs/dbraw/zinc/60/17/42/568601742.db2.gz DJXQDKQZDJDABV-QHSLDKKCSA-N 0 0 419.308 5.317 50 10 HKCARN CCOC(=O)/C=C(\C)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cc(Cl)ccc1O ZINC000080325233 568601815 /nfs/dbraw/zinc/60/18/15/568601815.db2.gz DJXQDKQZDJDABV-YFPIXMDGSA-N 0 0 419.308 5.317 50 10 HKCARN CCOc1ccc(C2=NN(/C(C)=C/C(C)(C)O)[C@H](c3ccccc3O)C2)cc1Cl ZINC000080325337 568601908 /nfs/dbraw/zinc/60/19/08/568601908.db2.gz JGTCXKHOPWHMJT-JWHUVLAVSA-N 0 0 414.933 5.270 50 10 HKCARN CCOc1ccc(C2=NN(/C(C)=C/C(C)(C)O)[C@@H](c3ccccc3O)C2)cc1Cl ZINC000080325340 568601792 /nfs/dbraw/zinc/60/17/92/568601792.db2.gz JGTCXKHOPWHMJT-DAMWEWLOSA-N 0 0 414.933 5.270 50 10 HKCARN CSc1ccc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1 ZINC000080348213 568603695 /nfs/dbraw/zinc/60/36/95/568603695.db2.gz UKEQTTUTMKJLRK-DTRPCSQLSA-N 0 0 412.584 5.388 50 10 HKCARN CC(C)c1ccc(/C=C2\C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)cc1 ZINC000080348221 560542023 /nfs/dbraw/zinc/54/20/23/560542023.db2.gz ORNPYRJRWHXRPW-KKVJOTPGSA-N 0 0 422.941 5.325 50 10 HKCARN CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3cc(C)ccc3C)C2=O)cc1 ZINC000083333329 568914909 /nfs/dbraw/zinc/91/49/09/568914909.db2.gz GVFWYEJBSJPMMR-STZFKDTASA-N 0 0 409.555 5.256 50 10 HKCARN Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2C)c(C)n1-c1cccc(Cl)c1 ZINC000084093310 568937151 /nfs/dbraw/zinc/93/71/51/568937151.db2.gz ZVNZRVMVNLSLMQ-UHFFFAOYSA-N 0 0 423.944 5.145 50 10 HKCARN CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)C(=O)c1ccccc1C3=O ZINC000085224790 559056532 /nfs/dbraw/zinc/05/65/32/559056532.db2.gz NREMKCAHBDRWFB-UHFFFAOYSA-N 0 0 403.275 5.531 50 10 HKCARN CCOC(=O)c1c2cc(O)c(-c3cccnc3)cc2n(C)c1CSc1ccccc1 ZINC000085392430 568984798 /nfs/dbraw/zinc/98/47/98/568984798.db2.gz UNWMFCIRHPQQBS-UHFFFAOYSA-N 0 0 418.518 5.415 50 10 HKCARN CCN(CC)c1ccc([C@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]3CCCN23)cc1 ZINC000085988082 569010035 /nfs/dbraw/zinc/01/00/35/569010035.db2.gz ZDJGIXIKNMMOKS-LEWJYISDSA-N 0 0 418.368 5.349 50 10 HKCARN CC(C)c1ccc(Oc2ccc(N)cc2)cc1-c1ccc(Oc2ccc(N)cc2)cc1 ZINC000087491458 559061899 /nfs/dbraw/zinc/06/18/99/559061899.db2.gz HVNPLIMCLVMLRR-UHFFFAOYSA-N 0 0 410.517 7.226 50 10 HKCARN COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000089473564 569061056 /nfs/dbraw/zinc/06/10/56/569061056.db2.gz DEQRKANJJXXFEK-WCYRKSIYSA-N 0 0 423.512 5.563 50 10 HKCARN COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000089473571 569061007 /nfs/dbraw/zinc/06/10/07/569061007.db2.gz DEQRKANJJXXFEK-OBTVHEKISA-N 0 0 423.512 5.563 50 10 HKCARN CSc1cccc(-n2c(C)cc(C(=O)CSc3ccc(Cl)nn3)c2C)c1 ZINC000089579967 569070683 /nfs/dbraw/zinc/07/06/83/569070683.db2.gz PHMGWEXHYDIPNS-UHFFFAOYSA-N 0 0 403.960 5.234 50 10 HKCARN Cc1cc(-c2csc(NC(=O)c3cc(F)cc(F)c3)n2)c(C)n1-c1ccccc1 ZINC000089580018 569070694 /nfs/dbraw/zinc/07/06/94/569070694.db2.gz LTTPTMSTWUDKPX-UHFFFAOYSA-N 0 0 409.461 5.748 50 10 HKCARN Cc1cc(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)c(C)n1-c1ccccn1 ZINC000089580071 569070679 /nfs/dbraw/zinc/07/06/79/569070679.db2.gz HZCQHQRAUACXCE-UHFFFAOYSA-N 0 0 424.476 5.067 50 10 HKCARN Cc1sc(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc32)cc1[N+](=O)[O-] ZINC000095352927 568601352 /nfs/dbraw/zinc/60/13/52/568601352.db2.gz GEUUOHHYVOELNZ-QFIPXVFZSA-N 0 0 418.474 5.343 50 10 HKCARN Cc1sc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc32)cc1[N+](=O)[O-] ZINC000095352928 568601363 /nfs/dbraw/zinc/60/13/63/568601363.db2.gz GEUUOHHYVOELNZ-JOCHJYFZSA-N 0 0 418.474 5.343 50 10 HKCARN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(Sc3nncs3)cc2)cc1 ZINC000095365067 568602018 /nfs/dbraw/zinc/60/20/18/568602018.db2.gz VAKHTIQXGBHHSK-UHFFFAOYSA-N 0 0 406.536 5.349 50 10 HKCARN CCn1cnnc1-c1cccc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 ZINC000095369516 568602200 /nfs/dbraw/zinc/60/22/00/568602200.db2.gz DBYFWZAXQLWGLV-UHFFFAOYSA-N 0 0 419.916 5.278 50 10 HKCARN CC(C)CO[C@@H](C)c1noc(CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)n1 ZINC000095451556 568614652 /nfs/dbraw/zinc/61/46/52/568614652.db2.gz ROAPKVMCQPAHHN-OALUTQOASA-N 0 0 409.530 5.272 50 10 HKCARN CC(C)CO[C@H](C)c1noc(CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)n1 ZINC000095451557 568614750 /nfs/dbraw/zinc/61/47/50/568614750.db2.gz ROAPKVMCQPAHHN-RBUKOAKNSA-N 0 0 409.530 5.272 50 10 HKCARN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cnc(-c2ccccc2)nc1 ZINC000095465443 568623371 /nfs/dbraw/zinc/62/33/71/568623371.db2.gz YJZAQMPYGYNJJD-IBGZPJMESA-N 0 0 409.489 5.253 50 10 HKCARN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cnc(-c2ccccc2)nc1 ZINC000095465444 568623346 /nfs/dbraw/zinc/62/33/46/568623346.db2.gz YJZAQMPYGYNJJD-LJQANCHMSA-N 0 0 409.489 5.253 50 10 HKCARN COc1cccc(CO[C@H](C)C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)c1 ZINC000095465445 568623495 /nfs/dbraw/zinc/62/34/95/568623495.db2.gz AGPPEFJZYGRRHD-VQTJNVASSA-N 0 0 419.521 5.096 50 10 HKCARN COc1cccc(CO[C@H](C)C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)c1 ZINC000095465446 568623507 /nfs/dbraw/zinc/62/35/07/568623507.db2.gz AGPPEFJZYGRRHD-WOJBJXKFSA-N 0 0 419.521 5.096 50 10 HKCARN COc1cccc(CO[C@@H](C)C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)c1 ZINC000095465447 568623424 /nfs/dbraw/zinc/62/34/24/568623424.db2.gz AGPPEFJZYGRRHD-PMACEKPBSA-N 0 0 419.521 5.096 50 10 HKCARN COc1cccc(CO[C@@H](C)C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)c1 ZINC000095465448 568623466 /nfs/dbraw/zinc/62/34/66/568623466.db2.gz AGPPEFJZYGRRHD-UXHICEINSA-N 0 0 419.521 5.096 50 10 HKCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(Nc2ccccc2)c1 ZINC000095470964 568626422 /nfs/dbraw/zinc/62/64/22/568626422.db2.gz LLTGEHYRLVWSHE-JCMHNJIXSA-N 0 0 402.885 5.802 50 10 HKCARN CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1cc(C)ccc1C ZINC000095471581 568626888 /nfs/dbraw/zinc/62/68/88/568626888.db2.gz MFVMMKBFSQDHKO-ZROIWOOFSA-N 0 0 408.716 5.982 50 10 HKCARN O=C1c2ccccc2-c2onc3c2c1c(Nc1ccccc1)cc3NCc1ccccc1 ZINC000095498623 559081878 /nfs/dbraw/zinc/08/18/78/559081878.db2.gz NISXMDMHVOVZNK-UHFFFAOYSA-N 0 0 417.468 6.395 50 10 HKCARN O=C1N=C(N2CCCCC2)S/C1=C/c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000095950262 568667593 /nfs/dbraw/zinc/66/75/93/568667593.db2.gz AWHXIYXUQJUDBK-XMHGGMMESA-N 0 0 420.563 5.057 50 10 HKCARN