smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000001201633 132239395 /nfs/dbraw/zinc/23/93/95/132239395.db2.gz VMQOJKSDXGQCDT-OQLLNIDSSA-N 0 1 444.440 3.058 50 10 IGCAMN CC[NH+](CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cc(OC)ccc3OC)C2=O)cc1 ZINC000006499408 132277485 /nfs/dbraw/zinc/27/74/85/132277485.db2.gz NHIXQANQMAUDNU-JXAWBTAJSA-N 0 1 438.484 3.129 50 10 IGCAMN CCc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)OC)c4ccccc34)C(=O)NC2=S)cc1 ZINC000009311339 132313350 /nfs/dbraw/zinc/31/33/50/132313350.db2.gz CSPWUBBQZQEPHK-UNOMPAQXSA-N 0 1 447.516 3.208 50 10 IGCAMN COc1cc(OC)c(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000015659361 556541344 /nfs/dbraw/zinc/54/13/44/556541344.db2.gz KKMJUBPYLINABS-GDNBJRDFSA-N 0 1 432.885 3.197 50 10 IGCAMN CCn1ncc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c1C ZINC000017098988 556664024 /nfs/dbraw/zinc/66/40/24/556664024.db2.gz MADGKHQUOLECJI-UHFFFAOYSA-N 0 1 434.543 3.121 50 10 IGCAMN CC[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O ZINC000002395906 569298336 /nfs/dbraw/zinc/29/83/36/569298336.db2.gz WOKBVVULXVMIPK-XSLGSPGOSA-N 0 1 430.508 3.284 50 10 IGCAMN CC[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O ZINC000002395908 569298366 /nfs/dbraw/zinc/29/83/66/569298366.db2.gz WOKBVVULXVMIPK-SRMPHAGFSA-N 0 1 430.508 3.284 50 10 IGCAMN CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)N3CCCCC3)ccc21 ZINC000013007994 569306405 /nfs/dbraw/zinc/30/64/05/569306405.db2.gz DJLKPSPTBPHKBO-QFIPXVFZSA-N 0 1 442.510 3.239 50 10 IGCAMN COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCC1 ZINC000008801039 569476478 /nfs/dbraw/zinc/47/64/78/569476478.db2.gz QKBRJUALQCXBSJ-JOCHJYFZSA-N 0 1 443.613 3.420 50 10 IGCAMN COc1ccc(CCN2C(=O)NC(=O)/C(=C\c3c[nH]c4cc(F)ccc34)C2=O)cc1OC ZINC000009184429 569509912 /nfs/dbraw/zinc/50/99/12/569509912.db2.gz BLGHUPAKLIXKNX-LICLKQGHSA-N 0 1 437.427 3.029 50 10 IGCAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3)N3CCCCC3)ccc21 ZINC000009138307 132227030 /nfs/dbraw/zinc/22/70/30/132227030.db2.gz GGVISARLAQGZFV-HSZRJFAPSA-N 0 1 438.547 3.490 50 10 IGCAMN COc1cccc(N2C(=O)C(=Cc3cc4c(cc3[N+](=O)[O-])OCO4)C(=O)NC2=S)c1 ZINC000002820540 132257463 /nfs/dbraw/zinc/25/74/63/132257463.db2.gz VGZZJVJZTWQBMZ-WLRTZDKTSA-N 0 1 427.394 3.004 50 10 IGCAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1F ZINC000009135605 132306228 /nfs/dbraw/zinc/30/62/28/132306228.db2.gz NJZIHPAHEWCXLT-QHCPKHFHSA-N 0 1 438.547 3.408 50 10 IGCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000009311432 132313293 /nfs/dbraw/zinc/31/32/93/132313293.db2.gz MNKPVBQBPSHEPR-QPEQYQDCSA-N 0 1 431.267 3.009 50 10 IGCAMN CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)o2)cc1 ZINC000015800091 521458904 /nfs/dbraw/zinc/45/89/04/521458904.db2.gz QDBXWSNQISNTCA-PDGQHHTCSA-N 0 1 434.404 3.378 50 10 IGCAMN CCOc1ccccc1NC(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 ZINC000035597262 521543258 /nfs/dbraw/zinc/54/32/58/521543258.db2.gz COTOECLHOCQZGZ-HSZRJFAPSA-N 0 1 437.588 3.188 50 10 IGCAMN CCN(C)c1ccc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)cc1 ZINC000013603140 557380559 /nfs/dbraw/zinc/38/05/59/557380559.db2.gz WHQUQPFCGZWLPX-ATVHPVEESA-N 0 1 447.276 3.209 50 10 IGCAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1F ZINC000013008016 569306476 /nfs/dbraw/zinc/30/64/76/569306476.db2.gz CYUTZAJGDSDWQT-HSZRJFAPSA-N 0 1 438.547 3.408 50 10 IGCAMN CCN1C(=O)NC(=O)/C(=C/c2cn(CCOc3ccccc3OC)c3ccccc23)C1=O ZINC000009805604 569568771 /nfs/dbraw/zinc/56/87/71/569568771.db2.gz KDBKZTYNTTWZHJ-JXAWBTAJSA-N 0 1 433.464 3.211 50 10 IGCAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCCc3ccccc3)N3CCCCC3)ccc21 ZINC000009138402 132227011 /nfs/dbraw/zinc/22/70/11/132227011.db2.gz NLZDHBXIWHJGTI-RUZDIDTESA-N 0 1 448.611 3.071 50 10 IGCAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1F ZINC000009135608 132306218 /nfs/dbraw/zinc/30/62/18/132306218.db2.gz NJZIHPAHEWCXLT-HSZRJFAPSA-N 0 1 438.547 3.408 50 10 IGCAMN COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 ZINC000022589156 524197230 /nfs/dbraw/zinc/19/72/30/524197230.db2.gz UUYYEVFHNWLELS-NRFANRHFSA-N 0 1 430.980 3.133 50 10 IGCAMN COc1ccccc1NC(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 ZINC000035597189 524615226 /nfs/dbraw/zinc/61/52/26/524615226.db2.gz JIWSTFDUWFKRIF-QHCPKHFHSA-N 0 1 437.588 3.188 50 10 IGCAMN COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3Cl)C(=O)NC2=S)cc1 ZINC000009934880 536657350 /nfs/dbraw/zinc/65/73/50/536657350.db2.gz IALJDDFXVREYGJ-RIYZIHGNSA-N 0 1 432.885 3.197 50 10 IGCAMN COc1ccc(CCN2C(=O)NC(=O)/C(=C\c3c(C)[nH]c4ccccc43)C2=O)cc1OC ZINC000001138367 555648075 /nfs/dbraw/zinc/64/80/75/555648075.db2.gz QAZXQZJJVRLMQG-QGOAFFKASA-N 0 1 433.464 3.198 50 10 IGCAMN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000008396646 556163615 /nfs/dbraw/zinc/16/36/15/556163615.db2.gz JJNWENYAMZPZOP-UHFFFAOYSA-N 0 1 435.457 3.440 50 10 IGCAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OC(=O)c1cccc2ccccc21 ZINC000001219804 557120455 /nfs/dbraw/zinc/12/04/55/557120455.db2.gz LOKBMESXRNOSRO-UHFFFAOYSA-N 0 1 430.416 3.207 50 10 IGCAMN O=C1OC2(CCCCC2)OC(=O)C1=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000101268501 557268671 /nfs/dbraw/zinc/26/86/71/557268671.db2.gz HQWNBACGCVMXBM-UHFFFAOYSA-N 0 1 449.510 3.000 50 10 IGCAMN COc1ccc(N2CCN(Cc3c([O-])c(C[NH+]4CCCCCC4)coc3=O)CC2)cc1 ZINC000101408880 557284000 /nfs/dbraw/zinc/28/40/00/557284000.db2.gz DRJDLZMJTJJIAK-UHFFFAOYSA-N 0 1 427.545 3.052 50 10 IGCAMN CN1CCc2cc([C@H](CNC(=O)C(=O)NC3CCCCCC3)N3CCCCC3)ccc21 ZINC000023858054 557376711 /nfs/dbraw/zinc/37/67/11/557376711.db2.gz USHAJMOOGAOJHE-QHCPKHFHSA-N 0 1 426.605 3.161 50 10 IGCAMN CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N3CCCC3)ccc21 ZINC000008964101 569491191 /nfs/dbraw/zinc/49/11/91/569491191.db2.gz UZPWSOVFOSBAIB-OAQYLSRUSA-N 0 1 444.938 3.363 50 10 IGCAMN CCc1ccccc1N1C(=O)/C(=C\c2cn(CC(=O)OC)c3ccccc23)C(=O)NC1=S ZINC000009355023 569525140 /nfs/dbraw/zinc/52/51/40/569525140.db2.gz JCVIUKBLFXSSIP-PDGQHHTCSA-N 0 1 447.516 3.208 50 10 IGCAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000009514096 569543140 /nfs/dbraw/zinc/54/31/40/569543140.db2.gz NBPBFCDYTXUWBE-UHFFFAOYSA-N 0 1 438.480 3.200 50 10 IGCAMN COc1cc(N2CCOCC2)ccc1C=C1C(=O)NC(=O)N(Cc2cccs2)C1=O ZINC000001153343 132237682 /nfs/dbraw/zinc/23/76/82/132237682.db2.gz VUJJROIHZYNHNT-GZTJUZNOSA-N 0 1 427.482 3.096 50 10 IGCAMN COc1ccc([C@@H](CNC(=O)N2CCN(c3ccc(OC)cc3)CC2)N2CCCC2)cc1 ZINC000009469217 132318684 /nfs/dbraw/zinc/31/86/84/132318684.db2.gz NLPHMQUSHFRNAR-XMMPIXPASA-N 0 1 438.572 3.373 50 10 IGCAMN CN(C)c1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)N2CCN(C)CC2)cc1 ZINC000022664980 522247143 /nfs/dbraw/zinc/24/71/43/522247143.db2.gz UDABMIFVAPJKOU-NRFANRHFSA-N 0 1 445.951 3.033 50 10 IGCAMN C[N@H+]([C@@H]1CCOC1)C1CCN(c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC000012246699 523627042 /nfs/dbraw/zinc/62/70/42/523627042.db2.gz OPWZMBSXVMVMJD-OAQYLSRUSA-N 0 1 433.549 3.316 50 10 IGCAMN C[N@@H+]([C@@H]1CCOC1)C1CCN(c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC000012246699 523627052 /nfs/dbraw/zinc/62/70/52/523627052.db2.gz OPWZMBSXVMVMJD-OAQYLSRUSA-N 0 1 433.549 3.316 50 10 IGCAMN CN1CCc2cc([C@@H](CNC(=O)c3ccccc3C(F)(F)F)N3CCN(C)CC3)ccc21 ZINC000022733670 523998545 /nfs/dbraw/zinc/99/85/45/523998545.db2.gz MBJUYLBWVDNCPR-JOCHJYFZSA-N 0 1 446.517 3.416 50 10 IGCAMN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)C(=O)NC2=S)c(C)c1 ZINC000001124405 524916924 /nfs/dbraw/zinc/91/69/24/524916924.db2.gz MKONBCAJDRSSEH-XSFVSMFZSA-N 0 1 435.549 3.280 50 10 IGCAMN Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 ZINC000003865671 555949981 /nfs/dbraw/zinc/94/99/81/555949981.db2.gz JHNYEJDKWJUAJI-PXNMLYILSA-N 0 1 429.479 3.449 50 10 IGCAMN Cc1cc(C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4cc(Cl)ccc4[O-])CC3)O2)n(C)n1 ZINC000014880308 556453157 /nfs/dbraw/zinc/45/31/57/556453157.db2.gz GZSKSZJRMXMUQI-SFHVURJKSA-N 0 1 432.952 3.031 50 10 IGCAMN