smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Cc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001359784791 1064437722 /nfs/dbraw/zinc/43/77/22/1064437722.db2.gz NZWJFZHWAWLMTK-HXUWFJFHSA-N 1 1 456.635 4.574 20 5 JJBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001435339074 1064709327 /nfs/dbraw/zinc/70/93/27/1064709327.db2.gz KKQICNZWFXAQFQ-NBGIEHNGSA-N 1 1 459.546 4.814 20 5 JJBDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCC(F)(F)F)C1 ZINC001360007202 1064793828 /nfs/dbraw/zinc/79/38/28/1064793828.db2.gz AKGJTDITLQZIGQ-KRWDZBQOSA-N 1 1 468.524 4.610 20 5 JJBDMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001360141672 1065041333 /nfs/dbraw/zinc/04/13/33/1065041333.db2.gz RHJSNXOHHGMFRH-KIFXHHALSA-N 1 1 498.672 4.862 20 5 JJBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001436018327 1065116611 /nfs/dbraw/zinc/11/66/11/1065116611.db2.gz WXWPEKKEYUCQRT-NRFANRHFSA-N 1 1 450.564 4.749 20 5 JJBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001436276605 1065284819 /nfs/dbraw/zinc/28/48/19/1065284819.db2.gz WGBNIENDYXTIKR-NRFANRHFSA-N 1 1 458.562 4.801 20 5 JJBDMO C[C@H](c1ccco1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360453933 1065349279 /nfs/dbraw/zinc/34/92/79/1065349279.db2.gz BBLFQEDYZJQFFL-GOSISDBHSA-N 1 1 452.559 4.908 20 5 JJBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001360735548 1065763796 /nfs/dbraw/zinc/76/37/96/1065763796.db2.gz SRXZECWAXHOSEW-IRLDBZIGSA-N 1 1 450.583 4.710 20 5 JJBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001360735549 1065763986 /nfs/dbraw/zinc/76/39/86/1065763986.db2.gz SRXZECWAXHOSEW-RBBKRZOGSA-N 1 1 450.583 4.710 20 5 JJBDMO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC001440366072 1065933026 /nfs/dbraw/zinc/93/30/26/1065933026.db2.gz BYLCVBSHIUPRBE-QZMQVMSPSA-N 1 1 458.990 4.763 20 5 JJBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001440731086 1065971243 /nfs/dbraw/zinc/97/12/43/1065971243.db2.gz AUOLNHPXJAHMJS-AUUYWEPGSA-N 1 1 452.338 4.622 20 5 JJBDMO Cc1ncsc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001360932928 1066091004 /nfs/dbraw/zinc/09/10/04/1066091004.db2.gz VCDXITUKXMJRRE-QGZVFWFLSA-N 1 1 483.642 4.765 20 5 JJBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC001443414936 1066308277 /nfs/dbraw/zinc/30/82/77/1066308277.db2.gz WACSQMKRPXXYNL-HXUWFJFHSA-N 1 1 453.608 4.924 20 5 JJBDMO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001443550225 1066328670 /nfs/dbraw/zinc/32/86/70/1066328670.db2.gz LAYQIZKYQFTPCW-UHFFFAOYSA-N 1 1 458.562 4.944 20 5 JJBDMO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001443550225 1066328686 /nfs/dbraw/zinc/32/86/86/1066328686.db2.gz LAYQIZKYQFTPCW-UHFFFAOYSA-N 1 1 458.562 4.944 20 5 JJBDMO C[C@@H]1C[C@@H](NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC[N@H+]1C ZINC001445059835 1066535735 /nfs/dbraw/zinc/53/57/35/1066535735.db2.gz YLGBRJNWAZDLQM-QIVIOXESSA-N 1 1 450.564 4.734 20 5 JJBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001457178884 1066781394 /nfs/dbraw/zinc/78/13/94/1066781394.db2.gz PMJCBFPNNCOZBX-KOSHJBKYSA-N 1 1 457.958 4.530 20 5 JJBDMO CC[C@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC001447511825 1066817171 /nfs/dbraw/zinc/81/71/71/1066817171.db2.gz NWZWODWWBYWLMY-DEOSSOPVSA-N 1 1 458.562 4.944 20 5 JJBDMO CC[C@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001447511825 1066817181 /nfs/dbraw/zinc/81/71/81/1066817181.db2.gz NWZWODWWBYWLMY-DEOSSOPVSA-N 1 1 458.562 4.944 20 5 JJBDMO Cc1ncc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)s1 ZINC001492695877 1066844167 /nfs/dbraw/zinc/84/41/67/1066844167.db2.gz ORSFYIIVTOQHBY-IBGZPJMESA-N 1 1 483.642 4.623 20 5 JJBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)nc1-c1ccccc1 ZINC001458092459 1066972208 /nfs/dbraw/zinc/97/22/08/1066972208.db2.gz AJLFSWWSSRNFFO-UHFFFAOYSA-N 1 1 458.440 4.878 20 5 JJBDMO CCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2ccc3[nH+]c(C)cn3c2)c([N+](=O)[O-])c1 ZINC001458191297 1067000824 /nfs/dbraw/zinc/00/08/24/1067000824.db2.gz UDEUKRSAOZEUFW-UHFFFAOYSA-N 1 1 451.508 4.510 20 5 JJBDMO CC[C@@]1(C)CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)O1 ZINC001546048122 1067285932 /nfs/dbraw/zinc/28/59/32/1067285932.db2.gz IJHNCJOACLVLMO-OFVILXPXSA-N 1 1 470.618 4.512 20 5 JJBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(C[C@H]3CC[C@@H](C(F)(F)F)O3)CC2)s1 ZINC001459316445 1067292236 /nfs/dbraw/zinc/29/22/36/1067292236.db2.gz WPQZEQUNRDHIGK-QRWLVFNGSA-N 1 1 455.502 4.551 20 5 JJBDMO COc1ccc(CCC[N@@H+](C)[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC001459346519 1067299674 /nfs/dbraw/zinc/29/96/74/1067299674.db2.gz GDSWHGOTZODDGU-MRXNPFEDSA-N 1 1 454.552 4.619 20 5 JJBDMO C[C@@H]1C[C@H](N(C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC[N@H+]1Cc1ccccc1 ZINC001459607408 1067362264 /nfs/dbraw/zinc/36/22/64/1067362264.db2.gz XOXGSBXWOCKUMM-VQIMIIECSA-N 1 1 455.946 4.783 20 5 JJBDMO CC1(C)C[C@H]([N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)Cc2ccccc2)C(C)(C)O1 ZINC001459872799 1067468401 /nfs/dbraw/zinc/46/84/01/1067468401.db2.gz WEHYNNBMZYHXGS-QFIPXVFZSA-N 1 1 453.539 4.741 20 5 JJBDMO COc1cc(C[NH+]2CCC([C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)c([N+](=O)[O-])cc1F ZINC001460108274 1067556546 /nfs/dbraw/zinc/55/65/46/1067556546.db2.gz ZKDVLNDBGSQOTN-FQEVSTJZSA-N 1 1 451.539 4.600 20 5 JJBDMO CC[N@H+](C[C@H](C)OC)[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 ZINC001460144594 1067563871 /nfs/dbraw/zinc/56/38/71/1067563871.db2.gz XGHOAPBJRJQMKI-HRAATJIYSA-N 1 1 454.552 4.755 20 5 JJBDMO CC[N@@H+](C[C@H](C)OC)[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 ZINC001460144594 1067563876 /nfs/dbraw/zinc/56/38/76/1067563876.db2.gz XGHOAPBJRJQMKI-HRAATJIYSA-N 1 1 454.552 4.755 20 5 JJBDMO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001460612673 1067672540 /nfs/dbraw/zinc/67/25/40/1067672540.db2.gz WOOGMECXNIHBPK-GXTWGEPZSA-N 1 1 452.736 4.827 20 5 JJBDMO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001460612673 1067672546 /nfs/dbraw/zinc/67/25/46/1067672546.db2.gz WOOGMECXNIHBPK-GXTWGEPZSA-N 1 1 452.736 4.827 20 5 JJBDMO COc1ccc(C([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 ZINC001460617706 1067674132 /nfs/dbraw/zinc/67/41/32/1067674132.db2.gz XCKFOQPRYWKIJG-UHFFFAOYSA-N 1 1 455.898 4.583 20 5 JJBDMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001460678160 1067698149 /nfs/dbraw/zinc/69/81/49/1067698149.db2.gz ALFAYUFCIVROGQ-IBGZPJMESA-N 1 1 450.564 4.750 20 5 JJBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)cc1OC ZINC001460751202 1067715959 /nfs/dbraw/zinc/71/59/59/1067715959.db2.gz OGDDMGGYQJMPDQ-FFZOFVMBSA-N 1 1 462.587 4.828 20 5 JJBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001460814158 1067728597 /nfs/dbraw/zinc/72/85/97/1067728597.db2.gz JEGGXCSGGUVGRZ-OAHLLOKOSA-N 1 1 451.445 4.617 20 5 JJBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001460817518 1067729074 /nfs/dbraw/zinc/72/90/74/1067729074.db2.gz PFQFDKKFGLKYOD-OAHLLOKOSA-N 1 1 451.445 4.617 20 5 JJBDMO COc1ccc(-c2ccc(CNCc3ccc(OC4CC[NH+](C)CC4)cc3)o2)c([N+](=O)[O-])c1 ZINC001461491926 1067875143 /nfs/dbraw/zinc/87/51/43/1067875143.db2.gz CYIRYQUZOGTIAM-UHFFFAOYSA-N 1 1 451.523 4.626 20 5 JJBDMO CC[NH+](CC)[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccsc1 ZINC001464138089 1068629843 /nfs/dbraw/zinc/62/98/43/1068629843.db2.gz CHTVUECGJGHIHS-OAQYLSRUSA-N 1 1 455.530 4.834 20 5 JJBDMO COc1ccccc1[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC001464331855 1068709047 /nfs/dbraw/zinc/70/90/47/1068709047.db2.gz KVXTXCHLBZKWPC-GOSISDBHSA-N 1 1 452.338 4.867 20 5 JJBDMO COc1ccccc1[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC001464331858 1068709084 /nfs/dbraw/zinc/70/90/84/1068709084.db2.gz KVXTXCHLBZKWPC-SFHVURJKSA-N 1 1 452.338 4.867 20 5 JJBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001464412773 1068737155 /nfs/dbraw/zinc/73/71/55/1068737155.db2.gz GQNLMXRMMYIQDF-FGTMMUONSA-N 1 1 458.990 4.957 20 5 JJBDMO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725083 720385174 /nfs/dbraw/zinc/38/51/74/720385174.db2.gz LRYHZKAOZJOTGZ-OALUTQOASA-N 1 1 469.904 4.823 20 5 JJBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164779961 721347985 /nfs/dbraw/zinc/34/79/85/721347985.db2.gz XCEBPMMUOIWILL-XMMPIXPASA-N 1 1 485.972 4.520 20 5 JJBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164779961 721347987 /nfs/dbraw/zinc/34/79/87/721347987.db2.gz XCEBPMMUOIWILL-XMMPIXPASA-N 1 1 485.972 4.520 20 5 JJBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164780440 721439650 /nfs/dbraw/zinc/43/96/50/721439650.db2.gz AGQKPMRHVTXKFT-IYBDPMFKSA-N 1 1 491.951 4.880 20 5 JJBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164780440 721439653 /nfs/dbraw/zinc/43/96/53/721439653.db2.gz AGQKPMRHVTXKFT-IYBDPMFKSA-N 1 1 491.951 4.880 20 5 JJBDMO Clc1ccc2ccc3ccc(N4CCC5(CC4)COCC[N@@H+](Cc4ccncc4)C5)nc3c2n1 ZINC001164963791 722056584 /nfs/dbraw/zinc/05/65/84/722056584.db2.gz KZBXYIFXKALVRD-UHFFFAOYSA-N 1 1 474.008 4.950 20 5 JJBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC001434915592 1064342681 /nfs/dbraw/zinc/34/26/81/1064342681.db2.gz NCGVOGFAZNGNOJ-HXUWFJFHSA-N 1 1 452.555 4.535 20 5 JJBDMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001435047748 1064463770 /nfs/dbraw/zinc/46/37/70/1064463770.db2.gz SJVPFJUBLPJHGN-NRFANRHFSA-N 1 1 456.974 4.633 20 5 JJBDMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001435047748 1064463774 /nfs/dbraw/zinc/46/37/74/1064463774.db2.gz SJVPFJUBLPJHGN-NRFANRHFSA-N 1 1 456.974 4.633 20 5 JJBDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccn3C)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC001360010029 1064800695 /nfs/dbraw/zinc/80/06/95/1064800695.db2.gz JCBIZZXIYBFWQM-QHCPKHFHSA-N 1 1 493.656 4.975 20 5 JJBDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccn3C)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC001360010028 1064800778 /nfs/dbraw/zinc/80/07/78/1064800778.db2.gz JCBIZZXIYBFWQM-HSZRJFAPSA-N 1 1 493.656 4.975 20 5 JJBDMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CCCOC3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC001360010615 1064803651 /nfs/dbraw/zinc/80/36/51/1064803651.db2.gz SUDYUTRWGALDBJ-ZEQRLZLVSA-N 1 1 498.672 4.863 20 5 JJBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001435567049 1064838060 /nfs/dbraw/zinc/83/80/60/1064838060.db2.gz RONDYKRCYGSJOR-LEWJYISDSA-N 1 1 459.546 4.909 20 5 JJBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001435567049 1064838069 /nfs/dbraw/zinc/83/80/69/1064838069.db2.gz RONDYKRCYGSJOR-LEWJYISDSA-N 1 1 459.546 4.909 20 5 JJBDMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001436435725 1065318800 /nfs/dbraw/zinc/31/88/00/1065318800.db2.gz YREBXCOOLPEOIN-QFIPXVFZSA-N 1 1 455.624 4.879 20 5 JJBDMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001360496882 1065412897 /nfs/dbraw/zinc/41/28/97/1065412897.db2.gz CCAPCFXLOYAFRF-IBGZPJMESA-N 1 1 468.627 4.714 20 5 JJBDMO COc1cc(C(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC001439756702 1065871042 /nfs/dbraw/zinc/87/10/42/1065871042.db2.gz GJRQOCMOYFBSAI-HFZDXXHNSA-N 1 1 463.509 4.531 20 5 JJBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001454013330 1066235296 /nfs/dbraw/zinc/23/52/96/1066235296.db2.gz RVGQBKSEDAYWMG-OAHLLOKOSA-N 1 1 453.486 4.979 20 5 JJBDMO CC(C)(C)OCCC[NH+]1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC001455224545 1066372497 /nfs/dbraw/zinc/37/24/97/1066372497.db2.gz DJSLEKYHKCOGLB-UHFFFAOYSA-N 1 1 457.596 4.709 20 5 JJBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC001445563818 1066587738 /nfs/dbraw/zinc/58/77/38/1066587738.db2.gz BGBNFPUIOWYJFL-AWEZNQCLSA-N 1 1 456.356 4.613 20 5 JJBDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001458156548 1066991699 /nfs/dbraw/zinc/99/16/99/1066991699.db2.gz UNQZHKHDTZKNJS-GAJHUEQPSA-N 1 1 458.990 4.643 20 5 JJBDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001458156548 1066991706 /nfs/dbraw/zinc/99/17/06/1066991706.db2.gz UNQZHKHDTZKNJS-GAJHUEQPSA-N 1 1 458.990 4.643 20 5 JJBDMO CC(C)c1[nH]nc(C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001451031054 1067140653 /nfs/dbraw/zinc/14/06/53/1067140653.db2.gz LLMFHPYUEZWLLO-NRFANRHFSA-N 1 1 453.587 4.738 20 5 JJBDMO CC(C)c1[nH]nc(C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001451031079 1067140738 /nfs/dbraw/zinc/14/07/38/1067140738.db2.gz LLMFHPYUEZWLLO-OAQYLSRUSA-N 1 1 453.587 4.738 20 5 JJBDMO CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)O1 ZINC001546048124 1067286018 /nfs/dbraw/zinc/28/60/18/1067286018.db2.gz IJHNCJOACLVLMO-SQJMNOBHSA-N 1 1 470.618 4.512 20 5 JJBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001459412542 1067316623 /nfs/dbraw/zinc/31/66/23/1067316623.db2.gz HZSOJGBEKUOMJF-OAQYLSRUSA-N 1 1 450.564 4.749 20 5 JJBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001459488742 1067337057 /nfs/dbraw/zinc/33/70/57/1067337057.db2.gz NLUDCUAHYYQLCZ-HNNXBMFYSA-N 1 1 452.351 4.504 20 5 JJBDMO C[C@H]1C[C@@H](N(C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC[N@H+]1Cc1ccccc1 ZINC001459607401 1067362133 /nfs/dbraw/zinc/36/21/33/1067362133.db2.gz XOXGSBXWOCKUMM-LPHOPBHVSA-N 1 1 455.946 4.783 20 5 JJBDMO C[C@H]1C[C@H](N(C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC[N@H+]1Cc1ccccc1 ZINC001459607405 1067362187 /nfs/dbraw/zinc/36/21/87/1067362187.db2.gz XOXGSBXWOCKUMM-QFBILLFUSA-N 1 1 455.946 4.783 20 5 JJBDMO Cc1cc(Cl)c(C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cc1[N+](=O)[O-] ZINC001459621764 1067366270 /nfs/dbraw/zinc/36/62/70/1067366270.db2.gz ZFLHKLBOCSFXKW-UHFFFAOYSA-N 1 1 454.914 4.606 20 5 JJBDMO Cc1c(NC(=O)[C@@H](C)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC001459762420 1067412941 /nfs/dbraw/zinc/41/29/41/1067412941.db2.gz JAWODSVEYOVAHO-OAQYLSRUSA-N 1 1 450.583 4.751 20 5 JJBDMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 ZINC001459826858 1067441220 /nfs/dbraw/zinc/44/12/20/1067441220.db2.gz SYZWNLSHYJDNGF-AWEZNQCLSA-N 1 1 451.445 4.829 20 5 JJBDMO C[C@@H](C[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Oc1ccc(Cl)c(Cl)c1 ZINC001459950819 1067504264 /nfs/dbraw/zinc/50/42/64/1067504264.db2.gz KLXQVAWMTOOTNC-ZDUSSCGKSA-N 1 1 454.310 4.599 20 5 JJBDMO CC[N@H+](C[C@@H](C)OC)[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 ZINC001460144597 1067563851 /nfs/dbraw/zinc/56/38/51/1067563851.db2.gz XGHOAPBJRJQMKI-IERDGZPVSA-N 1 1 454.552 4.755 20 5 JJBDMO CC[N@@H+](C[C@@H](C)OC)[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 ZINC001460144597 1067563855 /nfs/dbraw/zinc/56/38/55/1067563855.db2.gz XGHOAPBJRJQMKI-IERDGZPVSA-N 1 1 454.552 4.755 20 5 JJBDMO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001460172678 1067570156 /nfs/dbraw/zinc/57/01/56/1067570156.db2.gz GYROCWSDJFMOOJ-IBGZPJMESA-N 1 1 451.445 4.794 20 5 JJBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001460172678 1067570160 /nfs/dbraw/zinc/57/01/60/1067570160.db2.gz GYROCWSDJFMOOJ-IBGZPJMESA-N 1 1 451.445 4.794 20 5 JJBDMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001460319820 1067607351 /nfs/dbraw/zinc/60/73/51/1067607351.db2.gz YWYOPXKRVOYGOL-RLLQIKCJSA-N 1 1 453.967 4.675 20 5 JJBDMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001460319820 1067607354 /nfs/dbraw/zinc/60/73/54/1067607354.db2.gz YWYOPXKRVOYGOL-RLLQIKCJSA-N 1 1 453.967 4.675 20 5 JJBDMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cccc(SC)c2[N+](=O)[O-])cc1 ZINC001462113289 1068006833 /nfs/dbraw/zinc/00/68/33/1068006833.db2.gz YVOAKCIFQCLSKF-XZOQPEGZSA-N 1 1 477.586 4.723 20 5 JJBDMO O=C(NC[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1)OCc1ccccc1 ZINC001462175685 1068022461 /nfs/dbraw/zinc/02/24/61/1068022461.db2.gz HBMOHPCTVZTMLY-QGZVFWFLSA-N 1 1 451.445 4.752 20 5 JJBDMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)ccn1 ZINC001462460627 1068079514 /nfs/dbraw/zinc/07/95/14/1068079514.db2.gz YKBKEASLJAUTBD-FQEVSTJZSA-N 1 1 452.477 4.502 20 5 JJBDMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1Br ZINC001463174846 1068309708 /nfs/dbraw/zinc/30/97/08/1068309708.db2.gz GUPZVSLZMKXNQO-JTHBVZDNSA-N 1 1 480.362 4.755 20 5 JJBDMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001463826486 1068538142 /nfs/dbraw/zinc/53/81/42/1068538142.db2.gz SRGMHTBUXIRESL-HXUWFJFHSA-N 1 1 456.955 4.939 20 5 JJBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 ZINC001464149405 1068634374 /nfs/dbraw/zinc/63/43/74/1068634374.db2.gz XFXSEPZVATZCKQ-HNNXBMFYSA-N 1 1 456.593 4.817 20 5 JJBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)c1 ZINC001464329296 1068707811 /nfs/dbraw/zinc/70/78/11/1068707811.db2.gz UVAYTBQCGZMEME-UHFFFAOYSA-N 1 1 458.316 4.560 20 5 JJBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc4ccc([N+](=O)[O-])cc42)CC3)cs1 ZINC001164692768 719806435 /nfs/dbraw/zinc/80/64/35/719806435.db2.gz MJZSONUFLHOTAP-UHFFFAOYSA-N 1 1 458.975 4.591 20 5 JJBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])CC2 ZINC001164716084 720114552 /nfs/dbraw/zinc/11/45/52/720114552.db2.gz ITXXSHVUWMKZAS-LJQANCHMSA-N 1 1 481.984 4.699 20 5 JJBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)CC2 ZINC001164715467 720124417 /nfs/dbraw/zinc/12/44/17/720124417.db2.gz FZEJXWSXJZWSBV-LJQANCHMSA-N 1 1 481.984 4.699 20 5 JJBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2 ZINC001164710396 720155169 /nfs/dbraw/zinc/15/51/69/720155169.db2.gz AUYPULZSIBIPKJ-HSZRJFAPSA-N 1 1 473.577 4.559 20 5 JJBDMO Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164747843 720880319 /nfs/dbraw/zinc/88/03/19/720880319.db2.gz BXWKBABYDVAOHD-QDPGVEIFSA-N 1 1 487.604 4.602 20 5 JJBDMO O=[N+]([O-])c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1-c1ccccc1 ZINC001164747238 720935393 /nfs/dbraw/zinc/93/53/93/720935393.db2.gz CIHFITDWOBXYKQ-ABYGYWHVSA-N 1 1 499.615 4.807 20 5 JJBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C2)C1 ZINC001164783179 721376286 /nfs/dbraw/zinc/37/62/86/721376286.db2.gz OCJJGIXOAKBLEL-DEOSSOPVSA-N 1 1 485.972 4.520 20 5 JJBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C2)C1 ZINC001164783179 721376289 /nfs/dbraw/zinc/37/62/89/721376289.db2.gz OCJJGIXOAKBLEL-DEOSSOPVSA-N 1 1 485.972 4.520 20 5 JJBDMO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907973 721700302 /nfs/dbraw/zinc/70/03/02/721700302.db2.gz XQELULOFNBNGOV-QFIPXVFZSA-N 1 1 473.911 4.929 20 5 JJBDMO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907971 721700729 /nfs/dbraw/zinc/70/07/29/721700729.db2.gz XQELULOFNBNGOV-JOCHJYFZSA-N 1 1 473.911 4.929 20 5 JJBDMO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164911841 721737098 /nfs/dbraw/zinc/73/70/98/721737098.db2.gz KXNPSQZMRIMXKO-JOCHJYFZSA-N 1 1 473.911 4.929 20 5 JJBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC001165023954 721824339 /nfs/dbraw/zinc/82/43/39/721824339.db2.gz IWGIVERAPYDCSF-QGCDCVKKSA-N 1 1 451.958 4.928 20 5 JJBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)CC3)C2)cc1 ZINC001164940251 721928294 /nfs/dbraw/zinc/92/82/94/721928294.db2.gz UHPOBGDIKSWJTP-UHFFFAOYSA-N 1 1 466.969 4.976 20 5 JJBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C)nc(-c5ccc([N+](=O)[O-])cc5)n4)CC3)C2)cc1 ZINC001164939964 721931933 /nfs/dbraw/zinc/93/19/33/721931933.db2.gz PGPQBCLOYPNLKO-UHFFFAOYSA-N 1 1 473.577 4.540 20 5 JJBDMO O=[N+]([O-])c1cc(-c2ccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nn2)ccc1F ZINC001164996963 722211539 /nfs/dbraw/zinc/21/15/39/722211539.db2.gz PFTFYGIKBRIBOR-DEOSSOPVSA-N 1 1 451.477 4.575 20 5 JJBDMO O=[N+]([O-])c1cc(-c2ccc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nn2)ccc1F ZINC001164996964 722211591 /nfs/dbraw/zinc/21/15/91/722211591.db2.gz PFTFYGIKBRIBOR-XMMPIXPASA-N 1 1 451.477 4.575 20 5 JJBDMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001435047749 1064463801 /nfs/dbraw/zinc/46/38/01/1064463801.db2.gz SJVPFJUBLPJHGN-OAQYLSRUSA-N 1 1 456.974 4.633 20 5 JJBDMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001435047749 1064463807 /nfs/dbraw/zinc/46/38/07/1064463807.db2.gz SJVPFJUBLPJHGN-OAQYLSRUSA-N 1 1 456.974 4.633 20 5 JJBDMO C[C@@H]1C[C@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1Cc1ccccc1 ZINC001435204580 1064590218 /nfs/dbraw/zinc/59/02/18/1064590218.db2.gz QTWDDFYVBAHUMR-YLJYHZDGSA-N 1 1 450.564 4.843 20 5 JJBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001435303044 1064678580 /nfs/dbraw/zinc/67/85/80/1064678580.db2.gz IFVFOPMONRJMME-HSZRJFAPSA-N 1 1 458.562 4.801 20 5 JJBDMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@H](C(C)(C)C)C2)C1 ZINC001360138666 1065034617 /nfs/dbraw/zinc/03/46/17/1065034617.db2.gz IWIRPBCZRFGVES-PZJWPPBQSA-N 1 1 454.619 4.846 20 5 JJBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001360141269 1065039626 /nfs/dbraw/zinc/03/96/26/1065039626.db2.gz NPLNRKKRZKQHBQ-XMMPIXPASA-N 1 1 491.640 4.708 20 5 JJBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC001436230389 1065268730 /nfs/dbraw/zinc/26/87/30/1065268730.db2.gz RCEWUXSBPGQUIE-QGZVFWFLSA-N 1 1 459.852 4.612 20 5 JJBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC001436230389 1065268743 /nfs/dbraw/zinc/26/87/43/1065268743.db2.gz RCEWUXSBPGQUIE-QGZVFWFLSA-N 1 1 459.852 4.612 20 5 JJBDMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)sc2C1 ZINC000021294452 1065294874 /nfs/dbraw/zinc/29/48/74/1065294874.db2.gz WYCQZGDWVHEVBI-UHFFFAOYSA-N 1 1 471.970 4.947 20 5 JJBDMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)sc2C1 ZINC000021294452 1065294894 /nfs/dbraw/zinc/29/48/94/1065294894.db2.gz WYCQZGDWVHEVBI-UHFFFAOYSA-N 1 1 471.970 4.947 20 5 JJBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001360735547 1065764152 /nfs/dbraw/zinc/76/41/52/1065764152.db2.gz SRXZECWAXHOSEW-IFMALSPDSA-N 1 1 450.583 4.710 20 5 JJBDMO C[N@@H+]1CCN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(C)C ZINC001438933639 1065768619 /nfs/dbraw/zinc/76/86/19/1065768619.db2.gz MBVVJSHOUIYETL-UHFFFAOYSA-N 1 1 453.486 4.931 20 5 JJBDMO C[N@H+]1CCN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(C)C ZINC001438933639 1065768627 /nfs/dbraw/zinc/76/86/27/1065768627.db2.gz MBVVJSHOUIYETL-UHFFFAOYSA-N 1 1 453.486 4.931 20 5 JJBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439275710 1065809721 /nfs/dbraw/zinc/80/97/21/1065809721.db2.gz XEPSBFTWRYPFCN-HZPDHXFCSA-N 1 1 473.904 4.519 20 5 JJBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439275710 1065809732 /nfs/dbraw/zinc/80/97/32/1065809732.db2.gz XEPSBFTWRYPFCN-HZPDHXFCSA-N 1 1 473.904 4.519 20 5 JJBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001440731090 1065971341 /nfs/dbraw/zinc/97/13/41/1065971341.db2.gz AUOLNHPXJAHMJS-KUHUBIRLSA-N 1 1 452.338 4.622 20 5 JJBDMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC001441329415 1066029526 /nfs/dbraw/zinc/02/95/26/1066029526.db2.gz WRQAOQQIGRIHBM-SFHVURJKSA-N 1 1 452.736 4.578 20 5 JJBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001443385116 1066304001 /nfs/dbraw/zinc/30/40/01/1066304001.db2.gz IRCAGKWPFCQZDD-UHFFFAOYSA-N 1 1 459.959 4.841 20 5 JJBDMO C[N@H+](CC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)Cc1ccccc1 ZINC001444386324 1066456707 /nfs/dbraw/zinc/45/67/07/1066456707.db2.gz NIKUAMJGKNAUFB-UHFFFAOYSA-N 1 1 457.889 4.928 20 5 JJBDMO C[N@@H+](CC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)Cc1ccccc1 ZINC001444386324 1066456717 /nfs/dbraw/zinc/45/67/17/1066456717.db2.gz NIKUAMJGKNAUFB-UHFFFAOYSA-N 1 1 457.889 4.928 20 5 JJBDMO Cc1ccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC001361191559 1066518638 /nfs/dbraw/zinc/51/86/38/1066518638.db2.gz YDVZCBUSVDWLDS-HSZRJFAPSA-N 1 1 496.612 4.527 20 5 JJBDMO Cc1cc(N2CCC(NC(=O)c3ccc(SCCC(C)C)c([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC001457054754 1066751687 /nfs/dbraw/zinc/75/16/87/1066751687.db2.gz TUCVEGFJHSBCNS-UHFFFAOYSA-N 1 1 457.600 4.539 20 5 JJBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001457178883 1066781299 /nfs/dbraw/zinc/78/12/99/1066781299.db2.gz PMJCBFPNNCOZBX-HOYKHHGWSA-N 1 1 457.958 4.530 20 5 JJBDMO CN(CC[N@@H+](C)C1CC1)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001447878736 1066873430 /nfs/dbraw/zinc/87/34/30/1066873430.db2.gz MCUYLNBGDFUBMF-OBGWFSINSA-N 1 1 450.564 4.688 20 5 JJBDMO CC(C)Oc1nc(N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)ccc1[N+](=O)[O-] ZINC001458073065 1066967335 /nfs/dbraw/zinc/96/73/35/1066967335.db2.gz QTWLHFGMYUOZDN-UHFFFAOYSA-N 1 1 456.543 4.967 20 5 JJBDMO Cc1c(Br)cc(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)cc1[N+](=O)[O-] ZINC001449231318 1066991696 /nfs/dbraw/zinc/99/16/96/1066991696.db2.gz UTUGOFIASUKESH-GOSISDBHSA-N 1 1 458.312 4.520 20 5 JJBDMO Cc1c(Br)cc(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)cc1[N+](=O)[O-] ZINC001449231324 1066991814 /nfs/dbraw/zinc/99/18/14/1066991814.db2.gz UTUGOFIASUKESH-SFHVURJKSA-N 1 1 458.312 4.520 20 5 JJBDMO CCN(CC1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C ZINC001459565019 1067353286 /nfs/dbraw/zinc/35/32/86/1067353286.db2.gz YSMOXWIMWMBPQJ-UHFFFAOYSA-N 1 1 456.381 4.826 20 5 JJBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001459663151 1067375415 /nfs/dbraw/zinc/37/54/15/1067375415.db2.gz MITDQWGMVHRGPX-HOCLYGCPSA-N 1 1 455.902 4.505 20 5 JJBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001459663151 1067375421 /nfs/dbraw/zinc/37/54/21/1067375421.db2.gz MITDQWGMVHRGPX-HOCLYGCPSA-N 1 1 455.902 4.505 20 5 JJBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)C1 ZINC001460011843 1067526841 /nfs/dbraw/zinc/52/68/41/1067526841.db2.gz ONTJTMLWIJDTCQ-HXUWFJFHSA-N 1 1 454.365 4.580 20 5 JJBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)C1 ZINC001460011843 1067526852 /nfs/dbraw/zinc/52/68/52/1067526852.db2.gz ONTJTMLWIJDTCQ-HXUWFJFHSA-N 1 1 454.365 4.580 20 5 JJBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC001460085491 1067550126 /nfs/dbraw/zinc/55/01/26/1067550126.db2.gz HIJNIMHZZIDPND-UHFFFAOYSA-N 1 1 455.518 4.561 20 5 JJBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC001460085491 1067550133 /nfs/dbraw/zinc/55/01/33/1067550133.db2.gz HIJNIMHZZIDPND-UHFFFAOYSA-N 1 1 455.518 4.561 20 5 JJBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460208342 1067579717 /nfs/dbraw/zinc/57/97/17/1067579717.db2.gz QEGQNWFWDNRHJM-LEWJYISDSA-N 1 1 459.518 4.625 20 5 JJBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460208342 1067579727 /nfs/dbraw/zinc/57/97/27/1067579727.db2.gz QEGQNWFWDNRHJM-LEWJYISDSA-N 1 1 459.518 4.625 20 5 JJBDMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001460319823 1067607258 /nfs/dbraw/zinc/60/72/58/1067607258.db2.gz YWYOPXKRVOYGOL-YZGWKJHDSA-N 1 1 453.967 4.675 20 5 JJBDMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001460319823 1067607266 /nfs/dbraw/zinc/60/72/66/1067607266.db2.gz YWYOPXKRVOYGOL-YZGWKJHDSA-N 1 1 453.967 4.675 20 5 JJBDMO C[N@@H+]1CC[C@@H](CNCc2c(Br)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC001461406573 1067848277 /nfs/dbraw/zinc/84/82/77/1067848277.db2.gz MVKMFQLQZLXRLG-ORAYPTAESA-N 1 1 456.743 4.932 20 5 JJBDMO C[N@H+]1CC[C@@H](CNCc2c(Br)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC001461406573 1067848284 /nfs/dbraw/zinc/84/82/84/1067848284.db2.gz MVKMFQLQZLXRLG-ORAYPTAESA-N 1 1 456.743 4.932 20 5 JJBDMO O=[N+]([O-])c1c(Cl)ccc2nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)ccc21 ZINC001164696605 719894080 /nfs/dbraw/zinc/89/40/80/719894080.db2.gz GFQBINMIRWMTMH-UHFFFAOYSA-N 1 1 458.971 4.729 20 5 JJBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001164711128 720106729 /nfs/dbraw/zinc/10/67/29/720106729.db2.gz ORCMXHVHIDIRPA-DEOSSOPVSA-N 1 1 453.590 4.686 20 5 JJBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])CC2 ZINC001164712293 720155762 /nfs/dbraw/zinc/15/57/62/720155762.db2.gz FFGAYLRMAWEVCU-HXUWFJFHSA-N 1 1 481.984 4.699 20 5 JJBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CC2 ZINC001164712913 720156003 /nfs/dbraw/zinc/15/60/03/720156003.db2.gz IFPLGRXRCDXPBT-QHCPKHFHSA-N 1 1 491.567 4.698 20 5 JJBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccc(C)c([N+](=O)[O-])c3)nc3sccc31)C2 ZINC001164819100 720170898 /nfs/dbraw/zinc/17/08/98/720170898.db2.gz WAPRGAJHSCCHSI-RXFWQSSRSA-N 1 1 493.633 4.760 20 5 JJBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164836934 720722173 /nfs/dbraw/zinc/72/21/73/720722173.db2.gz BXUZYFCRTAMBKU-OAQYLSRUSA-N 1 1 493.995 4.965 20 5 JJBDMO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164910651 721725737 /nfs/dbraw/zinc/72/57/37/721725737.db2.gz HMKMDSMLMPJVPL-JOCHJYFZSA-N 1 1 473.911 4.929 20 5 JJBDMO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164910652 721726077 /nfs/dbraw/zinc/72/60/77/721726077.db2.gz HMKMDSMLMPJVPL-QFIPXVFZSA-N 1 1 473.911 4.929 20 5 JJBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)C2 ZINC001164912225 721761084 /nfs/dbraw/zinc/76/10/84/721761084.db2.gz VVMMXMKTYLFXBQ-UHFFFAOYSA-N 1 1 463.925 4.979 20 5 JJBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)C2 ZINC001164912225 721761087 /nfs/dbraw/zinc/76/10/87/721761087.db2.gz VVMMXMKTYLFXBQ-UHFFFAOYSA-N 1 1 463.925 4.979 20 5 JJBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001165021643 721809581 /nfs/dbraw/zinc/80/95/81/721809581.db2.gz FNHBKHSQTMXTRH-LDQXTDLNSA-N 1 1 451.958 4.928 20 5 JJBDMO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001435204782 1064590815 /nfs/dbraw/zinc/59/08/15/1064590815.db2.gz AKMQQFMRKZVPRG-OAQYLSRUSA-N 1 1 450.583 4.568 20 5 JJBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435251502 1064628466 /nfs/dbraw/zinc/62/84/66/1064628466.db2.gz CMPOLNDHTVVEEL-GCJKJVERSA-N 1 1 457.596 4.506 20 5 JJBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435251502 1064628474 /nfs/dbraw/zinc/62/84/74/1064628474.db2.gz CMPOLNDHTVVEEL-GCJKJVERSA-N 1 1 457.596 4.506 20 5 JJBDMO CC(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001359933580 1064675500 /nfs/dbraw/zinc/67/55/00/1064675500.db2.gz UEHGQIOSLVBOOC-NHCUHLMSSA-N 1 1 454.619 4.990 20 5 JJBDMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC001435308871 1064682676 /nfs/dbraw/zinc/68/26/76/1064682676.db2.gz QYCGLLBIBYXPPQ-QHCPKHFHSA-N 1 1 450.583 4.740 20 5 JJBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001435339072 1064709298 /nfs/dbraw/zinc/70/92/98/1064709298.db2.gz KKQICNZWFXAQFQ-CJFMBICVSA-N 1 1 459.546 4.814 20 5 JJBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001360117143 1065002279 /nfs/dbraw/zinc/00/22/79/1065002279.db2.gz YMNFHJCQQUMAIX-HXUWFJFHSA-N 1 1 454.619 4.674 20 5 JJBDMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@H](C(C)(C)C)C2)C1 ZINC001360138661 1065034013 /nfs/dbraw/zinc/03/40/13/1065034013.db2.gz IWIRPBCZRFGVES-CTNGQTDRSA-N 1 1 454.619 4.846 20 5 JJBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001360141267 1065039789 /nfs/dbraw/zinc/03/97/89/1065039789.db2.gz NPLNRKKRZKQHBQ-DEOSSOPVSA-N 1 1 491.640 4.708 20 5 JJBDMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001360141671 1065041171 /nfs/dbraw/zinc/04/11/71/1065041171.db2.gz RHJSNXOHHGMFRH-BGWNEDDSSA-N 1 1 498.672 4.862 20 5 JJBDMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc([N+](=O)[O-])c1Br ZINC001436499809 1065335726 /nfs/dbraw/zinc/33/57/26/1065335726.db2.gz MTOQAINUZPGONF-AYHJJNSGSA-N 1 1 458.356 4.673 20 5 JJBDMO C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360453934 1065349201 /nfs/dbraw/zinc/34/92/01/1065349201.db2.gz BBLFQEDYZJQFFL-SFHVURJKSA-N 1 1 452.559 4.908 20 5 JJBDMO CC1CCN(c2ccc(C(=O)N3CCC[N@@H+](Cc4ccccc4)C[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC001360464694 1065374058 /nfs/dbraw/zinc/37/40/58/1065374058.db2.gz FIDBAYQWWKRBDM-NRFANRHFSA-N 1 1 450.583 4.568 20 5 JJBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)c1 ZINC001441639321 1066056802 /nfs/dbraw/zinc/05/68/02/1066056802.db2.gz FWHAZLLXGVLZDJ-UHFFFAOYSA-N 1 1 458.316 4.560 20 5 JJBDMO COc1ccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)CC[NH2+]2)cc1 ZINC001454585877 1066304796 /nfs/dbraw/zinc/30/47/96/1066304796.db2.gz NEHSDQZVVSQTEW-QFIPXVFZSA-N 1 1 455.580 4.672 20 5 JJBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001445567098 1066588974 /nfs/dbraw/zinc/58/89/74/1066588974.db2.gz LGKQRXVGTMQYQN-MRXNPFEDSA-N 1 1 457.493 4.653 20 5 JJBDMO Cc1ccc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001361250517 1066597295 /nfs/dbraw/zinc/59/72/95/1066597295.db2.gz YOBYOOZQHVMEAW-HDICACEKSA-N 1 1 498.653 4.747 20 5 JJBDMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001456922936 1066722891 /nfs/dbraw/zinc/72/28/91/1066722891.db2.gz CHHXMPZGCSMZOI-PXDATVDWSA-N 1 1 451.567 4.513 20 5 JJBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001457178885 1066781240 /nfs/dbraw/zinc/78/12/40/1066781240.db2.gz PMJCBFPNNCOZBX-MHECFPHRSA-N 1 1 457.958 4.530 20 5 JJBDMO C[C@]12CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001457985701 1066952471 /nfs/dbraw/zinc/95/24/71/1066952471.db2.gz SXUWFKRRZYROQA-VFNWGFHPSA-N 1 1 478.774 4.605 20 5 JJBDMO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC001458250958 1067012178 /nfs/dbraw/zinc/01/21/78/1067012178.db2.gz CTLFCUUQBDNCHF-SFHVURJKSA-N 1 1 458.584 4.810 20 5 JJBDMO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC001458250958 1067012189 /nfs/dbraw/zinc/01/21/89/1067012189.db2.gz CTLFCUUQBDNCHF-SFHVURJKSA-N 1 1 458.584 4.810 20 5 JJBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001452574426 1067235577 /nfs/dbraw/zinc/23/55/77/1067235577.db2.gz RMTUJKCGFMMKGP-GASCZTMLSA-N 1 1 456.593 4.910 20 5 JJBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(C[C@@H]3CC[C@@H](C(F)(F)F)O3)CC2)s1 ZINC001459316454 1067292252 /nfs/dbraw/zinc/29/22/52/1067292252.db2.gz WPQZEQUNRDHIGK-YWZLYKJASA-N 1 1 455.502 4.551 20 5 JJBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001459326280 1067296043 /nfs/dbraw/zinc/29/60/43/1067296043.db2.gz MEZNJFCYOHHRPP-QHCPKHFHSA-N 1 1 452.599 4.718 20 5 JJBDMO CC1CCC([N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)Cc2ccc3c(c2)OCO3)CC1 ZINC001459423625 1067321826 /nfs/dbraw/zinc/32/18/26/1067321826.db2.gz DVPFLCFHXBQPBP-UHFFFAOYSA-N 1 1 459.930 4.996 20 5 JJBDMO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1(c2ccc(Br)cc2)CC1 ZINC001459528860 1067345395 /nfs/dbraw/zinc/34/53/95/1067345395.db2.gz PCYANMDINNZEEN-UHFFFAOYSA-N 1 1 452.736 4.613 20 5 JJBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1(c2ccc(Br)cc2)CC1 ZINC001459528860 1067345408 /nfs/dbraw/zinc/34/54/08/1067345408.db2.gz PCYANMDINNZEEN-UHFFFAOYSA-N 1 1 452.736 4.613 20 5 JJBDMO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2cccc([N+](=O)[O-])c2Br)C2CC2)CC1 ZINC001459717016 1067394159 /nfs/dbraw/zinc/39/41/59/1067394159.db2.gz FZJJBVQXHMJJDM-UHFFFAOYSA-N 1 1 454.365 4.721 20 5 JJBDMO CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C2CC2)CC1 ZINC001459717016 1067394168 /nfs/dbraw/zinc/39/41/68/1067394168.db2.gz FZJJBVQXHMJJDM-UHFFFAOYSA-N 1 1 454.365 4.721 20 5 JJBDMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 ZINC001459826861 1067441243 /nfs/dbraw/zinc/44/12/43/1067441243.db2.gz SYZWNLSHYJDNGF-CQSZACIVSA-N 1 1 451.445 4.829 20 5 JJBDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001459909703 1067485058 /nfs/dbraw/zinc/48/50/58/1067485058.db2.gz YJHRWHWTGUNTHQ-UKRRQHHQSA-N 1 1 456.572 4.656 20 5 JJBDMO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC001460868196 1067738471 /nfs/dbraw/zinc/73/84/71/1067738471.db2.gz DEDAILBPOANLEQ-JOCHJYFZSA-N 1 1 458.502 4.581 20 5 JJBDMO C[C@@]1(Cc2ccc(I)cc2)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001460873401 1067739620 /nfs/dbraw/zinc/73/96/20/1067739620.db2.gz WXKLKRSOBKSQHT-IBGZPJMESA-N 1 1 454.283 4.936 20 5 JJBDMO CC(C)(C)OC(=O)N1Cc2ccccc2OC2(CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC001460995990 1067759822 /nfs/dbraw/zinc/75/98/22/1067759822.db2.gz ZPMPBMJDOAXQIV-UHFFFAOYSA-N 1 1 453.539 4.759 20 5 JJBDMO COc1nc(Cl)c(C[NH2+]Cc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)n1C ZINC001461236466 1067806493 /nfs/dbraw/zinc/80/64/93/1067806493.db2.gz STDQGNZRTQNMBO-UHFFFAOYSA-N 1 1 455.273 4.865 20 5 JJBDMO CN1CC[NH+](CCOc2ccc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)cc2)CC1 ZINC001461245863 1067808873 /nfs/dbraw/zinc/80/88/73/1067808873.db2.gz CDECVGFXEJEYIU-UHFFFAOYSA-N 1 1 452.580 4.562 20 5 JJBDMO CS(=O)(=O)c1cc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(C(F)(F)F)c1 ZINC001461488174 1067873603 /nfs/dbraw/zinc/87/36/03/1067873603.db2.gz PDJIBCKJERDHQL-UHFFFAOYSA-N 1 1 454.426 4.567 20 5 JJBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC001461722821 1067925919 /nfs/dbraw/zinc/92/59/19/1067925919.db2.gz VSNFWIHJDVPELQ-QGZVFWFLSA-N 1 1 455.736 4.858 20 5 JJBDMO CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001461869469 1067950929 /nfs/dbraw/zinc/95/09/29/1067950929.db2.gz JKZOURVFVRRASR-QGZVFWFLSA-N 1 1 454.962 4.813 20 5 JJBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001461968190 1067971475 /nfs/dbraw/zinc/97/14/75/1067971475.db2.gz MTODASSWBDUOOS-PTNGSMBKSA-N 1 1 450.417 4.747 20 5 JJBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccc(C)c([N+](=O)[O-])c3)nc3sccc31)C2 ZINC001164819093 720170626 /nfs/dbraw/zinc/17/06/26/720170626.db2.gz WAPRGAJHSCCHSI-FNZWTVRRSA-N 1 1 493.633 4.760 20 5 JJBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2 ZINC001164838348 720726222 /nfs/dbraw/zinc/72/62/22/720726222.db2.gz IDQCMCXSGLXYHH-QHCPKHFHSA-N 1 1 458.562 4.917 20 5 JJBDMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc4ccc5cccnc5c4n2)C3)c1 ZINC001164755510 720880336 /nfs/dbraw/zinc/88/03/36/720880336.db2.gz YBHXRUQTWDWPDU-YZNIXAGQSA-N 1 1 479.628 4.933 20 5 JJBDMO O=[N+]([O-])c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1-c1ccccc1 ZINC001164747245 720935456 /nfs/dbraw/zinc/93/54/56/720935456.db2.gz CIHFITDWOBXYKQ-VAVYLYDRSA-N 1 1 499.615 4.807 20 5 JJBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001164783463 721454846 /nfs/dbraw/zinc/45/48/46/721454846.db2.gz BUZSDRDHGDLFPD-XMMPIXPASA-N 1 1 460.622 4.517 20 5 JJBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])C2 ZINC001164909467 721765766 /nfs/dbraw/zinc/76/57/66/721765766.db2.gz AKYWOPAQIXEWJP-UHFFFAOYSA-N 1 1 463.925 4.979 20 5 JJBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])C2 ZINC001164909467 721765773 /nfs/dbraw/zinc/76/57/73/721765773.db2.gz AKYWOPAQIXEWJP-UHFFFAOYSA-N 1 1 463.925 4.979 20 5 JJBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@@H]21 ZINC001165030524 721828548 /nfs/dbraw/zinc/82/85/48/721828548.db2.gz ZQUAEENBKCHRQI-GREBRCKQSA-N 1 1 478.984 4.837 20 5 JJBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC001165029000 721830946 /nfs/dbraw/zinc/83/09/46/721830946.db2.gz WGYUDSVJHLQVQV-AJSBUHFISA-N 1 1 461.541 4.928 20 5 JJBDMO CCc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164955619 722023043 /nfs/dbraw/zinc/02/30/43/722023043.db2.gz KLMDMIFVUHKZNL-UHFFFAOYSA-N 1 1 458.566 4.502 20 5 JJBDMO O=[N+]([O-])c1cc(-c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nn2)ccc1Cl ZINC001164957373 722023719 /nfs/dbraw/zinc/02/37/19/722023719.db2.gz BDSHZIOTSNANTE-UHFFFAOYSA-N 1 1 464.957 4.593 20 5 JJBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001434884657 1064316697 /nfs/dbraw/zinc/31/66/97/1064316697.db2.gz JHABLKVQXGTNME-PBHICJAKSA-N 1 1 453.486 4.657 20 5 JJBDMO CC(C)Cc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001359785989 1064439726 /nfs/dbraw/zinc/43/97/26/1064439726.db2.gz IBHZGAXFTWVBHU-UHFFFAOYSA-N 1 1 454.619 4.676 20 5 JJBDMO CC(C)Cc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359817752 1064500421 /nfs/dbraw/zinc/50/04/21/1064500421.db2.gz JRDUEFABAKFPTN-NRFANRHFSA-N 1 1 484.645 4.553 20 5 JJBDMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccncc2Cl)CC1 ZINC001360092610 1064962779 /nfs/dbraw/zinc/96/27/79/1064962779.db2.gz MBZSSDDUXUAYST-UHFFFAOYSA-N 1 1 484.004 4.507 20 5 JJBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001435774699 1064986906 /nfs/dbraw/zinc/98/69/06/1064986906.db2.gz KIHAOTYNKVCGJS-UHFFFAOYSA-N 1 1 459.999 4.855 20 5 JJBDMO CCC[N@@H+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 ZINC001436197635 1065245700 /nfs/dbraw/zinc/24/57/00/1065245700.db2.gz LALYBBYVHFOKHV-GOSISDBHSA-N 1 1 454.752 4.824 20 5 JJBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC001436230388 1065268485 /nfs/dbraw/zinc/26/84/85/1065268485.db2.gz RCEWUXSBPGQUIE-KRWDZBQOSA-N 1 1 459.852 4.612 20 5 JJBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC001436230388 1065268500 /nfs/dbraw/zinc/26/85/00/1065268500.db2.gz RCEWUXSBPGQUIE-KRWDZBQOSA-N 1 1 459.852 4.612 20 5 JJBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001360464619 1065373665 /nfs/dbraw/zinc/37/36/65/1065373665.db2.gz DCCYMOBWXHDXCD-OAQYLSRUSA-N 1 1 458.562 4.944 20 5 JJBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001360464618 1065373701 /nfs/dbraw/zinc/37/37/01/1065373701.db2.gz DCCYMOBWXHDXCD-NRFANRHFSA-N 1 1 458.562 4.944 20 5 JJBDMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC001436630803 1065408146 /nfs/dbraw/zinc/40/81/46/1065408146.db2.gz DWVDBKAWAMRMLE-JTHBVZDNSA-N 1 1 453.901 4.785 20 5 JJBDMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC001441329407 1066029622 /nfs/dbraw/zinc/02/96/22/1066029622.db2.gz WRQAOQQIGRIHBM-GOSISDBHSA-N 1 1 452.736 4.578 20 5 JJBDMO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001442020116 1066085868 /nfs/dbraw/zinc/08/58/68/1066085868.db2.gz UPDLLBCTUFIWRP-UHFFFAOYSA-N 1 1 450.583 4.935 20 5 JJBDMO C[N@@H+](CCN(Cc1ccccc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC001361013268 1066198914 /nfs/dbraw/zinc/19/89/14/1066198914.db2.gz GQOSHIFUQBAKSH-UHFFFAOYSA-N 1 1 451.954 4.952 20 5 JJBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001444468963 1066463129 /nfs/dbraw/zinc/46/31/29/1066463129.db2.gz XJYGDIKVCGHPNX-UHFFFAOYSA-N 1 1 459.955 4.882 20 5 JJBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001444468963 1066463139 /nfs/dbraw/zinc/46/31/39/1066463139.db2.gz XJYGDIKVCGHPNX-UHFFFAOYSA-N 1 1 459.955 4.882 20 5 JJBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001361165742 1066477092 /nfs/dbraw/zinc/47/70/92/1066477092.db2.gz OFTCXDLKGDKALG-QHCPKHFHSA-N 1 1 459.546 4.768 20 5 JJBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001456401118 1066578753 /nfs/dbraw/zinc/57/87/53/1066578753.db2.gz MFJTVWQJPPZHSY-VQTJNVASSA-N 1 1 451.910 4.773 20 5 JJBDMO C[C@@H]1[C@H](C)N(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC[N@@H+]1C ZINC001446965877 1066759761 /nfs/dbraw/zinc/75/97/61/1066759761.db2.gz IYDJVDQUSVXEFI-RNGVDHTISA-N 1 1 450.564 4.686 20 5 JJBDMO CC[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC001447511827 1066817410 /nfs/dbraw/zinc/81/74/10/1066817410.db2.gz NWZWODWWBYWLMY-XMMPIXPASA-N 1 1 458.562 4.944 20 5 JJBDMO CC[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001447511827 1066817418 /nfs/dbraw/zinc/81/74/18/1066817418.db2.gz NWZWODWWBYWLMY-XMMPIXPASA-N 1 1 458.562 4.944 20 5 JJBDMO CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001457540151 1066855710 /nfs/dbraw/zinc/85/57/10/1066855710.db2.gz SAPXWQXCTUTXAI-DEOSSOPVSA-N 1 1 458.562 4.944 20 5 JJBDMO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001458164121 1066993717 /nfs/dbraw/zinc/99/37/17/1066993717.db2.gz BKOCWHNIJMIVGB-GOSISDBHSA-N 1 1 456.344 4.574 20 5 JJBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC001449331837 1067000950 /nfs/dbraw/zinc/00/09/50/1067000950.db2.gz LXTYMOLLILNSEV-UHFFFAOYSA-N 1 1 451.910 4.997 20 5 JJBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1C ZINC001458191373 1067001138 /nfs/dbraw/zinc/00/11/38/1067001138.db2.gz BPEMBHMSGZDXNA-QGZVFWFLSA-N 1 1 451.445 4.785 20 5 JJBDMO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC001458250956 1067012140 /nfs/dbraw/zinc/01/21/40/1067012140.db2.gz CTLFCUUQBDNCHF-GOSISDBHSA-N 1 1 458.584 4.810 20 5 JJBDMO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC001458250956 1067012153 /nfs/dbraw/zinc/01/21/53/1067012153.db2.gz CTLFCUUQBDNCHF-GOSISDBHSA-N 1 1 458.584 4.810 20 5 JJBDMO CCC(CC)c1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)on1 ZINC001545823280 1067165514 /nfs/dbraw/zinc/16/55/14/1067165514.db2.gz HNPFMCKSYUPSCT-MSOLQXFVSA-N 1 1 481.601 4.712 20 5 JJBDMO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001452106329 1067207602 /nfs/dbraw/zinc/20/76/02/1067207602.db2.gz QWGIFHRJQCAREV-UHFFFAOYSA-N 1 1 451.552 4.815 20 5 JJBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cc1OC ZINC001459658282 1067373237 /nfs/dbraw/zinc/37/32/37/1067373237.db2.gz WKUFSVYGFYAZOC-ROUUACIJSA-N 1 1 450.576 4.972 20 5 JJBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cc1OC ZINC001459658282 1067373249 /nfs/dbraw/zinc/37/32/49/1067373249.db2.gz WKUFSVYGFYAZOC-ROUUACIJSA-N 1 1 450.576 4.972 20 5 JJBDMO COc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2)[C@@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC001459871208 1067467251 /nfs/dbraw/zinc/46/72/51/1067467251.db2.gz QGQKNKWMWYWQOH-JOCHJYFZSA-N 1 1 455.555 4.780 20 5 JJBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC001459911469 1067486320 /nfs/dbraw/zinc/48/63/20/1067486320.db2.gz VHHOTOKARGGTPD-IBGZPJMESA-N 1 1 450.308 4.971 20 5 JJBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](Cc2ccccn2)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC001459991150 1067517894 /nfs/dbraw/zinc/51/78/94/1067517894.db2.gz MPOIYCIIJKTNNV-IBGZPJMESA-N 1 1 457.284 4.734 20 5 JJBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](Cc2ccccn2)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC001459991156 1067517988 /nfs/dbraw/zinc/51/79/88/1067517988.db2.gz MPOIYCIIJKTNNV-LJQANCHMSA-N 1 1 457.284 4.734 20 5 JJBDMO C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001460008515 1067525261 /nfs/dbraw/zinc/52/52/61/1067525261.db2.gz WXMPMIDZHJSGKA-SFHVURJKSA-N 1 1 450.564 4.784 20 5 JJBDMO C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001460008515 1067525269 /nfs/dbraw/zinc/52/52/69/1067525269.db2.gz WXMPMIDZHJSGKA-SFHVURJKSA-N 1 1 450.564 4.784 20 5 JJBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1)OCc1ccccc1 ZINC001460048488 1067538703 /nfs/dbraw/zinc/53/87/03/1067538703.db2.gz ZFFGTSMGILGEEM-QGZVFWFLSA-N 1 1 451.445 4.752 20 5 JJBDMO O=C(NC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1)OCc1ccccc1 ZINC001460048488 1067538709 /nfs/dbraw/zinc/53/87/09/1067538709.db2.gz ZFFGTSMGILGEEM-QGZVFWFLSA-N 1 1 451.445 4.752 20 5 JJBDMO CC[N@H+](C[C@@H](C)OC)[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 ZINC001460144600 1067563768 /nfs/dbraw/zinc/56/37/68/1067563768.db2.gz XGHOAPBJRJQMKI-IIBYNOLFSA-N 1 1 454.552 4.755 20 5 JJBDMO CC[N@@H+](C[C@@H](C)OC)[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 ZINC001460144600 1067563772 /nfs/dbraw/zinc/56/37/72/1067563772.db2.gz XGHOAPBJRJQMKI-IIBYNOLFSA-N 1 1 454.552 4.755 20 5 JJBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(Cc3nc(C4CCCCC4)no3)CC2)cccc1[N+](=O)[O-] ZINC001460510108 1067646736 /nfs/dbraw/zinc/64/67/36/1067646736.db2.gz KELIHJUVUZPWER-KRWDZBQOSA-N 1 1 455.559 4.616 20 5 JJBDMO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C[C@@H](C)CC2 ZINC001460721550 1067709535 /nfs/dbraw/zinc/70/95/35/1067709535.db2.gz BYTGDEQYPCMDMW-KKUMJFAQSA-N 1 1 459.568 4.636 20 5 JJBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001460817509 1067729098 /nfs/dbraw/zinc/72/90/98/1067729098.db2.gz PFQFDKKFGLKYOD-HNNXBMFYSA-N 1 1 451.445 4.617 20 5 JJBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001461041036 1067768003 /nfs/dbraw/zinc/76/80/03/1067768003.db2.gz FXTYGRFGQHJYDK-OAHLLOKOSA-N 1 1 453.486 4.931 20 5 JJBDMO Cc1c(Br)cc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)cc1[N+](=O)[O-] ZINC001461065944 1067774663 /nfs/dbraw/zinc/77/46/63/1067774663.db2.gz WSLBNKXEDGOWKH-UHFFFAOYSA-N 1 1 453.362 4.531 20 5 JJBDMO O=[N+]([O-])c1sc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1Br ZINC001461853640 1067947385 /nfs/dbraw/zinc/94/73/85/1067947385.db2.gz YQGRFVPLHRWSBD-FQEVSTJZSA-N 1 1 450.402 4.907 20 5 JJBDMO O=[N+]([O-])c1sc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1Br ZINC001461853643 1067947419 /nfs/dbraw/zinc/94/74/19/1067947419.db2.gz YQGRFVPLHRWSBD-HXUWFJFHSA-N 1 1 450.402 4.907 20 5 JJBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001461968193 1067971319 /nfs/dbraw/zinc/97/13/19/1067971319.db2.gz MTODASSWBDUOOS-RVDMUPIBSA-N 1 1 450.417 4.747 20 5 JJBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463343570 1068363788 /nfs/dbraw/zinc/36/37/88/1068363788.db2.gz PJTJDOVWSFLYIC-QYZOEREBSA-N 1 1 472.383 4.696 20 5 JJBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC001164840432 720686881 /nfs/dbraw/zinc/68/68/81/720686881.db2.gz DRTJESDBYFVMDB-MRXNPFEDSA-N 1 1 451.354 4.557 20 5 JJBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC001164840429 720688193 /nfs/dbraw/zinc/68/81/93/720688193.db2.gz DRTJESDBYFVMDB-INIZCTEOSA-N 1 1 451.354 4.557 20 5 JJBDMO Cc1ccc(-c2ccc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1[N+](=O)[O-] ZINC001164836957 720704885 /nfs/dbraw/zinc/70/48/85/720704885.db2.gz CBVCTLZEKYIWFI-HSZRJFAPSA-N 1 1 473.577 4.620 20 5 JJBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C2)C1 ZINC001164779303 721375568 /nfs/dbraw/zinc/37/55/68/721375568.db2.gz AGYPEUXWIFBIME-AREMUKBSSA-N 1 1 495.555 4.520 20 5 JJBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C2)C1 ZINC001164779303 721375572 /nfs/dbraw/zinc/37/55/72/721375572.db2.gz AGYPEUXWIFBIME-AREMUKBSSA-N 1 1 495.555 4.520 20 5 JJBDMO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164906562 721693842 /nfs/dbraw/zinc/69/38/42/721693842.db2.gz NKISQYKEMKVRNI-HSZRJFAPSA-N 1 1 453.493 4.584 20 5 JJBDMO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164906569 721694506 /nfs/dbraw/zinc/69/45/06/721694506.db2.gz NKISQYKEMKVRNI-QHCPKHFHSA-N 1 1 453.493 4.584 20 5 JJBDMO CCc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164911247 721729306 /nfs/dbraw/zinc/72/93/06/721729306.db2.gz JMOYOHDRKQPQEB-VWLOTQADSA-N 1 1 494.546 4.747 20 5 JJBDMO O=[N+]([O-])c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1-c1ccc(F)cc1 ZINC001164912599 721737186 /nfs/dbraw/zinc/73/71/86/721737186.db2.gz OHVWANBJYWUNSK-XMMPIXPASA-N 1 1 483.494 4.929 20 5 JJBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001165021645 721809664 /nfs/dbraw/zinc/80/96/64/721809664.db2.gz FNHBKHSQTMXTRH-NBHGPNQESA-N 1 1 451.958 4.928 20 5 JJBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC001165023956 721824254 /nfs/dbraw/zinc/82/42/54/721824254.db2.gz IWGIVERAPYDCSF-SAWYMBPVSA-N 1 1 451.958 4.928 20 5 JJBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@H]21 ZINC001165030526 721828416 /nfs/dbraw/zinc/82/84/16/721828416.db2.gz ZQUAEENBKCHRQI-JXHRLWIKSA-N 1 1 478.984 4.837 20 5 JJBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@H]21 ZINC001165025693 721830933 /nfs/dbraw/zinc/83/09/33/721830933.db2.gz NMJGQGFRDVJOFF-FBBABVLZSA-N 1 1 451.958 4.928 20 5 JJBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)nn4)CC3)C2)cc1 ZINC001164939018 721932756 /nfs/dbraw/zinc/93/27/56/721932756.db2.gz HBXFZPRTTGQQDS-UHFFFAOYSA-N 1 1 493.995 4.885 20 5 JJBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001434884659 1064316995 /nfs/dbraw/zinc/31/69/95/1064316995.db2.gz JHABLKVQXGTNME-RHSMWYFYSA-N 1 1 453.486 4.657 20 5 JJBDMO CC(C)[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCCC[C@@H]2C)CCS1 ZINC001359746945 1064325264 /nfs/dbraw/zinc/32/52/64/1064325264.db2.gz PTLBUGUXNARYNF-SIKLNZKXSA-N 1 1 472.659 4.696 20 5 JJBDMO CC(C)Cc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001359784790 1064437692 /nfs/dbraw/zinc/43/76/92/1064437692.db2.gz NZWJFZHWAWLMTK-FQEVSTJZSA-N 1 1 456.635 4.574 20 5 JJBDMO CC(C)Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001359826999 1064509449 /nfs/dbraw/zinc/50/94/49/1064509449.db2.gz XJSKSDZQYZRJJP-UHFFFAOYSA-N 1 1 454.619 4.602 20 5 JJBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001435339073 1064709546 /nfs/dbraw/zinc/70/95/46/1064709546.db2.gz KKQICNZWFXAQFQ-CPJSRVTESA-N 1 1 459.546 4.814 20 5 JJBDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC001360010614 1064803699 /nfs/dbraw/zinc/80/36/99/1064803699.db2.gz SUDYUTRWGALDBJ-RPWUZVMVSA-N 1 1 498.672 4.863 20 5 JJBDMO CCCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360128773 1065023571 /nfs/dbraw/zinc/02/35/71/1065023571.db2.gz CXZOFEILKDHGFI-GHTZIAJQSA-N 1 1 459.974 4.919 20 5 JJBDMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@H](C(C)(C)C)C2)C1 ZINC001360138663 1065034253 /nfs/dbraw/zinc/03/42/53/1065034253.db2.gz IWIRPBCZRFGVES-FPOVZHCZSA-N 1 1 454.619 4.846 20 5 JJBDMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@H](C(C)(C)C)C2)C1 ZINC001360138667 1065034821 /nfs/dbraw/zinc/03/48/21/1065034821.db2.gz IWIRPBCZRFGVES-TZIWHRDSSA-N 1 1 454.619 4.846 20 5 JJBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001436276606 1065284723 /nfs/dbraw/zinc/28/47/23/1065284723.db2.gz WGBNIENDYXTIKR-OAQYLSRUSA-N 1 1 458.562 4.801 20 5 JJBDMO CC1CCN(c2ccc(C(=O)N3CCC[N@@H+](Cc4ccccc4)C[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC001360464695 1065373895 /nfs/dbraw/zinc/37/38/95/1065373895.db2.gz FIDBAYQWWKRBDM-OAQYLSRUSA-N 1 1 450.583 4.568 20 5 JJBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001438327709 1065709838 /nfs/dbraw/zinc/70/98/38/1065709838.db2.gz MKXJXELRVSGBOV-YKSBVNFPSA-N 1 1 458.562 4.705 20 5 JJBDMO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC001440366063 1065933167 /nfs/dbraw/zinc/93/31/67/1065933167.db2.gz BYLCVBSHIUPRBE-MFEFFIJZSA-N 1 1 458.990 4.763 20 5 JJBDMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001440733127 1065972072 /nfs/dbraw/zinc/97/20/72/1065972072.db2.gz IZNBLTOWLMQPDK-SFHVURJKSA-N 1 1 452.736 4.578 20 5 JJBDMO COc1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001441897619 1066080067 /nfs/dbraw/zinc/08/00/67/1066080067.db2.gz UXYABJHJKSDVIQ-CQSZACIVSA-N 1 1 458.902 4.620 20 5 JJBDMO Cc1ccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC001361191560 1066518615 /nfs/dbraw/zinc/51/86/15/1066518615.db2.gz YDVZCBUSVDWLDS-QHCPKHFHSA-N 1 1 496.612 4.527 20 5 JJBDMO Cc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC001361272433 1066626875 /nfs/dbraw/zinc/62/68/75/1066626875.db2.gz HMOVMSLEAYDRIB-UHFFFAOYSA-N 1 1 468.627 4.828 20 5 JJBDMO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC001456767990 1066684001 /nfs/dbraw/zinc/68/40/01/1066684001.db2.gz CZNQLWMWOAEBIF-JPYJTQIMSA-N 1 1 456.612 4.706 20 5 JJBDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001458156571 1066991816 /nfs/dbraw/zinc/99/18/16/1066991816.db2.gz UNQZHKHDTZKNJS-UZUQRXQVSA-N 1 1 458.990 4.643 20 5 JJBDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001458156571 1066991825 /nfs/dbraw/zinc/99/18/25/1066991825.db2.gz UNQZHKHDTZKNJS-UZUQRXQVSA-N 1 1 458.990 4.643 20 5 JJBDMO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001458164124 1066993451 /nfs/dbraw/zinc/99/34/51/1066993451.db2.gz BKOCWHNIJMIVGB-SFHVURJKSA-N 1 1 456.344 4.574 20 5 JJBDMO CCC(CC)c1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)on1 ZINC001545823281 1067165488 /nfs/dbraw/zinc/16/54/88/1067165488.db2.gz HNPFMCKSYUPSCT-QZTJIDSGSA-N 1 1 481.601 4.712 20 5 JJBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001459326276 1067295918 /nfs/dbraw/zinc/29/59/18/1067295918.db2.gz MEZNJFCYOHHRPP-HSZRJFAPSA-N 1 1 452.599 4.718 20 5 JJBDMO COc1ccc(CCC[N@@H+](C)[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC001459346512 1067299567 /nfs/dbraw/zinc/29/95/67/1067299567.db2.gz GDSWHGOTZODDGU-INIZCTEOSA-N 1 1 454.552 4.619 20 5 JJBDMO COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001459530550 1067346342 /nfs/dbraw/zinc/34/63/42/1067346342.db2.gz SPVGCYLRXPCOOD-CQSZACIVSA-N 1 1 452.338 4.803 20 5 JJBDMO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001459530550 1067346353 /nfs/dbraw/zinc/34/63/53/1067346353.db2.gz SPVGCYLRXPCOOD-CQSZACIVSA-N 1 1 452.338 4.803 20 5 JJBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001459663143 1067375288 /nfs/dbraw/zinc/37/52/88/1067375288.db2.gz MITDQWGMVHRGPX-GOEBONIOSA-N 1 1 455.902 4.505 20 5 JJBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001459663143 1067375299 /nfs/dbraw/zinc/37/52/99/1067375299.db2.gz MITDQWGMVHRGPX-GOEBONIOSA-N 1 1 455.902 4.505 20 5 JJBDMO COc1cc(C[NH+]2CCC(Nc3ccccc3Cl)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC001459664861 1067376282 /nfs/dbraw/zinc/37/62/82/1067376282.db2.gz UKLSZHRDEFHIDD-UHFFFAOYSA-N 1 1 455.889 4.977 20 5 JJBDMO Cc1c(NC(=O)[C@H](C)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC001459762414 1067412761 /nfs/dbraw/zinc/41/27/61/1067412761.db2.gz JAWODSVEYOVAHO-NRFANRHFSA-N 1 1 450.583 4.751 20 5 JJBDMO COc1cc(CN2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])cc1F ZINC001459804999 1067431298 /nfs/dbraw/zinc/43/12/98/1067431298.db2.gz SGRVQFHAFIKJPI-UHFFFAOYSA-N 1 1 455.452 4.858 20 5 JJBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001459870662 1067467293 /nfs/dbraw/zinc/46/72/93/1067467293.db2.gz PDYWNQWVBKOIPU-IEBWSBKVSA-N 1 1 451.445 4.829 20 5 JJBDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001459909691 1067484594 /nfs/dbraw/zinc/48/45/94/1067484594.db2.gz YJHRWHWTGUNTHQ-DZGCQCFKSA-N 1 1 456.572 4.656 20 5 JJBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC001459911471 1067486713 /nfs/dbraw/zinc/48/67/13/1067486713.db2.gz VHHOTOKARGGTPD-LJQANCHMSA-N 1 1 450.308 4.971 20 5 JJBDMO COc1cc(C[N@@H+](Cc2cccc(Br)c2)C2CCOCC2)c([N+](=O)[O-])cc1F ZINC001459954166 1067505729 /nfs/dbraw/zinc/50/57/29/1067505729.db2.gz UECZBTUCOHCDEN-UHFFFAOYSA-N 1 1 453.308 4.686 20 5 JJBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Cc3cccc(I)c3)C2)c(Cl)c1 ZINC001460135134 1067561547 /nfs/dbraw/zinc/56/15/47/1067561547.db2.gz MOJXEPMERIFAIJ-CQSZACIVSA-N 1 1 456.711 4.917 20 5 JJBDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001460669338 1067694543 /nfs/dbraw/zinc/69/45/43/1067694543.db2.gz WVZYOXKQLJYGEN-QAPCUYQASA-N 1 1 454.365 4.579 20 5 JJBDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001460669338 1067694545 /nfs/dbraw/zinc/69/45/45/1067694545.db2.gz WVZYOXKQLJYGEN-QAPCUYQASA-N 1 1 454.365 4.579 20 5 JJBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)cc1OC ZINC001460751210 1067716152 /nfs/dbraw/zinc/71/61/52/1067716152.db2.gz OGDDMGGYQJMPDQ-LSTHTHJFSA-N 1 1 462.587 4.828 20 5 JJBDMO C[N@@H+]1CC[C@@H](CNCc2c(Br)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001461406564 1067847799 /nfs/dbraw/zinc/84/77/99/1067847799.db2.gz MVKMFQLQZLXRLG-DJJJIMSYSA-N 1 1 456.743 4.932 20 5 JJBDMO C[N@H+]1CC[C@@H](CNCc2c(Br)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001461406564 1067847805 /nfs/dbraw/zinc/84/78/05/1067847805.db2.gz MVKMFQLQZLXRLG-DJJJIMSYSA-N 1 1 456.743 4.932 20 5 JJBDMO CC[NH+]1CCN(C(=O)c2ccc(NCc3ccc(-c4ccccc4[N+](=O)[O-])s3)cc2)CC1 ZINC001461719683 1067924766 /nfs/dbraw/zinc/92/47/66/1067924766.db2.gz DONCEKPUYNGGQX-UHFFFAOYSA-N 1 1 450.564 4.713 20 5 JJBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC001461722818 1067925960 /nfs/dbraw/zinc/92/59/60/1067925960.db2.gz VSNFWIHJDVPELQ-KRWDZBQOSA-N 1 1 455.736 4.858 20 5 JJBDMO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)ccn1 ZINC001462460633 1068079639 /nfs/dbraw/zinc/07/96/39/1068079639.db2.gz YKBKEASLJAUTBD-HXUWFJFHSA-N 1 1 452.477 4.502 20 5 JJBDMO CCC(CC)[C@@H](CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC001463869646 1068551275 /nfs/dbraw/zinc/55/12/75/1068551275.db2.gz CEFRMFMYHFXKLU-OAQYLSRUSA-N 1 1 457.596 4.613 20 5 JJBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001464412778 1068737303 /nfs/dbraw/zinc/73/73/03/1068737303.db2.gz GQNLMXRMMYIQDF-KSZLIROESA-N 1 1 458.990 4.957 20 5 JJBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(Oc3ccnc(Cl)c3)c(F)cc1[N+](=O)[O-])CC2 ZINC001164647625 719311449 /nfs/dbraw/zinc/31/14/49/719311449.db2.gz DMZSLZGDTPTJSS-UHFFFAOYSA-N 1 1 488.951 4.976 20 5 JJBDMO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1 ZINC001164705858 719898419 /nfs/dbraw/zinc/89/84/19/719898419.db2.gz DLUPHTHMZMPNSS-UHFFFAOYSA-N 1 1 458.971 4.729 20 5 JJBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Oc3ccnc(Cl)c3)c(F)cc1[N+](=O)[O-])C2 ZINC001164814411 720116096 /nfs/dbraw/zinc/11/60/96/720116096.db2.gz SIFRKXUHZYBLMU-XDHUDOTRSA-N 1 1 490.963 4.759 20 5 JJBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164711174 720142527 /nfs/dbraw/zinc/14/25/27/720142527.db2.gz FULRDVQZQDCHPR-FQEVSTJZSA-N 1 1 481.984 4.699 20 5 JJBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164711177 720143046 /nfs/dbraw/zinc/14/30/46/720143046.db2.gz FULRDVQZQDCHPR-HXUWFJFHSA-N 1 1 481.984 4.699 20 5 JJBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])CC2 