CC(=O)Nc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1 ZINC000096035500 568687267 /nfs/dbraw/zinc/68/72/67/568687267.db2.gz FHSXNCVKQJRZBM-DEDYPNTBSA-N 0 0 404.516 5.204 50 10 HKCARN COc1cc(-c2c3cnn(C(C)C)c3nc3c4ccc(O)c(C)c4oc32)cc(O)c1O ZINC000096115072 568694717 /nfs/dbraw/zinc/69/47/17/568694717.db2.gz WFXARUDTFVINPB-UHFFFAOYSA-N 0 0 419.437 5.012 50 10 biogenic HKCARN Cc1ccc(N2C(=O)/C(=C\c3csc(-c4ccsc4)n3)SC2=S)cc1 ZINC000096179970 568702493 /nfs/dbraw/zinc/70/24/93/568702493.db2.gz GJOKHVSMLMFQKX-OVCLIPMQSA-N 0 0 400.575 5.586 50 10 HKCARN CCN1C(=O)/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)c2ccccc21 ZINC000096254781 568712024 /nfs/dbraw/zinc/71/20/24/568712024.db2.gz JVMXGJWEJYVFKR-MOHJPFBDSA-N 0 0 408.501 5.627 50 10 HKCARN O=C1/C(=C\C2=Cc3cc(Cl)cc(Cl)c3OC2)SC(=S)N1c1cccnc1 ZINC000096315696 568725715 /nfs/dbraw/zinc/72/57/15/568725715.db2.gz RGPLKNILINEOCQ-PJQLUOCWSA-N 0 0 421.330 5.113 50 10 HKCARN O=C(C(=O)c1cc2ccccc2c2ccccc12)c1cc2ccccc2c2ccccc12 ZINC000096316056 559109694 /nfs/dbraw/zinc/10/96/94/559109694.db2.gz RGNLSPSRLUJMCB-UHFFFAOYSA-N 0 0 410.472 7.365 50 10 HKCARN O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C/c1ccc(Cl)s1 ZINC000096346683 568737832 /nfs/dbraw/zinc/73/78/32/568737832.db2.gz QLVDIYBGZNAKQG-GHRIWEEISA-N 0 0 402.972 5.327 50 10 HKCARN CCN1C(=O)C(=C2C=C(C)N(CCc3ccc(Cl)cc3)C(C)=C2)SC1=S ZINC000096346846 568737876 /nfs/dbraw/zinc/73/78/76/568737876.db2.gz OMNCRUJTUBFZJH-UHFFFAOYSA-N 0 0 404.988 5.140 50 10 HKCARN Cc1cccc(NC2=NC(=O)C(=Cc3ccccc3OCc3cccnc3)S2)c1 ZINC000096401756 568750304 /nfs/dbraw/zinc/75/03/04/568750304.db2.gz FRZHRUUSIMWSHO-FYJGNVAPSA-N 0 0 401.491 5.051 50 10 HKCARN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000096556974 558971935 /nfs/dbraw/zinc/97/19/35/558971935.db2.gz PPJULNADIKVZJR-CIAFOILYSA-N 0 0 424.472 5.609 50 10 HKCARN CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OCC ZINC000096557633 558972157 /nfs/dbraw/zinc/97/21/57/558972157.db2.gz VGXIORRNIOYSOQ-YBEGLDIGSA-N 0 0 419.308 5.597 50 10 HKCARN Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000096563495 568760636 /nfs/dbraw/zinc/76/06/36/568760636.db2.gz ABPNVSWJHIHGIS-FYJGNVAPSA-N 0 0 422.937 6.297 50 10 HKCARN O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1CNc1cccc(F)c1 ZINC000096564079 568760634 /nfs/dbraw/zinc/76/06/34/568760634.db2.gz NTBWWOKIFPRNGA-CHHVJCJISA-N 0 0 413.326 5.403 50 10 HKCARN CCOc1ccc(/C=C2\C(=O)N(c3nc(-c4ccccc4)cs3)N=C2C)cc1OC ZINC000096564408 568760772 /nfs/dbraw/zinc/76/07/72/568760772.db2.gz DSRUDNMJGMIULG-PDGQHHTCSA-N 0 0 419.506 5.024 50 10 HKCARN Cc1ccc(C2=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1 ZINC000096576513 568761393 /nfs/dbraw/zinc/76/13/93/568761393.db2.gz MLWCAHWUQXBSMW-YBFXNURJSA-N 0 0 414.313 6.623 50 10 HKCARN Cc1ccc(C)c(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccc(Cl)cc2Cl)c1 ZINC000096576769 568761403 /nfs/dbraw/zinc/76/14/03/568761403.db2.gz LQQRYJCRUNYJTQ-FYJGNVAPSA-N 0 0 421.327 6.445 50 10 HKCARN O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1ccccc1Br ZINC000096580143 568762278 /nfs/dbraw/zinc/76/22/78/568762278.db2.gz WMOFAHHKZWTADN-FLIHGVEMSA-N 0 0 402.338 5.411 50 10 HKCARN CN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)C(=O)N(c2ccccc2)C1=S ZINC000096581051 568762419 /nfs/dbraw/zinc/76/24/19/568762419.db2.gz BHTAOZDGVZQBIC-XQNSMLJCSA-N 0 0 422.509 5.167 50 10 HKCARN O=C1c2ccccc2C(=O)c2c3c(ccc21)NC(c1ccccc1)(c1ccccc1)N3 ZINC000096592089 568763053 /nfs/dbraw/zinc/76/30/53/568763053.db2.gz XFPZBYYAKIPKDS-UHFFFAOYSA-N 0 0 402.453 5.201 50 10 HKCARN O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000096592346 568763286 /nfs/dbraw/zinc/76/32/86/568763286.db2.gz ASLLDXOTOOMZNT-AUWJEWJLSA-N 0 0 400.739 6.053 50 10 HKCARN O=C(Nc1ccc2c(c1Oc1ccccc1)C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000096593682 568763500 /nfs/dbraw/zinc/76/35/00/568763500.db2.gz MBLHGIBMNGIIRE-UHFFFAOYSA-N 0 0 419.436 5.507 50 10 HKCARN CCN(Cc1ccccc1)c1ccc(C=C2SC(NC3CCCC3)=NC2=O)cc1 ZINC000096669660 560560136 /nfs/dbraw/zinc/56/01/36/560560136.db2.gz LKUWDOZEOIPDJC-CJLVFECKSA-N 0 0 405.567 5.216 50 10 HKCARN O=c1nc(C(Cl)=Cc2ccc(N3CCCCC3)cc2)[nH]c2sc3c(c21)CCC3 ZINC000096792412 132227356 /nfs/dbraw/zinc/22/73/56/132227356.db2.gz LCISFPIQOLWQHS-GHRIWEEISA-N 0 0 411.958 5.613 50 10 HKCARN CCCCOc1ccc(/C=C2/SC(=S)N(Cc3cccs3)C2=O)cc1OC ZINC000096921007 559012199 /nfs/dbraw/zinc/01/21/99/559012199.db2.gz DFCQLDHXDIWHOR-LDADJPATSA-N 0 0 419.593 5.337 50 10 HKCARN O=C(NCc1ccc(N2CCCCC2)cc1)c1cc2cn(C3CCCC3)cc2s1 ZINC000097161416 568769216 /nfs/dbraw/zinc/76/92/16/568769216.db2.gz FHMCQUQNXDNIGT-UHFFFAOYSA-N 0 0 407.583 5.738 50 10 HKCARN O=C1/C(=C/c2ccccc2Cl)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000097371857 557736300 /nfs/dbraw/zinc/73/63/00/557736300.db2.gz YQOFNDHZKIUXGB-XMHGGMMESA-N 0 0 403.825 5.083 50 10 HKCARN Cc1cccc(NCN2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)c1 ZINC000097371945 557736276 /nfs/dbraw/zinc/73/62/76/557736276.db2.gz QDLXTRWWJPPIEU-OQLLNIDSSA-N 0 0 409.363 5.573 50 10 HKCARN Cc1ccc(C(=O)N2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)cc1 ZINC000097384938 557771597 /nfs/dbraw/zinc/77/15/97/557771597.db2.gz AYMCZBWOWNMADR-OQLLNIDSSA-N 0 0 408.331 5.343 50 10 HKCARN S=C(/C=C1\SC(Cc2ccccc2)=C(c2ccccc2)S1)c1ccccc1 ZINC000097472370 557811895 /nfs/dbraw/zinc/81/18/95/557811895.db2.gz AUKHPGMZMDZNAO-HAVVHWLPSA-N 0 0 402.609 7.338 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C(\C=C\c1ccc(N2N=N2)cc1)c1ccccc1 ZINC000097729697 559120865 /nfs/dbraw/zinc/12/08/65/559120865.db2.gz HANUGJYYNNCKLQ-IAGGNUMHSA-N 0 0 405.461 5.679 50 10 HKCARN Cn1c2ccccc2c2ccc(CC(=O)C=NNc3ccc(Cl)cc3Cl)cc21 ZINC000097940121 558944594 /nfs/dbraw/zinc/94/45/94/558944594.db2.gz KDAZLGFIAXZOHP-OCEACIFDSA-N 0 0 410.304 6.534 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCCCOc2ccccc2)cc1 ZINC000097944937 558962482 /nfs/dbraw/zinc/96/24/82/558962482.db2.gz NMJPYUHDSJRLOM-PLRJNAJWSA-N 0 0 412.489 5.341 50 10 HKCARN O=C(c1ccc(/N=N/[C@@H]2C(=O)Nc3c2cccc3C(F)(F)F)cc1)N1CCCCC1 ZINC000097955950 558884759 /nfs/dbraw/zinc/88/47/59/558884759.db2.gz YOGXXLNCRULPCX-BDSWOBDFSA-N 0 0 416.403 5.109 50 10 HKCARN CC(C)CN(C)C(=O)c1ccc(/N=N/[C@@H]2C(=O)Nc3c2cccc3C(F)(F)F)cc1 ZINC000097956087 558986454 /nfs/dbraw/zinc/98/64/54/558986454.db2.gz PPCFLDXSMKVOSH-BDSWOBDFSA-N 0 0 418.419 5.211 50 10 HKCARN Cc1ccc(COc2ccc(C=C3SC(Nc4cccc(C)c4)=NC3=O)cc2)cc1 ZINC000097990571 560758478 /nfs/dbraw/zinc/75/84/78/560758478.db2.gz VHUSFIMWYSQRJG-HZHRSRAPSA-N 0 0 414.530 5.965 50 10 HKCARN COc1cc(C=C2SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OCC(C)C ZINC000097990630 560758468 /nfs/dbraw/zinc/75/84/68/560758468.db2.gz HXIILHNXXXMJQB-CIAFOILYSA-N 0 0 410.539 5.429 50 10 HKCARN CCOc1cc(C=C2SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OC(F)F ZINC000097990636 560758511 /nfs/dbraw/zinc/75/85/11/560758511.db2.gz NBVLIGANVIUYEI-WOJGMQOQSA-N 0 0 418.465 5.386 50 10 HKCARN CCOc1cc(C=C2SC(Nc3ccccc3C)=NC2=O)ccc1OC(F)F ZINC000097990660 560758488 /nfs/dbraw/zinc/75/84/88/560758488.db2.gz HHTFQQQHZHEBPW-GZTJUZNOSA-N 0 0 404.438 5.078 50 10 HKCARN COc1cc(C=C2SC(Nc3ccccc3C)=NC2=O)cc(Cl)c1OC(C)C ZINC000097990662 560758513 /nfs/dbraw/zinc/75/85/13/560758513.db2.gz FYVQUMOSDWNYQA-WOJGMQOQSA-N 0 0 416.930 5.527 50 10 HKCARN O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1N=c1[nH]c2ccccc2s1 ZINC000098002361 560759075 /nfs/dbraw/zinc/75/90/75/560759075.db2.gz LIJSKYYDQWFNEZ-NTEUORMPSA-N 0 0 403.941 5.178 50 10 HKCARN O=C1/C(=C\c2ccc(-c3ccccc3Cl)s2)SC(=S)N1c1cccnc1 ZINC000098004315 559016672 /nfs/dbraw/zinc/01/66/72/559016672.db2.gz FVKGCWMOYXCRDE-LICLKQGHSA-N 0 0 414.964 5.869 50 10 HKCARN Cc1cc(C=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br ZINC000098063962 559126351 /nfs/dbraw/zinc/12/63/51/559126351.db2.gz XXGKWCMFOCMAKH-UHFFFAOYSA-N 0 0 412.371 6.137 50 10 HKCARN COc1ccc(N2C(=O)/C(=C\C(C)=C\c3cc(Cl)ccc3O)SC2=S)cc1 ZINC000098086345 559064891 /nfs/dbraw/zinc/06/48/91/559064891.db2.gz DJBOCEUSMFKLMV-QLEPDINUSA-N 0 0 417.939 5.406 50 10 HKCARN CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3OC(F)F)C2=O)cc1 ZINC000098086486 559065161 /nfs/dbraw/zinc/06/51/61/559065161.db2.gz LSJBZEVETYTVHM-WJDWOHSUSA-N 0 0 407.463 5.093 50 10 HKCARN COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000098086619 559065298 /nfs/dbraw/zinc/06/52/98/559065298.db2.gz QHUJSHVTJSFPPJ-LICLKQGHSA-N 0 0 419.955 5.067 50 10 HKCARN Cc1ccc(C)c(N=Nc2cc(C)c(NN=C3C(=O)C=Cc4ccccc43)cc2C)c1 ZINC000100005666 559128549 /nfs/dbraw/zinc/12/85/49/559128549.db2.gz NPGIHFRTRXVWOY-XOXGWFOHSA-N 0 0 408.505 8.610 50 10 in-vitro HKCARN O=C(Nc1ccccc1)C1=Cc2ccccc2C(=NNc2ccccc2Cl)C1=O ZINC000100045238 559129186 /nfs/dbraw/zinc/12/91/86/559129186.db2.gz XNANGTRPTFPPPE-CYYJNZCTSA-N 0 0 401.853 6.867 50 10 HKCARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000100072137 559129665 /nfs/dbraw/zinc/12/96/65/559129665.db2.gz ZMKDOSCDTFXBMX-LDADJPATSA-N 0 0 407.813 5.314 50 10 HKCARN Cc1ccc(NC(=O)C2=Cc3ccccc3C(=NNc3ccccc3O)C2=O)c(C)c1 ZINC000100080130 559129643 /nfs/dbraw/zinc/12/96/43/559129643.db2.gz JSSROCUNTZVPCI-BYYHNAKLSA-N 0 0 411.461 6.536 50 10 HKCARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 ZINC000100104758 559150687 /nfs/dbraw/zinc/15/06/87/559150687.db2.gz MLRLAWKJTIJIQE-LPYMAVHISA-N 0 0 420.871 5.864 50 10 HKCARN Cc1cc(N2Cc3ccccc3C2)c(C)cc1/N=N/c1ccc(Br)cc1 ZINC000100131908 559130258 /nfs/dbraw/zinc/13/02/58/559130258.db2.gz KBULNKMQFMAJLM-OCOZRVBESA-N 0 0 406.327 7.002 50 10 HKCARN Cc1ccc(-c2nc(-c3ccccc3)ncc2/N=N\c2cc(Cl)cc(Cl)c2)cc1 ZINC000100135250 559162956 /nfs/dbraw/zinc/16/29/56/559162956.db2.gz FOSKXNHOICZLSR-ZIADKAODSA-N 0 0 419.315 7.841 50 10 HKCARN Cc1ccc(-c2nc(-c3cccnc3)ncc2/N=N\c2cc(Cl)cc(Cl)c2)cc1 ZINC000100135255 559162916 /nfs/dbraw/zinc/16/29/16/559162916.db2.gz DADUKGRPVZDQTG-ZIADKAODSA-N 0 0 420.303 7.236 50 10 HKCARN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000100147838 559164469 /nfs/dbraw/zinc/16/44/69/559164469.db2.gz RFOOBEHMOYKJDK-XDHOZWIPSA-N 0 0 424.972 6.447 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000100147988 559164417 /nfs/dbraw/zinc/16/44/17/559164417.db2.gz XOGKIEZPSNRRHK-HYARGMPZSA-N 0 0 415.880 5.398 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1 ZINC000100148061 559130589 /nfs/dbraw/zinc/13/05/89/559130589.db2.gz WPCPAFKAGCJQKS-CPNJWEJPSA-N 0 0 407.267 5.515 50 10 HKCARN CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000100148099 559130569 /nfs/dbraw/zinc/13/05/69/559130569.db2.gz JWGVFIICPZGYQA-GZTJUZNOSA-N 0 0 415.251 6.199 50 10 HKCARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000100148287 559130576 /nfs/dbraw/zinc/13/05/76/559130576.db2.gz OUUCRFRURKWRGV-OEAKJJBVSA-N 0 0 402.881 5.725 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccccc2F)c2ccccc12 ZINC000100148328 569012425 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Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102725715 560821739 /nfs/dbraw/zinc/82/17/39/560821739.db2.gz YEMRMIQTWSCFHZ-QFIPXVFZSA-N 0 0 415.493 5.442 50 10 HKCARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(O)c(O)c2)cc1 ZINC000102727857 560822012 /nfs/dbraw/zinc/82/20/12/560822012.db2.gz USRWMENNSRWMLN-OYHNWAKOSA-N 0 0 418.449 5.011 50 10 HKCARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(O)c(O)c2)cc1 ZINC000102727859 560821972 /nfs/dbraw/zinc/82/19/72/560821972.db2.gz USRWMENNSRWMLN-IVZQSRNASA-N 0 0 418.449 5.011 50 10 HKCARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(O)c(O)c2)cc1 ZINC000102727862 560822001 /nfs/dbraw/zinc/82/20/01/560822001.db2.gz USRWMENNSRWMLN-NYHFZMIOSA-N 0 0 418.449 5.011 50 10 HKCARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(O)c(O)c2)cc1 ZINC000102727865 560822026 /nfs/dbraw/zinc/82/20/26/560822026.db2.gz USRWMENNSRWMLN-QRQCRPRQSA-N 0 0 418.449 5.011 50 10 HKCARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000102788941 560827704 /nfs/dbraw/zinc/82/77/04/560827704.db2.gz RAIBDAIAWZVTTF-VWLOTQADSA-N 0 0 417.553 5.955 50 10 HKCARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000102788942 560827775 /nfs/dbraw/zinc/82/77/75/560827775.db2.gz RAIBDAIAWZVTTF-RUZDIDTESA-N 0 0 417.553 5.955 50 10 HKCARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000102789093 560827774 /nfs/dbraw/zinc/82/77/74/560827774.db2.gz SJEFUDIBSPMDCG-LFIBNONCSA-N 0 0 402.277 5.261 50 10 HKCARN Oc1ccc(Cl)cc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccco1 ZINC000102907366 560835093 /nfs/dbraw/zinc/83/50/93/560835093.db2.gz LKGLOWHRKVOXEQ-OXQOHEQNSA-N 0 0 401.249 5.534 50 10 HKCARN CCN(CC)c1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000102925213 560834370 /nfs/dbraw/zinc/83/43/70/560834370.db2.gz YDIFIVSADURCOA-AREMUKBSSA-N 0 0 417.597 7.021 50 10 HKCARN CCN(CC)c1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000102925216 560834378 /nfs/dbraw/zinc/83/43/78/560834378.db2.gz