smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc(CSc2nc(-c3ccccc3F)n[nH]2)c2c(c1)COCO2 ZINC000003435735 204006423 /nfs/dbraw/zinc/00/64/23/204006423.db2.gz HDLBWWIHUGSRHB-UHFFFAOYSA-N 0 1 388.380 3.678 50 5 GHBAMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c1 ZINC000004033858 204024160 /nfs/dbraw/zinc/02/41/60/204024160.db2.gz TYLQDKKEHZRFSJ-UHFFFAOYSA-N 0 1 394.412 3.710 50 5 GHBAMN CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000006000416 204161579 /nfs/dbraw/zinc/16/15/79/204161579.db2.gz WCLFLCRCSUOXIP-NSHDSACASA-N 0 1 386.433 3.989 50 5 GHBAMN CC[C@H]1CCCCN1CC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1 ZINC000008609594 221046587 /nfs/dbraw/zinc/04/65/87/221046587.db2.gz CJUJYMSRCLDGPE-HNNXBMFYSA-N 0 1 379.460 3.853 50 5 GHBAMN O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000012915604 570293157 /nfs/dbraw/zinc/29/31/57/570293157.db2.gz GUVOUZDDLZGOAH-UHFFFAOYSA-N 0 1 397.431 3.707 50 5 GHBAMN O=[N+]([O-])c1cccc(CN2CCC(O)(c3ccc(Br)cc3)CC2)c1 ZINC000023283530 571049456 /nfs/dbraw/zinc/04/94/56/571049456.db2.gz QITPMXLLRCYSMI-UHFFFAOYSA-N 0 1 391.265 3.841 50 5 GHBAMN O=C(N[C@H]1CN2CCC1CC2)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000003413807 862394218 /nfs/dbraw/zinc/39/42/18/862394218.db2.gz ZGXZQLNSKLKRSN-KRWDZBQOSA-N 0 1 383.473 3.570 50 5 GHBAMN COc1ccccc1[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000013000717 899062382 /nfs/dbraw/zinc/06/23/82/899062382.db2.gz GIOGRCYWZTWUCL-SFHVURJKSA-N 0 1 384.436 3.562 50 5 GHBAMN CCc1ccc(NC(=O)CSc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000005556830 204140069 /nfs/dbraw/zinc/14/00/69/204140069.db2.gz OVTAQUPJXSPASD-UHFFFAOYSA-N 0 1 383.433 3.673 50 5 GHBAMN C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000007976485 204256190 /nfs/dbraw/zinc/25/61/90/204256190.db2.gz JKRSNAVZEGXGAL-SECBINFHSA-N 0 1 375.435 3.561 50 5 GHBAMN CC(C)(C)C(=O)[C@@H]1[C@H](c2ccccc2)C([N+](=O)[O-])[C@H]2c3ccccc3C=NN21 ZINC000016039160 570313522 /nfs/dbraw/zinc/31/35/22/570313522.db2.gz UWYRDNCOMXXPNJ-WTGUMLROSA-N 0 1 377.444 3.804 50 5 GHBAMN Cc1ccccc1-c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000009446071 857202458 /nfs/dbraw/zinc/20/24/58/857202458.db2.gz VKTXMARJBFCUFI-UHFFFAOYSA-N 0 1 385.361 3.582 50 5 GHBAMN CCOc1ccc2nc(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000013284333 859861359 /nfs/dbraw/zinc/86/13/59/859861359.db2.gz TYSFWWNSSGQMAU-UHFFFAOYSA-N 0 1 390.396 3.740 50 5 GHBAMN CCOc1ccc2nc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000006000420 204161446 /nfs/dbraw/zinc/16/14/46/204161446.db2.gz WCLFLCRCSUOXIP-LLVKDONJSA-N 0 1 386.433 3.989 50 5 GHBAMN O=C(c1ccccc1)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000005065661 