COc1ccc(Br)cc1C=C1C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000017124246 556668549 /nfs/dbraw/zinc/66/85/49/556668549.db2.gz TZQKWHXWJUYKKX-DHDCSXOGSA-N 0 1 433.233 3.463 50 10 IGCAMN CCN1C(=O)NC(=O)C(=Cc2cn(CC(=O)NCc3ccccc3)c3ccccc23)C1=O ZINC000033333316 557118263 /nfs/dbraw/zinc/11/82/63/557118263.db2.gz DYNZTTQSQCLXMC-UNOMPAQXSA-N 0 1 430.464 3.280 50 10 IGCAMN COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)cc1 ZINC000018173741 557245631 /nfs/dbraw/zinc/24/56/31/557245631.db2.gz LWWMEQSWGBNIMJ-NDENLUEZSA-N 0 1 447.447 3.136 50 10 IGCAMN CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)N3CCCCC3)ccc21 ZINC000023858037 557376593 /nfs/dbraw/zinc/37/65/93/557376593.db2.gz IVRJEMQPWJNNHG-QFIPXVFZSA-N 0 1 442.510 3.239 50 10 IGCAMN O=C1C[C@H](N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)N1c1ccc(O)cc1 ZINC000001304572 568779269 /nfs/dbraw/zinc/77/92/69/568779269.db2.gz LYJMYSXTWCCKND-UCCYEOCQSA-N 0 1 436.514 3.482 50 10 IGCAMN O=C1CC(N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)N1c1ccc(O)cc1 ZINC000001304572 568779270 /nfs/dbraw/zinc/77/92/70/568779270.db2.gz LYJMYSXTWCCKND-UCCYEOCQSA-N 0 1 436.514 3.482 50 10 IGCAMN COc1ccc(S[C@@H]2C[C@@H](C(=O)NC3CC3)N(Cc3ccc(OC)cc3O)C2)cc1 ZINC000014989308 569256779 /nfs/dbraw/zinc/25/67/79/569256779.db2.gz JUCAMEZCPVQVQR-RTWAWAEBSA-N 0 1 428.554 3.423 50 10 IGCAMN COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 ZINC000008801596 569476435 /nfs/dbraw/zinc/47/64/35/569476435.db2.gz OEURIJMSZMXLFL-HSZRJFAPSA-N 0 1 429.586 3.193 50 10 IGCAMN COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1C ZINC000008801006 569476450 /nfs/dbraw/zinc/47/64/50/569476450.db2.gz ZAQKESIUMRNCOS-QFIPXVFZSA-N 0 1 429.586 3.111 50 10 IGCAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCCC3=CCCCC3)N3CCCC3)ccc21 ZINC000009135576 132306285 /nfs/dbraw/zinc/30/62/85/132306285.db2.gz UIHFNHITQAVUJX-XMMPIXPASA-N 0 1 438.616 3.329 50 10 IGCAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)N3CCCC3)ccc21 ZINC000009135602 536397257 /nfs/dbraw/zinc/39/72/57/536397257.db2.gz QQTLLSHDQDMUSS-QFIPXVFZSA-N 0 1 442.510 3.239 50 10 IGCAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3)N3CCCCC3)ccc21 ZINC000009138027 536397642 /nfs/dbraw/zinc/39/76/42/536397642.db2.gz FPBHMEZGQHEGAH-DEOSSOPVSA-N 0 1 434.584 3.029 50 10 IGCAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3)N3CCCCC3)ccc21 ZINC000009138310 536397760 /nfs/dbraw/zinc/39/77/60/536397760.db2.gz GGVISARLAQGZFV-QHCPKHFHSA-N 0 1 438.547 3.490 50 10 IGCAMN COc1ccc(N2C(=O)C(=Cc3c(OC)cc(OC)cc3OC)C(=O)NC2=S)cc1 ZINC000001252229 536657042 /nfs/dbraw/zinc/65/70/42/536657042.db2.gz NALIMJDQKPSAIJ-LFIBNONCSA-N 0 1 428.466 3.393 50 10 IGCAMN CCOC(=O)c1ccccc1NC=C1C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000002828545 555831638 /nfs/dbraw/zinc/83/16/38/555831638.db2.gz IMCGXULGNKIPRG-RVDMUPIBSA-N 0 1 427.844 3.091 50 10 IGCAMN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)o2)cc1 ZINC000016212640 556590958 /nfs/dbraw/zinc/59/09/58/556590958.db2.gz XGNVNSLQWQABCB-CPNJWEJPSA-N 0 1 430.416 3.395 50 10 IGCAMN CCCCCCN1C(=O)NC(=O)C(=CNc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O ZINC000102525599 557353152 /nfs/dbraw/zinc/35/31/52/557353152.db2.gz HICDEVOITSXOSY-VKAVYKQESA-N 0 1 425.489 3.279 50 10 IGCAMN COc1ccc(CN2C(=O)NC(=O)C(=Cc3ccc(OC)c(OC)c3OC)C2=O)cc1 ZINC000001295341 562921091 /nfs/dbraw/zinc/92/10/91/562921091.db2.gz GTCHKNLDSWPQIC-LFIBNONCSA-N 0 1 426.425 3.223 50 10 IGCAMN CCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524729521 568903837 /nfs/dbraw/zinc/90/38/37/568903837.db2.gz XCWVAJZSIFBNNM-HIFRSBDPSA-N 0 1 426.900 3.495 50 10 IGCAMN CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)N3CCCCC3)ccc21 ZINC000013008012 569306411 /nfs/dbraw/zinc/30/64/11/569306411.db2.gz UVNNIPFYESNZFW-JOCHJYFZSA-N 0 1 442.510 3.239 50 10 IGCAMN COC(=O)C[C@H](c1ccnn1C)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221269 569386904 /nfs/dbraw/zinc/38/69/04/569386904.db2.gz NHQOFFCYTVQNJM-CYBMUJFWSA-N 0 1 436.420 3.005 50 10 IGCAMN Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c(C)c1 ZINC000008964168 569491149 /nfs/dbraw/zinc/49/11/49/569491149.db2.gz DEALPJQLLCGPRX-HSZRJFAPSA-N 0 1 434.584 3.496 50 10 IGCAMN CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])N2CCN(C)CC2)cc1 ZINC000022664975 522248604 /nfs/dbraw/zinc/24/86/04/522248604.db2.gz BYIBHSVUIBZTLC-NRFANRHFSA-N 0 1 445.951 3.033 50 10 IGCAMN COc1ccccc1NC(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 ZINC000035597190 524614928 /nfs/dbraw/zinc/61/49/28/524614928.db2.gz JIWSTFDUWFKRIF-HSZRJFAPSA-N 0 1 437.588 3.188 50 10 IGCAMN CCc1cccc2c(C=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)cn(CC(N)=O)c21 ZINC000059087166 556794568 /nfs/dbraw/zinc/79/45/68/556794568.db2.gz AWGUSPYPAXYQQX-YBFXNURJSA-N 0 1 430.464 3.191 50 10 IGCAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000001120439 568661358 /nfs/dbraw/zinc/66/13/58/568661358.db2.gz YWWBWYWHVBUBLG-UHFFFAOYSA-N 0 1 436.464 3.351 50 10 IGCAMN O=C1NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(Br)c2)C(=O)N1 ZINC000001175933 568735522 /nfs/dbraw/zinc/73/55/22/568735522.db2.gz WGSIDDCGRRNPGF-UHFFFAOYSA-N 0 1 437.253 3.051 50 10 IGCAMN CCCCN1C(=O)NC(=O)/C(=C\c2c(C)c3cc4c5c(c3oc2=O)CCCN5CCC4)C1=O ZINC000002104452 569180259 /nfs/dbraw/zinc/18/02/59/569180259.db2.gz OXNILVZGXRXCIQ-CPNJWEJPSA-N 0 1 449.507 3.062 50 10 IGCAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1C ZINC000002977159 569433666 /nfs/dbraw/zinc/43/36/66/569433666.db2.gz BKDSRJPXYKQMSY-UHFFFAOYSA-N 0 1 444.871 3.173 50 10 IGCAMN CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 ZINC000008801022 569476460 /nfs/dbraw/zinc/47/64/60/569476460.db2.gz UDHTWHLZLXZJHE-QHCPKHFHSA-N 0 1 429.586 3.193 50 10 IGCAMN CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(Br)cc2)N(C)C)cc1 ZINC000009526967 569544606 /nfs/dbraw/zinc/54/46/06/569544606.db2.gz MESKLDPKGGMCCG-SFHVURJKSA-N 0 1 426.380 3.096 50 10 IGCAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(F)c3)N3CCCCC3)ccc21 ZINC000009138311 132227046 /nfs/dbraw/zinc/22/70/46/132227046.db2.gz KJYSYAKBOFMAAZ-HSZRJFAPSA-N 0 1 438.547 3.490 50 10 IGCAMN CN1CCc2cc([C@H](CNC(=O)c3ccccc3C(F)(F)F)N3CCN(C)CC3)ccc21 ZINC000022733667 523999453 /nfs/dbraw/zinc/99/94/53/523999453.db2.gz MBJUYLBWVDNCPR-QFIPXVFZSA-N 0 1 446.517 3.416 50 10 IGCAMN COc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccc(F)cc2)C1=O ZINC000009311656 536633819 /nfs/dbraw/zinc/63/38/19/536633819.db2.gz BMRJZERCGPDSJW-ZROIWOOFSA-N 0 1 435.274 3.428 50 10 IGCAMN Cc1cc(C(=O)NC[C@H]2CCC3(CC[NH+](Cc4cc(Cl)ccc4[O-])CC3)O2)n(C)n1 ZINC000014880310 556453177 /nfs/dbraw/zinc/45/31/77/556453177.db2.gz GZSKSZJRMXMUQI-GOSISDBHSA-N 0 1 432.952 3.031 50 10 IGCAMN CCc1nnc2c(NCCCN3CCN(c4ccc(OC)cc4)CC3)nc3ccccc3n12 ZINC000016162628 556586714 /nfs/dbraw/zinc/58/67/14/556586714.db2.gz GMWCLLNNJDDHAE-UHFFFAOYSA-N 0 1 445.571 3.473 50 10 IGCAMN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)N2CCN(C)CC2)cc1 ZINC000023080554 556997829 /nfs/dbraw/zinc/99/78/29/556997829.db2.gz DGHYIMVFDAHAEG-OAQYLSRUSA-N 0 1 445.405 3.234 50 10 IGCAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1O ZINC000022135445 557180144 /nfs/dbraw/zinc/18/01/44/557180144.db2.gz JNLCOHZVMCVUIX-RIYZIHGNSA-N 0 1 447.310 3.385 50 10 IGCAMN COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)cc1 ZINC000002091752 569178643 /nfs/dbraw/zinc/17/86/43/569178643.db2.gz UNYJANFBGVUIQP-IOPHYCJLSA-N 0 1 440.584 3.102 50 10 IGCAMN CN1CCc2cc([C@@H](CNC(=O)C(=O)NCCC3=CCCCC3)N3CCCCC3)ccc21 ZINC000013007976 569306425 /nfs/dbraw/zinc/30/64/25/569306425.db2.gz VHSCLIKKWHVYMN-XMMPIXPASA-N 0 1 438.616 3.329 50 10 IGCAMN COC(=O)C[C@@H](c1cnn(C)c1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222844 569387336 /nfs/dbraw/zinc/38/73/36/569387336.db2.gz SWHPAPBVIRCVCQ-AWEZNQCLSA-N 0 1 436.420 3.005 50 10 IGCAMN COC(=O)C[C@H](c1cnn(C)c1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222842 569387379 /nfs/dbraw/zinc/38/73/79/569387379.db2.gz SWHPAPBVIRCVCQ-CQSZACIVSA-N 0 1 436.420 3.005 50 10 IGCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000001154084 