ZINC001164712292 720156575 /nfs/dbraw/zinc/15/65/75/720156575.db2.gz FFGAYLRMAWEVCU-FQEVSTJZSA-N 1 1 481.984 4.699 20 5 JJBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])CC2 ZINC001164837597 720677515 /nfs/dbraw/zinc/67/75/15/720677515.db2.gz DGFQWRLRUSJGOO-MRXNPFEDSA-N 1 1 451.354 4.557 20 5 JJBDMO Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164747830 720880095 /nfs/dbraw/zinc/88/00/95/720880095.db2.gz BXWKBABYDVAOHD-FIPFOOKPSA-N 1 1 487.604 4.602 20 5 JJBDMO Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164747839 720880206 /nfs/dbraw/zinc/88/02/06/720880206.db2.gz BXWKBABYDVAOHD-NEKDWFFYSA-N 1 1 487.604 4.602 20 5 JJBDMO O=[N+]([O-])c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1-c1ccccc1 ZINC001164747240 720934391 /nfs/dbraw/zinc/93/43/91/720934391.db2.gz CIHFITDWOBXYKQ-IRPSRAIASA-N 1 1 499.615 4.807 20 5 JJBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)cnc2Cl)c1 ZINC001164780438 721439765 /nfs/dbraw/zinc/43/97/65/721439765.db2.gz AGQKPMRHVTXKFT-HOTGVXAUSA-N 1 1 491.951 4.880 20 5 JJBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164791270 721467465 /nfs/dbraw/zinc/46/74/65/721467465.db2.gz WFDCGBJLGHTCSL-HXUWFJFHSA-N 1 1 489.016 4.530 20 5 JJBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164796388 721502111 /nfs/dbraw/zinc/50/21/11/721502111.db2.gz TUYJKEKLPPIEQZ-UHFFFAOYSA-N 1 1 478.984 4.981 20 5 JJBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccc4ccc(Cl)nc4c3n2)[C@@H]2CCCO[C@H]12 ZINC001164807978 721557221 /nfs/dbraw/zinc/55/72/21/721557221.db2.gz UCSGDSDWXACSAH-YPCDYVTLSA-N 1 1 459.981 4.700 20 5 JJBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccc4ccc(Cl)nc4c3n2)[C@@H]2CCCO[C@H]21 ZINC001164807921 721557711 /nfs/dbraw/zinc/55/77/11/721557711.db2.gz UCSGDSDWXACSAH-IPVFLDMMSA-N 1 1 459.981 4.700 20 5 JJBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001165021646 721809736 /nfs/dbraw/zinc/80/97/36/721809736.db2.gz FNHBKHSQTMXTRH-OZOXKJRCSA-N 1 1 451.958 4.928 20 5 JJBDMO CCc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165027851 721826698 /nfs/dbraw/zinc/82/66/98/721826698.db2.gz UEOXERUIIYOSNF-OPXMRZJTSA-N 1 1 472.593 4.746 20 5 JJBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC001165029004 721830802 /nfs/dbraw/zinc/83/08/02/721830802.db2.gz WGYUDSVJHLQVQV-WTIAFYNJSA-N 1 1 461.541 4.928 20 5 JJBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@@H]21 ZINC001165025694 721830905 /nfs/dbraw/zinc/83/09/05/721830905.db2.gz NMJGQGFRDVJOFF-HFSMHLIXSA-N 1 1 451.958 4.928 20 5 JJBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc5ccccc5c(Cl)c4[N+](=O)[O-])CC3)C2)cc1 ZINC001164940554 721925267 /nfs/dbraw/zinc/92/52/67/721925267.db2.gz TWBHRJFUABFHSU-UHFFFAOYSA-N 1 1 466.969 4.976 20 5 JJBDMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC001434870693 1064307931 /nfs/dbraw/zinc/30/79/31/1064307931.db2.gz ACDKXWZWSKXAHR-UHFFFAOYSA-N 1 1 450.926 4.823 20 5 JJBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001434884660 1064316818 /nfs/dbraw/zinc/31/68/18/1064316818.db2.gz JHABLKVQXGTNME-WMLDXEAASA-N 1 1 453.486 4.657 20 5 JJBDMO CC(C)[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCCC(C)(C)C2)CCS1 ZINC001359748226 1064333473 /nfs/dbraw/zinc/33/34/73/1064333473.db2.gz RCLMNLARIQVVJJ-OAQYLSRUSA-N 1 1 472.659 4.553 20 5 JJBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@H]2CCCO2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360116582 1065001198 /nfs/dbraw/zinc/00/11/98/1065001198.db2.gz JKMXHIPYRYITRG-JOCHJYFZSA-N 1 1 470.618 4.575 20 5 JJBDMO CCCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360128782 1065023633 /nfs/dbraw/zinc/02/36/33/1065023633.db2.gz CXZOFEILKDHGFI-WIYYLYMNSA-N 1 1 459.974 4.919 20 5 JJBDMO Cc1cnc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC001435925763 1065066804 /nfs/dbraw/zinc/06/68/04/1065066804.db2.gz DSKCZPOKHBYLIG-YIXXDRMTSA-N 1 1 459.546 4.740 20 5 JJBDMO CC(C)Oc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC001439822226 1065883177 /nfs/dbraw/zinc/88/31/77/1065883177.db2.gz ZFEOINKXHSXVBN-BJKOFHAPSA-N 1 1 459.546 4.780 20 5 JJBDMO CC(C)(C)[C@]1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001360807920 1065920141 /nfs/dbraw/zinc/92/01/41/1065920141.db2.gz BZCZMVBZEBPGOK-SANMLTNESA-N 1 1 484.645 4.617 20 5 JJBDMO CC(C)(C)[C@@]1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001360807919 1065920283 /nfs/dbraw/zinc/92/02/83/1065920283.db2.gz BZCZMVBZEBPGOK-AREMUKBSSA-N 1 1 484.645 4.617 20 5 JJBDMO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC001440366093 1065933000 /nfs/dbraw/zinc/93/30/00/1065933000.db2.gz BYLCVBSHIUPRBE-SEPYTNNBSA-N 1 1 458.990 4.763 20 5 JJBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC001445563822 1066587696 /nfs/dbraw/zinc/58/76/96/1066587696.db2.gz BGBNFPUIOWYJFL-CQSZACIVSA-N 1 1 456.356 4.613 20 5 JJBDMO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC001456767995 1066683982 /nfs/dbraw/zinc/68/39/82/1066683982.db2.gz CZNQLWMWOAEBIF-MBSDFSHPSA-N 1 1 456.612 4.706 20 5 JJBDMO CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001457540156 1066855840 /nfs/dbraw/zinc/85/58/40/1066855840.db2.gz SAPXWQXCTUTXAI-XMMPIXPASA-N 1 1 458.562 4.944 20 5 JJBDMO CCN1CC[NH+](Cc2ccccc2CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC001458097598 1066974633 /nfs/dbraw/zinc/97/46/33/1066974633.db2.gz DVWHQEDBCJSKDI-UHFFFAOYSA-N 1 1 458.562 4.575 20 5 JJBDMO O=[N+]([O-])c1cc(CO)c(N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)cc1F ZINC001458150800 1066989116 /nfs/dbraw/zinc/98/91/16/1066989116.db2.gz LARAMDSDXPPOPY-DEOSSOPVSA-N 1 1 455.917 4.791 20 5 JJBDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001458156556 1066991665 /nfs/dbraw/zinc/99/16/65/1066991665.db2.gz UNQZHKHDTZKNJS-HXOBKFHXSA-N 1 1 458.990 4.643 20 5 JJBDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001458156556 1066991672 /nfs/dbraw/zinc/99/16/72/1066991672.db2.gz UNQZHKHDTZKNJS-HXOBKFHXSA-N 1 1 458.990 4.643 20 5 JJBDMO CC[N@H+]1CCCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001450946784 1067136749 /nfs/dbraw/zinc/13/67/49/1067136749.db2.gz MCXVSBHOZNABPJ-OAHLLOKOSA-N 1 1 456.593 4.912 20 5 JJBDMO CCC(CC)c1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)on1 ZINC001545823283 1067165659 /nfs/dbraw/zinc/16/56/59/1067165659.db2.gz HNPFMCKSYUPSCT-ZWKOTPCHSA-N 1 1 481.601 4.712 20 5 JJBDMO CC(C)(C)OC(=O)N1CCC[C@H]1C1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001459387265 1067310179 /nfs/dbraw/zinc/31/01/79/1067310179.db2.gz MGCPNGHJWJSILQ-NRFANRHFSA-N 1 1 456.543 4.861 20 5 JJBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001459663158 1067375531 /nfs/dbraw/zinc/37/55/31/1067375531.db2.gz MITDQWGMVHRGPX-ZBFHGGJFSA-N 1 1 455.902 4.505 20 5 JJBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001459663158 1067375543 /nfs/dbraw/zinc/37/55/43/1067375543.db2.gz MITDQWGMVHRGPX-ZBFHGGJFSA-N 1 1 455.902 4.505 20 5 JJBDMO O=C(CC[N@H+](Cc1cccc(Br)c1)CC1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC001460059157 1067541814 /nfs/dbraw/zinc/54/18/14/1067541814.db2.gz JMKMEVFXCLCCKY-UHFFFAOYSA-N 1 1 450.308 4.737 20 5 JJBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 ZINC001460084415 1067549752 /nfs/dbraw/zinc/54/97/52/1067549752.db2.gz BHIORGPSBDRVJF-INIZCTEOSA-N 1 1 451.445 4.830 20 5 JJBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Cc3cccc(I)c3)C2)c(Cl)c1 ZINC001460135131 1067561688 /nfs/dbraw/zinc/56/16/88/1067561688.db2.gz MOJXEPMERIFAIJ-AWEZNQCLSA-N 1 1 456.711 4.917 20 5 JJBDMO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC001460868199 1067738332 /nfs/dbraw/zinc/73/83/32/1067738332.db2.gz DEDAILBPOANLEQ-QFIPXVFZSA-N 1 1 458.502 4.581 20 5 JJBDMO COc1cc(C[NH+]2CCC(c3nc4c(s3)CCC4)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC001460889629 1067744260 /nfs/dbraw/zinc/74/42/60/1067744260.db2.gz UEGOLOOPHIYHHV-UHFFFAOYSA-N 1 1 453.511 4.572 20 5 JJBDMO COc1cc([N+](=O)[O-])c(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCCCC2)cc1SC ZINC001462627506 1068117007 /nfs/dbraw/zinc/11/70/07/1068117007.db2.gz XCLRNMXPECBDHC-UHFFFAOYSA-N 1 1 457.596 4.890 20 5 JJBDMO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccccc1Cl ZINC001463564178 1068446000 /nfs/dbraw/zinc/44/60/00/1068446000.db2.gz XXCQXMQZSMECQI-QHCPKHFHSA-N 1 1 452.942 4.893 20 5 JJBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 ZINC001464469009 1068757941 /nfs/dbraw/zinc/75/79/41/1068757941.db2.gz ZXBOSRJAACIXHI-UHFFFAOYSA-N 1 1 456.593 4.893 20 5 JJBDMO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694569 719891175 /nfs/dbraw/zinc/89/11/75/719891175.db2.gz AELDPFNMINPOLY-UHFFFAOYSA-N 1 1 458.971 4.729 20 5 JJBDMO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694569 719891179 /nfs/dbraw/zinc/89/11/79/719891179.db2.gz AELDPFNMINPOLY-UHFFFAOYSA-N 1 1 458.971 4.729 20 5 JJBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001164711135 720106289 /nfs/dbraw/zinc/10/62/89/720106289.db2.gz ORCMXHVHIDIRPA-XMMPIXPASA-N 1 1 453.590 4.686 20 5 JJBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164787742 721366466 /nfs/dbraw/zinc/36/64/66/721366466.db2.gz ZPNLTTPAUHOBTR-XMMPIXPASA-N 1 1 485.972 4.520 20 5 JJBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001164783460 721454914 /nfs/dbraw/zinc/45/49/14/721454914.db2.gz BUZSDRDHGDLFPD-DEOSSOPVSA-N 1 1 460.622 4.517 20 5 JJBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])CC2 ZINC001164790008 721457974 /nfs/dbraw/zinc/45/79/74/721457974.db2.gz YXWGKPNXJVFHLZ-LJQANCHMSA-N 1 1 489.016 4.530 20 5 JJBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccc4ccc(Cl)nc4c3n2)[C@H]2CCCO[C@@H]12 ZINC001164807973 721557596 /nfs/dbraw/zinc/55/75/96/721557596.db2.gz UCSGDSDWXACSAH-LZCXECNNSA-N 1 1 459.981 4.700 20 5 JJBDMO O=[N+]([O-])c1c(Cl)ccc2nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ccc21 ZINC001164904264 721711531 /nfs/dbraw/zinc/71/15/31/721711531.db2.gz AYOYJZZGEUWWTK-QFIPXVFZSA-N 1 1 473.911 4.929 20 5 JJBDMO Cc1ccc(-c2ccc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nn2)cc1[N+](=O)[O-] ZINC001164909030 721759372 /nfs/dbraw/zinc/75/93/72/721759372.db2.gz DBLAPPQAWNWZLN-UHFFFAOYSA-N 1 1 470.533 4.543 20 5 JJBDMO Cc1ccc(-c2ccc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nn2)cc1[N+](=O)[O-] ZINC001164909030 721759373 /nfs/dbraw/zinc/75/93/73/721759373.db2.gz DBLAPPQAWNWZLN-UHFFFAOYSA-N 1 1 470.533 4.543 20 5 JJBDMO Clc1ccc2ccc3ccc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)nc3c2n1 ZINC001164975763 722120564 /nfs/dbraw/zinc/12/05/64/722120564.db2.gz KTENWWZXWPWPLD-VXKWHMMOSA-N 1 1 459.981 4.559 20 5 JJBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC001434915582 1064342872 /nfs/dbraw/zinc/34/28/72/1064342872.db2.gz NCGVOGFAZNGNOJ-FQEVSTJZSA-N 1 1 452.555 4.535 20 5 JJBDMO CC(C)CC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001359773168 1064411016 /nfs/dbraw/zinc/41/10/16/1064411016.db2.gz GUMCHVVIOQXZHY-UHFFFAOYSA-N 1 1 454.619 4.990 20 5 JJBDMO CC(C)Cc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001359786433 1064440871 /nfs/dbraw/zinc/44/08/71/1064440871.db2.gz XLNZOAJGGNYMLA-JOCHJYFZSA-N 1 1 454.619 4.674 20 5 JJBDMO CC(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001359933581 1064675410 /nfs/dbraw/zinc/67/54/10/1064675410.db2.gz UEHGQIOSLVBOOC-RTWAWAEBSA-N 1 1 454.619 4.990 20 5 JJBDMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC001360010612 1064803384 /nfs/dbraw/zinc/80/33/84/1064803384.db2.gz SUDYUTRWGALDBJ-BJKOFHAPSA-N 1 1 498.672 4.863 20 5 JJBDMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)Cc2cccs2)CC1 ZINC001360496884 1065412917 /nfs/dbraw/zinc/41/29/17/1065412917.db2.gz CCAPCFXLOYAFRF-LJQANCHMSA-N 1 1 468.627 4.714 20 5 JJBDMO O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001437582166 1065581256 /nfs/dbraw/zinc/58/12/56/1065581256.db2.gz STLHKPJCYBBDAT-XZOQPEGZSA-N 1 1 481.892 4.978 20 5 JJBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001438327652 1065709792 /nfs/dbraw/zinc/70/97/92/1065709792.db2.gz MKXJXELRVSGBOV-GBXCKJPGSA-N 1 1 458.562 4.705 20 5 JJBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001438327683 1065709957 /nfs/dbraw/zinc/70/99/57/1065709957.db2.gz MKXJXELRVSGBOV-RDPSFJRHSA-N 1 1 458.562 4.705 20 5 JJBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001360735550 1065763847 /nfs/dbraw/zinc/76/38/47/1065763847.db2.gz SRXZECWAXHOSEW-UNMCSNQZSA-N 1 1 450.583 4.710 20 5 JJBDMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001438977687 1065773475 /nfs/dbraw/zinc/77/34/75/1065773475.db2.gz LSMWCWYEHNUTSR-NRFANRHFSA-N 1 1 450.564 4.845 20 5 JJBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439820547 1065882071 /nfs/dbraw/zinc/88/20/71/1065882071.db2.gz UNFBKEIOOMDZGJ-OFAXGOBFSA-N 1 1 479.964 4.800 20 5 JJBDMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001440732013 1065972154 /nfs/dbraw/zinc/97/21/54/1065972154.db2.gz GHZJEWSQLDQZHN-FQEVSTJZSA-N 1 1 456.955 4.939 20 5 JJBDMO CC[C@@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC001546064564 1066321515 /nfs/dbraw/zinc/32/15/15/1066321515.db2.gz ROBFBKSCXZJYRG-CPJSRVTESA-N 1 1 454.619 4.992 20 5 JJBDMO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)cc2[N+](=O)[O-])C1 ZINC001444163288 1066422490 /nfs/dbraw/zinc/42/24/90/1066422490.db2.gz GOWZQSRCZZFCKC-CIAFKFPVSA-N 1 1 456.631 4.804 20 5 JJBDMO COc1cc(C(=O)NCCNc2cccc(C)[nH+]2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001456126647 1066515802 /nfs/dbraw/zinc/51/58/02/1066515802.db2.gz GQRLNUNYYZKSNS-UHFFFAOYSA-N 1 1 456.886 4.594 20 5 JJBDMO C[C@@H]1C[C@H](NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC[N@H+]1C ZINC001445059830 1066535673 /nfs/dbraw/zinc/53/56/73/1066535673.db2.gz YLGBRJNWAZDLQM-KKJHOPATSA-N 1 1 450.564 4.734 20 5 JJBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456981350 1066735553 /nfs/dbraw/zinc/73/55/53/1066735553.db2.gz GAHVMIQVKLMQKE-INIZCTEOSA-N 1 1 455.864 4.775 20 5 JJBDMO Cc1[nH+]ccn1CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCC(C)CC1 ZINC001492705491 1066865517 /nfs/dbraw/zinc/86/55/17/1066865517.db2.gz HPHXQWWOMKVDRM-UHFFFAOYSA-N 1 1 451.575 4.854 20 5 JJBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1C ZINC001458191366 1067000792 /nfs/dbraw/zinc/00/07/92/1067000792.db2.gz BPEMBHMSGZDXNA-KRWDZBQOSA-N 1 1 451.445 4.785 20 5 JJBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])C1 ZINC001458475493 1067071616 /nfs/dbraw/zinc/07/16/16/1067071616.db2.gz YHRHNAJFCFWOLI-GOSISDBHSA-N 1 1 455.356 4.659 20 5 JJBDMO CCC(CC)c1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)on1 ZINC001545823282 1067165582 /nfs/dbraw/zinc/16/55/82/1067165582.db2.gz HNPFMCKSYUPSCT-ROUUACIJSA-N 1 1 481.601 4.712 20 5 JJBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC001458919522 1067197232 /nfs/dbraw/zinc/19/72/32/1067197232.db2.gz STBYPEJYUMDYPA-UHFFFAOYSA-N 1 1 459.546 4.684 20 5 JJBDMO CC[C@]1(C)CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)O1 ZINC001546048123 1067285881 /nfs/dbraw/zinc/28/58/81/1067285881.db2.gz IJHNCJOACLVLMO-PXDATVDWSA-N 1 1 470.618 4.512 20 5 JJBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001459412540 1067316729 /nfs/dbraw/zinc/31/67/29/1067316729.db2.gz HZSOJGBEKUOMJF-NRFANRHFSA-N 1 1 450.564 4.749 20 5 JJBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC001459587222 1067357887 /nfs/dbraw/zinc/35/78/87/1067357887.db2.gz HAQPYPZLPJVUHE-KRWDZBQOSA-N 1 1 450.358 4.773 20 5 JJBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC001459587222 1067357899 /nfs/dbraw/zinc/35/78/99/1067357899.db2.gz HAQPYPZLPJVUHE-KRWDZBQOSA-N 1 1 450.358 4.773 20 5 JJBDMO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC001459818474 1067437282 /nfs/dbraw/zinc/43/72/82/1067437282.db2.gz KHZDUGYTDFCPAJ-YCRPNKLZSA-N 1 1 452.536 4.749 20 5 JJBDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC001459818474 1067437288 /nfs/dbraw/zinc/43/72/88/1067437288.db2.gz KHZDUGYTDFCPAJ-YCRPNKLZSA-N 1 1 452.536 4.749 20 5 JJBDMO CC1(C)C[C@@H]([N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)Cc2ccccc2)C(C)(C)O1 ZINC001459872794 1067468394 /nfs/dbraw/zinc/46/83/94/1067468394.db2.gz WEHYNNBMZYHXGS-JOCHJYFZSA-N 1 1 453.539 4.741 20 5 JJBDMO CC[N@H+](C[C@H](C)OC)[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 ZINC001460144602 1067563837 /nfs/dbraw/zinc/56/38/37/1067563837.db2.gz XGHOAPBJRJQMKI-KKSFZXQISA-N 1 1 454.552 4.755 20 5 JJBDMO CC[N@@H+](C[C@H](C)OC)[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 ZINC001460144602 1067563841 /nfs/dbraw/zinc/56/38/41/1067563841.db2.gz XGHOAPBJRJQMKI-KKSFZXQISA-N 1 1 454.552 4.755 20 5 JJBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC001460228843 1067584594 /nfs/dbraw/zinc/58/45/94/1067584594.db2.gz LBJVJRZUHFQUAC-DYVFJYSZSA-N 1 1 451.470 4.541 20 5 JJBDMO CCC1(CC)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+](C)C(C)C)CCS1 ZINC001546115087 1067592227 /nfs/dbraw/zinc/59/22/27/1067592227.db2.gz REFAQQOGZVIOFW-UHFFFAOYSA-N 1 1 460.648 4.696 20 5 JJBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001460301600 1067602391 /nfs/dbraw/zinc/60/23/91/1067602391.db2.gz LDWQAMMCBABYIA-ORYQWCPZSA-N 1 1 464.522 4.763 20 5 JJBDMO C[C@@H](C(=O)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001460347896 1067613694 /nfs/dbraw/zinc/61/36/94/1067613694.db2.gz MCWHKPPUHQGZEQ-RLWLMLJZSA-N 1 1 458.562 4.787 20 5 JJBDMO CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC001460758017 1067717563 /nfs/dbraw/zinc/71/75/63/1067717563.db2.gz AGUHWWBLKMTBBP-XZOQPEGZSA-N 1 1 463.509 4.531 20 5 JJBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H](O)COc3cccc(Cl)c3Cl)cs2)c1 ZINC001461109538 1067783404 /nfs/dbraw/zinc/78/34/04/1067783404.db2.gz HODXLMBXYWDEDY-OAHLLOKOSA-N 1 1 454.335 4.555 20 5 JJBDMO CCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CCOCC1 ZINC001546131106 1068070484 /nfs/dbraw/zinc/07/04/84/1068070484.db2.gz OZTJOJWHDCCZPZ-UHFFFAOYSA-N 1 1 484.645 4.617 20 5 JJBDMO CCC(CC)[C@H](CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC001463869643 1068551305 /nfs/dbraw/zinc/55/13/05/1068551305.db2.gz CEFRMFMYHFXKLU-NRFANRHFSA-N 1 1 457.596 4.613 20 5 JJBDMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC3)cs1 ZINC001164691490 719805794 /nfs/dbraw/zinc/80/57/94/719805794.db2.gz IFFITVKXAGRMRR-UHFFFAOYSA-N 1 1 457.934 4.588 20 5 JJBDMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC3)cs1 ZINC001164691490 719805796 /nfs/dbraw/zinc/80/57/96/719805796.db2.gz IFFITVKXAGRMRR-UHFFFAOYSA-N 1 1 457.934 4.588 20 5 JJBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2 ZINC001164710397 720154276 /nfs/dbraw/zinc/15/42/76/720154276.db2.gz AUYPULZSIBIPKJ-QHCPKHFHSA-N 1 1 473.577 4.559 20 5 JJBDMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc4ccc5cccnc5c4n2)C3)c1 ZINC001164755509 720880268 /nfs/dbraw/zinc/88/02/68/720880268.db2.gz YBHXRUQTWDWPDU-VIZCGCQYSA-N 1 1 479.628 4.933 20 5 JJBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C2)C1 ZINC001164783181 721375624 /nfs/dbraw/zinc/37/56/24/721375624.db2.gz OCJJGIXOAKBLEL-XMMPIXPASA-N 1 1 485.972 4.520 20 5 JJBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C2)C1 ZINC001164783181 721375628 /nfs/dbraw/zinc/37/56/28/721375628.db2.gz OCJJGIXOAKBLEL-XMMPIXPASA-N 1 1 485.972 4.520 20 5 JJBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164791268 721467398 /nfs/dbraw/zinc/46/73/98/721467398.db2.gz WFDCGBJLGHTCSL-FQEVSTJZSA-N 1 1 489.016 4.530 20 5 JJBDMO O=[N+]([O-])c1c(Cl)ccc2nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ccc21 ZINC001164904261 721711199 /nfs/dbraw/zinc/71/11/99/721711199.db2.gz AYOYJZZGEUWWTK-JOCHJYFZSA-N 1 1 473.911 4.929 20 5 JJBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)C2 ZINC001164910079 721755898 /nfs/dbraw/zinc/75/58/98/721755898.db2.gz LATULDPPGXAAJP-UHFFFAOYSA-N 1 1 463.925 4.979 20 5 JJBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)C2 ZINC001164910079 721755902 /nfs/dbraw/zinc/75/59/02/721755902.db2.gz LATULDPPGXAAJP-UHFFFAOYSA-N 1 1 463.925 4.979 20 5 JJBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)C2 ZINC001164911816 721765304 /nfs/dbraw/zinc/76/53/04/721765304.db2.gz SEABIXUQAJBHPQ-UHFFFAOYSA-N 1 1 455.518 4.840 20 5 JJBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)C2 ZINC001164911816 