570409402 /nfs/dbraw/zinc/40/94/02/570409402.db2.gz DRZNABFABALYSV-UHFFFAOYSA-N 0 1 382.397 3.627 50 5 GHBAMN CCCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OCCC ZINC000006623302 570506747 /nfs/dbraw/zinc/50/67/47/570506747.db2.gz IYIRSYHZPNLASJ-UHFFFAOYSA-N 0 1 394.449 3.973 50 5 GHBAMN CN(C)CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000004585273 570916226 /nfs/dbraw/zinc/91/62/26/570916226.db2.gz FSJDFFYBQYULRM-ZHACJKMWSA-N 0 1 396.472 3.813 50 5 GHBAMN COc1cccc(N(C(C)=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000037587441 205029903 /nfs/dbraw/zinc/02/99/03/205029903.db2.gz CBRTXVFCAYFHSR-UHFFFAOYSA-N 0 1 383.448 3.621 50 5 GHBAMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1ccco1)Cc1ccccc1 ZINC000040080443 205050002 /nfs/dbraw/zinc/05/00/02/205050002.db2.gz CZYZZBQNJRNYGI-UHFFFAOYSA-N 0 1 376.372 3.907 50 5 GHBAMN CN1CCN(c2ccc(NC(=O)c3cc4ccccc4c4cccnc34)nc2)CC1 ZINC000053745922 570340848 /nfs/dbraw/zinc/34/08/48/570340848.db2.gz XAZRXIMDAAJUPT-UHFFFAOYSA-N 0 1 397.482 3.787 50 5 GHBAMN COC(=O)[C@H](Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)C ZINC000004052735 204025190 /nfs/dbraw/zinc/02/51/90/204025190.db2.gz LOBHPJYVIQACAR-NSHDSACASA-N 0 1 379.291 3.521 50 5 GHBAMN O=C(CSc1n[nH]c(CC2CCCC2)n1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000008752515 204288537 /nfs/dbraw/zinc/28/85/37/204288537.db2.gz LNFZBCYLFSELBX-UHFFFAOYSA-N 0 1 395.872 3.830 50 5 GHBAMN O=C(CSc1nc(CC2CCCC2)n[nH]1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000008752515 204288539 /nfs/dbraw/zinc/28/85/39/204288539.db2.gz LNFZBCYLFSELBX-UHFFFAOYSA-N 0 1 395.872 3.830 50 5 GHBAMN O=C(N[C@@H]1CN2CCC1CC2)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000003413811 570606775 /nfs/dbraw/zinc/60/67/75/570606775.db2.gz ZGXZQLNSKLKRSN-QGZVFWFLSA-N 0 1 383.473 3.570 50 5 GHBAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000023139321 570916605 /nfs/dbraw/zinc/91/66/05/570916605.db2.gz PNSBFRGJIURWKU-UHFFFAOYSA-N 0 1 388.855 3.642 50 5 GHBAMN COc1ccc2nc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000002624663 861435086 /nfs/dbraw/zinc/43/50/86/861435086.db2.gz CLPKZGSXPOZSFF-UHFFFAOYSA-N 0 1 392.824 3.864 50 5 GHBAMN CC[C@@H]1CCCCN1CC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1 ZINC000008594876 221045568 /nfs/dbraw/zinc/04/55/68/221045568.db2.gz CJUJYMSRCLDGPE-OAHLLOKOSA-N 0 1 379.460 3.853 50 5 GHBAMN Cc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000009426755 857700796 /nfs/dbraw/zinc/70/07/96/857700796.db2.gz DEDBXXSAEHCWHS-UHFFFAOYSA-N 0 1 383.433 3.728 50 5 GHBAMN CSc1nc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000004347445 