132237669 /nfs/dbraw/zinc/23/76/69/132237669.db2.gz USFXYGZOBHOZLW-QGOAFFKASA-N 0 1 427.913 3.008 50 10 IGCAMN COc1cccc(N2C(=O)C(=Cc3c(OC)cc(OC)cc3OC)C(=O)NC2=S)c1 ZINC000001300636 132241425 /nfs/dbraw/zinc/24/14/25/132241425.db2.gz FZONNPKTYLZXFF-LFIBNONCSA-N 0 1 428.466 3.393 50 10 IGCAMN CCOc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 ZINC000022734819 520910590 /nfs/dbraw/zinc/91/05/90/520910590.db2.gz UOKHJLSAFBWDHJ-RUZDIDTESA-N 0 1 436.600 3.186 50 10 IGCAMN COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 ZINC000022733650 524197169 /nfs/dbraw/zinc/19/71/69/524197169.db2.gz AMDVJZQHVIMPNI-JOCHJYFZSA-N 0 1 442.991 3.059 50 10 IGCAMN COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccco2)nc2cc(=O)[nH]n21 ZINC000021537481 524226301 /nfs/dbraw/zinc/22/63/01/524226301.db2.gz UNPWOUYHOLHVPU-UHFFFAOYSA-N 0 1 431.861 3.070 50 10 IGCAMN COc1ccc(NC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 ZINC000035597187 524567419 /nfs/dbraw/zinc/56/74/19/524567419.db2.gz AODLJNGNQMFPTH-DEOSSOPVSA-N 0 1 437.588 3.188 50 10 IGCAMN COc1ccc(N2C(=O)/C(=C\c3cc4c5c(c3)CCCN5CCC4)C(=O)NC2=S)cc1 ZINC000009198717 536657447 /nfs/dbraw/zinc/65/74/47/536657447.db2.gz ZROPEAKONOIMST-ZHZULCJRSA-N 0 1 433.533 3.225 50 10 IGCAMN CCOC(=O)c1ccc(NC=C2C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)cc1 ZINC000002832806 555832066 /nfs/dbraw/zinc/83/20/66/555832066.db2.gz DQCDBYODCMICOQ-LFIBNONCSA-N 0 1 427.844 3.091 50 10 IGCAMN CCOc1ccc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)cc1 ZINC000013562089 556517893 /nfs/dbraw/zinc/51/78/93/556517893.db2.gz ZZUYGWDOJBPZBR-WJDWOHSUSA-N 0 1 434.233 3.151 50 10 IGCAMN COc1ccc(C=C2C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Br ZINC000017147040 556669916 /nfs/dbraw/zinc/66/99/16/556669916.db2.gz ZIHHAGWQDLAOEE-ZSOIEALJSA-N 0 1 433.233 3.463 50 10 IGCAMN COc1ccc(CN2C(=O)NC(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)C2=O)cc1 ZINC000001261223 562921076 /nfs/dbraw/zinc/92/10/76/562921076.db2.gz HAQFQRXFUKCAFR-CXUHLZMHSA-N 0 1 426.425 3.223 50 10 IGCAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(Br)cc1 ZINC000001186049 568736211 /nfs/dbraw/zinc/73/62/11/568736211.db2.gz XKQGQPMHWZECDF-UHFFFAOYSA-N 0 1 445.269 3.176 50 10 IGCAMN CN1C(=O)NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)C1=O ZINC000001202000 568737186 /nfs/dbraw/zinc/73/71/86/568737186.db2.gz JBUFGSCNCNECNP-OQLLNIDSSA-N 0 1 433.233 3.259 50 10 IGCAMN CCOc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 ZINC000008801023 569476455 /nfs/dbraw/zinc/47/64/55/569476455.db2.gz UDHTWHLZLXZJHE-HSZRJFAPSA-N 0 1 429.586 3.193 50 10 IGCAMN COc1ccc(CN2C(=O)NC(=O)C(=Cc3cc(OC)c(OC)cc3OC)C2=O)cc1 ZINC000009108561 569501896 /nfs/dbraw/zinc/50/18/96/569501896.db2.gz XQJBNZXQWYNKMP-SXGWCWSVSA-N 0 1 426.425 3.223 50 10 IGCAMN CCCn1c(=O)[nH]nc1S[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000021119780 521632806 /nfs/dbraw/zinc/63/28/06/521632806.db2.gz VVHSWNVEIXJMOI-LBPRGKRZSA-N 0 1 436.493 3.288 50 10 IGCAMN CN(C)c1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])N2CCN(C)CC2)cc1 ZINC000022664977 522242050 /nfs/dbraw/zinc/24/20/50/522242050.db2.gz BYIBHSVUIBZTLC-OAQYLSRUSA-N 0 1 445.951 3.033 50 10 IGCAMN CN1CCc2cc([C@H](CNC(=O)c3c(F)cccc3Cl)N3CCN(C)CC3)ccc21 ZINC000022733672 523999514 /nfs/dbraw/zinc/99/95/14/523999514.db2.gz SPZCCYIAFFZONO-NRFANRHFSA-N 0 1 430.955 3.190 50 10 IGCAMN COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 ZINC000022733652 524196849 /nfs/dbraw/zinc/19/68/49/524196849.db2.gz AMDVJZQHVIMPNI-QFIPXVFZSA-N 0 1 442.991 3.059 50 10 IGCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(OC)c1 ZINC000001203370 536598485 /nfs/dbraw/zinc/59/84/85/536598485.db2.gz JCEPBYXKBLOXQO-OVCLIPMQSA-N 0 1 447.310 3.298 50 10 IGCAMN COc1cc(C=C2C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc(OC)c1OC ZINC000013773645 556305939 /nfs/dbraw/zinc/30/59/39/556305939.db2.gz MNYZKJGKZDDMDZ-MHWRWJLKSA-N 0 1 428.416 3.396 50 10 IGCAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1 ZINC000013942882 556340423 /nfs/dbraw/zinc/34/04/23/556340423.db2.gz URCSXKZLYVTINB-UHFFFAOYSA-N 0 1 444.871 3.173 50 10 IGCAMN COc1ccc(S[C@@H]2C[C@@H](C(=O)NC3CC3)N(Cc3cccc(OC)c3O)C2)cc1 ZINC000014961332 556463766 /nfs/dbraw/zinc/46/37/66/556463766.db2.gz WKSWZTJHTGESCF-UXHICEINSA-N 0 1 428.554 3.423 50 10 IGCAMN O=C1NC(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(Br)cc2)C(=O)N1 ZINC000002970416 557134390 /nfs/dbraw/zinc/13/43/90/557134390.db2.gz ZYHBTTDHYORUOI-UHFFFAOYSA-N 0 1 435.661 3.431 50 10 IGCAMN CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)N3CCCCC3)ccc21 ZINC000023858035 557376646 /nfs/dbraw/zinc/37/66/46/557376646.db2.gz IVRJEMQPWJNNHG-JOCHJYFZSA-N 0 1 442.510 3.239 50 10 IGCAMN COc1ccc(NC(=O)CSc2nc(-c3ccco3)nc3cc(=O)[nH]n32)cc1Cl ZINC000009641684 562974679 /nfs/dbraw/zinc/97/46/79/562974679.db2.gz CVKKEGICTNRPSR-UHFFFAOYSA-N 0 1 431.861 3.070 50 10 IGCAMN CN(C)c1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C(O)c2cccs2)cc1 ZINC000006160718 568848906 /nfs/dbraw/zinc/84/89/06/568848906.db2.gz OPRNKVGFEOBUFJ-ZQIUZPCESA-N 0 1 429.489 3.083 50 10 IGCAMN CCOc1ccccc1/C=C1/C(=O)NN(c2ccc(I)cc2)C1=O ZINC000016667728 568937085 /nfs/dbraw/zinc/93/70/85/568937085.db2.gz XRUVBWYKRLIONN-PTNGSMBKSA-N 0 1 434.233 3.151 50 10 IGCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/NN1CCCC[C@@H]1c1cccnc1 ZINC000009311167 569521782 /nfs/dbraw/zinc/52/17/82/569521782.db2.gz OQSBPJYHHGRUTH-VJSYINPZSA-N 0 1 441.944 3.098 50 10 IGCAMN O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=CNc1cccc(-c2ccc(CO)o2)c1 ZINC000009344507 569524005 /nfs/dbraw/zinc/52/40/05/569524005.db2.gz VNWAJPQDPARRSK-XSFVSMFZSA-N 0 1 431.448 3.056 50 10 IGCAMN COc1cccc(N2C(=O)C(=Cc3ccc(OC)c(OC)c3OC)C(=O)NC2=S)c1 ZINC000001243201 132240776 /nfs/dbraw/zinc/24/07/76/132240776.db2.gz JYTPXWBYWUZYDU-XNTDXEJSSA-N 0 1 428.466 3.393 50 10 IGCAMN Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000001130181 525084826 /nfs/dbraw/zinc/08/48/26/525084826.db2.gz SKDMUFFFHYSVIO-CPNJWEJPSA-N 0 1 441.940 3.316 50 10 IGCAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3F)N3CCCCC3)ccc21 ZINC000009138281 536397158 /nfs/dbraw/zinc/39/71/58/536397158.db2.gz KCCWKPVBAJHMLG-QHCPKHFHSA-N 0 1 438.547 3.490 50 10 IGCAMN COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)cc3Cl)C(=O)NC2=S)cc1 ZINC000009260357 536657173 /nfs/dbraw/zinc/65/71/73/536657173.db2.gz IALJDDFXVREYGJ-ZSOIEALJSA-N 0 1 432.885 3.197 50 10 IGCAMN CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)c(OC)c1 ZINC000015013394 556484463 /nfs/dbraw/zinc/48/44/63/556484463.db2.gz NLZBIYHFUFUAPT-UYRXBGFRSA-N 0 1 439.537 3.381 50 10 IGCAMN O=C(Cc1cc2ccccc2[nH]c1=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000089873021 569166394 /nfs/dbraw/zinc/16/63/94/569166394.db2.gz WVYYAUIWKIBPHH-LJQANCHMSA-N 0 1 425.916 3.210 50 10 IGCAMN O=C(Cc1cc2ccccc2[nH]c1=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000089873021 569166395 /nfs/dbraw/zinc/16/63/95/569166395.db2.gz WVYYAUIWKIBPHH-LJQANCHMSA-N 0 1 425.916 3.210 50 10 IGCAMN O=C(Cc1cc2ccccc2[nH]c1=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000089873021 569166396 /nfs/dbraw/zinc/16/63/96/569166396.db2.gz WVYYAUIWKIBPHH-LJQANCHMSA-N 0 1 425.916 3.210 50 10 IGCAMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C\c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000009264426 132311741 /nfs/dbraw/zinc/31/17/41/132311741.db2.gz CARJITBWCKHTHY-PDGQHHTCSA-N 0 1 436.424 3.356 50 10 IGCAMN COc1ccc(N2CCN(CCCNc3nc4ccccc4n4c(C)nnc34)CC2)cc1 ZINC000009405597 536697406 /nfs/dbraw/zinc/69/74/06/536697406.db2.gz IQFLJVCXBIQRFG-UHFFFAOYSA-N 0 1 431.544 3.219 50 10 IGCAMN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)N2CCN(C)CC2)cc1 ZINC000023080573 556997802 /nfs/dbraw/zinc/99/78/02/556997802.db2.gz LJCTVIWQCAMLMO-OAQYLSRUSA-N 0 1 434.506 3.490 50 10 IGCAMN COc1ccc(N2CCN(C[C@H](O)COCCOc3ccccc3C(C)C)CC2)cc1 ZINC000023224710 557116301 /nfs/dbraw/zinc/11/63/01/557116301.db2.gz RAWDFDKUMWAASR-QFIPXVFZSA-N 0 1 428.573 3.397 50 10 IGCAMN COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4C)C3)CC2)cc1 ZINC000248098708 568633853 /nfs/dbraw/zinc/63/38/53/568633853.db2.gz ZGMVTIRQWIVYLU-HXUWFJFHSA-N 0 1 447.583 3.143 50 10 IGCAMN CN(C)c1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C(O)c2cccs2)cc1 ZINC000006160675 568848609 /nfs/dbraw/zinc/84/86/09/568848609.db2.gz OPRNKVGFEOBUFJ-KEYYUXOJSA-N 0 1 429.489 3.083 50 10 IGCAMN COc1ccc(N2CCCN(CC(=O)N(C)Cc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000089355987 568921197 /nfs/dbraw/zinc/92/11/97/568921197.db2.gz JQJNZWWUDDPFOV-UHFFFAOYSA-N 0 1 433.499 3.467 50 10 IGCAMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(OC)c1OC ZINC000017094867 569173150 /nfs/dbraw/zinc/17/31/50/569173150.db2.gz GWYCMJBNFVELQW-DHDCSXOGSA-N 0 1 426.494 3.161 50 10 IGCAMN CN1CCc2cc([C@H](CNC(=O)C(=O)NCCC3=CCCCC3)N3CCCCC3)ccc21 ZINC000013007978 569306514 /nfs/dbraw/zinc/30/65/14/569306514.db2.gz VHSCLIKKWHVYMN-DEOSSOPVSA-N 0 1 438.616 3.329 50 10 IGCAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C ZINC000002977393 569433640 /nfs/dbraw/zinc/43/36/40/569433640.db2.gz YDJCSMMWTZAXLH-UHFFFAOYSA-N 0 1 444.871 3.173 50 10 IGCAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(N2CCOCC2)c1 ZINC000058142166 569448745 /nfs/dbraw/zinc/44/87/45/569448745.db2.gz VLFJCQLYKYVAFK-UHFFFAOYSA-N 0 1 441.347 3.485 50 10 IGCAMN COc1ccc(N2CCN(CCCNC(=O)Nc3cc(OC)ccc3OC)CC2)cc1 ZINC000006785748 536697326 /nfs/dbraw/zinc/69/73/26/536697326.db2.gz DYGSCRMKODUTJA-UHFFFAOYSA-N 0 1 428.533 3.046 50 10 IGCAMN O=C1NC(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C(=O)N1 ZINC000015011879 556483528 /nfs/dbraw/zinc/48/35/28/556483528.db2.gz OMLQLOPFHAOOJQ-UHFFFAOYSA-N 0 1 435.661 3.431 50 10 IGCAMN O=C(CSc1nc(-c2ccco2)nc2cc(=O)[nH]n21)Nc1ccccc1C(F)(F)F ZINC000015732622 568815670 /nfs/dbraw/zinc/81/56/70/568815670.db2.gz WHRIINXJWCOJMH-UHFFFAOYSA-N 0 1 435.387 3.427 50 10 IGCAMN O=C(Cc1cc2ccccc2[nH]c1=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000089873022 569166365 /nfs/dbraw/zinc/16/63/65/569166365.db2.gz WVYYAUIWKIBPHH-IBGZPJMESA-N 0 1 425.916 3.210 50 10 IGCAMN O=C(Cc1cc2ccccc2[nH]c1=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000089873022 569166366 /nfs/dbraw/zinc/16/63/66/569166366.db2.gz WVYYAUIWKIBPHH-IBGZPJMESA-N 0 1 425.916 3.210 50 10 IGCAMN O=C(Cc1cc2ccccc2[nH]c1=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000089873022 569166367 /nfs/dbraw/zinc/16/63/67/569166367.db2.gz WVYYAUIWKIBPHH-IBGZPJMESA-N 0 1 425.916 3.210 50 10 IGCAMN COc1ccc(C(=O)Oc2c(Cl)cc(C=C3C(=O)NC(=O)NC3=O)cc2OC)cc1 ZINC000002807471 569422739 /nfs/dbraw/zinc/42/27/39/569422739.db2.gz KDHPLQZJRRBHDA-UHFFFAOYSA-N 0 1 430.800 3.166 50 10 IGCAMN COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 ZINC000008801597 569476432 /nfs/dbraw/zinc/47/64/32/569476432.db2.gz OEURIJMSZMXLFL-QHCPKHFHSA-N 0 1 429.586 3.193 50 10 IGCAMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)NC2=S)cc1 ZINC000009308029 132231541 /nfs/dbraw/zinc/23/15/41/132231541.db2.gz NZWUEDHKKPCORM-RCCKNPSSSA-N 0 1 435.549 3.478 50 10 IGCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(N2CCCC2)o1 ZINC000006997572 132280211 /nfs/dbraw/zinc/28/02/11/132280211.db2.gz CUBJOGRDMDJPMI-PTNGSMBKSA-N 0 1 446.326 3.474 50 10 IGCAMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)c(Br)cc1O ZINC000009323532 132313709 /nfs/dbraw/zinc/31/37/09/132313709.db2.gz BMCSETFDYOVWPL-GHXNOFRVSA-N 0 1 447.310 3.303 50 10 IGCAMN CCOc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)NC2=S)c1 ZINC000009908227 132331606 /nfs/dbraw/zinc/33/16/06/132331606.db2.gz AYCQUYRNYRIGDV-XSFVSMFZSA-N 0 1 433.489 3.413 50 10 IGCAMN CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 ZINC000022733607 519778729 /nfs/dbraw/zinc/77/87/29/519778729.db2.gz VIBYUQKZLWHUJL-VWLOTQADSA-N 0 1 436.600 3.185 50 10 IGCAMN COc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000003005070 536656077 /nfs/dbraw/zinc/65/60/77/536656077.db2.gz UUTLJTZKFSDVTI-XNTDXEJSSA-N 0 1 432.299 3.201 50 10 IGCAMN CN(C)c1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C(O)c2cccs2)cc1 ZINC000011990810 556383864 /nfs/dbraw/zinc/38/38/64/556383864.db2.gz OPRNKVGFEOBUFJ-GRDNDAEWSA-N 0 1 429.489 3.083 50 10 IGCAMN COc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)c3ccccc3)c(O)cc2C)cc1 ZINC000003620758 562936861 /nfs/dbraw/zinc/93/68/61/562936861.db2.gz UDHZEAXIQZFASG-UHFFFAOYSA-N 0 1 433.507 3.343 50 10 IGCAMN O=C1NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C(=O)N1 ZINC000001191930 568736658 /nfs/dbraw/zinc/73/66/58/568736658.db2.gz WSVSYISTWYQOFL-UHFFFAOYSA-N 0 1 437.253 3.051 50 10 IGCAMN CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)N3CCCCC3)ccc21 ZINC000013007991 569306469 /nfs/dbraw/zinc/30/64/69/569306469.db2.gz DJLKPSPTBPHKBO-JOCHJYFZSA-N 0 1 442.510 3.239 50 10 IGCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc2c(cc1Br)OCO2 ZINC000009259404 132311423 /nfs/dbraw/zinc/31/14/23/132311423.db2.gz BBLSKVRPWXDVSO-LFYBBSHMSA-N 0 1 449.257 3.148 50 10 IGCAMN CN(C)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000009311659 132313422 /nfs/dbraw/zinc/31/34/22/132313422.db2.gz NZCZIQLDHULBOM-ZROIWOOFSA-N 0 1 448.317 3.486 50 10 IGCAMN CCOc1ccccc1NC(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 ZINC000035597261 521540248 /nfs/dbraw/zinc/54/02/48/521540248.db2.gz COTOECLHOCQZGZ-QHCPKHFHSA-N 0 1 437.588 3.188 50 10 IGCAMN CCCn1c(=O)[nH]nc1S[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000021119783 521633374 /nfs/dbraw/zinc/63/33/74/521633374.db2.gz VVHSWNVEIXJMOI-GFCCVEGCSA-N 0 1 436.493 3.288 50 10 IGCAMN COc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000008809634 536657532 /nfs/dbraw/zinc/65/75/32/536657532.db2.gz VWTXXDOJFJSALM-XNTDXEJSSA-N 0 1 426.454 3.341 50 10 IGCAMN O=S(=O)([N-]c1ccc(N2CC[NH+](Cc3ccccc3O)CC2)nc1)c1ccc(F)cc1 ZINC000034682160 555815932 /nfs/dbraw/zinc/81/59/32/555815932.db2.gz QQUMDWYFCCKTIA-UHFFFAOYSA-N 0 1 442.516 3.049 50 10 IGCAMN CC[C@H](C)c1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2OC)cc1 ZINC000002930095 556150135 /nfs/dbraw/zinc/15/01/35/556150135.db2.gz BSOOHRPPJWXAEV-HNNXBMFYSA-N 0 1 438.480 3.416 50 10 IGCAMN COc1ccc(OC)c(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c1 ZINC000015012995 556484059 /nfs/dbraw/zinc/48/40/59/556484059.db2.gz LTPFZMJFGPRXCP-GDNBJRDFSA-N 0 1 447.310 3.298 50 10 IGCAMN COc1cccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)c1 ZINC000013606962 556532991 /nfs/dbraw/zinc/53/29/91/556532991.db2.gz BFBGPABPSVARAL-PXNMLYILSA-N 0 1 445.478 3.149 50 10 IGCAMN CN(C)c1ccc([C@H](CNC(=O)c2cccc(Br)c2)N2CCN(C)CC2)cc1 ZINC000023080550 556997906 /nfs/dbraw/zinc/99/79/06/556997906.db2.gz WWGYGMRJPDVXDL-NRFANRHFSA-N 0 1 445.405 3.234 50 10 IGCAMN CN(C)c1ccc([C@H](CNC(=O)c2ccc(Br)cc2)N2CCN(C)CC2)cc1 ZINC000023080553 556997945 /nfs/dbraw/zinc/99/79/45/556997945.db2.gz DGHYIMVFDAHAEG-NRFANRHFSA-N 0 1 445.405 3.234 50 10 IGCAMN O=C1NC(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)N1 ZINC000002964914 557134506 /nfs/dbraw/zinc/13/45/06/557134506.db2.gz DCEDFUSTAGYFFJ-UHFFFAOYSA-N 0 1 435.661 3.431 50 10 IGCAMN COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)cc1 ZINC000002091750 569178689 /nfs/dbraw/zinc/17/86/89/569178689.db2.gz UNYJANFBGVUIQP-XJAVGTOASA-N 0 1 440.584 3.102 50 10 IGCAMN COC(=O)c1[nH]c2ccccc2c1C=C1C(=O)NC(=O)N(Cc2ccc(OC)cc2)C1=O ZINC000096562400 569401134 /nfs/dbraw/zinc/40/11/34/569401134.db2.gz AMSSMYFXAHDBDD-GZTJUZNOSA-N 0 1 433.420 3.465 50 10 IGCAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1 ZINC000002977690 569433670 /nfs/dbraw/zinc/43/36/70/569433670.db2.gz GTKFWPGQZBPARV-UHFFFAOYSA-N 0 1 444.871 3.254 50 10 IGCAMN CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)N2CCCC2)cc1 ZINC000010188287 569578876 /nfs/dbraw/zinc/57/88/76/569578876.db2.gz MDXQEJBNXBXPRT-FQEVSTJZSA-N 0 1 432.927 3.437 50 10 IGCAMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(I)o2)C(=O)NC1=S ZINC000001211605 132239800 /nfs/dbraw/zinc/23/98/00/132239800.db2.gz QCUXYXIDIXWRHA-DHZHZOJOSA-N 0 1 438.246 3.024 50 10 IGCAMN CCOc1ccccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 ZINC000022418619 