YDIFIVSADURCOA-SANMLTNESA-N 0 0 417.597 7.021 50 10 HKCARN Cc1cccc(N=Nc2ccc(NN=C3C(=O)C=Cc4ccccc43)c(C)c2C)c1C ZINC000102947190 560835690 /nfs/dbraw/zinc/83/56/90/560835690.db2.gz KBQLHHZOZSGQGO-XOXGWFOHSA-N 0 0 408.505 8.610 50 10 HKCARN O=C(Nc1ccc(Cl)cc1)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21 ZINC000102989603 560836025 /nfs/dbraw/zinc/83/60/25/560836025.db2.gz GABJEMYOCSTNBS-VAKZPMALSA-N 0 0 402.925 5.745 50 10 HKCARN O=C(c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21)N1CCCC1 ZINC000102991069 560836579 /nfs/dbraw/zinc/83/65/79/560836579.db2.gz UNOROEPJHJHSTA-LVCYWYKZSA-N 0 0 423.354 5.512 50 10 HKCARN O=C(c1ccc(/N=N/[C@H]2C(=O)Nc3c2cccc3C(F)(F)F)cc1)N1CCCCC1 ZINC000103039023 560836672 /nfs/dbraw/zinc/83/66/72/560836672.db2.gz YOGXXLNCRULPCX-RSKBYLLGSA-N 0 0 416.403 5.109 50 10 HKCARN O=C1C(=CNC2CCCCCC2)C(c2ccccc2)=NN1c1nc2ccccc2s1 ZINC000103149582 560839285 /nfs/dbraw/zinc/83/92/85/560839285.db2.gz UDNCYXIBHGPZSL-KNTRCKAVSA-N 0 0 416.550 5.244 50 10 HKCARN O=C1C(=CNC2CCCCCCC2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 ZINC000103247642 560840474 /nfs/dbraw/zinc/84/04/74/560840474.db2.gz WTJFNEITEBZSNV-WYMLVPIESA-N 0 0 422.476 5.148 50 10 HKCARN CC1=NN(c2ccc(C(=O)OC(C)C)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1 ZINC000103512603 560842819 /nfs/dbraw/zinc/84/28/19/560842819.db2.gz XFLFVJYURQABLE-PXLXIMEGSA-N 0 0 414.461 5.318 50 10 HKCARN Cc1cccc(C(O)(C(=O)N=NC2c3ccccc3N(C)C2=O)c2cccc(C)c2)c1 ZINC000103561260 560843180 /nfs/dbraw/zinc/84/31/80/560843180.db2.gz PMESEKMLZJTZME-CYYJNZCTSA-N 0 0 413.477 5.047 50 10 HKCARN Cc1cc(/N=N/c2ccccc2[N+](=O)[O-])c(N)c(/N=N/c2ccccc2[N+](=O)[O-])c1N ZINC000103608784 559156469 /nfs/dbraw/zinc/15/64/69/559156469.db2.gz UMXYZMXCERLUMP-BQASJOSNSA-N 0 0 420.389 5.807 50 10 HKCARN CCOC(=O)c1c(C)c(C(C)C)sc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000103617687 559156461 /nfs/dbraw/zinc/15/64/61/559156461.db2.gz QYWBKLLHQBWJNM-ATVHPVEESA-N 0 0 411.527 5.075 50 10 HKCARN COc1cc(N2N=C(C)C(=CNc3ccc(Cl)c(Cl)c3)C2=O)ccc1Cl ZINC000103646433 560844025 /nfs/dbraw/zinc/84/40/25/560844025.db2.gz WSEFPDLXJXHBJD-UKTHLTGXSA-N 0 0 410.688 5.374 50 10 HKCARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000103883563 560844911 /nfs/dbraw/zinc/84/49/11/560844911.db2.gz BSEBGNJLEYKXKV-WOJGMQOQSA-N 0 0 416.304 5.569 50 10 HKCARN Cc1ccc(/N=N/c2ccc(C)cc2NC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000104163460 559158685 /nfs/dbraw/zinc/15/86/85/559158685.db2.gz XAUOKVREUHBSKG-OCEACIFDSA-N 0 0 407.405 6.410 50 10 HKCARN Oc1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000106937246 560894775 /nfs/dbraw/zinc/89/47/75/560894775.db2.gz GUKHASSSDSURRJ-UGKGYDQZSA-N 0 0 421.294 5.397 50 10 HKCARN Oc1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000106937248 560894792 /nfs/dbraw/zinc/89/47/92/560894792.db2.gz GUKHASSSDSURRJ-KNQAVFIVSA-N 0 0 421.294 5.397 50 10 HKCARN Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000106937372 560894843 /nfs/dbraw/zinc/89/48/43/560894843.db2.gz OYCXZFRTWJVAOT-UGKGYDQZSA-N 0 0 411.288 5.941 50 10 HKCARN Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000106937373 560894800 /nfs/dbraw/zinc/89/48/00/560894800.db2.gz OYCXZFRTWJVAOT-KNQAVFIVSA-N 0 0 411.288 5.941 50 10 HKCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000107248568 560896099 /nfs/dbraw/zinc/89/60/99/560896099.db2.gz OUURHHWASXXMIJ-HYARGMPZSA-N 0 0 420.871 5.864 50 10 HKCARN COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000107578123 560896875 /nfs/dbraw/zinc/89/68/75/560896875.db2.gz DEQRKANJJXXFEK-VMODYCNZSA-N 0 0 423.512 5.563 50 10 HKCARN COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000107578132 560896879 /nfs/dbraw/zinc/89/68/79/560896879.db2.gz DEQRKANJJXXFEK-QHWMMSMNSA-N 0 0 423.512 5.563 50 10 HKCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CN=c1[nH]c2ccc(Cl)cc2s1 ZINC000107678149 560896894 /nfs/dbraw/zinc/89/68/94/560896894.db2.gz TYDCUGUINZGTFB-NTEUORMPSA-N 0 0 403.294 5.322 50 10 HKCARN CC(C)CO[C@H](C)c1noc(CN(Cc2ccccc2O)[C@H](C)c2ccccc2)n1 ZINC000108149717 560897992 /nfs/dbraw/zinc/89/79/92/560897992.db2.gz ROAPKVMCQPAHHN-RTBURBONSA-N 0 0 409.530 5.272 50 10 HKCARN CC(C)CO[C@@H](C)c1noc(CN(Cc2ccccc2O)[C@H](C)c2ccccc2)n1 ZINC000108149720 560898227 /nfs/dbraw/zinc/89/82/27/560898227.db2.gz ROAPKVMCQPAHHN-MOPGFXCFSA-N 0 0 409.530 5.272 50 10 HKCARN CC(C)c1ccc(/C=C2\SC(=S)N(CNc3ccccc3Cl)C2=O)cc1 ZINC000108861591 568419586 /nfs/dbraw/zinc/41/95/86/568419586.db2.gz RYPHUVZSNMFGNR-WQRHYEAKSA-N 0 0 402.972 5.734 50 10 HKCARN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Br)N2 ZINC000111478217 568431720 /nfs/dbraw/zinc/43/17/20/568431720.db2.gz BPZMYJPKCXFYRX-SOZUMNATSA-N 0 0 418.718 5.716 50 10 HKCARN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000111478221 568431631 /nfs/dbraw/zinc/43/16/31/568431631.db2.gz BPZMYJPKCXFYRX-FMTVUPSXSA-N 0 0 418.718 5.716 50 10 HKCARN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000111478226 568431726 /nfs/dbraw/zinc/43/17/26/568431726.db2.gz QHMGZHAVBAQNRN-FTLABTOESA-N 0 0 419.264 5.515 50 10 HKCARN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000111478231 568431649 /nfs/dbraw/zinc/43/16/49/568431649.db2.gz QHMGZHAVBAQNRN-SEDUGSJDSA-N 0 0 419.264 5.515 50 10 HKCARN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000111478277 568431711 /nfs/dbraw/zinc/43/17/11/568431711.db2.gz DEADXKUXPPWZRI-QWQRMKEZSA-N 0 0 418.718 5.716 50 10 HKCARN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000111478281 568431710 /nfs/dbraw/zinc/43/17/10/568431710.db2.gz DEADXKUXPPWZRI-HBUWYVDXSA-N 0 0 418.718 5.716 50 10 HKCARN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000111478727 568431677 /nfs/dbraw/zinc/43/16/77/568431677.db2.gz DNPKSKJFPIKADE-QWQRMKEZSA-N 0 0 418.718 5.716 50 10 HKCARN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000111478730 568431731 /nfs/dbraw/zinc/43/17/31/568431731.db2.gz DNPKSKJFPIKADE-HBUWYVDXSA-N 0 0 418.718 5.716 50 10 HKCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000113355157 568447272 /nfs/dbraw/zinc/44/72/72/568447272.db2.gz DHDYXANJRQUVLF-ZRCGQRJVSA-N 0 0 407.535 5.184 50 10 HKCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000113355161 568447274 /nfs/dbraw/zinc/44/72/74/568447274.db2.gz DHDYXANJRQUVLF-TXTKFYIRSA-N 0 0 407.535 5.184 50 10 HKCARN COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000113355206 568447240 /nfs/dbraw/zinc/44/72/40/568447240.db2.gz