204040510 /nfs/dbraw/zinc/04/05/10/204040510.db2.gz MDTVKZXNJNMZSM-UHFFFAOYSA-N 0 1 381.460 3.727 50 5 GHBAMN COc1cc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)c(C)cc1[N+](=O)[O-] ZINC000006187972 204169979 /nfs/dbraw/zinc/16/99/79/204169979.db2.gz CEDNCQCXHPFCEH-UHFFFAOYSA-N 0 1 386.433 3.827 50 5 GHBAMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000095982864 860733412 /nfs/dbraw/zinc/73/34/12/860733412.db2.gz KYMWLUQWSJWVJH-UHFFFAOYSA-N 0 1 389.477 3.676 50 5 GHBAMN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000005023309 204104007 /nfs/dbraw/zinc/10/40/07/204104007.db2.gz WNPKIYUFPZVURR-UHFFFAOYSA-N 0 1 392.824 3.864 50 5 GHBAMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(CCC2CCCC2)n1 ZINC000008752614 204288694 /nfs/dbraw/zinc/28/86/94/204288694.db2.gz DVXUCHBNNVHVOL-UHFFFAOYSA-N 0 1 389.481 3.875 50 5 GHBAMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(CCC2CCCC2)n[nH]1 ZINC000008752614 204288698 /nfs/dbraw/zinc/28/86/98/204288698.db2.gz DVXUCHBNNVHVOL-UHFFFAOYSA-N 0 1 389.481 3.875 50 5 GHBAMN CC(=O)N1N=C(c2cc(-c3ccc(C)cc3)n[nH]2)O[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000021151692 860728211 /nfs/dbraw/zinc/72/82/11/860728211.db2.gz KKDBDBNHIHKKIH-HXUWFJFHSA-N 0 1 391.387 3.532 50 5 GHBAMN O=C1NC(=O)/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)N1 ZINC000002988035 898148021 /nfs/dbraw/zinc/14/80/21/898148021.db2.gz AUOQHMSUGZAJLS-GHXNOFRVSA-N 0 1 393.277 3.586 50 5 GHBAMN C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000008775513 204289716 /nfs/dbraw/zinc/28/97/16/204289716.db2.gz PPNDIITVSONKQC-JTQLQIEISA-N 0 1 387.396 3.638 50 5 GHBAMN CC(C)Nc1cc(C(=O)c2cc(F)ccc2O)cn2c(=O)c3ccccc3nc12 ZINC000009516971 204314432 /nfs/dbraw/zinc/31/44/32/204314432.db2.gz ZDQIYXHWDNSHGG-UHFFFAOYSA-N 0 1 391.402 3.744 50 5 GHBAMN O=[N+]([O-])c1ccccc1CN1CCC(O)(c2ccc(Br)cc2)CC1 ZINC000096876703 205575844 /nfs/dbraw/zinc/57/58/44/205575844.db2.gz ZLOXHWGWBHOBHV-UHFFFAOYSA-N 0 1 391.265 3.841 50 5 GHBAMN CC(C)(C)[N-][N+](=O)c1c(Br)cc(Br)cc1[N+](=O)[O-] ZINC000255188821 526335919 /nfs/dbraw/zinc/33/59/19/526335919.db2.gz LVHQICMWLMVZQH-UHFFFAOYSA-N 0 1 382.032 3.833 50 5 GHBAMN C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000014085325 570287357 /nfs/dbraw/zinc/28/73/57/570287357.db2.gz VUSMRMYTXMOBAP-GFCCVEGCSA-N 0 1 389.481 3.955 50 5 GHBAMN C[C@@H](Sc1n[nH]c(CCC2CCCC2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000014085325 570287359 /nfs/dbraw/zinc/28/73/59/570287359.db2.gz VUSMRMYTXMOBAP-GFCCVEGCSA-N 0 1 389.481 3.955 50 5 GHBAMN Cc1c([N+](=O)[O-])cc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000002084703 570933286 /nfs/dbraw/zinc/93/32/86/570933286.db2.gz