521543136 /nfs/dbraw/zinc/54/31/36/521543136.db2.gz OVDMWXCMWQYSMN-JOCHJYFZSA-N 0 1 425.577 3.262 50 10 IGCAMN CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000022135478 522130591 /nfs/dbraw/zinc/13/05/91/522130591.db2.gz BFUCBUZNGVOYKQ-LFIBNONCSA-N 0 1 430.327 3.346 50 10 IGCAMN CN1CCc2cc([C@H](CNC(=O)c3cccc(C(F)(F)F)c3)N3CCN(C)CC3)ccc21 ZINC000022733627 523999601 /nfs/dbraw/zinc/99/96/01/523999601.db2.gz VDFATFVHQQMYOW-QFIPXVFZSA-N 0 1 446.517 3.416 50 10 IGCAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(F)c3)N3CCCCC3)ccc21 ZINC000009138313 536397765 /nfs/dbraw/zinc/39/77/65/536397765.db2.gz KJYSYAKBOFMAAZ-QHCPKHFHSA-N 0 1 438.547 3.490 50 10 IGCAMN CN1C(=O)NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2F)C1=O ZINC000001097474 568658772 /nfs/dbraw/zinc/65/87/72/568658772.db2.gz NRZLVHQPQOPNOF-NTEUORMPSA-N 0 1 433.233 3.259 50 10 IGCAMN COc1ccc(S(=O)(=O)c2cc(NS(=O)(=O)c3ccccc3)c(C)cc2O)cc1 ZINC000003620765 568751818 /nfs/dbraw/zinc/75/18/18/568751818.db2.gz JVZAVKIHNDMAIZ-UHFFFAOYSA-N 0 1 433.507 3.343 50 10 IGCAMN Cc1cc(C)cc(OCCn2cccc2/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c1 ZINC000009076129 569500306 /nfs/dbraw/zinc/50/03/06/569500306.db2.gz LQYKSISIZQIEAG-STZFKDTASA-N 0 1 433.464 3.439 50 10 IGCAMN CCOc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(=O)NC2=S)cc1 ZINC000001176868 132238450 /nfs/dbraw/zinc/23/84/50/132238450.db2.gz FXWDYWRYJZXMGR-NBVRZTHBSA-N 0 1 425.510 3.500 50 10 IGCAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3)N3CCCCC3)ccc21 ZINC000009138024 132306474 /nfs/dbraw/zinc/30/64/74/132306474.db2.gz FPBHMEZGQHEGAH-XMMPIXPASA-N 0 1 434.584 3.029 50 10 IGCAMN CN1CCc2cc([C@@H](CNC(=O)c3ccc(C(F)(F)F)cc3)N3CCN(C)CC3)ccc21 ZINC000022733647 523998525 /nfs/dbraw/zinc/99/85/25/523998525.db2.gz YSYWMTVUGSVVBU-JOCHJYFZSA-N 0 1 446.517 3.416 50 10 IGCAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)NC3CCCCCC3)N3CCCC3)ccc21 ZINC000009135647 536397769 /nfs/dbraw/zinc/39/77/69/536397769.db2.gz SSLNSTLBLJSGNY-QHCPKHFHSA-N 0 1 426.605 3.161 50 10 IGCAMN CN(C)c1ccc([C@H](CNC(=O)c2ccccc2Br)N2CCN(C)CC2)cc1 ZINC000023080559 556997882 /nfs/dbraw/zinc/99/78/82/556997882.db2.gz PZMZCDTWRKFNGM-NRFANRHFSA-N 0 1 445.405 3.234 50 10 IGCAMN COc1cc(CNC=C2C(=O)NC(=S)N(c3cccc4ccccc43)C2=O)cc(OC)c1 ZINC000101048378 557216108 /nfs/dbraw/zinc/21/61/08/557216108.db2.gz CXYDPOZLNLGOSU-ZHZULCJRSA-N 0 1 447.516 3.278 50 10 IGCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 ZINC000009311382 132313345 /nfs/dbraw/zinc/31/33/45/132313345.db2.gz AWPMULKDCYLTJP-YHYXMXQVSA-N 0 1 449.257 3.148 50 10 IGCAMN CCCc1nc(SC)ncc1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000020931892 521534124 /nfs/dbraw/zinc/53/41/24/521534124.db2.gz JVGBIYNUPDVRFI-UHFFFAOYSA-N 0 1 443.617 3.102 50 10 IGCAMN COc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4ccc5nccnc5c4)C3)CC2)cc1 ZINC000095524141 557157977 /nfs/dbraw/zinc/15/79/77/557157977.db2.gz CCIFBRQFNZYBOT-OAQYLSRUSA-N 0 1 431.540 3.065 50 10 IGCAMN NC(=O)C1CCN(c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)CC1 ZINC000078869144 569319460 /nfs/dbraw/zinc/31/94/60/569319460.db2.gz MYIFDVZWVNQMRT-UHFFFAOYSA-N 0 1 427.448 3.208 50 10 IGCAMN COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCC1 ZINC000008801038 569476440 /nfs/dbraw/zinc/47/64/40/569476440.db2.gz QKBRJUALQCXBSJ-QFIPXVFZSA-N 0 1 443.613 3.420 50 10 IGCAMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1O ZINC000000716419 132229570 /nfs/dbraw/zinc/22/95/70/132229570.db2.gz BAVSZYYABVGSQU-NTUHNPAUSA-N 0 1 447.310 3.303 50 10 IGCAMN COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2cc(C)cc(C)c2)C1=O ZINC000001146571 132237479 /nfs/dbraw/zinc/23/74/79/132237479.db2.gz YQSGGMFIXOWMTI-CXUHLZMHSA-N 0 1 426.494 3.161 50 10 IGCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)o1 ZINC000001180291 132238698 /nfs/dbraw/zinc/23/86/98/132238698.db2.gz CUBJOGRDMDJPMI-RVDMUPIBSA-N 0 1 446.326 3.474 50 10 IGCAMN CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 ZINC000022733604 519778779 /nfs/dbraw/zinc/77/87/79/519778779.db2.gz VIBYUQKZLWHUJL-RUZDIDTESA-N 0 1 436.600 3.185 50 10 IGCAMN COc1ccc(N2C(=O)/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000009260343 536658596 /nfs/dbraw/zinc/65/85/96/536658596.db2.gz DUEXXGKDBQSAFY-UYRXBGFRSA-N 0 1 448.460 3.225 50 10 IGCAMN CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)c(O)c1 ZINC000013774050 556306660 /nfs/dbraw/zinc/30/66/60/556306660.db2.gz WNACDFXHAPCNNI-UYRXBGFRSA-N 0 1 425.460 3.082 50 10 IGCAMN CCOc1cccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(OC)c3)C(=O)NC2=S)c1 ZINC000000852829 556721991 /nfs/dbraw/zinc/72/19/91/556721991.db2.gz IGJRLZQHZGJYBV-VGOFMYFVSA-N 0 1 432.885 3.284 50 10 IGCAMN CCC(=O)NCCc1c(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)[nH]c2ccccc21 ZINC000017205958 521171472 /nfs/dbraw/zinc/17/14/72/521171472.db2.gz HLWNZVQSILWUNI-JXAWBTAJSA-N 0 1 436.512 3.236 50 10 IGCAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(-c4cc5ccccc5oc4=O)cc(=O)oc32)CC1 ZINC000020605039 521687133 /nfs/dbraw/zinc/68/71/33/521687133.db2.gz HQQDLZIYDGKGOC-UHFFFAOYSA-N 0 1 432.476 3.410 50 10 IGCAMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(Br)cc1O ZINC000012630213 521962046 /nfs/dbraw/zinc/96/20/46/521962046.db2.gz BMCSETFDYOVWPL-KPKJPENVSA-N 0 1 447.310 3.303 50 10 IGCAMN C[N@H+]([C@H]1CCOC1)C1CCN(c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC000012246700 523629683 /nfs/dbraw/zinc/62/96/83/523629683.db2.gz OPWZMBSXVMVMJD-NRFANRHFSA-N 0 1 433.549 3.316 50 10 IGCAMN C[N@@H+]([C@H]1CCOC1)C1CCN(c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC000012246700 523629693 /nfs/dbraw/zinc/62/96/93/523629693.db2.gz OPWZMBSXVMVMJD-NRFANRHFSA-N 0 1 433.549 3.316 50 10 IGCAMN CC[C@@H](C)c1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2OC)cc1 ZINC000002930092 556150067 /nfs/dbraw/zinc/15/00/67/556150067.db2.gz BSOOHRPPJWXAEV-OAHLLOKOSA-N 0 1 438.480 3.416 50 10 IGCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(OC)c1OC ZINC000015219001 556511706 /nfs/dbraw/zinc/51/17/06/556511706.db2.gz GGAQSFAWXZSNLV-GXDHUFHOSA-N 0 1 432.885 3.197 50 10 IGCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000016427959 568900777 /nfs/dbraw/zinc/90/07/77/568900777.db2.gz MNKPVBQBPSHEPR-NTUHNPAUSA-N 0 1 431.267 3.009 50 10 IGCAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3F)N3CCCCC3)ccc21 ZINC000009138278 132227040 /nfs/dbraw/zinc/22/70/40/132227040.db2.gz KCCWKPVBAJHMLG-HSZRJFAPSA-N 0 1 438.547 3.490 50 10 IGCAMN CN(C)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000001206851 132239635 /nfs/dbraw/zinc/23/96/35/132239635.db2.gz BFUCBUZNGVOYKQ-WJDWOHSUSA-N 0 1 430.327 3.346 50 10 IGCAMN CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)NC(=O)NC2=O)cc1 ZINC000001174885 519761943 /nfs/dbraw/zinc/76/19/43/519761943.db2.gz IUQZQSTZXITQBA-UHFFFAOYSA-N 0 1 430.464 3.324 50 10 IGCAMN COc1ccc(NC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 ZINC000035597188 524566325 /nfs/dbraw/zinc/56/63/25/524566325.db2.gz AODLJNGNQMFPTH-XMMPIXPASA-N 0 1 437.588 3.188 50 10 IGCAMN Cc1nonc1CNC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)CN1Cc1ccccc1O ZINC000011839444 556364345 /nfs/dbraw/zinc/36/43/45/556364345.db2.gz HBRQWJRHQBBYEZ-QUCCMNQESA-N 0 1 442.516 3.274 50 10 IGCAMN COc1ccc(C(=O)Oc2ccc(Br)cc2C=C2C(=O)NC(=O)NC2=O)cc1 ZINC000001176246 557120056 /nfs/dbraw/zinc/12/00/56/557120056.db2.gz AUFQSIFLWXWEOY-UHFFFAOYSA-N 0 1 445.225 3.267 50 10 IGCAMN COc1ccc(N2CCN(CCCNC(=O)c3[nH]nc4c3CCc3ccccc3-4)CC2)cc1 ZINC000015772806 568822814 /nfs/dbraw/zinc/82/28/14/568822814.db2.gz ALIHTEHMGQMAOV-UHFFFAOYSA-N 0 1 445.567 3.126 50 10 IGCAMN COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)CC2)cc1 ZINC000002091748 569178724 /nfs/dbraw/zinc/17/87/24/569178724.db2.gz UNYJANFBGVUIQP-MQBMDEIXSA-N 0 1 440.584 3.102 50 10 IGCAMN Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(I)cc1 ZINC000008915121 569485520 /nfs/dbraw/zinc/48/55/20/569485520.db2.gz FQEIAADQOJGQDI-UHFFFAOYSA-N 0 1 435.221 3.288 50 10 IGCAMN Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Br)OCO4)C(=O)NC2=S)cc1 