721765309 /nfs/dbraw/zinc/76/53/09/721765309.db2.gz SEABIXUQAJBHPQ-UHFFFAOYSA-N 1 1 455.518 4.840 20 5 JJBDMO CCc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165027848 721826727 /nfs/dbraw/zinc/82/67/27/721826727.db2.gz UEOXERUIIYOSNF-AMDXRBSFSA-N 1 1 472.593 4.746 20 5 JJBDMO CCc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165027850 721826902 /nfs/dbraw/zinc/82/69/02/721826902.db2.gz UEOXERUIIYOSNF-KSNOWIBYSA-N 1 1 472.593 4.746 20 5 JJBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@H]21 ZINC001165025697 721830814 /nfs/dbraw/zinc/83/08/14/721830814.db2.gz NMJGQGFRDVJOFF-YFVAEKQCSA-N 1 1 451.958 4.928 20 5 JJBDMO O=[N+]([O-])c1cc(C(F)(F)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cnc1Cl ZINC001165044114 721939488 /nfs/dbraw/zinc/93/94/88/721939488.db2.gz INCKUSSQEVZDKO-UHFFFAOYSA-N 1 1 454.264 4.716 20 5 JJBDMO Clc1ccc2ccc3ccc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)nc3c2n1 ZINC001164975760 722120295 /nfs/dbraw/zinc/12/02/95/722120295.db2.gz KTENWWZXWPWPLD-FGZHOGPDSA-N 1 1 459.981 4.559 20 5 JJBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001434884661 1064316910 /nfs/dbraw/zinc/31/69/10/1064316910.db2.gz JHABLKVQXGTNME-YOEHRIQHSA-N 1 1 453.486 4.657 20 5 JJBDMO CC(C)Cc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001359786434 1064440760 /nfs/dbraw/zinc/44/07/60/1064440760.db2.gz XLNZOAJGGNYMLA-QFIPXVFZSA-N 1 1 454.619 4.674 20 5 JJBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435251504 1064628245 /nfs/dbraw/zinc/62/82/45/1064628245.db2.gz CMPOLNDHTVVEEL-PGRDOPGGSA-N 1 1 457.596 4.506 20 5 JJBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435251504 1064628259 /nfs/dbraw/zinc/62/82/59/1064628259.db2.gz CMPOLNDHTVVEEL-PGRDOPGGSA-N 1 1 457.596 4.506 20 5 JJBDMO CC(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001359933579 1064675433 /nfs/dbraw/zinc/67/54/33/1064675433.db2.gz UEHGQIOSLVBOOC-LEWJYISDSA-N 1 1 454.619 4.990 20 5 JJBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001435339075 1064709271 /nfs/dbraw/zinc/70/92/71/1064709271.db2.gz KKQICNZWFXAQFQ-NLFFAJNJSA-N 1 1 459.546 4.814 20 5 JJBDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC001360010613 1064803368 /nfs/dbraw/zinc/80/33/68/1064803368.db2.gz SUDYUTRWGALDBJ-DNQXCXABSA-N 1 1 498.672 4.863 20 5 JJBDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001435567052 1064837825 /nfs/dbraw/zinc/83/78/25/1064837825.db2.gz RONDYKRCYGSJOR-SFTDATJTSA-N 1 1 459.546 4.909 20 5 JJBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001435567052 1064837833 /nfs/dbraw/zinc/83/78/33/1064837833.db2.gz RONDYKRCYGSJOR-SFTDATJTSA-N 1 1 459.546 4.909 20 5 JJBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001435567050 1064837884 /nfs/dbraw/zinc/83/78/84/1064837884.db2.gz RONDYKRCYGSJOR-NHCUHLMSSA-N 1 1 459.546 4.909 20 5 JJBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001435567050 1064837893 /nfs/dbraw/zinc/83/78/93/1064837893.db2.gz RONDYKRCYGSJOR-NHCUHLMSSA-N 1 1 459.546 4.909 20 5 JJBDMO CC(C)CSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001360080280 1064937215 /nfs/dbraw/zinc/93/72/15/1064937215.db2.gz DVKCRIURZOUCGS-UHFFFAOYSA-N 1 1 486.667 4.626 20 5 JJBDMO CN(C)c1ccc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1[N+](=O)[O-] ZINC001435861030 1065029954 /nfs/dbraw/zinc/02/99/54/1065029954.db2.gz NIVYSSKOHYIHRA-UFHPHHKVSA-N 1 1 473.573 4.794 20 5 JJBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001360140676 1065038359 /nfs/dbraw/zinc/03/83/59/1065038359.db2.gz INJSQAVEBDMVJW-HSZRJFAPSA-N 1 1 491.640 4.708 20 5 JJBDMO CCC[N@@H+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 ZINC001436197636 1065245784 /nfs/dbraw/zinc/24/57/84/1065245784.db2.gz LALYBBYVHFOKHV-SFHVURJKSA-N 1 1 454.752 4.824 20 5 JJBDMO CSc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC001436630876 1065408169 /nfs/dbraw/zinc/40/81/69/1065408169.db2.gz GGMDCQFZUAJTHD-FCHUYYIVSA-N 1 1 465.550 4.854 20 5 JJBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001440731089 1065971731 /nfs/dbraw/zinc/97/17/31/1065971731.db2.gz AUOLNHPXJAHMJS-IFXJQAMLSA-N 1 1 452.338 4.622 20 5 JJBDMO Cc1ncsc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001360932927 1066091222 /nfs/dbraw/zinc/09/12/22/1066091222.db2.gz VCDXITUKXMJRRE-KRWDZBQOSA-N 1 1 483.642 4.765 20 5 JJBDMO CC[C@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC001546064565 1066321567 /nfs/dbraw/zinc/32/15/67/1066321567.db2.gz ROBFBKSCXZJYRG-NBGIEHNGSA-N 1 1 454.619 4.992 20 5 JJBDMO Cc1csc([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC001492636222 1066718857 /nfs/dbraw/zinc/71/88/57/1066718857.db2.gz AOTJSINPVBOWPB-GOSISDBHSA-N 1 1 497.669 4.979 20 5 JJBDMO COc1cc(C(=O)N(CC[N@@H+](C)Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])cc1F ZINC001457035504 1066749482 /nfs/dbraw/zinc/74/94/82/1066749482.db2.gz IKHVMZYOJTZIBZ-UHFFFAOYSA-N 1 1 451.498 4.517 20 5 JJBDMO C[C@@H]1[C@H](C)N(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC[N@@H+]1C ZINC001446965860 1066759313 /nfs/dbraw/zinc/75/93/13/1066759313.db2.gz IYDJVDQUSVXEFI-FHDLINQPSA-N 1 1 450.564 4.686 20 5 JJBDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001458155801 1066991382 /nfs/dbraw/zinc/99/13/82/1066991382.db2.gz RXNOSHHRGUAXGN-GAJHUEQPSA-N 1 1 458.990 4.643 20 5 JJBDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001458155801 1066991392 /nfs/dbraw/zinc/99/13/92/1066991392.db2.gz RXNOSHHRGUAXGN-GAJHUEQPSA-N 1 1 458.990 4.643 20 5 JJBDMO CC[N@H+]1CCCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001450946778 1067136786 /nfs/dbraw/zinc/13/67/86/1067136786.db2.gz MCXVSBHOZNABPJ-HNNXBMFYSA-N 1 1 456.593 4.912 20 5 JJBDMO CC[C@@]1(C)CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)O1 ZINC001546048121 1067285803 /nfs/dbraw/zinc/28/58/03/1067285803.db2.gz IJHNCJOACLVLMO-BWKNWUBXSA-N 1 1 470.618 4.512 20 5 JJBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccc(Br)cc1)C(C)C ZINC001459348945 1067300854 /nfs/dbraw/zinc/30/08/54/1067300854.db2.gz JSZLDCPDCXSNEZ-UHFFFAOYSA-N 1 1 450.333 4.605 20 5 JJBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC001459470908 1067333082 /nfs/dbraw/zinc/33/30/82/1067333082.db2.gz VDNOQSGZWPWWIH-GOSISDBHSA-N 1 1 454.445 4.678 20 5 JJBDMO C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459797727 1067428226 /nfs/dbraw/zinc/42/82/26/1067428226.db2.gz QAPFZRXGFSZTNG-YIONKMFJSA-N 1 1 454.365 4.720 20 5 JJBDMO C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459797727 1067428233 /nfs/dbraw/zinc/42/82/33/1067428233.db2.gz QAPFZRXGFSZTNG-YIONKMFJSA-N 1 1 454.365 4.720 20 5 JJBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC001459818469 1067437000 /nfs/dbraw/zinc/43/70/00/1067437000.db2.gz KHZDUGYTDFCPAJ-VFNWGFHPSA-N 1 1 452.536 4.749 20 5 JJBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC001459818469 1067437005 /nfs/dbraw/zinc/43/70/05/1067437005.db2.gz KHZDUGYTDFCPAJ-VFNWGFHPSA-N 1 1 452.536 4.749 20 5 JJBDMO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC001459818464 1067437244 /nfs/dbraw/zinc/43/72/44/1067437244.db2.gz KHZDUGYTDFCPAJ-QVKFZJNVSA-N 1 1 452.536 4.749 20 5 JJBDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC001459818464 1067437254 /nfs/dbraw/zinc/43/72/54/1067437254.db2.gz KHZDUGYTDFCPAJ-QVKFZJNVSA-N 1 1 452.536 4.749 20 5 JJBDMO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC001460053172 1067539940 /nfs/dbraw/zinc/53/99/40/1067539940.db2.gz VVIUNVRYRZTVNG-UHFFFAOYSA-N 1 1 455.902 4.513 20 5 JJBDMO COc1cc(C[NH+]2CCC([C@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)c([N+](=O)[O-])cc1F ZINC001460108277 1067556628 /nfs/dbraw/zinc/55/66/28/1067556628.db2.gz ZKDVLNDBGSQOTN-HXUWFJFHSA-N 1 1 451.539 4.600 20 5 JJBDMO C[C@H](C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001460347890 1067613789 /nfs/dbraw/zinc/61/37/89/1067613789.db2.gz MCWHKPPUHQGZEQ-HFZDXXHNSA-N 1 1 458.562 4.787 20 5 JJBDMO C[C@]1(Cc2ccc(I)cc2)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001460873402 1067739549 /nfs/dbraw/zinc/73/95/49/1067739549.db2.gz WXKLKRSOBKSQHT-LJQANCHMSA-N 1 1 454.283 4.936 20 5 JJBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001460875411 1067740442 /nfs/dbraw/zinc/74/04/42/1067740442.db2.gz VEJWXKLUTFFMAY-LBNVMWSVSA-N 1 1 472.589 4.880 20 5 JJBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001460875411 1067740445 /nfs/dbraw/zinc/74/04/45/1067740445.db2.gz VEJWXKLUTFFMAY-LBNVMWSVSA-N 1 1 472.589 4.880 20 5 JJBDMO CN(CC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br)C(=O)OC(C)(C)C ZINC001460974805 1067755649 /nfs/dbraw/zinc/75/56/49/1067755649.db2.gz SRQOYVRMHVKAPP-MRXNPFEDSA-N 1 1 456.381 4.969 20 5 JJBDMO CN(CC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Br)C(=O)OC(C)(C)C ZINC001460974805 1067755660 /nfs/dbraw/zinc/75/56/60/1067755660.db2.gz SRQOYVRMHVKAPP-MRXNPFEDSA-N 1 1 456.381 4.969 20 5 JJBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cnn(CC(F)(F)F)c3)o2)c(Br)c1 ZINC001461284333 1067817535 /nfs/dbraw/zinc/81/75/35/1067817535.db2.gz ALTISDMOTIMBNF-UHFFFAOYSA-N 1 1 459.222 4.666 20 5 JJBDMO CC(=O)N1CC[NH+](Cc2ccccc2NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC001461440796 1067857316 /nfs/dbraw/zinc/85/73/16/1067857316.db2.gz FOIHMAXMHSCPCD-UHFFFAOYSA-N 1 1 450.564 4.600 20 5 JJBDMO COc1ccc([C@@H]2C[N@@H+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462517689 1068089339 /nfs/dbraw/zinc/08/93/39/1068089339.db2.gz IBKZYRIVAYNTSM-WIOQJERESA-N 1 1 467.566 4.999 20 5 JJBDMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC3)cs1 ZINC001164690844 719804136 /nfs/dbraw/zinc/80/41/36/719804136.db2.gz ATWNUVUYTNQUHY-UHFFFAOYSA-N 1 1 457.934 4.588 20 5 JJBDMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC3)cs1 ZINC001164690844 719804140 /nfs/dbraw/zinc/80/41/40/719804140.db2.gz ATWNUVUYTNQUHY-UHFFFAOYSA-N 1 1 457.934 4.588 20 5 JJBDMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC3)cs1 ZINC001164691971 719806831 /nfs/dbraw/zinc/80/68/31/719806831.db2.gz CWZSXEGZASZWPG-UHFFFAOYSA-N 1 1 457.934 4.588 20 5 JJBDMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC3)cs1 ZINC001164691971 719806834 /nfs/dbraw/zinc/80/68/34/719806834.db2.gz CWZSXEGZASZWPG-UHFFFAOYSA-N 1 1 457.934 4.588 20 5 JJBDMO O=[N+]([O-])c1cc(-c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nn2)ccc1Cl ZINC001164705434 719903452 /nfs/dbraw/zinc/90/34/52/719903452.db2.gz BUBQPWMWQIBQST-UHFFFAOYSA-N 1 1 485.997 4.638 20 5 JJBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccc(C)c([N+](=O)[O-])c3)nc3sccc31)C2 ZINC001164819095 720170169 /nfs/dbraw/zinc/17/01/69/720170169.db2.gz WAPRGAJHSCCHSI-FQRUVTKNSA-N 1 1 493.633 4.760 20 5 JJBDMO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725085 720384540 /nfs/dbraw/zinc/38/45/40/720384540.db2.gz LRYHZKAOZJOTGZ-RTBURBONSA-N 1 1 469.904 4.823 20 5 JJBDMO Cc1ccc(-c2nc3sccc3c(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)cc1[N+](=O)[O-] ZINC001164735053 720442337 /nfs/dbraw/zinc/44/23/37/720442337.db2.gz VGQWMPZCPFMKBK-LEWJYISDSA-N 1 1 472.574 4.823 20 5 JJBDMO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723150 720482422 /nfs/dbraw/zinc/48/24/22/720482422.db2.gz BXGJCLQPPAHDFZ-LOSJGSFVSA-N 1 1 481.556 4.970 20 5 JJBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2 ZINC001164838345 720726031 /nfs/dbraw/zinc/72/60/31/720726031.db2.gz IDQCMCXSGLXYHH-HSZRJFAPSA-N 1 1 458.562 4.917 20 5 JJBDMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc4ccc5cccnc5c4n2)C3)c1 ZINC001164755508 720879925 /nfs/dbraw/zinc/87/99/25/720879925.db2.gz YBHXRUQTWDWPDU-PDDLMNHVSA-N 1 1 479.628 4.933 20 5 JJBDMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc4ccc5cccnc5c4n2)C3)c1 ZINC001164755507 720880115 /nfs/dbraw/zinc/88/01/15/720880115.db2.gz YBHXRUQTWDWPDU-FREGXXQWSA-N 1 1 479.628 4.933 20 5 JJBDMO O=[N+]([O-])c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1-c1ccccc1 ZINC001164747243 720934654 /nfs/dbraw/zinc/93/46/54/720934654.db2.gz CIHFITDWOBXYKQ-SVEHJYQDSA-N 1 1 499.615 4.807 20 5 JJBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164779920 721347546 /nfs/dbraw/zinc/34/75/46/721347546.db2.gz XCEBPMMUOIWILL-DEOSSOPVSA-N 1 1 485.972 4.520 20 5 JJBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164779920 721347552 /nfs/dbraw/zinc/34/75/52/721347552.db2.gz XCEBPMMUOIWILL-DEOSSOPVSA-N 1 1 485.972 4.520 20 5 JJBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)C2)C1 ZINC001164786082 721354328 /nfs/dbraw/zinc/35/43/28/721354328.db2.gz WBNPMRWGXLGXGN-XMMPIXPASA-N 1 1 485.972 4.520 20 5 JJBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)C2)C1 ZINC001164786082 721354331 /nfs/dbraw/zinc/35/43/31/721354331.db2.gz WBNPMRWGXLGXGN-XMMPIXPASA-N 1 1 485.972 4.520 20 5 JJBDMO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164788846 721410568 /nfs/dbraw/zinc/41/05/68/721410568.db2.gz SDRTXFXOPSGSSN-KBPBESRZSA-N 1 1 475.933 4.599 20 5 JJBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164780439 721439627 /nfs/dbraw/zinc/43/96/27/721439627.db2.gz AGQKPMRHVTXKFT-HZPDHXFCSA-N 1 1 491.951 4.880 20 5 JJBDMO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164911842 721736923 /nfs/dbraw/zinc/73/69/23/721736923.db2.gz KXNPSQZMRIMXKO-QFIPXVFZSA-N 1 1 473.911 4.929 20 5 JJBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)nn4)CC3)C2)cc1 ZINC001164939010 721929214 /nfs/dbraw/zinc/92/92/14/721929214.db2.gz GRWDBXLFAHLJLX-UHFFFAOYSA-N 1 1 473.577 4.540 20 5 JJBDMO Cc1ccc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])cc1NC(=O)C[NH+]1CCCCC1 ZINC001434915025 1064341904 /nfs/dbraw/zinc/34/19/04/1064341904.db2.gz HKROTNVWIFIHGY-UHFFFAOYSA-N 1 1 458.946 4.552 20 5 JJBDMO C[C@H]1C[C@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1Cc1ccccc1 ZINC001435204577 1064590142 /nfs/dbraw/zinc/59/01/42/1064590142.db2.gz QTWDDFYVBAHUMR-FXAWDEMLSA-N 1 1 450.564 4.843 20 5 JJBDMO C[C@H]1C[C@@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1Cc1ccccc1 ZINC001435204578 1064590369 /nfs/dbraw/zinc/59/03/69/1064590369.db2.gz QTWDDFYVBAHUMR-PXNSSMCTSA-N 1 1 450.564 4.843 20 5 JJBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435251500 1064628428 /nfs/dbraw/zinc/62/84/28/1064628428.db2.gz CMPOLNDHTVVEEL-AVRDEDQJSA-N 1 1 457.596 4.506 20 5 JJBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435251500 1064628433 /nfs/dbraw/zinc/62/84/33/1064628433.db2.gz CMPOLNDHTVVEEL-AVRDEDQJSA-N 1 1 457.596 4.506 20 5 JJBDMO CC(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001359933582 1064675487 /nfs/dbraw/zinc/67/54/87/1064675487.db2.gz UEHGQIOSLVBOOC-SFTDATJTSA-N 1 1 454.619 4.990 20 5 JJBDMO CC(C)CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC001359984699 1064762527 /nfs/dbraw/zinc/76/25/27/1064762527.db2.gz CKSJNPDVYOZYEF-BGYRXZFFSA-N 1 1 472.634 4.612 20 5 JJBDMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001360138802 1065034768 /nfs/dbraw/zinc/03/47/68/1065034768.db2.gz KAHPCRLLXVJRJG-HKUYNNGSSA-N 1 1 480.535 4.752 20 5 JJBDMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001360138682 1065034995 /nfs/dbraw/zinc/03/49/95/1065034995.db2.gz JDPXILAHAJARAB-LJQANCHMSA-N 1 1 498.031 4.701 20 5 JJBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001360140677 1065038182 /nfs/dbraw/zinc/03/81/82/1065038182.db2.gz INJSQAVEBDMVJW-QHCPKHFHSA-N 1 1 491.640 4.708 20 5 JJBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001440731093 1065971482 /nfs/dbraw/zinc/97/14/82/1065971482.db2.gz AUOLNHPXJAHMJS-LIRRHRJNSA-N 1 1 452.338 4.622 20 5 JJBDMO Cc1occc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001360932048 1066088946 /nfs/dbraw/zinc/08/89/46/1066088946.db2.gz DDLJUERKTFHUOL-LJQANCHMSA-N 1 1 452.559 4.512 20 5 JJBDMO COc1ccc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)CC[NH2+]2)cc1 ZINC001454585874 1066305110 /nfs/dbraw/zinc/30/51/10/1066305110.db2.gz NEHSDQZVVSQTEW-JOCHJYFZSA-N 1 1 455.580 4.672 20 5 JJBDMO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)cc2[N+](=O)[O-])C1 ZINC001444163291 1066422594 /nfs/dbraw/zinc/42/25/94/1066422594.db2.gz GOWZQSRCZZFCKC-LNRXMEIDSA-N 1 1 456.631 4.804 20 5 JJBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001361220529 1066558149 /nfs/dbraw/zinc/55/81/49/1066558149.db2.gz UOUAUHXPGGIIOD-INIZCTEOSA-N 1 1 455.864 4.775 20 5 JJBDMO C[C@@]1(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456557176 1066624205 /nfs/dbraw/zinc/62/42/05/1066624205.db2.gz XFFJBTQZRFOPPK-LBNVMWSVSA-N 1 1 471.557 4.732 20 5 JJBDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001458156564 1066991745 /nfs/dbraw/zinc/99/17/45/1066991745.db2.gz UNQZHKHDTZKNJS-SBUREZEXSA-N 1 1 458.990 4.643 20 5 JJBDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001458156564 1066991754 /nfs/dbraw/zinc/99/17/54/1066991754.db2.gz UNQZHKHDTZKNJS-SBUREZEXSA-N 1 1 458.990 4.643 20 5 JJBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])C1 ZINC001458475494 1067071575 /nfs/dbraw/zinc/07/15/75/1067071575.db2.gz YHRHNAJFCFWOLI-SFHVURJKSA-N 1 1 455.356 4.659 20 5 JJBDMO C[C@@H](NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1Cl ZINC001459643290 1067370881 /nfs/dbraw/zinc/37/08/81/1067370881.db2.gz JEHKSJHAJMFCFM-CQSZACIVSA-N 1 1 452.338 4.622 20 5 JJBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC001459840712 1067448173 /nfs/dbraw/zinc/44/81/73/1067448173.db2.gz DYRIDVVNKOBNMW-UHFFFAOYSA-N 1 1 454.365 4.580 20 5 JJBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC001459840712 1067448177 /nfs/dbraw/zinc/44/81/77/1067448177.db2.gz DYRIDVVNKOBNMW-UHFFFAOYSA-N 1 1 454.365 4.580 20 5 JJBDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)C1 ZINC001460011842 1067526761 /nfs/dbraw/zinc/52/67/61/1067526761.db2.gz ONTJTMLWIJDTCQ-FQEVSTJZSA-N 1 1 454.365 4.580 20 5 JJBDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)C1 ZINC001460011842 1067526766 /nfs/dbraw/zinc/52/67/66/1067526766.db2.gz ONTJTMLWIJDTCQ-FQEVSTJZSA-N 1 1 454.365 4.580 20 5 JJBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1)OCc1ccccc1 ZINC001460048483 1067538839 /nfs/dbraw/zinc/53/88/39/1067538839.db2.gz ZFFGTSMGILGEEM-KRWDZBQOSA-N 1 1 451.445 4.752 20 5 JJBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1)OCc1ccccc1 ZINC001460048483 1067538844 /nfs/dbraw/zinc/53/88/44/1067538844.db2.gz ZFFGTSMGILGEEM-KRWDZBQOSA-N 1 1 451.445 4.752 20 5 JJBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC001460137801 1067562907 /nfs/dbraw/zinc/56/29/07/1067562907.db2.gz OCRSHKYSSKFHCN-VBKZILBWSA-N 1 1 451.445 4.713 20 5 JJBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC001460137801 1067562912 /nfs/dbraw/zinc/56/29/12/1067562912.db2.gz OCRSHKYSSKFHCN-VBKZILBWSA-N 1 1 451.445 4.713 20 5 JJBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001460301631 1067602443 /nfs/dbraw/zinc/60/24/43/1067602443.db2.gz LDWQAMMCBABYIA-TYCQWZJGSA-N 1 1 464.522 4.763 20 5 JJBDMO COc1cc(C(=O)N2CC[N@@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)c([N+](=O)[O-])cc1F ZINC001460327518 1067609522 /nfs/dbraw/zinc/60/95/22/1067609522.db2.gz YPYVTGLLRZFZQC-FQEVSTJZSA-N 1 1 457.546 4.548 20 5 JJBDMO COc1cc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC001460739965 1067712961 /nfs/dbraw/zinc/71/29/61/1067712961.db2.gz BWPBTVQKLZOFNZ-NSHDSACASA-N 1 1 450.360 4.997 20 5 JJBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001460761275 1067718890 /nfs/dbraw/zinc/71/88/90/1067718890.db2.gz ILSCXYJBHQPLMR-AYCKEJKLSA-N 1 1 479.577 4.999 20 5 JJBDMO CC(C)N(C(=O)c1sc(Br)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001461111874 1067784079 /nfs/dbraw/zinc/78/40/79/1067784079.db2.gz GRJKYFOHBIJBNT-OAHLLOKOSA-N 1 1 452.374 4.544 20 5 JJBDMO C[N@@H+]1CC[C@H](CNCc2c(Br)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC001461406552 1067847740 /nfs/dbraw/zinc/84/77/40/1067847740.db2.gz MVKMFQLQZLXRLG-BFUOFWGJSA-N 1 1 456.743 4.932 20 5 JJBDMO C[N@H+]1CC[C@H](CNCc2c(Br)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC001461406552 1067847748 /nfs/dbraw/zinc/84/77/48/1067847748.db2.gz MVKMFQLQZLXRLG-BFUOFWGJSA-N 1 1 456.743 4.932 20 5 JJBDMO COc1cc(C[NH2+][C@@H]2CCOc3c(OC)cccc32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001461604464 1067900082 /nfs/dbraw/zinc/90/00/82/1067900082.db2.gz GJBRNHOESSMMIM-HXUWFJFHSA-N 1 1 450.491 4.804 20 5 JJBDMO CCc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC001462107204 