NQWIWLUSQPLFFV-UHFFFAOYSA-N 0 1 391.208 3.759 50 5 GHBAMN Cc1c(NC(=O)CSc2nc(-c3ccccc3F)n[nH]2)cccc1[N+](=O)[O-] ZINC000008548506 856257227 /nfs/dbraw/zinc/25/72/27/856257227.db2.gz KRJBKKXFIMTBAP-UHFFFAOYSA-N 0 1 387.396 3.558 50 5 GHBAMN O=C1C[C@H](Sc2ccc(Cl)cc2)C(O)=C1Nc1ccccc1[N+](=O)[O-] ZINC000006995837 204228556 /nfs/dbraw/zinc/22/85/56/204228556.db2.gz PWOIUWKQGPSXLO-HOTGVXAUSA-N 0 1 376.821 3.732 50 5 GHBAMN C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000007976482 204256340 /nfs/dbraw/zinc/25/63/40/204256340.db2.gz JKRSNAVZEGXGAL-VIFPVBQESA-N 0 1 375.435 3.561 50 5 GHBAMN COc1ccc(CN2CCCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000011172726 204342636 /nfs/dbraw/zinc/34/26/36/204342636.db2.gz RDBUUAFNKGDXIQ-UHFFFAOYSA-N 0 1 375.856 3.969 50 5 GHBAMN O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000047996058 570216682 /nfs/dbraw/zinc/21/66/82/570216682.db2.gz ODKKPJCARWDCLF-AWEZNQCLSA-N 0 1 377.404 3.923 50 5 GHBAMN Cc1ccccc1NC(=O)C[C@@H](NC(=O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000006997427 570733129 /nfs/dbraw/zinc/73/31/29/570733129.db2.gz NFSDUJHQBKROQN-OAHLLOKOSA-N 0 1 395.337 3.652 50 5 GHBAMN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)c1Cl ZINC000001128680 570755506 /nfs/dbraw/zinc/75/55/06/570755506.db2.gz AIMQJJQNZBDKAV-UHFFFAOYSA-N 0 1 377.205 3.711 50 5 GHBAMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1ccco1)Cc1cccs1 ZINC000024462822 570871805 /nfs/dbraw/zinc/87/18/05/570871805.db2.gz XYANCFKAGUYNIQ-UHFFFAOYSA-N 0 1 382.401 3.968 50 5 GHBAMN O=[N+]([O-])c1ccc2nc3c4ccccc4n(CCCN4CCOCC4)c3cc2c1 ZINC000019376175 570982537 /nfs/dbraw/zinc/98/25/37/570982537.db2.gz BMSBGLMVRRWEDW-UHFFFAOYSA-N 0 1 390.443 3.973 50 5 GHBAMN CCOc1ccc2nc(SCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000004830277 204079342 /nfs/dbraw/zinc/07/93/42/204079342.db2.gz ZJWMOFVTHMGYCU-UHFFFAOYSA-N 0 1 390.396 3.740 50 5 GHBAMN CC(C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000007054951 204231649 /nfs/dbraw/zinc/23/16/49/204231649.db2.gz VVLSYXMOSACMKI-UHFFFAOYSA-N 0 1 398.824 3.614 50 5 GHBAMN O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005018105 570397417 /nfs/dbraw/zinc/39/74/17/570397417.db2.gz SASZOAXKKMTAQP-UHFFFAOYSA-N 0 1 395.853 3.826 50 5 GHBAMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccccc4n3)c2)cc1 ZINC000001030894 570747859 /nfs/dbraw/zinc/74/78/59/570747859.db2.gz ZOMOERCRGNBHIA-UHFFFAOYSA-N 0 1 394.412 3.710 50 5 GHBAMN COc1ccc2nc([C@@H](C)Nc3ncc(Br)cc3[N+](=O)[O-])[nH]c2c1 ZINC000170619665 570876701 /nfs/dbraw/zinc/87/67/01/570876701.db2.gz BGZPLWRDFPHZLU-MRVPVSSYSA-N 0 1 392.213 3.810 50 5 GHBAMN Cc1cc(NC(=O)CN2C[C@H](C)C[C@H](C)C2)nc2c3ccccc3oc(=O)c12 