JOKJMQHCVVMSMH-IZDJOXEWSA-N 0 0 400.272 5.013 50 10 HKCARN CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(O[C@H](C)c4ccccc4)cc3)C2=N)S1 ZINC000137549410 569025038 /nfs/dbraw/zinc/02/50/38/569025038.db2.gz WSEJSTGPFRWION-FAMDNJFISA-N 0 0 418.522 5.246 50 10 HKCARN CC1=C[C@H](N=Nc2ccccc2[N+](=O)[O-])C(N)=C(N=Nc2ccccc2[N+](=O)[O-])C1=[NH2+] ZINC000137695584 569053628 /nfs/dbraw/zinc/05/36/28/569053628.db2.gz GMJVNQZGAAVHPY-BYSMVGPYSA-N 0 0 420.389 5.107 50 10 HKCARN CC1=C[C@@H](N=Nc2ccccc2[N+](=O)[O-])C(N)=C(N=Nc2ccccc2[N+](=O)[O-])C1=[NH2+] ZINC000137695676 569053609 /nfs/dbraw/zinc/05/36/09/569053609.db2.gz GMJVNQZGAAVHPY-MCIKBKBHSA-N 0 0 420.389 5.107 50 10 HKCARN O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc([N+](=O)[O-])cc4c3N2C[C@@H]2CC=C[C@@H]42)c1 ZINC000167806460 560758086 /nfs/dbraw/zinc/75/80/86/560758086.db2.gz CSBBIUMQTYQSLT-QCUMIWAISA-N 0 0 415.449 5.397 50 10 HKCARN FC(F)(F)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000169616317 560764886 /nfs/dbraw/zinc/76/48/86/560764886.db2.gz SRKNHXLBHAHSOC-IIDMSEBBSA-N 0 0 410.233 6.174 50 10 HKCARN Clc1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4ccccc4cc4c3N2C[C@@H]2CC=C[C@@H]42)cc1 ZINC000169617146 560764993 /nfs/dbraw/zinc/76/49/93/560764993.db2.gz ZRVUUSYPRMGSDR-ZVEKCXHOSA-N 0 0 409.960 7.388 50 10 HKCARN Fc1ccccc1[C@@H]1[C@@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@@H]1CC=C[C@@H]31 ZINC000169617347 560764991 /nfs/dbraw/zinc/76/49/91/560764991.db2.gz FIVHFHLIFPNXEH-QRBDFFOJSA-N 0 0 422.341 6.483 50 10 HKCARN O=[N+]([O-])c1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4ccccc4cc4c3N2C[C@@H]2CC=C[C@@H]42)cc1 ZINC000169617520 560764978 /nfs/dbraw/zinc/76/49/78/560764978.db2.gz SFQKUKBSPUOLCV-ZVEKCXHOSA-N 0 0 420.512 6.642 50 10 HKCARN CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000169620948 569039126 /nfs/dbraw/zinc/03/91/26/569039126.db2.gz SSWHUEHHYRFWSO-YVHKJVDXSA-N 0 0 415.364 6.302 50 10 HKCARN COc1cccc2c1O[C@@H](c1cccc(O)c1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 ZINC000169681535 569127643 /nfs/dbraw/zinc/12/76/43/569127643.db2.gz SULFABMBIPMFDQ-CVDCTZTESA-N 0 0 422.868 5.002 50 10 HKCARN COc1cccc2c1O[C@@H](c1ccc(O)cc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 ZINC000169681536 569127670 /nfs/dbraw/zinc/12/76/70/569127670.db2.gz LPGAGUCQEXUGTO-CVDCTZTESA-N 0 0 422.868 5.002 50 10 HKCARN O=[N+]([O-])c1ccc([C@@H]2Nc3c(I)cccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000169682369 560765503 /nfs/dbraw/zinc/76/55/03/560765503.db2.gz CYIWVPWUCPMPAJ-KEYYUXOJSA-N 0 0 418.234 5.026 50 10 HKCARN O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 ZINC000169684056 569135345 /nfs/dbraw/zinc/13/53/45/569135345.db2.gz HWTRKWRLQBDHNK-ZRCGQRJVSA-N 0 0 403.884 6.537 50 10 HKCARN O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21 ZINC000169684077 569135414 /nfs/dbraw/zinc/13/54/14/569135414.db2.gz PLBLHQIQVLEBNH-STSQHVNTSA-N 0 0 403.884 6.537 50 10 HKCARN FC(F)(F)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000169684197 569135488 /nfs/dbraw/zinc/13/54/88/569135488.db2.gz JKZXWJQNMSFOGV-VFVRVIDISA-N 0 0 400.227 6.719 50 10 HKCARN C[Si](C)(C)CNc1cc(Nc2ccccc2)c2c3c1noc3-c1ccccc1C2=O ZINC000195771879 569314519 /nfs/dbraw/zinc/31/45/19/569314519.db2.gz PUWRIFGQPLMYTQ-UHFFFAOYSA-N 0 0 413.553 6.072 50 10 HKCARN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccccc3)N=C2c2ccc(Cl)cc2Cl)c1 ZINC000211007946 568755635 /nfs/dbraw/zinc/75/56/35/568755635.db2.gz LQQRYJCRUNYJTQ-BKUYFWCQSA-N 0 0 421.327 6.445 50 10 HKCARN O=C1/C(=C/C=C\c2ccccc2)SC(=S)N1c1ccccc1Br ZINC000211014426 568756025 /nfs/dbraw/zinc/75/60/25/568756025.db2.gz WMOFAHHKZWTADN-AMHMVXRNSA-N 0 0 402.338 5.411 50 10 HKCARN CN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N(c2ccccc2)C1=S ZINC000211024609 568756349 /nfs/dbraw/zinc/75/63/49/568756349.db2.gz BHTAOZDGVZQBIC-KQWNVCNZSA-N 0 0 422.509 5.167 50 10 HKCARN O=C1/C(=C\c2cccc(Cl)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000211041285 568756899 /nfs/dbraw/zinc/75/68/99/568756899.db2.gz ASLLDXOTOOMZNT-VGOFMYFVSA-N 0 0 400.739 6.053 50 10 HKCARN CCOc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc(N(C)C)cc1)O2 ZINC000216147746 568463452 /nfs/dbraw/zinc/46/34/52/568463452.db2.gz HEFQRGCNDQPLNT-AZGAKELHSA-N 0 0 413.521 5.394 50 10 HKCARN COc1cc([C@@H]2CC(=O)Oc3c4ccccc4c4nc5ccccc5nc4c32)ccc1O ZINC000217887145 568918189 /nfs/dbraw/zinc/91/81/89/568918189.db2.gz JCTCVEBOBAYBAW-KRWDZBQOSA-N 0 0 422.440 5.091 50 10 biogenic HKCARN COc1cc([C@H]2CC(=O)Oc3c4ccccc4c4nc5ccccc5nc4c32)ccc1O ZINC000217887224 568918115 /nfs/dbraw/zinc/91/81/15/568918115.db2.gz JCTCVEBOBAYBAW-QGZVFWFLSA-N 0 0 422.440 5.091 50 10 biogenic HKCARN COc1ccc([C@@H]2CC(=O)Oc3c4ccccc4c4nc5ccccc5nc4c32)cc1O ZINC000217905737 568919078 /nfs/dbraw/zinc/91/90/78/568919078.db2.gz MVTAORQBJXMKBN-KRWDZBQOSA-N 0 0 422.440 5.091 50 10 biogenic HKCARN COc1ccc([C@H]2CC(=O)Oc3c4ccccc4c4nc5ccccc5nc4c32)cc1O ZINC000217905820 568919103 /nfs/dbraw/zinc/91/91/03/568919103.db2.gz MVTAORQBJXMKBN-QGZVFWFLSA-N 0 0 422.440 5.091 50 10 biogenic HKCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCCCC1 ZINC000222259650 568514596 /nfs/dbraw/zinc/51/45/96/568514596.db2.gz RFEXQEHPRFZKIS-ZFGGDYGUSA-N 0 0 417.509 5.438 50 10 HKCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCCCC1 ZINC000222259712 568514563 /nfs/dbraw/zinc/51/45/63/568514563.db2.gz RFEXQEHPRFZKIS-PQNGQFLHSA-N 0 0 417.509 5.438 50 10 HKCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2)N1CCCCCC1 ZINC000222262527 568514553 /nfs/dbraw/zinc/51/45/53/568514553.db2.gz WELPSTDHUUCDBA-PQNGQFLHSA-N 0 0 417.509 5.438 50 10 HKCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCCC1 ZINC000222297779 568514618 /nfs/dbraw/zinc/51/46/18/568514618.db2.gz PKONPQTXLYMGMV-ZRCGQRJVSA-N 0 0 403.482 5.047 50 10 HKCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCCC1 ZINC000222297840 568514669 /nfs/dbraw/zinc/51/46/69/568514669.db2.gz PKONPQTXLYMGMV-TXTKFYIRSA-N 0 0 403.482 5.047 50 10 HKCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2)N1CCCCC1 ZINC000222302156 568514643 /nfs/dbraw/zinc/51/46/43/568514643.db2.gz AJAVTJKZCKBOLQ-ZRCGQRJVSA-N 0 0 403.482 5.047 50 10 HKCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2)N1CCCCC1 ZINC000222302212 568514641 /nfs/dbraw/zinc/51/46/41/568514641.db2.gz AJAVTJKZCKBOLQ-TXTKFYIRSA-N 0 0 403.482 5.047 50 10 HKCARN