ZINC000001186965 132239074 /nfs/dbraw/zinc/23/90/74/132239074.db2.gz GBTMPTJTDQQPAK-AWNIVKPZSA-N 0 1 445.294 3.318 50 10 IGCAMN Cc1ccc(N2C(=O)/C(=C/c3ccc(I)o3)C(=O)NC2=S)cc1 ZINC000001195462 132239257 /nfs/dbraw/zinc/23/92/57/132239257.db2.gz SJVRAWOWWCQRFI-XYOKQWHBSA-N 0 1 438.246 3.024 50 10 IGCAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCC3)N3CCCCC3)ccc21 ZINC000009138111 132306658 /nfs/dbraw/zinc/30/66/58/132306658.db2.gz RXJMKYVIWWVUHM-HSZRJFAPSA-N 0 1 426.605 3.161 50 10 IGCAMN CC(=O)Nc1ccc(NC=C2C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000009310070 132313325 /nfs/dbraw/zinc/31/33/25/132313325.db2.gz ACNWDPBWQYQGJI-MHWRWJLKSA-N 0 1 448.426 3.408 50 10 IGCAMN CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)NC(=O)NC2=O)c(C)c1 ZINC000002672356 556118366 /nfs/dbraw/zinc/11/83/66/556118366.db2.gz NSNYAHNNJARGEG-UHFFFAOYSA-N 0 1 430.464 3.386 50 10 IGCAMN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)N2CCN(C)CC2)cc1 ZINC000023080539 556997844 /nfs/dbraw/zinc/99/78/44/556997844.db2.gz KVTGZCDABHUVFV-OAQYLSRUSA-N 0 1 434.506 3.490 50 10 IGCAMN CN(C)c1ccc([C@H](CNC(=O)c2cccc(C(F)(F)F)c2)N2CCN(C)CC2)cc1 ZINC000023080537 556997985 /nfs/dbraw/zinc/99/79/85/556997985.db2.gz KVTGZCDABHUVFV-NRFANRHFSA-N 0 1 434.506 3.490 50 10 IGCAMN COc1cc(N2CCOCC2)ccc1C=C1C(=O)NC(=S)N(c2ccc(F)cc2)C1=O ZINC000033314325 557099015 /nfs/dbraw/zinc/09/90/15/557099015.db2.gz PGNSHBFWHWPBRK-PDGQHHTCSA-N 0 1 441.484 3.343 50 10 IGCAMN COc1cc(N2CCOCC2)ccc1C=C1C(=O)NC(=O)N(Cc2cccs2)C1=O ZINC000033314283 557099046 /nfs/dbraw/zinc/09/90/46/557099046.db2.gz VUJJROIHZYNHNT-BOPFTXTBSA-N 0 1 427.482 3.096 50 10 IGCAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccccc1C ZINC000001169259 568683718 /nfs/dbraw/zinc/68/37/18/568683718.db2.gz YJHSQTXOTWMRGR-UHFFFAOYSA-N 0 1 445.269 3.095 50 10 IGCAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1F ZINC000013008017 569306407 /nfs/dbraw/zinc/30/64/07/569306407.db2.gz CYUTZAJGDSDWQT-QHCPKHFHSA-N 0 1 438.547 3.408 50 10 IGCAMN CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(Br)cc2)N(C)C)cc1 ZINC000009526966 569544592 /nfs/dbraw/zinc/54/45/92/569544592.db2.gz MESKLDPKGGMCCG-GOSISDBHSA-N 0 1 426.380 3.096 50 10 IGCAMN CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)N2CCCC2)cc1 ZINC000010188286 569578867 /nfs/dbraw/zinc/57/88/67/569578867.db2.gz MDXQEJBNXBXPRT-HXUWFJFHSA-N 0 1 432.927 3.437 50 10 IGCAMN CCC(=O)NCCc1c(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)[nH]c2ccccc21 ZINC000002405937 132253966 /nfs/dbraw/zinc/25/39/66/132253966.db2.gz RUGVLYHYXUHCLY-JXAWBTAJSA-N 0 1 446.532 3.068 50 10 IGCAMN CCOc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 ZINC000022734822 520909301 /nfs/dbraw/zinc/90/93/01/520909301.db2.gz UOKHJLSAFBWDHJ-VWLOTQADSA-N 0 1 436.600 3.186 50 10 IGCAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)NCCc3ccccc3)N3CCCCC3)ccc21 ZINC000009138406 536397281 /nfs/dbraw/zinc/39/72/81/536397281.db2.gz NLZDHBXIWHJGTI-VWLOTQADSA-N 0 1 448.611 3.071 50 10 IGCAMN CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)NC(=O)NC2=O)cc1C ZINC000002665885 556119981 /nfs/dbraw/zinc/11/99/81/556119981.db2.gz KSUZNOUCCIJRPY-UHFFFAOYSA-N 0 1 430.464 3.386 50 10 IGCAMN O=C1C(=CNCCCN2CCOCC2)C(c2ccccc2)=NN1c1nc2ccccc2s1 ZINC000100567648 556621230 /nfs/dbraw/zinc/62/12/30/556621230.db2.gz AWDHLHKMBHDSLE-HTXNQAPBSA-N 0 1 447.564 3.243 50 10 IGCAMN COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O ZINC000016183211 557470457 /nfs/dbraw/zinc/47/04/57/557470457.db2.gz ALKVMYXDORCTSX-LFIBNONCSA-N 0 1 447.260 3.301 50 10 IGCAMN CCN(CC)c1ccc(/C=C2\C(=O)NN(c3ccc(Br)cc3)C2=O)c(O)c1 ZINC000001197774 568736744 /nfs/dbraw/zinc/73/67/44/568736744.db2.gz IDBBSKKQAKOKCL-GZTJUZNOSA-N 0 1 430.302 3.462 50 10 IGCAMN CCCn1ncc2c1nc(C1CC1)cc2C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000036616240 569122786 /nfs/dbraw/zinc/12/27/86/569122786.db2.gz XSBAEHPIGBLQDZ-UHFFFAOYSA-N 0 1 432.572 3.401 50 10 IGCAMN Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1ccc2c(c1)C(=O)NC2=O ZINC000095471606 569372046 /nfs/dbraw/zinc/37/20/46/569372046.db2.gz RLOOQTNLXUKURQ-SXGWCWSVSA-N 0 1 439.269 3.360 50 10 IGCAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)N3CCCC3)ccc21 ZINC000009135601 132227335 /nfs/dbraw/zinc/22/73/35/132227335.db2.gz QQTLLSHDQDMUSS-JOCHJYFZSA-N 0 1 442.510 3.239 50 10 IGCAMN Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 ZINC000009138050 132306419 /nfs/dbraw/zinc/30/64/19/132306419.db2.gz XJCZJYGWJVDVLN-RUZDIDTESA-N 0 1 448.611 3.337 50 10 IGCAMN O=C(NN1C(=O)/C(=C\c2ccc(N3CCOCC3)cc2)SC1=S)c1cccs1 ZINC000009232360 132310114 /nfs/dbraw/zinc/31/01/14/132310114.db2.gz SXPKWOQZKBXMCT-FOWTUZBSSA-N 0 1 431.564 3.131 50 10 IGCAMN COc1ccc([C@H](CNC(=O)N2CCN(c3ccc(OC)cc3)CC2)N2CCCC2)cc1 ZINC000009469219 132318691 /nfs/dbraw/zinc/31/86/91/132318691.db2.gz NLPHMQUSHFRNAR-DEOSSOPVSA-N 0 1 438.572 3.373 50 10 IGCAMN CCOc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 ZINC000022418621 521540941 /nfs/dbraw/zinc/54/09/41/521540941.db2.gz OVDMWXCMWQYSMN-QFIPXVFZSA-N 0 1 425.577 3.262 50 10 IGCAMN COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000001083089 522019175 /nfs/dbraw/zinc/01/91/75/522019175.db2.gz JXOOOWUEHUERNI-MDWZMJQESA-N 0 1 447.310 3.298 50 10 IGCAMN CN1CCN([C@@H](CNC(=O)c2ccc(Cl)cc2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022734715 523918186 /nfs/dbraw/zinc/91/81/86/523918186.db2.gz ZVLSBUAKGPYVFQ-QHCPKHFHSA-N 0 1 426.992 3.441 50 10 IGCAMN CN1CCc2cc([C@@H](CNC(=O)c3c(F)cccc3Cl)N3CCN(C)CC3)ccc21 ZINC000022733675 523998160 /nfs/dbraw/zinc/99/81/60/523998160.db2.gz SPZCCYIAFFZONO-OAQYLSRUSA-N 0 1 430.955 3.190 50 10 IGCAMN COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000006785743 536696918 /nfs/dbraw/zinc/69/69/18/536696918.db2.gz HSQQRWOBCCUBKX-UHFFFAOYSA-N 0 1 428.533 3.046 50 10 IGCAMN CSc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 ZINC000008964074 569491133 /nfs/dbraw/zinc/49/11/33/569491133.db2.gz FBKYKCUCCBPHRK-QFIPXVFZSA-N 0 1 438.597 3.293 50 10 IGCAMN CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCC1 ZINC000008964094 569491135 /nfs/dbraw/zinc/49/11/35/569491135.db2.gz XCXIZVHPBJVCHO-NRFANRHFSA-N 0 1 438.597 3.293 50 10 IGCAMN COc1cccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c1OC ZINC000001184324 132238874 /nfs/dbraw/zinc/23/88/74/132238874.db2.gz JDCJNEXJJAGVLA-UVTDQMKNSA-N 0 1 447.310 3.298 50 10 IGCAMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccnc3)c2C)C(=O)NC1=S ZINC000008430310 132281735 /nfs/dbraw/zinc/28/17/35/132281735.db2.gz BNCKEZZTVLWPMG-LDADJPATSA-N 0 1 432.505 3.329 50 10 IGCAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCCC3)N3CCCC3)ccc21 ZINC000009135645 132306245 /nfs/dbraw/zinc/30/62/45/132306245.db2.gz SSLNSTLBLJSGNY-HSZRJFAPSA-N 0 1 426.605 3.161 50 10 IGCAMN CCOC(=O)c1cc(NS(=O)(=O)c2cccc3nonc32)ccc1N1CCCCC1 ZINC000001032613 521443803 /nfs/dbraw/zinc/44/38/03/521443803.db2.gz OGUBRLKYHFSEPA-UHFFFAOYSA-N 0 1 430.486 3.191 50 10 IGCAMN CN1CCN([C@@H](CNC(=O)c2cccc(Cl)c2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022734813 523918483 /nfs/dbraw/zinc/91/84/83/523918483.db2.gz OOXZTIATOPOAHG-QHCPKHFHSA-N 0 1 426.992 3.441 50 10 IGCAMN CN1CCN([C@H](CNC(=O)c2ccc(Cl)cc2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022734718 523922371 /nfs/dbraw/zinc/92/23/71/523922371.db2.gz ZVLSBUAKGPYVFQ-HSZRJFAPSA-N 0 1 426.992 3.441 50 10 IGCAMN COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)CC2)cc1 ZINC000070680471 524426437 /nfs/dbraw/zinc/42/64/37/524426437.db2.gz UNYJANFBGVUIQP-LVDFLNIKSA-N 0 1 440.584 3.102 50 10 IGCAMN CN1CCN(c2ccc(CNS(=O)(=O)Cc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000008649547 536421528 /nfs/dbraw/zinc/42/15/28/536421528.db2.gz OFVWSPCLLUQQII-UHFFFAOYSA-N 0 1 427.492 3.077 50 10 IGCAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000001182452 555672485 /nfs/dbraw/zinc/67/24/85/555672485.db2.gz URDQIXLWPZIQIG-UHFFFAOYSA-N 0 1 445.269 3.095 50 10 IGCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cccn1CCOc1ccc(Cl)cc1 ZINC000013496679 556612843 /nfs/dbraw/zinc/61/28/43/556612843.db2.gz DFFQMJNCLRAKKZ-UYRXBGFRSA-N 0 1 439.855 3.476 50 10 IGCAMN COc1cc(N2Cc3ccccc3C2)ccc1/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O ZINC000002970787 569433424 /nfs/dbraw/zinc/43/34/24/569433424.db2.gz OUYXQNDVJSWAHB-SRZZPIQSSA-N 0 1 443.459 3.470 50 10 IGCAMN Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c(C)c1 ZINC000008964167 569491127 /nfs/dbraw/zinc/49/11/27/569491127.db2.gz DEALPJQLLCGPRX-QHCPKHFHSA-N 0 1 434.584 3.496 50 10 IGCAMN CSc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 ZINC000008964073 569491169 /nfs/dbraw/zinc/49/11/69/569491169.db2.gz FBKYKCUCCBPHRK-JOCHJYFZSA-N 0 1 438.597 3.293 50 10 IGCAMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)c(OC)c1 ZINC000002878743 132258024 /nfs/dbraw/zinc/25/80/24/132258024.db2.gz NLZBIYHFUFUAPT-CPNJWEJPSA-N 0 1 439.537 3.381 50 10 IGCAMN CCN(C)c1ccc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)cc1 ZINC000000659631 555526380 /nfs/dbraw/zinc/52/63/80/555526380.db2.gz WHQUQPFCGZWLPX-SFQUDFHCSA-N 0 1 447.276 3.209 50 10 IGCAMN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](Cc2c([O-])c(Cl)cc3c4c(c(=O)oc32)CCC4)C1 ZINC000409414778 556640196 /nfs/dbraw/zinc/64/01/96/556640196.db2.gz WSEPHJVXWWNEQT-KGLIPLIRSA-N 0 1 438.911 3.422 50 10 IGCAMN CCN1C(=O)NC(=O)/C(=C\c2cn(CCOc3ccc(OC)cc3)c3ccccc23)C1=O ZINC000002313461 569273076 /nfs/dbraw/zinc/27/30/76/569273076.db2.gz KRWDCTYCTCHQNO-XSFVSMFZSA-N 0 1 433.464 3.211 50 10 IGCAMN CCOC(=O)c1ccc(NC=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000003004344 132260294 /nfs/dbraw/zinc/26/02/94/132260294.db2.gz QVEAWPPLISLRTO-WJDWOHSUSA-N 0 1 429.885 3.260 50 10 IGCAMN CN(C)c1ccc([C@H](CNC(=O)COc2ccc3ccccc3c2)N2CCN(C)CC2)cc1 ZINC000022664958 522246972 /nfs/dbraw/zinc/24/69/72/522246972.db2.gz UEJFSXIZCUJVFF-SANMLTNESA-N 0 1 446.595 3.390 50 10 IGCAMN CN1CCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCCC3)N3CCCCC3)ccc21 ZINC000023858052 523996549 /nfs/dbraw/zinc/99/65/49/523996549.db2.gz USHAJMOOGAOJHE-HSZRJFAPSA-N 0 1 426.605 3.161 50 10 IGCAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3cccs3)N3CCCCC3)ccc21 ZINC000009138253 536397569 /nfs/dbraw/zinc/39/75/69/536397569.db2.gz MCSBBWDBWZLFBZ-QFIPXVFZSA-N 0 1 440.613 3.090 50 10 IGCAMN COc1ccc(N2CCN(C[C@@H](O)COCCOc3ccccc3C(C)C)CC2)cc1 ZINC000023224709 557116357 /nfs/dbraw/zinc/11/63/57/557116357.db2.gz RAWDFDKUMWAASR-JOCHJYFZSA-N 0 1 428.573 3.397 50 10 IGCAMN COc1ccc(N2CCN(Cc3coc(=O)c(C[NH+]4CCCCCC4)c3[O-])CC2)cc1 ZINC000101374599 557281155 /nfs/dbraw/zinc/28/11/55/557281155.db2.gz FUKRZMUXCNVEFS-UHFFFAOYSA-N 0 1 427.545 3.052 50 10 IGCAMN COc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccccc3)c2)cc1 ZINC000003620716 562936868 /nfs/dbraw/zinc/93/68/68/562936868.db2.gz HKDMOZFCKKPGOC-UHFFFAOYSA-N 0 1 433.507 3.343 50 10 IGCAMN CCOc1ccccc1/C=C1\C(=O)NN(c2ccc(I)cc2)C1=O ZINC000001022719 568653134 /nfs/dbraw/zinc/65/31/34/568653134.db2.gz XRUVBWYKRLIONN-RVDMUPIBSA-N 0 1 434.233 3.151 50 10 IGCAMN CCOC(=O)c1c(CN(C)C)n(C)c2cc(-c3ccncc3)c(O)c(Cn3ccnc3)c21 ZINC000085393616 568817304 /nfs/dbraw/zinc/81/73/04/568817304.db2.gz YFVGEPNUDFLFAR-UHFFFAOYSA-N 0 1 433.512 3.429 50 10 IGCAMN CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c(O)c3oc1c2-c1ccc(OCC(N)=O)cc1 ZINC000085875659 568838130 /nfs/dbraw/zinc/83/81/30/568838130.db2.gz XBQCTIZHGZLVKW-UHFFFAOYSA-N 0 1 448.435 3.147 50 10 IGCAMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccc1 ZINC000096234411 569387884 /nfs/dbraw/zinc/38/78/84/569387884.db2.gz JZVXQEFJQLRMDT-UDWIEESQSA-N 0 1 443.459 3.485 50 10 IGCAMN COc1ccc(CCS(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 ZINC000038636101 569465130 /nfs/dbraw/zinc/46/51/30/569465130.db2.gz XCOOCISZXBVLEG-HSZRJFAPSA-N 0 1 431.602 3.060 50 10 IGCAMN CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3Cl)N3CCCC3)ccc21 ZINC000008964183 569491177 /nfs/dbraw/zinc/49/11/77/569491177.db2.gz SUFJAMKWRLGEDV-OAQYLSRUSA-N 0 1 426.948 3.224 50 10 IGCAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3cccs3)N3CCCCC3)ccc21 ZINC000009138247 132227017 /nfs/dbraw/zinc/22/70/17/132227017.db2.gz MCSBBWDBWZLFBZ-JOCHJYFZSA-N 0 1 440.613 3.090 50 10 IGCAMN COc1ccccc1N1C(=O)C(=Cc2ccc(OC)c(OC)c2OC)C(=O)NC1=S ZINC000001828990 132247154 /nfs/dbraw/zinc/24/71/54/132247154.db2.gz ABHSGJDPOYIWAH-ACCUITESSA-N 0 1 428.466 3.393 50 10 IGCAMN Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 ZINC000009138047 132306343 /nfs/dbraw/zinc/30/63/43/132306343.db2.gz XJCZJYGWJVDVLN-VWLOTQADSA-N 0 1 448.611 3.337 50 10 IGCAMN COC(=O)Cn1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c2ccccc21 ZINC000009311799 132313410 /nfs/dbraw/zinc/31/34/10/132313410.db2.gz XAUZMEPBLPIEQF-ODLFYWEKSA-N 0 1 447.516 3.262 50 10 IGCAMN CN(C)c1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)N2CCN(C)CC2)cc1 ZINC000022664983 522241310 /nfs/dbraw/zinc/24/13/10/522241310.db2.gz UDABMIFVAPJKOU-OAQYLSRUSA-N 0 1 445.951 3.033 50 10 IGCAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)NCCC3=CCCCC3)N3CCCC3)ccc21 ZINC000009135577 536397380 /nfs/dbraw/zinc/39/73/80/536397380.db2.gz UIHFNHITQAVUJX-DEOSSOPVSA-N 0 1 438.616 3.329 50 10 IGCAMN COc1cccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)c1 ZINC000009444567 556292124 /nfs/dbraw/zinc/29/21/24/556292124.db2.gz BFBGPABPSVARAL-LZYBPNLTSA-N 0 1 445.478 3.149 50 10 IGCAMN CCN(CC)c1ccc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)c(O)c1 ZINC000013810400 556311857 /nfs/dbraw/zinc/31/18/57/556311857.db2.gz DHNUWJLJPHYMTN-YVLHZVERSA-N 0 1 430.302 3.462 50 10 IGCAMN O=C(CN1CCN(C2CCCCC2)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000019875082 556935838 /nfs/dbraw/zinc/93/58/38/556935838.db2.gz YRLGCHFDBKFRSS-UHFFFAOYSA-N 0 1 431.536 3.351 50 10 IGCAMN COc1ccc(N2CCN([C@H]3CCCN(C(=O)c4ccc5nccnc5c4)C3)CC2)cc1 ZINC000095524142 557157872 /nfs/dbraw/zinc/15/78/72/557157872.db2.gz CCIFBRQFNZYBOT-NRFANRHFSA-N 0 1 431.540 3.065 50 10 IGCAMN COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1C ZINC000008801007 569476501 /nfs/dbraw/zinc/47/65/01/569476501.db2.gz ZAQKESIUMRNCOS-JOCHJYFZSA-N 0 1 429.586 3.111 50 10 IGCAMN CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3Cl)N3CCCC3)ccc21 ZINC000008964184 569491221 /nfs/dbraw/zinc/49/12/21/569491221.db2.gz SUFJAMKWRLGEDV-NRFANRHFSA-N 0 1 426.948 3.224 50 10 IGCAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1O ZINC000000977492 132236458 /nfs/dbraw/zinc/23/64/58/132236458.db2.gz LJNAGEWMTJTASX-NTEUORMPSA-N 0 1 447.310 3.385 50 10 IGCAMN COc1ccc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c1 ZINC000001186295 132238837 /nfs/dbraw/zinc/23/88/37/132238837.db2.gz LTPFZMJFGPRXCP-XNTDXEJSSA-N 0 1 447.310 3.298 50 10 IGCAMN CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2C)C(=O)NC1=S ZINC000001134415 521853197 /nfs/dbraw/zinc/85/31/97/521853197.db2.gz QQPFWESRWZIKFI-HMMYKYKNSA-N 0 1 435.549 3.225 50 10 IGCAMN CN1CCc2cc([C@@H](CNC(=O)c3cccc(C(F)(F)F)c3)N3CCN(C)CC3)ccc21 ZINC000022733630 523998595 /nfs/dbraw/zinc/99/85/95/523998595.db2.gz VDFATFVHQQMYOW-JOCHJYFZSA-N 0 1 446.517 3.416 50 10 IGCAMN CN(C)c1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C(O)c2cccs2)cc1 ZINC000102912137 557411928 /nfs/dbraw/zinc/41/19/28/557411928.db2.gz OPRNKVGFEOBUFJ-JKIFEVAISA-N 0 1 429.489 3.083 50 10 IGCAMN CCOC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000015658699 568801273 /nfs/dbraw/zinc/80/12/73/568801273.db2.gz WEHSOXIHCTVTPY-SXGWCWSVSA-N 0 1 444.871 3.060 50 10 IGCAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1 ZINC000002977498 569433657 /nfs/dbraw/zinc/43/36/57/569433657.db2.gz MYXLALWVMHDPIH-UHFFFAOYSA-N 0 1 444.871 3.173 50 10 IGCAMN CN(C)c1cc(NCCN2CCC3(CC2)OCCO3)c2c3c1noc3-c1ccccc1C2=O ZINC000009641465 569555649 /nfs/dbraw/zinc/55/56/49/569555649.db2.gz NQFKVLODWWGDQP-UHFFFAOYSA-N 0 1 448.523 3.356 50 10 IGCAMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(OC)c1OC ZINC000000664557 132228946 /nfs/dbraw/zinc/22/89/46/132228946.db2.gz GWYCMJBNFVELQW-OQLLNIDSSA-N 0 1 426.494 3.161 50 10 IGCAMN COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(OC)c1 ZINC000001161764 132238062 /nfs/dbraw/zinc/23/80/62/132238062.db2.gz UVHQDRFFIXBUTB-GZTJUZNOSA-N 0 1 426.494 3.161 50 10 IGCAMN COc1cc(CNC=C2C(=O)NC(=S)N(c3cccc4ccccc43)C2=O)cc(OC)c1 ZINC000001809119 132246749 /nfs/dbraw/zinc/24/67/49/132246749.db2.gz CXYDPOZLNLGOSU-XSFVSMFZSA-N 0 1 447.516 3.278 50 10 IGCAMN CCOc1cccc(N2C(=O)/C(=C\c3cccn3-c3ccc(O)cc3)C(=O)NC2=S)c1 ZINC000009260413 132311565 /nfs/dbraw/zinc/31/15/65/132311565.db2.gz AYCQUYRNYRIGDV-ZHZULCJRSA-N 0 1 433.489 3.413 50 10 IGCAMN COCC[NH+](CCOC)Cc1c([O-])ccc2c(=O)c(-c3ccc(OC)c(OC)c3)coc21 ZINC000041584391 523715310 /nfs/dbraw/zinc/71/53/10/523715310.db2.gz AZHYFZJBZMJYAY-UHFFFAOYSA-N 0 1 443.496 3.278 50 10 IGCAMN CN1CCc2cc([C@H](CNC(=O)c3ccc(C(F)(F)F)cc3)N3CCN(C)CC3)ccc21 ZINC000022733644 523999322 /nfs/dbraw/zinc/99/93/22/523999322.db2.gz YSYWMTVUGSVVBU-QFIPXVFZSA-N 0 1 446.517 3.416 50 10 IGCAMN COc1ccc(N2CCN(C(=O)C3CCN(c4nc5ccc(C)cc5[nH]4)CC3)CC2)cc1 ZINC000008599362 536677764 /nfs/dbraw/zinc/67/77/64/536677764.db2.gz PLUHVWDCAKYZNT-UHFFFAOYSA-N 0 1 433.556 3.445 50 10 IGCAMN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(Br)c2)N2CCN(C)CC2)cc1 ZINC000023080552 556997914 /nfs/dbraw/zinc/99/79/14/556997914.db2.gz WWGYGMRJPDVXDL-OAQYLSRUSA-N 0 1 445.405 3.234 50 10 IGCAMN CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2Br)N2CCN(C)CC2)cc1 ZINC000023080560 556997960 /nfs/dbraw/zinc/99/79/60/556997960.db2.gz PZMZCDTWRKFNGM-OAQYLSRUSA-N 0 1 445.405 3.234 50 10 IGCAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000002970270 557134382 /nfs/dbraw/zinc/13/43/82/557134382.db2.gz OKKQADSOAHXYCJ-UHFFFAOYSA-N 0 1 431.788 3.426 50 10 IGCAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc4nc(C)c(C)nc4c3)CC2)cc1 ZINC000032841718 557316682 /nfs/dbraw/zinc/31/66/82/557316682.db2.gz YELARPHUDMGDEE-UHFFFAOYSA-N 0 1 433.556 3.197 50 10 IGCAMN CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)N3CCCCC3)ccc21 ZINC000013008014 569306448 /nfs/dbraw/zinc/30/64/48/569306448.db2.gz UVNNIPFYESNZFW-QFIPXVFZSA-N 0 1 442.510 3.239 50 10 IGCAMN COC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)NC(=O)NC3=O)c1C)CCCC2 ZINC000008927371 569487330 /nfs/dbraw/zinc/48/73/30/569487330.db2.gz JIVJZRHLJHEXCG-UHFFFAOYSA-N 0 1 427.482 3.411 50 10 IGCAMN O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21)N1CCCC1 ZINC000009601614 569551657 /nfs/dbraw/zinc/55/16/57/569551657.db2.gz NOFZQWASIQQVCL-XSFVSMFZSA-N 0 1 448.523 3.058 50 10 IGCAMN CCc1ccccc1N1C(=O)/C(=C/c2cn(CC(=O)OC)c3ccccc23)C(=O)NC1=S ZINC000001219807 132240099 /nfs/dbraw/zinc/24/00/99/132240099.db2.gz JCVIUKBLFXSSIP-LDADJPATSA-N 0 1 447.516 3.208 50 10 IGCAMN COc1cccc(N2C(=O)C(=Cc3cc(OC)c(OC)cc3OC)C(=O)NC2=S)c1 ZINC000001241670 132240763 /nfs/dbraw/zinc/24/07/63/132240763.db2.gz RSCIBTAXPDYOAF-OVCLIPMQSA-N 0 1 428.466 3.393 50 10 IGCAMN CN(C)c1ccc([C@@H](CNC(=O)COc2ccc3ccccc3c2)N2CCN(C)CC2)cc1 ZINC000022664963 522242766 /nfs/dbraw/zinc/24/27/66/522242766.db2.gz UEJFSXIZCUJVFF-AREMUKBSSA-N 0 1 446.595 3.390 50 10 IGCAMN CN1CCN([C@H](CNC(=O)c2cccc(Cl)c2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022734816 523921105 /nfs/dbraw/zinc/92/11/05/523921105.db2.gz OOXZTIATOPOAHG-HSZRJFAPSA-N 0 1 426.992 3.441 50 10 IGCAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 ZINC000002997168 556156213 /nfs/dbraw/zinc/15/62/13/556156213.db2.gz FBUKBDXIYGHBHZ-UHFFFAOYSA-N 0 1 441.396 3.041 50 10 IGCAMN CC[NH+](CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cc(OC)ccc3OC)C2=O)cc1 ZINC000100762457 556667750 /nfs/dbraw/zinc/66/77/50/556667750.db2.gz NHIXQANQMAUDNU-NBVRZTHBSA-N 0 1 438.484 3.129 50 10 IGCAMN CCC(=O)N1N=C(c2c(O)n(C)c(=S)n(C)c2=O)C[C@H]1c1ccc(N(CC)CC)cc1 ZINC000101494798 557288774 /nfs/dbraw/zinc/28/87/74/557288774.db2.gz GXNQZGHMHJRAPQ-KRWDZBQOSA-N 0 1 443.573 3.093 50 10 IGCAMN O=C1C[C@@H](N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)N1c1ccc(O)cc1 ZINC000009494454 568883610 /nfs/dbraw/zinc/88/36/10/568883610.db2.gz LYJMYSXTWCCKND-UAYXSDCWSA-N 0 1 436.514 3.482 50 10 IGCAMN O=C1CC(N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)N1c1ccc(O)cc1 ZINC000009494454 568883611 /nfs/dbraw/zinc/88/36/11/568883611.db2.gz LYJMYSXTWCCKND-UAYXSDCWSA-N 0 1 436.514 3.482 50 10 IGCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\NN1CCCC[C@H]1c1cccnc1 ZINC000252679594 569210626 /nfs/dbraw/zinc/21/06/26/569210626.db2.gz OQSBPJYHHGRUTH-FDWYHIAWSA-N 0 1 441.944 3.098 50 10 IGCAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(Oc4ccc(C(=O)OC)cc4)coc32)CC1 ZINC000020357573 569361488 /nfs/dbraw/zinc/36/14/88/569361488.db2.gz SYDXQZYBZMFBLX-UHFFFAOYSA-N 0 1 438.480 3.215 50 10 IGCAMN COC(=O)C[C@@H](c1ccnn1C)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221270 569386881 /nfs/dbraw/zinc/38/68/81/569386881.db2.gz NHQOFFCYTVQNJM-ZDUSSCGKSA-N 0 1 436.420 3.005 50 10 IGCAMN CCOc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCCC4)o3)C(=O)NC2=S)cc1 ZINC000009311405 132313306 /nfs/dbraw/zinc/31/33/06/132313306.db2.gz FXWDYWRYJZXMGR-JXAWBTAJSA-N 0 1 425.510 3.500 50 10 IGCAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)NC3CCCCC3)N3CCCCC3)ccc21 ZINC000009138116 536397671 /nfs/dbraw/zinc/39/76/71/536397671.db2.gz RXJMKYVIWWVUHM-QHCPKHFHSA-N 0 1 426.605 3.161 50 10 IGCAMN COc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4C)C3)CC2)cc1 ZINC000248098702 568633902 /nfs/dbraw/zinc/63/39/02/568633902.db2.gz ZGMVTIRQWIVYLU-FQEVSTJZSA-N 0 1 447.583 3.143 50 10 IGCAMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1O ZINC000016688765 568938766 /nfs/dbraw/zinc/93/87/66/568938766.db2.gz LJNAGEWMTJTASX-ZROIWOOFSA-N 0 1 447.310 3.385 50 10 IGCAMN COc1ccc(CCS(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 ZINC000038636103 569465128 /nfs/dbraw/zinc/46/51/28/569465128.db2.gz XCOOCISZXBVLEG-QHCPKHFHSA-N 0 1 431.602 3.060 50 10 IGCAMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(OC)c1OC ZINC000013774880 132354561 /nfs/dbraw/zinc/35/45/61/132354561.db2.gz YOIZTXKZYREOPY-BENRWUELSA-N 0 1 432.885 3.197 50 10 IGCAMN COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 ZINC000022589160 524197278 /nfs/dbraw/zinc/19/72/78/524197278.db2.gz UUYYEVFHNWLELS-OAQYLSRUSA-N 0 1 430.980 3.133 50 10 IGCAMN CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(OC)c(Br)c3)C2=O)cc1 ZINC000006492059 556091723 /nfs/dbraw/zinc/09/17/23/556091723.db2.gz PRLWYFMHOJEUAU-GDNBJRDFSA-N 0 1 445.269 3.096 50 10 IGCAMN COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(OC)cc1OC ZINC000009191940 556254053 /nfs/dbraw/zinc/25/40/53/556254053.db2.gz ADKOPRODQQNVRG-BKUYFWCQSA-N 0 1 427.432 3.495 50 10 IGCAMN Cc1cc(N2CCOCC2)ccc1/C=C1/C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000015013140 556484104 /nfs/dbraw/zinc/48/41/04/556484104.db2.gz SKDMUFFFHYSVIO-UYRXBGFRSA-N 0 1 441.940 3.316 50 10 IGCAMN CCc1nnc2c(NCCN3CCN(c4ccc(OC)cc4)CC3)nc3ccccc3n12 ZINC000016162634 556586762 /nfs/dbraw/zinc/58/67/62/556586762.db2.gz GGBQTLMGRXGSRS-UHFFFAOYSA-N 0 1 431.544 3.083 50 10 IGCAMN CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)N2CCN(C)CC2)cc1 ZINC000023080571 556997863 /nfs/dbraw/zinc/99/78/63/556997863.db2.gz LJCTVIWQCAMLMO-NRFANRHFSA-N 0 1 434.506 3.490 50 10 IGCAMN O=C1NC(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)C(=O)N1 ZINC000001175070 557119565 /nfs/dbraw/zinc/11/95/65/557119565.db2.gz GSTBURPMTIYSAX-UHFFFAOYSA-N 0 1 435.661 3.431 50 10 IGCAMN CCC(=O)N1N=C(c2c(O)n(C)c(=S)n(C)c2=O)C[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000101494799 557288720 /nfs/dbraw/zinc/28/87/20/557288720.db2.gz GXNQZGHMHJRAPQ-QGZVFWFLSA-N 0 1 443.573 3.093 50 10 IGCAMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000036207472 568973168 /nfs/dbraw/zinc/97/31/68/568973168.db2.gz XTBHIXQPDRUQMP-XNTDXEJSSA-N 0 1 445.478 3.245 50 10 IGCAMN CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N3CCCC3)ccc21 ZINC000008964102 569491143 /nfs/dbraw/zinc/49/11/43/569491143.db2.gz UZPWSOVFOSBAIB-NRFANRHFSA-N 0 1 444.938 3.363 50 10 IGCAMN CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCC1 ZINC000008964093 569491203 /nfs/dbraw/zinc/49/12/03/569491203.db2.gz XCXIZVHPBJVCHO-OAQYLSRUSA-N 0 1 438.597 3.293 50 10 IGCAMN