1068004952 /nfs/dbraw/zinc/00/49/52/1068004952.db2.gz KZCYEFDRINGPOR-LOSJGSFVSA-N 1 1 459.546 4.564 20 5 JJBDMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001462240263 1068035979 /nfs/dbraw/zinc/03/59/79/1068035979.db2.gz ZMRLJESZYFVBTI-XMMPIXPASA-N 1 1 458.562 4.991 20 5 JJBDMO CC[N@@H+](CCC1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1)CC1CC1 ZINC001546136863 1068302059 /nfs/dbraw/zinc/30/20/59/1068302059.db2.gz VMLDPBBPCQGFDM-UHFFFAOYSA-N 1 1 456.631 4.805 20 5 JJBDMO CC[NH+](CC)[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccsc1 ZINC001464138079 1068629905 /nfs/dbraw/zinc/62/99/05/1068629905.db2.gz CHTVUECGJGHIHS-NRFANRHFSA-N 1 1 455.530 4.834 20 5 JJBDMO Cc1ccc(-c2nc3sccc3c(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)n2)cc1[N+](=O)[O-] ZINC001164650503 719314974 /nfs/dbraw/zinc/31/49/74/719314974.db2.gz FRBBNMLEUPBXQW-UHFFFAOYSA-N 1 1 491.621 4.977 20 5 JJBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc4ncnc(Cl)c4cc2[N+](=O)[O-])CC3)cs1 ZINC001164692054 719806861 /nfs/dbraw/zinc/80/68/61/719806861.db2.gz FKUIDDOWNDVMFE-UHFFFAOYSA-N 1 1 458.975 4.591 20 5 JJBDMO CCc1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164705936 719899431 /nfs/dbraw/zinc/89/94/31/719899431.db2.gz GCWGHKVBZOHVTA-UHFFFAOYSA-N 1 1 479.606 4.547 20 5 JJBDMO Cc1ccc(-c2nc3sccc3c(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)cc1[N+](=O)[O-] ZINC001164735055 720441580 /nfs/dbraw/zinc/44/15/80/720441580.db2.gz VGQWMPZCPFMKBK-RTWAWAEBSA-N 1 1 472.574 4.823 20 5 JJBDMO Cc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164838191 720716515 /nfs/dbraw/zinc/71/65/15/720716515.db2.gz HCIKLXCYQWOQRF-XMMPIXPASA-N 1 1 473.577 4.620 20 5 JJBDMO CCc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164836489 720718153 /nfs/dbraw/zinc/71/81/53/720718153.db2.gz BLIHHTOMSCBFSH-RUZDIDTESA-N 1 1 487.604 4.874 20 5 JJBDMO Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164747834 720880310 /nfs/dbraw/zinc/88/03/10/720880310.db2.gz BXWKBABYDVAOHD-LXFBAYGMSA-N 1 1 487.604 4.602 20 5 JJBDMO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164788852 721410674 /nfs/dbraw/zinc/41/06/74/721410674.db2.gz SDRTXFXOPSGSSN-ZIAGYGMSSA-N 1 1 475.933 4.599 20 5 JJBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CC2 ZINC001164791233 721473382 /nfs/dbraw/zinc/47/33/82/721473382.db2.gz VMQDVUUJGGVTMW-QHCPKHFHSA-N 1 1 498.599 4.530 20 5 JJBDMO Clc1ccc2ccc3ccc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)nc3c2n1 ZINC001164975765 722120858 /nfs/dbraw/zinc/12/08/58/722120858.db2.gz KTENWWZXWPWPLD-YADHBBJMSA-N 1 1 459.981 4.559 20 5 JJBDMO CC(C)[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCCC[C@@H]2C)CCS1 ZINC001359746946 1064325199 /nfs/dbraw/zinc/32/51/99/1064325199.db2.gz PTLBUGUXNARYNF-UGKGYDQZSA-N 1 1 472.659 4.696 20 5 JJBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001435164069 1064559961 /nfs/dbraw/zinc/55/99/61/1064559961.db2.gz VQJRHGSCAKLFLM-IAGOWNOFSA-N 1 1 457.939 4.834 20 5 JJBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435251505 1064628311 /nfs/dbraw/zinc/62/83/11/1064628311.db2.gz CMPOLNDHTVVEEL-XMSQKQJNSA-N 1 1 457.596 4.506 20 5 JJBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435251505 1064628318 /nfs/dbraw/zinc/62/83/18/1064628318.db2.gz CMPOLNDHTVVEEL-XMSQKQJNSA-N 1 1 457.596 4.506 20 5 JJBDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCC(F)(F)F)C1 ZINC001360007203 1064794731 /nfs/dbraw/zinc/79/47/31/1064794731.db2.gz AKGJTDITLQZIGQ-QGZVFWFLSA-N 1 1 468.524 4.610 20 5 JJBDMO C[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001435567051 1064838022 /nfs/dbraw/zinc/83/80/22/1064838022.db2.gz RONDYKRCYGSJOR-RTWAWAEBSA-N 1 1 459.546 4.909 20 5 JJBDMO C[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001435567051 1064838029 /nfs/dbraw/zinc/83/80/29/1064838029.db2.gz RONDYKRCYGSJOR-RTWAWAEBSA-N 1 1 459.546 4.909 20 5 JJBDMO CCCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360128780 1065023819 /nfs/dbraw/zinc/02/38/19/1065023819.db2.gz CXZOFEILKDHGFI-RXVVDRJESA-N 1 1 459.974 4.919 20 5 JJBDMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001360138805 1065035049 /nfs/dbraw/zinc/03/50/49/1065035049.db2.gz KAHPCRLLXVJRJG-PKOBYXMFSA-N 1 1 480.535 4.752 20 5 JJBDMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2nc(C(C)(C)C)cs2)CC1 ZINC001360143482 1065043625 /nfs/dbraw/zinc/04/36/25/1065043625.db2.gz HMLRWBYSRCCVFA-UHFFFAOYSA-N 1 1 497.669 4.771 20 5 JJBDMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001436435722 1065318951 /nfs/dbraw/zinc/31/89/51/1065318951.db2.gz YREBXCOOLPEOIN-JOCHJYFZSA-N 1 1 455.624 4.879 20 5 JJBDMO COC(=O)c1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc([N+](=O)[O-])c1 ZINC001360852776 1065967886 /nfs/dbraw/zinc/96/78/86/1065967886.db2.gz OYZWFHXEGHAMTC-LOSJGSFVSA-N 1 1 473.529 4.544 20 5 JJBDMO CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001454013323 1066235162 /nfs/dbraw/zinc/23/51/62/1066235162.db2.gz RVGQBKSEDAYWMG-HNNXBMFYSA-N 1 1 453.486 4.979 20 5 JJBDMO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001443390295 1066305615 /nfs/dbraw/zinc/30/56/15/1066305615.db2.gz ZNRXHNJUENHZHP-UHFFFAOYSA-N 1 1 457.918 4.518 20 5 JJBDMO CC[C@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001546064563 1066321395 /nfs/dbraw/zinc/32/13/95/1066321395.db2.gz ROBFBKSCXZJYRG-CJFMBICVSA-N 1 1 454.619 4.992 20 5 JJBDMO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC001456767999 1066683910 /nfs/dbraw/zinc/68/39/10/1066683910.db2.gz CZNQLWMWOAEBIF-WZONZLPQSA-N 1 1 456.612 4.706 20 5 JJBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001446965869 1066759789 /nfs/dbraw/zinc/75/97/89/1066759789.db2.gz IYDJVDQUSVXEFI-HMVXKNIBSA-N 1 1 450.564 4.686 20 5 JJBDMO C[NH+]1CCN(c2ccc(Nc3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])cc2Cl)CC1 ZINC001458149471 1066988358 /nfs/dbraw/zinc/98/83/58/1066988358.db2.gz CKAUZDCGBYLPJB-UHFFFAOYSA-N 1 1 450.926 4.975 20 5 JJBDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001458155805 1066991288 /nfs/dbraw/zinc/99/12/88/1066991288.db2.gz RXNOSHHRGUAXGN-SBUREZEXSA-N 1 1 458.990 4.643 20 5 JJBDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001458155805 1066991298 /nfs/dbraw/zinc/99/12/98/1066991298.db2.gz RXNOSHHRGUAXGN-SBUREZEXSA-N 1 1 458.990 4.643 20 5 JJBDMO C[C@@H]1CN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC001450489014 1067085103 /nfs/dbraw/zinc/08/51/03/1067085103.db2.gz PEXGGOMKIIXHTN-OKILXGFUSA-N 1 1 453.486 4.929 20 5 JJBDMO C[C@@H]1CN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC001450489014 1067085116 /nfs/dbraw/zinc/08/51/16/1067085116.db2.gz PEXGGOMKIIXHTN-OKILXGFUSA-N 1 1 453.486 4.929 20 5 JJBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(C[C@H]3CC[C@H](C(F)(F)F)O3)CC2)s1 ZINC001459316384 1067292082 /nfs/dbraw/zinc/29/20/82/1067292082.db2.gz WPQZEQUNRDHIGK-FOIQADDNSA-N 1 1 455.502 4.551 20 5 JJBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC001459470917 1067333057 /nfs/dbraw/zinc/33/30/57/1067333057.db2.gz VDNOQSGZWPWWIH-SFHVURJKSA-N 1 1 454.445 4.678 20 5 JJBDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001459592572 1067359214 /nfs/dbraw/zinc/35/92/14/1067359214.db2.gz ZNHBMDAPJSJFQN-GFCCVEGCSA-N 1 1 456.292 4.915 20 5 JJBDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001459592572 1067359225 /nfs/dbraw/zinc/35/92/25/1067359225.db2.gz ZNHBMDAPJSJFQN-GFCCVEGCSA-N 1 1 456.292 4.915 20 5 JJBDMO O=C(Nc1cccc(Br)c1)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001459715891 1067393949 /nfs/dbraw/zinc/39/39/49/1067393949.db2.gz SPUYIVSDHWHKAF-UHFFFAOYSA-N 1 1 452.736 4.861 20 5 JJBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1Br)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459798474 1067428678 /nfs/dbraw/zinc/42/86/78/1067428678.db2.gz RQUULHSNLQWNOM-XYPWUTKMSA-N 1 1 454.365 4.720 20 5 JJBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459798474 1067428681 /nfs/dbraw/zinc/42/86/81/1067428681.db2.gz RQUULHSNLQWNOM-XYPWUTKMSA-N 1 1 454.365 4.720 20 5 JJBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 ZINC001460084419 1067549817 /nfs/dbraw/zinc/54/98/17/1067549817.db2.gz BHIORGPSBDRVJF-MRXNPFEDSA-N 1 1 451.445 4.830 20 5 JJBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](Cc3cccc(I)c3)C2)c1 ZINC001460135053 1067561583 /nfs/dbraw/zinc/56/15/83/1067561583.db2.gz LTRWAVAUYOCHKJ-CQSZACIVSA-N 1 1 456.711 4.917 20 5 JJBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(Cc3nc(C4CCCCC4)no3)CC2)cccc1[N+](=O)[O-] ZINC001460510123 1067646640 /nfs/dbraw/zinc/64/66/40/1067646640.db2.gz KELIHJUVUZPWER-QGZVFWFLSA-N 1 1 455.559 4.616 20 5 JJBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001460627811 1067677410 /nfs/dbraw/zinc/67/74/10/1067677410.db2.gz KJHGVADQBASDMV-OAHLLOKOSA-N 1 1 453.244 4.792 20 5 JJBDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001460669331 1067694566 /nfs/dbraw/zinc/69/45/66/1067694566.db2.gz WVZYOXKQLJYGEN-CRAIPNDOSA-N 1 1 454.365 4.579 20 5 JJBDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001460669331 1067694572 /nfs/dbraw/zinc/69/45/72/1067694572.db2.gz WVZYOXKQLJYGEN-CRAIPNDOSA-N 1 1 454.365 4.579 20 5 JJBDMO O=C(C[N@@H+]1CCCSC[C@@H]1c1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001460709378 1067706350 /nfs/dbraw/zinc/70/63/50/1067706350.db2.gz MRPCUTKXMSTLNY-HXUWFJFHSA-N 1 1 454.577 4.837 20 5 JJBDMO O=C(C[N@H+]1CCCSC[C@@H]1c1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001460709378 1067706357 /nfs/dbraw/zinc/70/63/57/1067706357.db2.gz MRPCUTKXMSTLNY-HXUWFJFHSA-N 1 1 454.577 4.837 20 5 JJBDMO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C[C@H](C)CC2 ZINC001460721553 1067709547 /nfs/dbraw/zinc/70/95/47/1067709547.db2.gz BYTGDEQYPCMDMW-QLFBSQMISA-N 1 1 459.568 4.636 20 5 JJBDMO CC(C)N(C(=O)c1sc(Br)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001461111871 1067784175 /nfs/dbraw/zinc/78/41/75/1067784175.db2.gz GRJKYFOHBIJBNT-HNNXBMFYSA-N 1 1 452.374 4.544 20 5 JJBDMO COc1cc(C[NH2+][C@H]2CCOc3c(OC)cccc32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001461604459 1067899778 /nfs/dbraw/zinc/89/97/78/1067899778.db2.gz GJBRNHOESSMMIM-FQEVSTJZSA-N 1 1 450.491 4.804 20 5 JJBDMO CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001461869463 1067950800 /nfs/dbraw/zinc/95/08/00/1067950800.db2.gz JKZOURVFVRRASR-KRWDZBQOSA-N 1 1 454.962 4.813 20 5 JJBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](Cc3csc4ccccc34)C2)cc1[N+](=O)[O-] ZINC001462050382 1067990730 /nfs/dbraw/zinc/99/07/30/1067990730.db2.gz ZUVKZSRZNDUHAE-KRWDZBQOSA-N 1 1 454.548 4.816 20 5 JJBDMO Cc1ccc(-c2nc3sccc3c(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)cc1[N+](=O)[O-] ZINC001164735054 720442467 /nfs/dbraw/zinc/44/24/67/720442467.db2.gz VGQWMPZCPFMKBK-NHCUHLMSSA-N 1 1 472.574 4.823 20 5 JJBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])CC2 ZINC001164837596 720676780 /nfs/dbraw/zinc/67/67/80/720676780.db2.gz DGFQWRLRUSJGOO-INIZCTEOSA-N 1 1 451.354 4.557 20 5 JJBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)C2)C1 ZINC001164786081 721354699 /nfs/dbraw/zinc/35/46/99/721354699.db2.gz WBNPMRWGXLGXGN-DEOSSOPVSA-N 1 1 485.972 4.520 20 5 JJBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)C2)C1 ZINC001164786081 721354702 /nfs/dbraw/zinc/35/47/02/721354702.db2.gz WBNPMRWGXLGXGN-DEOSSOPVSA-N 1 1 485.972 4.520 20 5 JJBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CC2 ZINC001164791232 721472646 /nfs/dbraw/zinc/47/26/46/721472646.db2.gz VMQDVUUJGGVTMW-HSZRJFAPSA-N 1 1 498.599 4.530 20 5 JJBDMO Cc1ccc(-c2ccc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nn2)cc1[N+](=O)[O-] ZINC001164795449 721498575 /nfs/dbraw/zinc/49/85/75/721498575.db2.gz HHZYLVWUPWFSHT-UHFFFAOYSA-N 1 1 458.566 4.636 20 5 JJBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)C2 ZINC001164911664 721765432 /nfs/dbraw/zinc/76/54/32/721765432.db2.gz QSWMFMOVLBTDLG-UHFFFAOYSA-N 1 1 473.508 4.979 20 5 JJBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)C2 ZINC001164911664 721765434 /nfs/dbraw/zinc/76/54/34/721765434.db2.gz QSWMFMOVLBTDLG-UHFFFAOYSA-N 1 1 473.508 4.979 20 5 JJBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC001165023951 721824286 /nfs/dbraw/zinc/82/42/86/721824286.db2.gz IWGIVERAPYDCSF-BSLALVQMSA-N 1 1 451.958 4.928 20 5 JJBDMO CC(C)[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCCC[C@H]2C)CCS1 ZINC001359746944 1064324936 /nfs/dbraw/zinc/32/49/36/1064324936.db2.gz PTLBUGUXNARYNF-KNQAVFIVSA-N 1 1 472.659 4.696 20 5 JJBDMO CC(C)[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCCC[C@H]2C)CCS1 ZINC001359746943 1064325090 /nfs/dbraw/zinc/32/50/90/1064325090.db2.gz PTLBUGUXNARYNF-DENIHFKCSA-N 1 1 472.659 4.696 20 5 JJBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1Cc1ccccc1 ZINC001435204579 1064590323 /nfs/dbraw/zinc/59/03/23/1064590323.db2.gz QTWDDFYVBAHUMR-XLIONFOSSA-N 1 1 450.564 4.843 20 5 JJBDMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001360138804 1065034949 /nfs/dbraw/zinc/03/49/49/1065034949.db2.gz KAHPCRLLXVJRJG-MJGOQNOKSA-N 1 1 480.535 4.752 20 5 JJBDMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)c1 ZINC001435927774 1065067635 /nfs/dbraw/zinc/06/76/35/1065067635.db2.gz SJRCKTPKCKQHSL-BJKOFHAPSA-N 1 1 459.546 4.874 20 5 JJBDMO C[C@H]1C[C@@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001360459345 1065361074 /nfs/dbraw/zinc/36/10/74/1065361074.db2.gz HPKPOCQJLBKFAC-ZFWWWQNUSA-N 1 1 452.374 4.544 20 5 JJBDMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001440732016 1065971947 /nfs/dbraw/zinc/97/19/47/1065971947.db2.gz GHZJEWSQLDQZHN-HXUWFJFHSA-N 1 1 456.955 4.939 20 5 JJBDMO COc1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001441897581 1066080045 /nfs/dbraw/zinc/08/00/45/1066080045.db2.gz UXYABJHJKSDVIQ-AWEZNQCLSA-N 1 1 458.902 4.620 20 5 JJBDMO Cc1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cs1 ZINC001361071013 1066310827 /nfs/dbraw/zinc/31/08/27/1066310827.db2.gz BJDJNJOUPHUIAZ-UHFFFAOYSA-N 1 1 454.600 4.582 20 5 JJBDMO CC[N@@H+](CCNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(C)C ZINC001443445021 1066311919 /nfs/dbraw/zinc/31/19/19/1066311919.db2.gz UCJHLEAPVNJMOD-XDJHFCHBSA-N 1 1 452.580 4.982 20 5 JJBDMO C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC001455809821 1066435217 /nfs/dbraw/zinc/43/52/17/1066435217.db2.gz GKYYPHDMODZLOA-UHFFFAOYSA-N 1 1 458.518 4.768 20 5 JJBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001446965864 1066759929 /nfs/dbraw/zinc/75/99/29/1066759929.db2.gz IYDJVDQUSVXEFI-GORXNEINSA-N 1 1 450.564 4.686 20 5 JJBDMO C[C@@H](SCC[N@@H+](C)Cc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001459046823 1067238326 /nfs/dbraw/zinc/23/83/26/1067238326.db2.gz NPNMDYCODGEWJI-MRXNPFEDSA-N 1 1 456.593 4.911 20 5 JJBDMO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001459387272 1067310076 /nfs/dbraw/zinc/31/00/76/1067310076.db2.gz MGCPNGHJWJSILQ-OAQYLSRUSA-N 1 1 456.543 4.861 20 5 JJBDMO O=[N+]([O-])c1cc(I)cc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC001459399540 1067313149 /nfs/dbraw/zinc/31/31/49/1067313149.db2.gz PLHRPAIFLAXQMP-UHFFFAOYSA-N 1 1 454.283 4.793 20 5 JJBDMO C[C@@H]1C[C@@H](N(C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC[N@H+]1Cc1ccccc1 ZINC001459607397 1067362322 /nfs/dbraw/zinc/36/23/22/1067362322.db2.gz XOXGSBXWOCKUMM-APWZRJJASA-N 1 1 455.946 4.783 20 5 JJBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001459663136 1067375481 /nfs/dbraw/zinc/37/54/81/1067375481.db2.gz MITDQWGMVHRGPX-GDBMZVCRSA-N 1 1 455.902 4.505 20 5 JJBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001459663136 1067375485 /nfs/dbraw/zinc/37/54/85/1067375485.db2.gz MITDQWGMVHRGPX-GDBMZVCRSA-N 1 1 455.902 4.505 20 5 JJBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001460137806 1067562775 /nfs/dbraw/zinc/56/27/75/1067562775.db2.gz OCRSHKYSSKFHCN-XOBRGWDASA-N 1 1 451.445 4.713 20 5 JJBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001460137806 1067562779 /nfs/dbraw/zinc/56/27/79/1067562779.db2.gz OCRSHKYSSKFHCN-XOBRGWDASA-N 1 1 451.445 4.713 20 5 JJBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC001460137796 1067562810 /nfs/dbraw/zinc/56/28/10/1067562810.db2.gz OCRSHKYSSKFHCN-JLTOFOAXSA-N 1 1 451.445 4.713 20 5 JJBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC001460137796 1067562816 /nfs/dbraw/zinc/56/28/16/1067562816.db2.gz OCRSHKYSSKFHCN-JLTOFOAXSA-N 1 1 451.445 4.713 20 5 JJBDMO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001460172680 1067570022 /nfs/dbraw/zinc/57/00/22/1067570022.db2.gz GYROCWSDJFMOOJ-LJQANCHMSA-N 1 1 451.445 4.794 20 5 JJBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001460172680 1067570029 /nfs/dbraw/zinc/57/00/29/1067570029.db2.gz GYROCWSDJFMOOJ-LJQANCHMSA-N 1 1 451.445 4.794 20 5 JJBDMO COc1cc(C(=O)N2CC[N@@H+](CCCc3ccccc3)C[C@H]2CC(C)C)c([N+](=O)[O-])cc1F ZINC001460327523 1067609444 /nfs/dbraw/zinc/60/94/44/1067609444.db2.gz YPYVTGLLRZFZQC-HXUWFJFHSA-N 1 1 457.546 4.548 20 5 JJBDMO C[C@H](C(=O)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001460347892 1067613756 /nfs/dbraw/zinc/61/37/56/1067613756.db2.gz MCWHKPPUHQGZEQ-LVXARBLLSA-N 1 1 458.562 4.787 20 5 JJBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001460478709 1067641782 /nfs/dbraw/zinc/64/17/82/1067641782.db2.gz MWYVPYHMIAQEPY-HNNXBMFYSA-N 1 1 451.445 4.865 20 5 JJBDMO CN(CC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br)C(=O)OC(C)(C)C ZINC001460974803 1067755499 /nfs/dbraw/zinc/75/54/99/1067755499.db2.gz SRQOYVRMHVKAPP-INIZCTEOSA-N 1 1 456.381 4.969 20 5 JJBDMO CN(CC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Br)C(=O)OC(C)(C)C ZINC001460974803 1067755505 /nfs/dbraw/zinc/75/55/05/1067755505.db2.gz SRQOYVRMHVKAPP-INIZCTEOSA-N 1 1 456.381 4.969 20 5 JJBDMO Nc1c(Br)cc(Br)cc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001461871519 1067951656 /nfs/dbraw/zinc/95/16/56/1067951656.db2.gz QYQFVVQYIJWTIL-UHFFFAOYSA-N 1 1 455.150 4.867 20 5 JJBDMO Nc1c(Br)cc(Br)cc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001461871519 1067951662 /nfs/dbraw/zinc/95/16/62/1067951662.db2.gz QYQFVVQYIJWTIL-UHFFFAOYSA-N 1 1 455.150 4.867 20 5 JJBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H](Cc3csc4ccccc34)C2)cc1[N+](=O)[O-] ZINC001462050389 1067990770 /nfs/dbraw/zinc/99/07/70/1067990770.db2.gz ZUVKZSRZNDUHAE-QGZVFWFLSA-N 1 1 454.548 4.816 20 5 JJBDMO COc1ccc([C@@H]2C[N@@H+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462517691 1068089816 /nfs/dbraw/zinc/08/98/16/1068089816.db2.gz IBKZYRIVAYNTSM-ZOYNPUSRSA-N 1 1 467.566 4.999 20 5 JJBDMO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725084 720385464 /nfs/dbraw/zinc/38/54/64/720385464.db2.gz LRYHZKAOZJOTGZ-RBUKOAKNSA-N 1 1 469.904 4.823 20 5 JJBDMO Cc1ccc(-c2nc3sccc3c(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)cc1[N+](=O)[O-] ZINC001164735056 720441945 /nfs/dbraw/zinc/44/19/45/720441945.db2.gz VGQWMPZCPFMKBK-SFTDATJTSA-N 1 1 472.574 4.823 20 5 JJBDMO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723141 720483844 /nfs/dbraw/zinc/48/38/44/720483844.db2.gz BXGJCLQPPAHDFZ-DQEYMECFSA-N 1 1 481.556 4.970 20 5 JJBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164787739 721366921 /nfs/dbraw/zinc/36/69/21/721366921.db2.gz ZPNLTTPAUHOBTR-DEOSSOPVSA-N 1 1 485.972 4.520 20 5 JJBDMO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164785448 721438497 /nfs/dbraw/zinc/43/84/97/721438497.db2.gz NGXYHLUDDQRQIO-SFTDATJTSA-N 1 1 487.585 4.747 20 5 JJBDMO O=[N+]([O-])c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1-c1ccc(F)cc1 ZINC001164912598 721736910 /nfs/dbraw/zinc/73/69/10/721736910.db2.gz OHVWANBJYWUNSK-DEOSSOPVSA-N 1 1 483.494 4.929 20 5 JJBDMO CCc1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164912560 721762792 /nfs/dbraw/zinc/76/27/92/721762792.db2.gz ZXRATSXKSRBBFR-UHFFFAOYSA-N 1 1 484.560 4.797 20 5 JJBDMO CCc1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164912560 721762795 /nfs/dbraw/zinc/76/27/95/721762795.db2.gz ZXRATSXKSRBBFR-UHFFFAOYSA-N 1 1 484.560 4.797 20 5 JJBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC001165023958 721824247 /nfs/dbraw/zinc/82/42/47/721824247.db2.gz IWGIVERAPYDCSF-XUEUYAKLSA-N 1 1 451.958 4.928 20 5 JJBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@@H]21 ZINC001165030532 721828377 /nfs/dbraw/zinc/82/83/77/721828377.db2.gz ZQUAEENBKCHRQI-QMHWCDLVSA-N 1 1 478.984 4.837 20 5 JJBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@H]21 ZINC001165029002 721830977 /nfs/dbraw/zinc/83/09/77/721830977.db2.gz WGYUDSVJHLQVQV-UEVCKROQSA-N 1 1 461.541 4.928 20 5 JJBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@@H]21 ZINC001165025695 721831066 /nfs/dbraw/zinc/83/10/66/721831066.db2.gz NMJGQGFRDVJOFF-SLYNCCJLSA-N 1 1 451.958 4.928 20 5 JJBDMO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001435204778 1064590762 /nfs/dbraw/zinc/59/07/62/1064590762.db2.gz AKMQQFMRKZVPRG-NRFANRHFSA-N 1 1 450.583 4.568 20 5 JJBDMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001435296701 1064672917 /nfs/dbraw/zinc/67/29/17/1064672917.db2.gz IRNRRGWQEGQEKT-ATIYNZHBSA-N 1 1 465.594 4.759 20 5 JJBDMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001360138681 1065034841 /nfs/dbraw/zinc/03/48/41/1065034841.db2.gz JDPXILAHAJARAB-IBGZPJMESA-N 1 1 498.031 4.701 20 5 JJBDMO C[C@]1(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001436095032 1065176501 /nfs/dbraw/zinc/17/65/01/1065176501.db2.gz HILNVUDJCBIEBJ-HHHXNRCGSA-N 1 1 458.562 4.849 20 5 JJBDMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001440733121 1065972202 /nfs/dbraw/zinc/97/22/02/1065972202.db2.gz IZNBLTOWLMQPDK-GOSISDBHSA-N 1 1 452.736 4.578 20 5 JJBDMO Cc1nc([C@H]2CCCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CC[N@H+](C)C(C)C)C2)sc1C ZINC001360893995 1066046130 /nfs/dbraw/zinc/04/61/30/1066046130.db2.gz CZSHTSVCXBJQME-FQEVSTJZSA-N 1 1 483.642 4.651 20 5 JJBDMO C[C@@H]1C[C@@H](NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC[N@H+]1C ZINC001445059838 1066535940 /nfs/dbraw/zinc/53/59/40/1066535940.db2.gz YLGBRJNWAZDLQM-USSWQLSGSA-N 1 1 450.564 4.734 20 5 JJBDMO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001445086748 1066538170 /nfs/dbraw/zinc/53/81/70/1066538170.db2.gz YAIWQBACXGVMJN-DEOSSOPVSA-N 1 1 457.958 4.532 20 5 JJBDMO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001445086769 1066538188 /nfs/dbraw/zinc/53/81/88/1066538188.db2.gz YAIWQBACXGVMJN-XMMPIXPASA-N 1 1 457.958 4.532 20 5 JJBDMO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC001456767986 1066684007 /nfs/dbraw/zinc/68/40/07/1066684007.db2.gz CZNQLWMWOAEBIF-FDDCHVKYSA-N 1 1 456.612 4.706 20 5 JJBDMO O=[N+]([O-])c1cc(CO)c(N2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)cc1F ZINC001458150809 1066989015 /nfs/dbraw/zinc/98/90/15/1066989015.db2.gz LARAMDSDXPPOPY-XMMPIXPASA-N 1 1 455.917 4.791 20 5 JJBDMO COc1c(C)c[nH+]c(CN2CCC(N(C)c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)c1C ZINC001458172818 1066995910 /nfs/dbraw/zinc/99/59/10/1066995910.db2.gz XWPZIUUYXYGFAQ-UHFFFAOYSA-N 1 1 452.477 4.735 20 5 JJBDMO CCC(CC)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@H+](C(C)C)CC1)SC ZINC001545772845 1067062330 /nfs/dbraw/zinc/06/23/30/1067062330.db2.gz OHWRYISORJXDIX-UHFFFAOYSA-N 1 1 460.648 4.696 20 5 JJBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001459488753 1067337219 /nfs/dbraw/zinc/33/72/19/1067337219.db2.gz NLUDCUAHYYQLCZ-OAHLLOKOSA-N 1 1 452.351 4.504 20 5 JJBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc1OC ZINC001459658308 1067373277 /nfs/dbraw/zinc/37/32/77/1067373277.db2.gz WKUFSVYGFYAZOC-ZWKOTPCHSA-N 1 1 450.576 4.972 20 5 JJBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc1OC ZINC001459658308 1067373288 /nfs/dbraw/zinc/37/32/88/1067373288.db2.gz WKUFSVYGFYAZOC-ZWKOTPCHSA-N 1 1 450.576 4.972 20 5 JJBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc1OC ZINC001459658253 1067373361 /nfs/dbraw/zinc/37/33/61/1067373361.db2.gz WKUFSVYGFYAZOC-QZTJIDSGSA-N 1 1 450.576 4.972 20 5 JJBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc1OC ZINC001459658253 1067373373 /nfs/dbraw/zinc/37/33/73/1067373373.db2.gz WKUFSVYGFYAZOC-QZTJIDSGSA-N 1 1 450.576 4.972 20 5 JJBDMO O=C(C[NH2+]C1(c2ccc(F)cc2F)CCCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001459817825 1067437021 /nfs/dbraw/zinc/43/70/21/1067437021.db2.gz NXNNRWHELCGKKA-UHFFFAOYSA-N 1 1 458.490 4.994 20 5 JJBDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001459909696 1067484636 /nfs/dbraw/zinc/48/46/36/1067484636.db2.gz YJHRWHWTGUNTHQ-HIFRSBDPSA-N 1 1 456.572 4.656 20 5 JJBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460014096 1067527906 /nfs/dbraw/zinc/52/79/06/1067527906.db2.gz BAMNXZKVZRPSSX-FCHUYYIVSA-N 1 1 455.555 4.875 20 5 JJBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460014096 1067527914 /nfs/dbraw/zinc/52/79/14/1067527914.db2.gz BAMNXZKVZRPSSX-FCHUYYIVSA-N 1 1 455.555 4.875 20 5 JJBDMO O=C(C[N@H+](Cc1cccc(Br)c1)CC1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001460058343 1067541408 /nfs/dbraw/zinc/54/14/08/1067541408.db2.gz DPSGIASLDZCUDO-UHFFFAOYSA-N 1 1 452.736 4.861 20 5 JJBDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1Br)C2 ZINC001460193409 1067575936 /nfs/dbraw/zinc/57/59/36/1067575936.db2.gz CYQYLTOGNUMWAF-HXUWFJFHSA-N 1 1 454.365 4.580 20 5 JJBDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C2 ZINC001460193409 1067575943 /nfs/dbraw/zinc/57/59/43/1067575943.db2.gz CYQYLTOGNUMWAF-HXUWFJFHSA-N 1 1 454.365 4.580 20 5 JJBDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1Br)C2 ZINC001460193403 1067576150 /nfs/dbraw/zinc/57/61/50/1067576150.db2.gz CYQYLTOGNUMWAF-FQEVSTJZSA-N 1 1 454.365 4.580 20 5 JJBDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C2 ZINC001460193403 1067576156 /nfs/dbraw/zinc/57/61/56/1067576156.db2.gz CYQYLTOGNUMWAF-FQEVSTJZSA-N 1 1 454.365 4.580 20 5 JJBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)c1 ZINC001460294429 1067600631 /nfs/dbraw/zinc/60/06/31/1067600631.db2.gz DCZVFWDAHJRKDF-MRXNPFEDSA-N 1 1 458.246 4.685 20 5 JJBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)c1 ZINC001460294429 1067600634 /nfs/dbraw/zinc/60/06/34/1067600634.db2.gz DCZVFWDAHJRKDF-MRXNPFEDSA-N 1 1 458.246 4.685 20 5 JJBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001460478717 1067641775 /nfs/dbraw/zinc/64/17/75/1067641775.db2.gz MWYVPYHMIAQEPY-OAHLLOKOSA-N 1 1 451.445 4.865 20 5 JJBDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001460669341 1067694581 /nfs/dbraw/zinc/69/45/81/1067694581.db2.gz WVZYOXKQLJYGEN-YJBOKZPZSA-N 1 1 454.365 4.579 20 5 JJBDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001460669341 1067694583 /nfs/dbraw/zinc/69/45/83/1067694583.db2.gz WVZYOXKQLJYGEN-YJBOKZPZSA-N 1 1 454.365 4.579 20 5 JJBDMO O=C(C[N@@H+]1CCCSC[C@H]1c1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001460709377 1067706178 /nfs/dbraw/zinc/70/61/78/1067706178.db2.gz MRPCUTKXMSTLNY-FQEVSTJZSA-N 1 1 454.577 4.837 20 5 JJBDMO O=C(C[N@H+]1CCCSC[C@H]1c1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001460709377 1067706189 /nfs/dbraw/zinc/70/61/89/1067706189.db2.gz MRPCUTKXMSTLNY-FQEVSTJZSA-N 1 1 454.577 4.837 20 5 JJBDMO O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001460765640 1067719799 /nfs/dbraw/zinc/71/97/99/1067719799.db2.gz QZUHEZIQAMFRBL-FCHUYYIVSA-N 1 1 465.550 4.610 20 5 JJBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001460814156 1067728529 /nfs/dbraw/zinc/72/85/29/1067728529.db2.gz JEGGXCSGGUVGRZ-HNNXBMFYSA-N 1 1 451.445 4.617 20 5 JJBDMO CCOc1cc(N2CCOC(C)(C)C2)ccc1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001462100572 1068002470 /nfs/dbraw/zinc/00/24/70/1068002470.db2.gz BFRWRBBUGYPRKI-UHFFFAOYSA-N 1 1 454.571 4.690 20 5 JJBDMO Cc1c(C(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001463148190 1068303297 /nfs/dbraw/zinc/30/32/97/1068303297.db2.gz KTKBIINDMPADKT-JYFHCDHNSA-N 1 1 474.517 4.600 20 5 JJBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463343567 1068363763 /nfs/dbraw/zinc/36/37/63/1068363763.db2.gz PJTJDOVWSFLYIC-CEXWTWQISA-N 1 1 472.383 4.696 20 5 JJBDMO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2c1 ZINC001164671654 719523248 /nfs/dbraw/zinc/52/32/48/719523248.db2.gz GVURUTNRWQKYAJ-UHFFFAOYSA-N 1 1 470.932 4.807 20 5 JJBDMO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2c1 ZINC001164671654 719523249 /nfs/dbraw/zinc/52/32/49/719523249.db2.gz GVURUTNRWQKYAJ-UHFFFAOYSA-N 1 1 470.932 4.807 20 5 JJBDMO Cc1ccc(-c2ccc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1[N+](=O)[O-] ZINC001164836959 720704230 /nfs/dbraw/zinc/70/42/30/720704230.db2.gz CBVCTLZEKYIWFI-QHCPKHFHSA-N 1 1 473.577 4.620 20 5 JJBDMO CCc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164836490 720717995 /nfs/dbraw/zinc/71/79/95/720717995.db2.gz BLIHHTOMSCBFSH-VWLOTQADSA-N 1 1 487.604 4.874 20 5 JJBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C2)C1 ZINC001164779312 721376155 /nfs/dbraw/zinc/37/61/55/721376155.db2.gz AGYPEUXWIFBIME-SANMLTNESA-N 1 1 495.555 4.520 20 5 JJBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C2)C1 ZINC001164779312 721376161 /nfs/dbraw/zinc/37/61/61/721376161.db2.gz AGYPEUXWIFBIME-SANMLTNESA-N 1 1 495.555 4.520 20 5 JJBDMO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164788849 721410707 /nfs/dbraw/zinc/41/07/07/721410707.db2.gz SDRTXFXOPSGSSN-OKILXGFUSA-N 1 1 475.933 4.599 20 5 JJBDMO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164788849 721410708 /nfs/dbraw/zinc/41/07/08/721410708.db2.gz SDRTXFXOPSGSSN-OKILXGFUSA-N 1 1 475.933 4.599 20 5 JJBDMO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164785447 721438458 /nfs/dbraw/zinc/43/84/58/721438458.db2.gz NGXYHLUDDQRQIO-OYRHEFFESA-N 1 1 487.585 4.747 20 5 JJBDMO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164785447 721438459 /nfs/dbraw/zinc/43/84/59/721438459.db2.gz NGXYHLUDDQRQIO-OYRHEFFESA-N 1 1 487.585 4.747 20 5 JJBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])CC2 ZINC001164791303 721473193 /nfs/dbraw/zinc/47/31/93/721473193.db2.gz WWQKNSKLTWSFBF-FQEVSTJZSA-N 1 1 489.016 4.530 20 5 JJBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])CC2 ZINC001164791305 721473526 /nfs/dbraw/zinc/47/35/26/721473526.db2.gz WWQKNSKLTWSFBF-HXUWFJFHSA-N 1 1 489.016 4.530 20 5 JJBDMO Cc1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164909535 721763055 /nfs/dbraw/zinc/76/30/55/721763055.db2.gz BTXQAFGKQJYPBT-UHFFFAOYSA-N 1 1 470.533 4.543 20 5 JJBDMO Cc1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164909535 721763058 /nfs/dbraw/zinc/76/30/58/721763058.db2.gz BTXQAFGKQJYPBT-UHFFFAOYSA-N 1 1 470.533 4.543 20 5 JJBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001435303046 1064678432 /nfs/dbraw/zinc/67/84/32/1064678432.db2.gz IFVFOPMONRJMME-QHCPKHFHSA-N 1 1 458.562 4.801 20 5 JJBDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)OC2CCCC2)C1 ZINC001360007232 1064794478 /nfs/dbraw/zinc/79/44/78/1064794478.db2.gz APDFUPXZEHXVPL-LJQANCHMSA-N 1 1 456.591 4.532 20 5 JJBDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)OC2CCCC2)C1 ZINC001360007231 1064794771 /nfs/dbraw/zinc/79/47/71/1064794771.db2.gz APDFUPXZEHXVPL-IBGZPJMESA-N 1 1 456.591 4.532 20 5 JJBDMO CC(C)[N@@H+](C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360097270 1064973663 /nfs/dbraw/zinc/97/36/63/1064973663.db2.gz BLXVRIQVGKQECI-UHFFFAOYSA-N 1 1 468.524 4.752 20 5 JJBDMO CN(C)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)cc[nH+]1 ZINC001435758673 1064980092 /nfs/dbraw/zinc/98/00/92/1064980092.db2.gz LIRQFSIZNYXBSE-UHFFFAOYSA-N 1 1 459.550 4.767 20 5 JJBDMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001360138803 1065034925 /nfs/dbraw/zinc/03/49/25/1065034925.db2.gz KAHPCRLLXVJRJG-IEBWSBKVSA-N 1 1 480.535 4.752 20 5 JJBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001436502487 1065336144 /nfs/dbraw/zinc/33/61/44/1065336144.db2.gz USXBZBGAEBYCSL-ZNDGOPKYSA-N 1 1 457.958 4.717 20 5 JJBDMO C[C@H]1C[C@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001360459339 1065360985 /nfs/dbraw/zinc/36/09/85/1065360985.db2.gz HPKPOCQJLBKFAC-DZGCQCFKSA-N 1 1 452.374 4.544 20 5 JJBDMO C[C@@H]1C[C@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001360459343 1065361180 /nfs/dbraw/zinc/36/11/80/1065361180.db2.gz HPKPOCQJLBKFAC-UKRRQHHQSA-N 1 1 452.374 4.544 20 5 JJBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001360459341 1065361212 /nfs/dbraw/zinc/36/12/12/1065361212.db2.gz HPKPOCQJLBKFAC-HIFRSBDPSA-N 1 1 452.374 4.544 20 5 JJBDMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001436632244 1065408048 /nfs/dbraw/zinc/40/80/48/1065408048.db2.gz UFZDZQVTOGFYLP-FCHUYYIVSA-N 1 1 453.901 4.785 20 5 JJBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001438327668 1065709909 /nfs/dbraw/zinc/70/99/09/1065709909.db2.gz MKXJXELRVSGBOV-HYBUGGRVSA-N 1 1 458.562 4.705 20 5 JJBDMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001438572523 1065732843 /nfs/dbraw/zinc/73/28/43/1065732843.db2.gz ALQNZXLPMKVGBP-DEOSSOPVSA-N 1 1 458.562 4.991 20 5 JJBDMO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC001440366082 1065933207 /nfs/dbraw/zinc/93/32/07/1065933207.db2.gz BYLCVBSHIUPRBE-SAHWJRBASA-N 1 1 458.990 4.763 20 5 JJBDMO Cc1occc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001360932047 1066088858 /nfs/dbraw/zinc/08/88/58/1066088858.db2.gz DDLJUERKTFHUOL-IBGZPJMESA-N 1 1 452.559 4.512 20 5 JJBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001361220530 1066557822 /nfs/dbraw/zinc/55/78/22/1066557822.db2.gz UOUAUHXPGGIIOD-MRXNPFEDSA-N 1 1 455.864 4.775 20 5 JJBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001445567094 1066589170 /nfs/dbraw/zinc/58/91/70/1066589170.db2.gz LGKQRXVGTMQYQN-INIZCTEOSA-N 1 1 457.493 4.653 20 5 JJBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001457178886 1066781372 /nfs/dbraw/zinc/78/13/72/1066781372.db2.gz PMJCBFPNNCOZBX-UUOWRZLLSA-N 1 1 457.958 4.530 20 5 JJBDMO Cc1[nH+]ccn1CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001492705494 1066865546 /nfs/dbraw/zinc/86/55/46/1066865546.db2.gz HRFFOSNGSWSDLB-FQEVSTJZSA-N 1 1 451.575 4.711 20 5 JJBDMO CN(CC[N@@H+](C)C1CC1)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001447878749 1066873325 /nfs/dbraw/zinc/87/33/25/1066873325.db2.gz MCUYLNBGDFUBMF-SDXDJHTJSA-N 1 1 450.564 4.688 20 5 JJBDMO C[N@H+]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC12CCCCC2 ZINC001449895107 1067034943 /nfs/dbraw/zinc/03/49/43/1067034943.db2.gz MBFFLHJNRINDIK-UHFFFAOYSA-N 1 1 456.974 4.951 20 5 JJBDMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001458436117 1067059532 /nfs/dbraw/zinc/05/95/32/1067059532.db2.gz DRSKIGQENARKDS-ZEQKJWHPSA-N 1 1 459.546 4.775 20 5 JJBDMO C[C@H](SCC[N@@H+](C)Cc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001459046504 1067238259 /nfs/dbraw/zinc/23/82/59/1067238259.db2.gz NPNMDYCODGEWJI-INIZCTEOSA-N 1 1 456.593 4.911 20 5 JJBDMO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC001459818458 1067437114 /nfs/dbraw/zinc/43/71/14/1067437114.db2.gz KHZDUGYTDFCPAJ-BTYIYWSLSA-N 1 1 452.536 4.749 20 5 JJBDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC001459818458 1067437120 /nfs/dbraw/zinc/43/71/20/1067437120.db2.gz KHZDUGYTDFCPAJ-BTYIYWSLSA-N 1 1 452.536 4.749 20 5 JJBDMO COc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2)[C@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC001459871211 1067467437 /nfs/dbraw/zinc/46/74/37/1067467437.db2.gz QGQKNKWMWYWQOH-QFIPXVFZSA-N 1 1 455.555 4.780 20 5 JJBDMO O=C(C[NH+]1CCC(c2cccc(Br)c2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001460019994 1067530479 /nfs/dbraw/zinc/53/04/79/1067530479.db2.gz GXBMFSHVHQWBRZ-UHFFFAOYSA-N 1 1 452.736 4.829 20 5 JJBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC001460137804 1067562866 /nfs/dbraw/zinc/56/28/66/1067562866.db2.gz OCRSHKYSSKFHCN-VLIAUNLRSA-N 1 1 451.445 4.713 20 5 JJBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC001460137804 1067562870 /nfs/dbraw/zinc/56/28/70/1067562870.db2.gz OCRSHKYSSKFHCN-VLIAUNLRSA-N 1 1 451.445 4.713 20 5 JJBDMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001460319814 1067607196 /nfs/dbraw/zinc/60/71/96/1067607196.db2.gz YWYOPXKRVOYGOL-HOJAQTOUSA-N 1 1 453.967 4.675 20 5 JJBDMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001460319814 1067607199 /nfs/dbraw/zinc/60/71/99/1067607199.db2.gz YWYOPXKRVOYGOL-HOJAQTOUSA-N 1 1 453.967 4.675 20 5 JJBDMO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001460612684 1067672432 /nfs/dbraw/zinc/67/24/32/1067672432.db2.gz WOOGMECXNIHBPK-TZMCWYRMSA-N 1 1 452.736 4.827 20 5 JJBDMO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001460612684 1067672442 /nfs/dbraw/zinc/67/24/42/1067672442.db2.gz WOOGMECXNIHBPK-TZMCWYRMSA-N 1 1 452.736 4.827 20 5 JJBDMO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001460612676 1067672589 /nfs/dbraw/zinc/67/25/89/1067672589.db2.gz WOOGMECXNIHBPK-JSGCOSHPSA-N 1 1 452.736 4.827 20 5 JJBDMO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001460612676 1067672593 /nfs/dbraw/zinc/67/25/93/1067672593.db2.gz WOOGMECXNIHBPK-JSGCOSHPSA-N 1 1 452.736 4.827 20 5 JJBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001461041034 1067767859 /nfs/dbraw/zinc/76/78/59/1067767859.db2.gz FXTYGRFGQHJYDK-HNNXBMFYSA-N 1 1 453.486 4.931 20 5 JJBDMO CCOc1cc(CNc2cccc(C)[nH+]2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001461074442 1067776310 /nfs/dbraw/zinc/77/63/10/1067776310.db2.gz GRALCZVIFPHRNR-UHFFFAOYSA-N 1 1 451.479 4.755 20 5 JJBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H](O)COc3cccc(Cl)c3Cl)cs2)c1 ZINC001461109537 1067783487 /nfs/dbraw/zinc/78/34/87/1067783487.db2.gz HODXLMBXYWDEDY-HNNXBMFYSA-N 1 1 454.335 4.555 20 5 JJBDMO O=[N+]([O-])c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1-c1ccc(F)cc1 ZINC001164705939 719905540 /nfs/dbraw/zinc/90/55/40/719905540.db2.gz GGTIEYBQJIZODO-UHFFFAOYSA-N 1 1 468.554 4.729 20 5 JJBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Oc3ccnc(Cl)c3)c(F)cc1[N+](=O)[O-])C2 ZINC001164814406 720115932 /nfs/dbraw/zinc/11/59/32/720115932.db2.gz SIFRKXUHZYBLMU-MZNJEOGPSA-N 1 1 490.963 4.759 20 5 JJBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccc(C)c([N+](=O)[O-])c3)nc3sccc31)C2 ZINC001164819098 720170310 /nfs/dbraw/zinc/17/03/10/720170310.db2.gz WAPRGAJHSCCHSI-IBVKSMDESA-N 1 1 493.633 4.760 20 5 JJBDMO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725082 720384773 /nfs/dbraw/zinc/38/47/73/720384773.db2.gz LRYHZKAOZJOTGZ-MOPGFXCFSA-N 1 1 469.904 4.823 20 5 JJBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164836928 720723600 /nfs/dbraw/zinc/72/36/00/720723600.db2.gz BXUZYFCRTAMBKU-NRFANRHFSA-N 1 1 493.995 4.965 20 5 JJBDMO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164785444 721438352 /nfs/dbraw/zinc/43/83/52/721438352.db2.gz NGXYHLUDDQRQIO-NHCUHLMSSA-N 1 1 487.585 4.747 20 5 JJBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@H]21 ZINC001165030530 721828588 /nfs/dbraw/zinc/82/85/88/721828588.db2.gz ZQUAEENBKCHRQI-KKLQWCBXSA-N 1 1 478.984 4.837 20 5 JJBDMO Clc1ccc2ccc3ccc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)nc3c2n1 ZINC001164975755 722120543 /nfs/dbraw/zinc/12/05/43/722120543.db2.gz KTENWWZXWPWPLD-FCHUYYIVSA-N 1 1 459.981 4.559 20 5 JJBDMO CC(C)[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCCC(C)(C)C2)CCS1 ZINC001359748225 1064333490 /nfs/dbraw/zinc/33/34/90/1064333490.db2.gz RCLMNLARIQVVJJ-NRFANRHFSA-N 1 1 472.659 4.553 20 5 JJBDMO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1 ZINC001359817180 1064498939 /nfs/dbraw/zinc/49/89/39/1064498939.db2.gz SAUWZCFMCLTPCW-UHFFFAOYSA-N 1 1 458.522 4.769 20 5 JJBDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001435297049 1064672820 /nfs/dbraw/zinc/67/28/20/1064672820.db2.gz KBWBVVQSDPREQJ-UHFFFAOYSA-N 1 1 459.546 4.910 20 5 JJBDMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC001435308870 1064682615 /nfs/dbraw/zinc/68/26/15/1064682615.db2.gz QYCGLLBIBYXPPQ-HSZRJFAPSA-N 1 1 450.583 4.740 20 5 JJBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001435316322 1064688575 /nfs/dbraw/zinc/68/85/75/1064688575.db2.gz MWBLICFBNHUTJQ-MRXNPFEDSA-N 1 1 455.864 4.775 20 5 JJBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001435655879 1064912329 /nfs/dbraw/zinc/91/23/29/1064912329.db2.gz DYIGPDUPWOQAHI-BJKOFHAPSA-N 1 1 479.964 4.789 20 5 JJBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001360117142 1065002416 /nfs/dbraw/zinc/00/24/16/1065002416.db2.gz