C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000222364792 568514913 /nfs/dbraw/zinc/51/49/13/568514913.db2.gz KOLACZLVBICEFL-SULFGKICSA-N 0 0 417.509 5.436 50 10 HKCARN O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc([N+](=O)[O-])cc4c3N2C[C@@H]2CC=C[C@H]42)c1 ZINC000224732001 568593912 /nfs/dbraw/zinc/59/39/12/568593912.db2.gz CSBBIUMQTYQSLT-REJRFELZSA-N 0 0 415.449 5.397 50 10 HKCARN S=C(NN=c1nc(-c2ccccc2)c2ccc(Cl)cc2[nH]1)Nc1ccccc1 ZINC000225783431 568674694 /nfs/dbraw/zinc/67/46/94/568674694.db2.gz VHPIYMNCIRCWKO-UHFFFAOYSA-N 0 0 405.914 5.264 50 10 HKCARN O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Cl)cc4c3N2C[C@@H]2CC=C[C@@H]42)c1 ZINC000226769833 569039910 /nfs/dbraw/zinc/03/99/10/569039910.db2.gz WQAFVILMELQOJK-QCUMIWAISA-N 0 0 404.897 6.143 50 10 HKCARN CCOc1cccc2c1O[C@@H](c1sccc1C)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000227486662 568855278 /nfs/dbraw/zinc/85/52/78/568855278.db2.gz DNLGNANDJKVQJH-MBSDFSHPSA-N 0 0 406.507 5.403 50 10 HKCARN CCOc1cccc2c1O[C@H](c1sccc1C)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000227486673 568855373 /nfs/dbraw/zinc/85/53/73/568855373.db2.gz DNLGNANDJKVQJH-FDDCHVKYSA-N 0 0 406.507 5.403 50 10 HKCARN CCOc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 ZINC000227486770 568855400 /nfs/dbraw/zinc/85/54/00/568855400.db2.gz XRMHDDXDIBTZBZ-MBSDFSHPSA-N 0 0 406.507 5.403 50 10 HKCARN CCOc1cccc2c1O[C@H](c1cccs1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 ZINC000227486779 568855309 /nfs/dbraw/zinc/85/53/09/568855309.db2.gz XRMHDDXDIBTZBZ-FDDCHVKYSA-N 0 0 406.507 5.403 50 10 HKCARN COc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 ZINC000227486789 568855312 /nfs/dbraw/zinc/85/53/12/568855312.db2.gz TVDGONDTPAVSRV-KKSFZXQISA-N 0 0 412.898 5.358 50 10 HKCARN COc1cccc2c1O[C@H](c1cccs1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 ZINC000227486793 568855343 /nfs/dbraw/zinc/85/53/43/568855343.db2.gz TVDGONDTPAVSRV-HRAATJIYSA-N 0 0 412.898 5.358 50 10 HKCARN COc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 ZINC000227486805 568855384 /nfs/dbraw/zinc/85/53/84/568855384.db2.gz NISITWDMQGXPRL-UWJYYQICSA-N 0 0 412.898 5.358 50 10 HKCARN COc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 ZINC000227486811 568855251 /nfs/dbraw/zinc/85/52/51/568855251.db2.gz NISITWDMQGXPRL-LAUBAEHRSA-N 0 0 412.898 5.358 50 10 HKCARN CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 ZINC000227486836 521433042 /nfs/dbraw/zinc/43/30/42/521433042.db2.gz FTZPGFNNZGFBAR-CVDCTZTESA-N 0 0 421.884 5.082 50 10 HKCARN CCOc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 ZINC000227486840 568855341 /nfs/dbraw/zinc/85/53/41/568855341.db2.gz FTZPGFNNZGFBAR-WMZHIEFXSA-N 0 0 421.884 5.082 50 10 HKCARN CCOc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 ZINC000227486849 568855357 /nfs/dbraw/zinc/85/53/57/568855357.db2.gz SCMJVIXUSKAJOR-CVDCTZTESA-N 0 0 421.884 5.082 50 10 HKCARN CCOc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 ZINC000227486858 568855298 /nfs/dbraw/zinc/85/52/98/568855298.db2.gz SCMJVIXUSKAJOR-WMZHIEFXSA-N 0 0 421.884 5.082 50 10 HKCARN CCOc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 ZINC000227486867 568855302 /nfs/dbraw/zinc/85/53/02/568855302.db2.gz VPQWFAYSCJGCNW-CVDCTZTESA-N 0 0 421.884 5.082 50 10 HKCARN CCOc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 ZINC000227486874 568855293 /nfs/dbraw/zinc/85/52/93/568855293.db2.gz VPQWFAYSCJGCNW-WMZHIEFXSA-N 0 0 421.884 5.082 50 10 HKCARN CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 ZINC000227486900 568855290 /nfs/dbraw/zinc/85/52/90/568855290.db2.gz IJRHJQJXMMJUEF-JTSKRJEESA-N 0 0 410.857 5.280 50 10 HKCARN CCOc1cccc2c1O[C@H](c1ccco1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 ZINC000227486909 568855378 /nfs/dbraw/zinc/85/53/78/568855378.db2.gz IJRHJQJXMMJUEF-HTAPYJJXSA-N 0 0 410.857 5.280 50 10 HKCARN O=[N+]([O-])c1ccc([C@@H]2Nc3c(I)cccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000229836898 568715490 /nfs/dbraw/zinc/71/54/90/568715490.db2.gz CYIWVPWUCPMPAJ-CPUCHLNUSA-N 0 0 418.234 5.026 50 10 HKCARN Fc1ccccc1[C@@H]1[C@@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@@H]1CC=C[C@H]31 ZINC000229902687 568715711 /nfs/dbraw/zinc/71/57/11/568715711.db2.gz FIVHFHLIFPNXEH-MIRVAYRJSA-N 0 0 422.341 6.483 50 10 HKCARN FC(F)(F)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000229905669 568715767 /nfs/dbraw/zinc/71/57/67/568715767.db2.gz SRKNHXLBHAHSOC-RKVPGOIHSA-N 0 0 410.233 6.174 50 10 HKCARN C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000229933943 568716040 /nfs/dbraw/zinc/71/60/40/568716040.db2.gz KOLACZLVBICEFL-FZGCSJHNSA-N 0 0 417.509 5.436 50 10 HKCARN C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000229977744 568716394 /nfs/dbraw/zinc/71/63/94/568716394.db2.gz DQXWFOCJQYKYMF-FZGCSJHNSA-N 0 0 406.957 6.181 50 10 HKCARN O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4ccccc4cc4c3N2C[C@@H]2CC=C[C@@H]42)c1 ZINC000229997594 558501113 /nfs/dbraw/zinc/50/11/13/558501113.db2.gz OSXPNPRPAJYLGH-ZVEKCXHOSA-N 0 0 420.512 6.642 50 10 HKCARN Cc1ccc(C)c(N=Nc2cc(C)c(NN=C3C(=O)C=Cc4ccccc43)cc2C)c1 ZINC000242575026 569369874 /nfs/dbraw/zinc/36/98/74/569369874.db2.gz NPGIHFRTRXVWOY-UHFFFAOYSA-N 0 0 408.505 8.610 50 10 in-vitro HKCARN CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N3C[C@@H]1CC=C[C@@H]21 ZINC000245232093 569370265 /nfs/dbraw/zinc/37/02/65/569370265.db2.gz POHNNZIHPZIYMQ-PDLBJYQGSA-N 0 0 412.489 5.692 50 10 HKCARN CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000245232146 569370244 /nfs/dbraw/zinc/37/02/44/569370244.db2.gz POHNNZIHPZIYMQ-VSALZBCGSA-N 0 0 412.489 5.692 50 10 HKCARN O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000245295457 571223236 /nfs/dbraw/zinc/22/32/36/571223236.db2.gz FKOOCCZQGUDXHM-HSMVNMDESA-N 0 0 421.678 5.543 50 10 HKCARN COc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccsc2)c1 ZINC000245297620 571223644 /nfs/dbraw/zinc/22/36/44/571223644.db2.gz VGZBYWAKZZXLHH-NQIIRXRSSA-N 0 0 412.898 5.358 50 10 HKCARN COc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccsc2)c1 ZINC000245297621 571223688 /nfs/dbraw/zinc/22/36/88/571223688.db2.gz VGZBYWAKZZXLHH-RXVVDRJESA-N 0 0 412.898 5.358 50 10 HKCARN O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4ccccc4cc4c3N2C[C@H]2CC=C[C@H]42)c1 ZINC000247407664 559052325 /nfs/dbraw/zinc/05/23/25/559052325.db2.gz OSXPNPRPAJYLGH-MCDSLLMFSA-N 0 0 420.512 6.642 50 10 HKCARN O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4ccccc4cc4c3N2C[C@H]2CC=C[C@@H]42)c1 ZINC000247407681 559052332 /nfs/dbraw/zinc/05/23/32/559052332.db2.gz OSXPNPRPAJYLGH-SFVACJEJSA-N 0 0 420.512 6.642 50 10 HKCARN Fc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@@H]1CC=C[C@@H]21 ZINC000247512868 569370766 /nfs/dbraw/zinc/37/07/66/569370766.db2.gz IVLXELQAFLPJBS-BJTMNOAGSA-N 0 0 422.341 6.483 50 10 HKCARN Fc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@@H]21 ZINC000247512877 569370731 /nfs/dbraw/zinc/37/07/31/569370731.db2.gz IVLXELQAFLPJBS-QKZKXAEISA-N 0 0 422.341 6.483 50 10 HKCARN Fc1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000247512890 569370706 /nfs/dbraw/zinc/37/07/06/569370706.db2.gz IVLXELQAFLPJBS-SLEIARFRSA-N 0 0 422.341 6.483 50 10 HKCARN Fc1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000247512897 569370747 /nfs/dbraw/zinc/37/07/47/569370747.db2.gz IVLXELQAFLPJBS-YBVJTHMASA-N 0 0 422.341 6.483 50 10 HKCARN Oc1ccc(Cl)cc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@H]2c1ccco1 ZINC000247903738 559225064 /nfs/dbraw/zinc/22/50/64/559225064.db2.gz LKGLOWHRKVOXEQ-UZLBHIALSA-N 0 0 401.249 5.534 50 10 HKCARN Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@H]2c1ccsc1 ZINC000248002563 559259105 /nfs/dbraw/zinc/25/91/05/559259105.db2.gz RKFLGADYNUIFSK-PXNSSMCTSA-N 0 0 417.317 6.003 50 10 HKCARN Oc1ccc(Cl)cc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@H]2c1ccsc1 ZINC000248002566 559259100 /nfs/dbraw/zinc/25/91/00/559259100.db2.gz RKFLGADYNUIFSK-XLIONFOSSA-N 0 0 417.317 6.003 50 10 HKCARN COc1cc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccsc2)ccc1O ZINC000248130901 559265045 /nfs/dbraw/zinc/26/50/45/559265045.db2.gz KDGKSELMQKKXOX-UTKZUKDTSA-N 0 0 412.898 5.358 50 10 HKCARN COc1cc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccsc2)ccc1O ZINC000248130909 522308339 /nfs/dbraw/zinc/30/83/39/522308339.db2.gz KDGKSELMQKKXOX-UWJYYQICSA-N 0 0 412.898 5.358 50 10 HKCARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cc(Cl)ccc2O)cc1 ZINC000248248481 569371618 /nfs/dbraw/zinc/37/16/18/569371618.db2.gz NXMDOTLESVFPMP-OFNKIYASSA-N 0 0 406.869 5.297 50 10 HKCARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cc(Cl)ccc2O)cc1 ZINC000248248484 569371637 /nfs/dbraw/zinc/37/16/37/569371637.db2.gz NXMDOTLESVFPMP-REWPJTCUSA-N 0 0 406.869 5.297 50 10 HKCARN Nc1ccc(N=c2oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)cc1 ZINC000252426484 569285172 /nfs/dbraw/zinc/28/51/72/569285172.db2.gz DEUFISZARXUFEH-UHFFFAOYSA-N 0 0 419.509 6.677 50 10 HKCARN Cc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@@H]1CC=C[C@@H]21 ZINC000252427999 569371935 /nfs/dbraw/zinc/37/19/35/569371935.db2.gz NGRNPJMUOOSRQA-DXGKXZIESA-N 0 0 418.378 6.652 50 10 HKCARN Cc1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000252428000 525628437 /nfs/dbraw/zinc/62/84/37/525628437.db2.gz NGRNPJMUOOSRQA-LBUOEMMASA-N 0 0 418.378 6.652 50 10 HKCARN COc1ccc(N2[C@H](c3ccccc3)[C@@H](c3ccccc3)O[C@H]2c2ccccc2)cc1 ZINC000252428178 569371934 /nfs/dbraw/zinc/37/19/34/569371934.db2.gz SIDWUTWAPFJZCA-FCEKVYKBSA-N 0 0 407.513 6.713 50 10 HKCARN COc1ccc(N2[C@H](c3ccccc3)[C@H](c3ccccc3)O[C@H]2c2ccccc2)cc1 ZINC000252428179 524447933 /nfs/dbraw/zinc/44/79/33/524447933.db2.gz SIDWUTWAPFJZCA-PKTNWEFCSA-N 0 0 407.513 6.713 50 10 HKCARN Clc1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4ccccc4cc4c3N2C[C@H]2CC=C[C@H]42)cc1 ZINC000252428361 569371933 /nfs/dbraw/zinc/37/19/33/569371933.db2.gz ZRVUUSYPRMGSDR-MCDSLLMFSA-N 0 0 409.960 7.388 50 10 HKCARN Clc1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4ccccc4cc4c3N2C[C@H]2CC=C[C@@H]42)cc1 ZINC000252428362 526962382 /nfs/dbraw/zinc/96/23/82/526962382.db2.gz ZRVUUSYPRMGSDR-SFVACJEJSA-N 0 0 409.960 7.388 50 10 HKCARN CCN1c2cc(NC(C)=O)c(N=Nc3ccc([N+](=O)[O-])cc3)cc2[C@@H](C)CC1(C)C ZINC000252428574 569371969 /nfs/dbraw/zinc/37/19/69/569371969.db2.gz NNFPJXDINMZRRM-AWEZNQCLSA-N 0 0 409.490 6.081 50 10 HKCARN CCN1c2cc(NC(C)=O)c(N=Nc3ccc([N+](=O)[O-])cc3)cc2[C@H](C)CC1(C)C ZINC000252428575 569372058 /nfs/dbraw/zinc/37/20/58/569372058.db2.gz NNFPJXDINMZRRM-CQSZACIVSA-N 0 0 409.490 6.081 50 10 HKCARN O=C(CF)N[C@H](Nc1ccc(N=Nc2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000252445499 569286134 /nfs/dbraw/zinc/28/61/34/569286134.db2.gz PZUBJZYYQRARFX-HNNXBMFYSA-N 0 0 403.672 5.296 50 10 HKCARN O=C(CF)N[C@@H](Nc1ccc(N=Nc2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000252445500 569286072 /nfs/dbraw/zinc/28/60/72/569286072.db2.gz PZUBJZYYQRARFX-OAHLLOKOSA-N 0 0 403.672 5.296 50 10 HKCARN O=C1C=CC(c2ccccc2)=CC1=NNc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000252461884 569286799 /nfs/dbraw/zinc/28/67/99/569286799.db2.gz NVVAFGNJKKQBJK-UHFFFAOYSA-N 0 0 421.522 5.649 50 10 HKCARN CCN(Cc1ccccc1)c1ccc(N=Nc2nc3ccc(OC)cc3s2)cc1 ZINC000252593531 569296255 /nfs/dbraw/zinc/29/62/55/569296255.db2.gz BKQNVXIFCUZQJJ-UHFFFAOYSA-N 0 0 402.523 6.747 50 10 HKCARN COc1cccc(N=Nc2c(N)nn3c2nc(-c2ccccc2)cc3-c2ccccc2)c1 ZINC000252610023 569298189 /nfs/dbraw/zinc/29/81/89/569298189.db2.gz HYBVJSXLRDFMHN-UHFFFAOYSA-N 0 0 420.476 6.070 50 10 HKCARN Nc1sc(N=Nc2c(Cl)cc(Cl)cc2Cl)c(-c2ccncc2)c1Cl ZINC000252610342 569298243 /nfs/dbraw/zinc/29/82/43/569298243.db2.gz IAOSYEUAASZQEV-UHFFFAOYSA-N 0 0 418.136 7.421 50 10 HKCARN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C1c2ccccc2Oc2ccccc21 ZINC000252626704 569310700 /nfs/dbraw/zinc/31/07/00/569310700.db2.gz REBIUGDNJNRIIZ-UHFFFAOYSA-N 0 0 405.457 6.978 50 10 HKCARN Clc1ccc(N=NSC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000252629006 569311411 /nfs/dbraw/zinc/31/14/11/569311411.db2.gz TWRJVXMZSUDDBB-UHFFFAOYSA-N 0 0 414.961 8.064 50 10 HKCARN Cc1cc(N=Nc2ccccc2[N+](=O)[O-])c(N)c(N=Nc2ccccc2[N+](=O)[O-])c1N ZINC000252629751 569311584 /nfs/dbraw/zinc/31/15/84/569311584.db2.gz UMXYZMXCERLUMP-UHFFFAOYSA-N 0 0 420.389 5.807 50 10 HKCARN Cc1cccc(NN=C2Sc3nc(-c4ccccc4)c(-c4ccccc4)n3C2=O)c1 ZINC000252632064 569313482 /nfs/dbraw/zinc/31/34/82/569313482.db2.gz VPPAXJJTWZPWMO-UHFFFAOYSA-N 0 0 410.502 7.159 50 10 HKCARN CCCCCOc1cccc(OCCCCC)c1NN=C1C(=O)C=Cc2ccccc21 ZINC000252633145 569314052 /nfs/dbraw/zinc/31/40/52/569314052.db2.gz WAIQDSHALLSYSA-UHFFFAOYSA-N 0 0 420.553 8.099 50 10 HKCARN Nc1nn2c(nc(-c3ccccc3)cc2-c2ccccc2)c1N=Nc1cccc(Cl)c1 ZINC000252634429 569315596 /nfs/dbraw/zinc/31/55/96/569315596.db2.gz WNOPDUXGHQMKRN-UHFFFAOYSA-N 0 0 424.895 6.714 50 10 HKCARN