YMNFHJCQQUMAIX-FQEVSTJZSA-N 1 1 454.619 4.674 20 5 JJBDMO CCCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360128778 1065023901 /nfs/dbraw/zinc/02/39/01/1065023901.db2.gz CXZOFEILKDHGFI-NQIIRXRSSA-N 1 1 459.974 4.919 20 5 JJBDMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(Sc4nc(C)cs4)c([N+](=O)[O-])c3)sc2C1 ZINC000021294402 1065295135 /nfs/dbraw/zinc/29/51/35/1065295135.db2.gz QKZZWOXXHUAFCO-UHFFFAOYSA-N 1 1 461.594 4.598 20 5 JJBDMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(Sc4nc(C)cs4)c([N+](=O)[O-])c3)sc2C1 ZINC000021294402 1065295152 /nfs/dbraw/zinc/29/51/52/1065295152.db2.gz QKZZWOXXHUAFCO-UHFFFAOYSA-N 1 1 461.594 4.598 20 5 JJBDMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001438976306 1065773563 /nfs/dbraw/zinc/77/35/63/1065773563.db2.gz HLZUPFYTZANXIL-QHCPKHFHSA-N 1 1 450.583 4.712 20 5 JJBDMO Cc1c(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001439095942 1065784826 /nfs/dbraw/zinc/78/48/26/1065784826.db2.gz HCOQOVBSCGZKBL-UHFFFAOYSA-N 1 1 454.527 4.685 20 5 JJBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439824426 1065883149 /nfs/dbraw/zinc/88/31/49/1065883149.db2.gz WUOSZORBFSIQAE-LADGPHEKSA-N 1 1 463.965 4.965 20 5 JJBDMO CC1(C)CC[N@@H+](CCNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 ZINC001440034690 1065905896 /nfs/dbraw/zinc/90/58/96/1065905896.db2.gz QBFLJVLYRZUMAY-UHFFFAOYSA-N 1 1 456.593 4.817 20 5 JJBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001441235255 1066017223 /nfs/dbraw/zinc/01/72/23/1066017223.db2.gz IPPIOKQOAXVOCM-LOSJGSFVSA-N 1 1 478.980 4.692 20 5 JJBDMO Cc1nc([C@@H]2CCCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CC[N@H+](C)C(C)C)C2)sc1C ZINC001360893996 1066046090 /nfs/dbraw/zinc/04/60/90/1066046090.db2.gz CZSHTSVCXBJQME-HXUWFJFHSA-N 1 1 483.642 4.651 20 5 JJBDMO Cc1ccsc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001360960049 1066118212 /nfs/dbraw/zinc/11/82/12/1066118212.db2.gz XKJIPGSSNHLHIO-UHFFFAOYSA-N 1 1 468.627 4.828 20 5 JJBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC001443414931 1066308433 /nfs/dbraw/zinc/30/84/33/1066308433.db2.gz WACSQMKRPXXYNL-FQEVSTJZSA-N 1 1 453.608 4.924 20 5 JJBDMO CC[N@@H+](CCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(C)C ZINC001443445020 1066311714 /nfs/dbraw/zinc/31/17/14/1066311714.db2.gz UCJHLEAPVNJMOD-CYVLTUHYSA-N 1 1 452.580 4.982 20 5 JJBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001361165741 1066477165 /nfs/dbraw/zinc/47/71/65/1066477165.db2.gz OFTCXDLKGDKALG-HSZRJFAPSA-N 1 1 459.546 4.768 20 5 JJBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456981353 1066735447 /nfs/dbraw/zinc/73/54/47/1066735447.db2.gz GAHVMIQVKLMQKE-MRXNPFEDSA-N 1 1 455.864 4.775 20 5 JJBDMO Cc1ncc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)s1 ZINC001492695879 1066844262 /nfs/dbraw/zinc/84/42/62/1066844262.db2.gz ORSFYIIVTOQHBY-LJQANCHMSA-N 1 1 483.642 4.623 20 5 JJBDMO Cc1[nH+]ccn1CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001492705495 1066865420 /nfs/dbraw/zinc/86/54/20/1066865420.db2.gz HRFFOSNGSWSDLB-HXUWFJFHSA-N 1 1 451.575 4.711 20 5 JJBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CC1)CC1CC1 ZINC001457726930 1066905349 /nfs/dbraw/zinc/90/53/49/1066905349.db2.gz HDPJKSZUMWFSKO-UHFFFAOYSA-N 1 1 456.631 4.805 20 5 JJBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001451122545 1067147432 /nfs/dbraw/zinc/14/74/32/1067147432.db2.gz ZCHWXFLKBOAQDE-LADGPHEKSA-N 1 1 467.928 4.714 20 5 JJBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)s1 ZINC001459309360 1067289899 /nfs/dbraw/zinc/28/98/99/1067289899.db2.gz FDUTYYJGQTYDTJ-UHFFFAOYSA-N 1 1 456.499 4.688 20 5 JJBDMO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001459530548 1067346220 /nfs/dbraw/zinc/34/62/20/1067346220.db2.gz SPVGCYLRXPCOOD-AWEZNQCLSA-N 1 1 452.338 4.803 20 5 JJBDMO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001459530548 1067346227 /nfs/dbraw/zinc/34/62/27/1067346227.db2.gz SPVGCYLRXPCOOD-AWEZNQCLSA-N 1 1 452.338 4.803 20 5 JJBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cc1OC ZINC001459658226 1067373494 /nfs/dbraw/zinc/37/34/94/1067373494.db2.gz WKUFSVYGFYAZOC-MSOLQXFVSA-N 1 1 450.576 4.972 20 5 JJBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cc1OC ZINC001459658226 1067373505 /nfs/dbraw/zinc/37/35/05/1067373505.db2.gz WKUFSVYGFYAZOC-MSOLQXFVSA-N 1 1 450.576 4.972 20 5 JJBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001459870658 1067467427 /nfs/dbraw/zinc/46/74/27/1067467427.db2.gz PDYWNQWVBKOIPU-HKUYNNGSSA-N 1 1 451.445 4.829 20 5 JJBDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001459909710 1067485210 /nfs/dbraw/zinc/48/52/10/1067485210.db2.gz YJHRWHWTGUNTHQ-ZFWWWQNUSA-N 1 1 456.572 4.656 20 5 JJBDMO C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001460008514 1067525237 /nfs/dbraw/zinc/52/52/37/1067525237.db2.gz WXMPMIDZHJSGKA-GOSISDBHSA-N 1 1 450.564 4.784 20 5 JJBDMO C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001460008514 1067525245 /nfs/dbraw/zinc/52/52/45/1067525245.db2.gz WXMPMIDZHJSGKA-GOSISDBHSA-N 1 1 450.564 4.784 20 5 JJBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H](Cc3cccc(I)c3)C2)c1 ZINC001460135050 1067561671 /nfs/dbraw/zinc/56/16/71/1067561671.db2.gz LTRWAVAUYOCHKJ-AWEZNQCLSA-N 1 1 456.711 4.917 20 5 JJBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)c1 ZINC001460294427 1067600521 /nfs/dbraw/zinc/60/05/21/1067600521.db2.gz DCZVFWDAHJRKDF-INIZCTEOSA-N 1 1 458.246 4.685 20 5 JJBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)c1 ZINC001460294427 1067600527 /nfs/dbraw/zinc/60/05/27/1067600527.db2.gz DCZVFWDAHJRKDF-INIZCTEOSA-N 1 1 458.246 4.685 20 5 JJBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001460627808 1067677355 /nfs/dbraw/zinc/67/73/55/1067677355.db2.gz KJHGVADQBASDMV-HNNXBMFYSA-N 1 1 453.244 4.792 20 5 JJBDMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001460678164 1067698076 /nfs/dbraw/zinc/69/80/76/1067698076.db2.gz ALFAYUFCIVROGQ-LJQANCHMSA-N 1 1 450.564 4.750 20 5 JJBDMO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C[C@H](C)CC2 ZINC001460721548 1067709524 /nfs/dbraw/zinc/70/95/24/1067709524.db2.gz BYTGDEQYPCMDMW-ILXRZTDVSA-N 1 1 459.568 4.636 20 5 JJBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001460761299 1067718922 /nfs/dbraw/zinc/71/89/22/1067718922.db2.gz ILSCXYJBHQPLMR-RIEVBORMSA-N 1 1 479.577 4.999 20 5 JJBDMO COc1cc(CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001461589634 1067895464 /nfs/dbraw/zinc/89/54/64/1067895464.db2.gz GFUVWTOWKXIPDS-RPWUZVMVSA-N 1 1 461.562 4.617 20 5 JJBDMO COc1cc(C[N@H+]2CCC[C@H]2COc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC001461900842 1067958008 /nfs/dbraw/zinc/95/80/08/1067958008.db2.gz RYYNOUINBZVIBI-INIZCTEOSA-N 1 1 456.873 4.944 20 5 JJBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1)OCc1ccccc1 ZINC001462175661 1068022228 /nfs/dbraw/zinc/02/22/28/1068022228.db2.gz HBMOHPCTVZTMLY-KRWDZBQOSA-N 1 1 451.445 4.752 20 5 JJBDMO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccccc1Cl ZINC001463564172 1068445766 /nfs/dbraw/zinc/44/57/66/1068445766.db2.gz XXCQXMQZSMECQI-HSZRJFAPSA-N 1 1 452.942 4.893 20 5 JJBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(-c4ccc(C)c([N+](=O)[O-])c4)nn2)CC3)cs1 ZINC001164691272 719812091 /nfs/dbraw/zinc/81/20/91/719812091.db2.gz CMUKWFNLTKOFGK-UHFFFAOYSA-N 1 1 464.595 4.760 20 5 JJBDMO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164705861 719906540 /nfs/dbraw/zinc/90/65/40/719906540.db2.gz DQWFRPJNMRECJJ-UHFFFAOYSA-N 1 1 458.971 4.729 20 5 JJBDMO O=[N+]([O-])c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1-c1ccccc1 ZINC001164707543 719907146 /nfs/dbraw/zinc/90/71/46/719907146.db2.gz SXDOSYICDYPLKO-UHFFFAOYSA-N 1 1 450.564 4.590 20 5 JJBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])CC2 ZINC001164716077 720114160 /nfs/dbraw/zinc/11/41/60/720114160.db2.gz ITXXSHVUWMKZAS-IBGZPJMESA-N 1 1 481.984 4.699 20 5 JJBDMO Cc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164838189 720717608 /nfs/dbraw/zinc/71/76/08/720717608.db2.gz HCIKLXCYQWOQRF-DEOSSOPVSA-N 1 1 473.577 4.620 20 5 JJBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccc4ccc(Cl)nc4c3n2)[C@H]2CCCO[C@H]12 ZINC001164807975 721557258 /nfs/dbraw/zinc/55/72/58/721557258.db2.gz UCSGDSDWXACSAH-UZINWLIJSA-N 1 1 459.981 4.700 20 5 JJBDMO CCc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164911246 721728809 /nfs/dbraw/zinc/72/88/09/721728809.db2.gz JMOYOHDRKQPQEB-RUZDIDTESA-N 1 1 494.546 4.747 20 5 JJBDMO CCc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165027849 721826890 /nfs/dbraw/zinc/82/68/90/721826890.db2.gz UEOXERUIIYOSNF-BUUDZMLXSA-N 1 1 472.593 4.746 20 5 JJBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@H]21 ZINC001165029006 721831087 /nfs/dbraw/zinc/83/10/87/721831087.db2.gz WGYUDSVJHLQVQV-WWPVKYPJSA-N 1 1 461.541 4.928 20 5 JJBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)nc1Cl ZINC001165043723 721939738 /nfs/dbraw/zinc/93/97/38/721939738.db2.gz CXZAUHRMLQQOGS-UHFFFAOYSA-N 1 1 454.264 4.716 20 5 JJBDMO CC(C)Cc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359817753 1064500380 /nfs/dbraw/zinc/50/03/80/1064500380.db2.gz JRDUEFABAKFPTN-OAQYLSRUSA-N 1 1 484.645 4.553 20 5 JJBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001435316320 1064688645 /nfs/dbraw/zinc/68/86/45/1064688645.db2.gz MWBLICFBNHUTJQ-INIZCTEOSA-N 1 1 455.864 4.775 20 5 JJBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001436018328 1065116476 /nfs/dbraw/zinc/11/64/76/1065116476.db2.gz WXWPEKKEYUCQRT-OAQYLSRUSA-N 1 1 450.564 4.749 20 5 JJBDMO C[C@@]1(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001436095033 1065176341 /nfs/dbraw/zinc/17/63/41/1065176341.db2.gz HILNVUDJCBIEBJ-MHZLTWQESA-N 1 1 458.562 4.849 20 5 JJBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001436502486 1065336330 /nfs/dbraw/zinc/33/63/30/1065336330.db2.gz USXBZBGAEBYCSL-BRIRTLKKSA-N 1 1 457.958 4.717 20 5 JJBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCCCC2)cc1OC ZINC001439095204 1065784608 /nfs/dbraw/zinc/78/46/08/1065784608.db2.gz DUCKHOAMPONPMM-UHFFFAOYSA-N 1 1 455.555 4.567 20 5 JJBDMO CCNc1ccc(C(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001439758483 1065871846 /nfs/dbraw/zinc/87/18/46/1065871846.db2.gz RLNSXXSAFDTBBI-WNCULLNHSA-N 1 1 458.562 4.815 20 5 JJBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439820568 1065882305 /nfs/dbraw/zinc/88/23/05/1065882305.db2.gz UNFBKEIOOMDZGJ-YFXJRYMSSA-N 1 1 479.964 4.800 20 5 JJBDMO CC1=C(Br)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001360851819 1065966115 /nfs/dbraw/zinc/96/61/15/1065966115.db2.gz RSNAVTZRSDYTCJ-UHFFFAOYSA-N 1 1 489.418 4.607 20 5 JJBDMO CC[C@@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001546064566 1066321593 /nfs/dbraw/zinc/32/15/93/1066321593.db2.gz ROBFBKSCXZJYRG-NLFFAJNJSA-N 1 1 454.619 4.992 20 5 JJBDMO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)cc2[N+](=O)[O-])C1 ZINC001444163294 1066422653 /nfs/dbraw/zinc/42/26/53/1066422653.db2.gz GOWZQSRCZZFCKC-LRSLUSHPSA-N 1 1 456.631 4.804 20 5 JJBDMO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)cc2[N+](=O)[O-])C1 ZINC001444163297 1066422710 /nfs/dbraw/zinc/42/27/10/1066422710.db2.gz GOWZQSRCZZFCKC-MBDNFAEBSA-N 1 1 456.631 4.804 20 5 JJBDMO C[C@@H]1C[C@H](NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC[N@H+]1C ZINC001445059833 1066535839 /nfs/dbraw/zinc/53/58/39/1066535839.db2.gz YLGBRJNWAZDLQM-PUZOFKTQSA-N 1 1 450.564 4.734 20 5 JJBDMO Cc1csc([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC001492636224 1066720098 /nfs/dbraw/zinc/72/00/98/1066720098.db2.gz AOTJSINPVBOWPB-SFHVURJKSA-N 1 1 497.669 4.979 20 5 JJBDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001458155807 1066991163 /nfs/dbraw/zinc/99/11/63/1066991163.db2.gz RXNOSHHRGUAXGN-UZUQRXQVSA-N 1 1 458.990 4.643 20 5 JJBDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001458155807 1066991174 /nfs/dbraw/zinc/99/11/74/1066991174.db2.gz RXNOSHHRGUAXGN-UZUQRXQVSA-N 1 1 458.990 4.643 20 5 JJBDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001458155804 1066991227 /nfs/dbraw/zinc/99/12/27/1066991227.db2.gz RXNOSHHRGUAXGN-HXOBKFHXSA-N 1 1 458.990 4.643 20 5 JJBDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001458155804 1066991238 /nfs/dbraw/zinc/99/12/38/1066991238.db2.gz RXNOSHHRGUAXGN-HXOBKFHXSA-N 1 1 458.990 4.643 20 5 JJBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(C[C@@H]3CC[C@H](C(F)(F)F)O3)CC2)s1 ZINC001459316438 1067292149 /nfs/dbraw/zinc/29/21/49/1067292149.db2.gz WPQZEQUNRDHIGK-MGPUTAFESA-N 1 1 455.502 4.551 20 5 JJBDMO CCOc1ccc(NC(=O)C[NH+]2CCC(c3c[nH]c4c3cccc4CC)CC2)c([N+](=O)[O-])c1 ZINC001459346031 1067299546 /nfs/dbraw/zinc/29/95/46/1067299546.db2.gz JXOSWBRIHAHJRH-UHFFFAOYSA-N 1 1 450.539 4.855 20 5 JJBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC001459587223 1067357974 /nfs/dbraw/zinc/35/79/74/1067357974.db2.gz HAQPYPZLPJVUHE-QGZVFWFLSA-N 1 1 450.358 4.773 20 5 JJBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC001459587223 1067357987 /nfs/dbraw/zinc/35/79/87/1067357987.db2.gz HAQPYPZLPJVUHE-QGZVFWFLSA-N 1 1 450.358 4.773 20 5 JJBDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001459592576 1067359033 /nfs/dbraw/zinc/35/90/33/1067359033.db2.gz ZNHBMDAPJSJFQN-LBPRGKRZSA-N 1 1 456.292 4.915 20 5 JJBDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001459592576 1067359043 /nfs/dbraw/zinc/35/90/43/1067359043.db2.gz ZNHBMDAPJSJFQN-LBPRGKRZSA-N 1 1 456.292 4.915 20 5 JJBDMO C[C@H](NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1Cl ZINC001459643286 1067370715 /nfs/dbraw/zinc/37/07/15/1067370715.db2.gz JEHKSJHAJMFCFM-AWEZNQCLSA-N 1 1 452.338 4.622 20 5 JJBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)CC1 ZINC001459846001 1067451468 /nfs/dbraw/zinc/45/14/68/1067451468.db2.gz XAECUAYEBSBBAN-UHFFFAOYSA-N 1 1 454.365 4.580 20 5 JJBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)CC1 ZINC001459846001 1067451473 /nfs/dbraw/zinc/45/14/73/1067451473.db2.gz XAECUAYEBSBBAN-UHFFFAOYSA-N 1 1 454.365 4.580 20 5 JJBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001459870664 1067467316 /nfs/dbraw/zinc/46/73/16/1067467316.db2.gz PDYWNQWVBKOIPU-PKOBYXMFSA-N 1 1 451.445 4.829 20 5 JJBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001459870663 1067467337 /nfs/dbraw/zinc/46/73/37/1067467337.db2.gz PDYWNQWVBKOIPU-MJGOQNOKSA-N 1 1 451.445 4.829 20 5 JJBDMO C[C@H](C[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Oc1ccc(Cl)c(Cl)c1 ZINC001459950814 1067504416 /nfs/dbraw/zinc/50/44/16/1067504416.db2.gz KLXQVAWMTOOTNC-CYBMUJFWSA-N 1 1 454.310 4.599 20 5 JJBDMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001460319816 1067607215 /nfs/dbraw/zinc/60/72/15/1067607215.db2.gz YWYOPXKRVOYGOL-MISYRCLQSA-N 1 1 453.967 4.675 20 5 JJBDMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001460319816 1067607217 /nfs/dbraw/zinc/60/72/17/1067607217.db2.gz YWYOPXKRVOYGOL-MISYRCLQSA-N 1 1 453.967 4.675 20 5 JJBDMO C[C@@H](C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001460347893 1067613710 /nfs/dbraw/zinc/61/37/10/1067613710.db2.gz MCWHKPPUHQGZEQ-QFQXNSOFSA-N 1 1 458.562 4.787 20 5 JJBDMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001460612680 1067672336 /nfs/dbraw/zinc/67/23/36/1067672336.db2.gz WOOGMECXNIHBPK-OCCSQVGLSA-N 1 1 452.736 4.827 20 5 JJBDMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001460612680 1067672345 /nfs/dbraw/zinc/67/23/45/1067672345.db2.gz WOOGMECXNIHBPK-OCCSQVGLSA-N 1 1 452.736 4.827 20 5 JJBDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001460669335 1067694498 /nfs/dbraw/zinc/69/44/98/1067694498.db2.gz WVZYOXKQLJYGEN-MAUKXSAKSA-N 1 1 454.365 4.579 20 5 JJBDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001460669335 1067694502 /nfs/dbraw/zinc/69/45/02/1067694502.db2.gz WVZYOXKQLJYGEN-MAUKXSAKSA-N 1 1 454.365 4.579 20 5 JJBDMO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C[C@@H](C)CC2 ZINC001460721555 1067709505 /nfs/dbraw/zinc/70/95/05/1067709505.db2.gz BYTGDEQYPCMDMW-SOUVJXGZSA-N 1 1 459.568 4.636 20 5 JJBDMO COc1cc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC001460739920 1067713004 /nfs/dbraw/zinc/71/30/04/1067713004.db2.gz BWPBTVQKLZOFNZ-LLVKDONJSA-N 1 1 450.360 4.997 20 5 JJBDMO COc1cc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001461016349 1067762627 /nfs/dbraw/zinc/76/26/27/1067762627.db2.gz RBMWJXAHRAVHBW-UHFFFAOYSA-N 1 1 454.323 4.733 20 5 JJBDMO CCOc1cc(CNc2[nH+]cccc2C)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001461068315 1067775352 /nfs/dbraw/zinc/77/53/52/1067775352.db2.gz JFHWYUXTUFTZDH-UHFFFAOYSA-N 1 1 451.479 4.755 20 5 JJBDMO C[N@@H+]1CC[C@H](CNCc2c(Br)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001461406609 1067848216 /nfs/dbraw/zinc/84/82/16/1067848216.db2.gz MVKMFQLQZLXRLG-YJYMSZOUSA-N 1 1 456.743 4.932 20 5 JJBDMO C[N@H+]1CC[C@H](CNCc2c(Br)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001461406609 1067848220 /nfs/dbraw/zinc/84/82/20/1067848220.db2.gz MVKMFQLQZLXRLG-YJYMSZOUSA-N 1 1 456.743 4.932 20 5 JJBDMO COc1ccc(-c2ccc(C[NH2+]Cc3cc(NC(=O)OC(C)(C)C)ccn3)o2)c([N+](=O)[O-])c1 ZINC001461761150 1067932322 /nfs/dbraw/zinc/93/23/22/1067932322.db2.gz OFDZIWHXCRBEME-UHFFFAOYSA-N 1 1 454.483 4.895 20 5 JJBDMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001463826482 1068538409 /nfs/dbraw/zinc/53/84/09/1068538409.db2.gz SRGMHTBUXIRESL-FQEVSTJZSA-N 1 1 456.955 4.939 20 5 JJBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC001464078076 1068607706 /nfs/dbraw/zinc/60/77/06/1068607706.db2.gz CTIVGZYRWFZJML-UHFFFAOYSA-N 1 1 458.562 4.863 20 5 JJBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 ZINC001464149633 1068634540 /nfs/dbraw/zinc/63/45/40/1068634540.db2.gz XFXSEPZVATZCKQ-OAHLLOKOSA-N 1 1 456.593 4.817 20 5 JJBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn2)CC3)cs1 ZINC001164693559 719815736 /nfs/dbraw/zinc/81/57/36/719815736.db2.gz WIMYDROHRLPOND-UHFFFAOYSA-N 1 1 468.558 4.591 20 5 JJBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc([N+](=O)[O-])cc4c(Cl)ncnc42)CC3)cs1 ZINC001164704033 719817149 /nfs/dbraw/zinc/81/71/49/719817149.db2.gz WZKUSBGCLMHPGH-UHFFFAOYSA-N 1 1 458.975 4.591 20 5 JJBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Oc3ccnc(Cl)c3)c(F)cc1[N+](=O)[O-])C2 ZINC001164814408 720116141 /nfs/dbraw/zinc/11/61/41/720116141.db2.gz SIFRKXUHZYBLMU-OSPHWJPCSA-N 1 1 490.963 4.759 20 5 JJBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Oc3ccnc(Cl)c3)c(F)cc1[N+](=O)[O-])C2 ZINC001164814404 720116580 /nfs/dbraw/zinc/11/65/80/720116580.db2.gz SIFRKXUHZYBLMU-BXKMTCNYSA-N 1 1 490.963 4.759 20 5 JJBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)CC2 ZINC001164715465 720125700 /nfs/dbraw/zinc/12/57/00/720125700.db2.gz FZEJXWSXJZWSBV-IBGZPJMESA-N 1 1 481.984 4.699 20 5 JJBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CC2 ZINC001164712912 720156434 /nfs/dbraw/zinc/15/64/34/720156434.db2.gz IFPLGRXRCDXPBT-HSZRJFAPSA-N 1 1 491.567 4.698 20 5 JJBDMO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723148 720483334 /nfs/dbraw/zinc/48/33/34/720483334.db2.gz BXGJCLQPPAHDFZ-JWQCQUIFSA-N 1 1 481.556 4.970 20 5 JJBDMO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723152 720483753 /nfs/dbraw/zinc/48/37/53/720483753.db2.gz BXGJCLQPPAHDFZ-RPBOFIJWSA-N 1 1 481.556 4.970 20 5 JJBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])CC2 ZINC001164790005 721457933 /nfs/dbraw/zinc/45/79/33/721457933.db2.gz YXWGKPNXJVFHLZ-IBGZPJMESA-N 1 1 489.016 4.530 20 5 JJBDMO CCc1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164795757 721501300 /nfs/dbraw/zinc/50/13/00/721501300.db2.gz LTDYVYDRMHTDLT-UHFFFAOYSA-N 1 1 472.593 4.890 20 5 JJBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)C2 ZINC001164911125 721764111 /nfs/dbraw/zinc/76/41/11/721764111.db2.gz MUFBLYXOUDFEIW-UHFFFAOYSA-N 1 1 490.951 4.888 20 5 JJBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)C2 ZINC001164911125 721764118 /nfs/dbraw/zinc/76/41/18/721764118.db2.gz MUFBLYXOUDFEIW-UHFFFAOYSA-N 1 1 490.951 4.888 20 5 JJBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001165021644 721809587 /nfs/dbraw/zinc/80/95/87/721809587.db2.gz FNHBKHSQTMXTRH-LKUPVBHCSA-N 1 1 451.958 4.928 20 5 JJBDMO