CC(=O)N1c2ccc3ccccc3c2[C@@H]2C=CC[C@H]2[C@H]1c1ccc(Br)cc1 ZINC000253981754 569374694 /nfs/dbraw/zinc/37/46/94/569374694.db2.gz QXFVAFMBSIXVEP-PQNGQFLHSA-N 0 0 418.334 6.370 50 10 aggregator HKCARN Cc1cc(N2Cc3ccccc3C2)c(C)cc1N=Nc1ccc(Br)cc1 ZINC000254340365 569374769 /nfs/dbraw/zinc/37/47/69/569374769.db2.gz KBULNKMQFMAJLM-UHFFFAOYSA-N 0 0 406.327 7.002 50 10 HKCARN CCCCN(CCCC)c1cc(C)c(N=Nc2cc(Cl)ccc2Cl)c(C)c1 ZINC000254448496 569271969 /nfs/dbraw/zinc/27/19/69/569271969.db2.gz HYCSHQJJZXOJQM-UHFFFAOYSA-N 0 0 406.401 8.432 50 10 HKCARN O=C(Oc1ccc(N=Nc2ccc(OC(=O)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000254835747 569375052 /nfs/dbraw/zinc/37/50/52/569375052.db2.gz LSNKJMMPJRNFOF-UHFFFAOYSA-N 0 0 422.440 6.540 50 10 HKCARN COc1cc(N=Nc2ccc(Br)cc2)ccc1N1Cc2ccccc2C1 ZINC000254836240 569375007 /nfs/dbraw/zinc/37/50/07/569375007.db2.gz TWVFFLHSAFHEBJ-UHFFFAOYSA-N 0 0 408.299 6.393 50 10 HKCARN Cc1cccc(N=Nc2ccc(NN=C3C(=O)C=Cc4ccccc43)c(C)c2C)c1C ZINC000254879308 568927077 /nfs/dbraw/zinc/92/70/77/568927077.db2.gz KBQLHHZOZSGQGO-UHFFFAOYSA-N 0 0 408.505 8.610 50 10 HKCARN CCN(CCC(=O)OC)c1ccc(N=Nc2snc3ccc([N+](=O)[O-])cc32)cc1 ZINC000256006533 569396745 /nfs/dbraw/zinc/39/67/45/569396745.db2.gz VHLFTCNAACYPDY-UHFFFAOYSA-N 0 0 413.459 5.009 50 10 HKCARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)C(=O)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257348180 569378534 /nfs/dbraw/zinc/37/85/34/569378534.db2.gz BYSWDNBNMZHMHK-JCYQVKKCSA-N 0 0 400.647 6.856 50 10 HKCARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)C(=O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000257348181 569378574 /nfs/dbraw/zinc/37/85/74/569378574.db2.gz BYSWDNBNMZHMHK-KZECIMMFSA-N 0 0 400.647 6.856 50 10 HKCARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)C(=O)C[C@]4(C)[C@@H]3CC[C@]21C ZINC000257348182 569378536 /nfs/dbraw/zinc/37/85/36/569378536.db2.gz BYSWDNBNMZHMHK-MNCXKLITSA-N 0 0 400.647 6.856 50 10 HKCARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)C(=O)C[C@]4(C)[C@H]3CC[C@]21C ZINC000257348183 569378519 /nfs/dbraw/zinc/37/85/19/569378519.db2.gz BYSWDNBNMZHMHK-QGAGPTKBSA-N 0 0 400.647 6.856 50 10 HKCARN CCN(CC)P(=NN=Nc1nc2ccccc2s1)(N(CC)CC)N(CC)CC ZINC000263621580 568912828 /nfs/dbraw/zinc/91/28/28/568912828.db2.gz LQOCTYKKZOUFJX-UHFFFAOYSA-N 0 0 423.571 6.267 50 10 HKCARN CSC1=NC(=O)/C(=C\c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)S1 ZINC000263640114 569380966 /nfs/dbraw/zinc/38/09/66/569380966.db2.gz YEWXSUMQTOOGGC-AWNIVKPZSA-N 0 0 414.861 5.754 50 10 HKCARN COc1ccc2c(c1)S[C@H](c1ccc(F)cc1F)CCN2Cc1[nH]cnc1C ZINC000299758971 569382329 /nfs/dbraw/zinc/38/23/29/569382329.db2.gz MMZAVLWXCWFZCB-FQEVSTJZSA-N 0 0 401.482 5.249 50 10 HKCARN COc1ccc2c(c1)S[C@@H](c1ccc(F)cc1F)CCN2Cc1[nH]cnc1C ZINC000299758992 569382385 /nfs/dbraw/zinc/38/23/85/569382385.db2.gz MMZAVLWXCWFZCB-HXUWFJFHSA-N 0 0 401.482 5.249 50 10 HKCARN COc1ccc2c(c1)S[C@@H](c1ccc(OC)c(C)c1)CCN2Cc1[nH]cnc1C ZINC000299784566 569382393 /nfs/dbraw/zinc/38/23/93/569382393.db2.gz HFVIFQYQTKVSSE-JOCHJYFZSA-N 0 0 409.555 5.287 50 10 HKCARN COc1ccc2c(c1)S[C@H](c1ccc(OC)c(C)c1)CCN2Cc1[nH]cnc1C ZINC000299784582 569382314 /nfs/dbraw/zinc/38/23/14/569382314.db2.gz HFVIFQYQTKVSSE-QFIPXVFZSA-N 0 0 409.555 5.287 50 10 HKCARN COc1ccc2c(c1)S[C@H](c1ccc(OC)c(C)c1)CCN2Cc1cccc(C)n1 ZINC000299785954 569382284 /nfs/dbraw/zinc/38/22/84/569382284.db2.gz OUDFXIBYFDBHJA-DEOSSOPVSA-N 0 0 420.578 5.959 50 10 HKCARN COc1ccc2c(c1)S[C@@H](c1ccc(OC)c(C)c1)CCN2Cc1cccc(C)n1 ZINC000299785962 569382391 /nfs/dbraw/zinc/38/23/91/569382391.db2.gz OUDFXIBYFDBHJA-XMMPIXPASA-N 0 0 420.578 5.959 50 10 HKCARN CCn1cc(CN2CC[C@H](c3ccccc3OC)Sc3cc(OC)ccc32)c(C)n1 ZINC000299786708 569382387 /nfs/dbraw/zinc/38/23/87/569382387.db2.gz PLERNFPEVPWVGB-HSZRJFAPSA-N 0 0 423.582 5.472 50 10 HKCARN CCn1cc(CN2CC[C@@H](c3ccccc3OC)Sc3cc(OC)ccc32)c(C)n1 ZINC000299786709 569382324 /nfs/dbraw/zinc/38/23/24/569382324.db2.gz PLERNFPEVPWVGB-QHCPKHFHSA-N 0 0 423.582 5.472 50 10 HKCARN COc1ccc2c(c1)S[C@@H](c1ccc(OC)c(C)c1)CCN2Cc1cccnc1 ZINC000299801550 569382353 /nfs/dbraw/zinc/38/23/53/569382353.db2.gz ZCNCIMPXRCKZTI-HSZRJFAPSA-N 0 0 406.551 5.651 50 10 HKCARN COc1ccc2c(c1)S[C@H](c1ccc(OC)c(C)c1)CCN2Cc1cccnc1 ZINC000299801554 569382287 /nfs/dbraw/zinc/38/22/87/569382287.db2.gz ZCNCIMPXRCKZTI-QHCPKHFHSA-N 0 0 406.551 5.651 50 10 HKCARN O=C1/C(=C/c2ccccc2F)SC(=S)N1CNc1cccc(C(F)(F)F)c1 ZINC000334160561 558980014 /nfs/dbraw/zinc/98/00/14/558980014.db2.gz HJQCEJXBRPMREJ-NVNXTCNLSA-N 0 0 412.433 5.115 50 10 HKCARN Cc1cc(NCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)ccc1Cl ZINC000334160705 558979974 /nfs/dbraw/zinc/97/99/74/558979974.db2.gz KOKIILPLIWOPKU-WCTLISOUSA-N 0 0 400.956 5.475 50 10 HKCARN Cc1cccc(NCN2C(=O)/C(=C/c3ccccc3Br)SC2=S)c1 ZINC000334160805 558980206 /nfs/dbraw/zinc/98/02/06/558980206.db2.gz MTYIAKTZIRSORR-YBEGLDIGSA-N 0 0 419.369 5.028 50 10 HKCARN CCOc1ccc(/C=C2\SC(=S)N(CNc3ccc(Cl)cc3)C2=O)cc1 ZINC000334160996 558980196 /nfs/dbraw/zinc/98/01/96/558980196.db2.gz QMTBWEAJWCMXRJ-BOPFTXTBSA-N 0 0 404.944 5.010 50 10 HKCARN Cc1cccc(NCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c1 ZINC000334161167 558980172 /nfs/dbraw/zinc/98/01/72/558980172.db2.gz VKJFCPSTLURVOL-YBEGLDIGSA-N 0 0 419.369 5.028 50 10 HKCARN CN(C)c1ccc(/C=C2\SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000334163503 568764087 /nfs/dbraw/zinc/76/40/87/568764087.db2.gz VHBLSOPXRVDILK-MFOYZWKCSA-N 0 0 422.337 5.165 50 10 HKCARN Cc1ccc(C(=O)N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1 ZINC000408822678 560645277 /nfs/dbraw/zinc/64/52/77/560645277.db2.gz RUGCJBFYZYNVOG-OVCLIPMQSA-N 0 0 408.331 5.343 50 10 HKCARN O=C(c1ccccc1F)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S ZINC000408822718 560645280 /nfs/dbraw/zinc/64/52/80/560645280.db2.gz SXZGLGFUIQBOIY-VGOFMYFVSA-N 0 0 412.294 5.174 50 10 HKCARN O=C(c1ccc(F)cc1)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S ZINC000408822746 560556378 /nfs/dbraw/zinc/55/63/78/560556378.db2.gz VICVVOCHALNZGJ-VGOFMYFVSA-N 0 0 412.294 5.174 50 10 HKCARN Cc1nn(-c2ccc(Br)cc2)c(C)c1N=Nc1cccc([N+](=O)[O-])c1 ZINC000584904501 569029735 /nfs/dbraw/zinc/02/97/35/569029735.db2.gz IYUBIYIRMGDSSP-UHFFFAOYSA-N 0 0 400.236 5.575 50 10 HKCARN CC(C)c1csc(CCn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)n1 ZINC000604418498 558887316 /nfs/dbraw/zinc/88/73/16/558887316.db2.gz DPLUFSBBWFGLAL-UHFFFAOYSA-N 0 0 400.503 5.036 50 10 HKCARN