ZINC000004326531 570571660 /nfs/dbraw/zinc/57/16/60/570571660.db2.gz XZKDGTWGTSBDNN-OKILXGFUSA-N 0 1 379.460 3.566 50 5 GHBAMN CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000036644252 520723976 /nfs/dbraw/zinc/72/39/76/520723976.db2.gz JOWJECVNODXDFK-UHFFFAOYSA-N 0 1 392.433 3.661 50 5 GHBAMN CCN1CCc2c(sc3c2C(=O)N[C@H](C=Cc2cccc([N+](=O)[O-])c2)N3)C1 ZINC000004556329 570882622 /nfs/dbraw/zinc/88/26/22/570882622.db2.gz FYGXEEBELLWOCP-WLMCBFPDSA-N 0 1 384.461 3.804 50 5 GHBAMN Cc1ccc([N+](=O)[O-])c(NC(=O)CSc2n[nH]c(C3CCCC3)n2)c1C ZINC000012104067 570959263 /nfs/dbraw/zinc/95/92/63/570959263.db2.gz SUCBAXTZXUWHEI-UHFFFAOYSA-N 0 1 375.454 3.718 50 5 GHBAMN Cc1ccc([N+](=O)[O-])c(NC(=O)CSc2nc(C3CCCC3)n[nH]2)c1C ZINC000012104067 570959259 /nfs/dbraw/zinc/95/92/59/570959259.db2.gz SUCBAXTZXUWHEI-UHFFFAOYSA-N 0 1 375.454 3.718 50 5 GHBAMN CC(=O)N1N=C(c2cc(-c3ccc(C)cc3)n[nH]2)O[C@H]1c1ccccc1[N+](=O)[O-] ZINC000021151695 207227023 /nfs/dbraw/zinc/22/70/23/207227023.db2.gz KKDBDBNHIHKKIH-FQEVSTJZSA-N 0 1 391.387 3.532 50 5 GHBAMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(-c3cn4ccccc4n3)c2)c1 ZINC000004354030 570691616 /nfs/dbraw/zinc/69/16/16/570691616.db2.gz CCDSBDXWIVIDNW-UHFFFAOYSA-N 0 1 394.412 3.710 50 5 GHBAMN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000105664750 570931800 /nfs/dbraw/zinc/93/18/00/570931800.db2.gz ICBSIEOIQLMMSU-SPYBWZPUSA-N 0 1 383.835 3.735 50 5 GHBAMN COC(=O)[C@@H](Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)C ZINC000004052734 862740635 /nfs/dbraw/zinc/74/06/35/862740635.db2.gz LOBHPJYVIQACAR-LLVKDONJSA-N 0 1 379.291 3.521 50 5 GHBAMN COc1cc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)cc([N+](=O)[O-])c1O ZINC000035587894 570402125 /nfs/dbraw/zinc/40/21/25/570402125.db2.gz LFJKGYUSKFCMER-IZZDOVSWSA-N 0 1 399.790 3.617 50 5 GHBAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](C=Cc2cccc([N+](=O)[O-])c2)N3)C1 ZINC000004556330 570883033 /nfs/dbraw/zinc/88/30/33/570883033.db2.gz FYGXEEBELLWOCP-MWWKQMNYSA-N 0 1 384.461 3.804 50 5 GHBAMN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(Cl)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000104233867 206230269 /nfs/dbraw/zinc/23/02/69/206230269.db2.gz HAKHKUNDPNWMOZ-UHFFFAOYSA-N 0 1 383.660 3.716 50 5 GHBAMN CN(C)C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 ZINC000024749372 207294544 /nfs/dbraw/zinc/29/45/44/207294544.db2.gz BVAPNESGTNHGQH-OAQYLSRUSA-N 0 1 399.494 3.574 50 5 GHBAMN CCOc1ccc2nc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000002656624 208503881 /nfs/dbraw/zinc/50/38/81/208503881.db2.gz JHIVBFLHBAPDDE-UHFFFAOYSA-N 0 1 386.433 3.909 50 5 GHBAMN O=[N+]([O-])c1cc(CSc2nc(-c3cccs3)n[nH]2)c2c(c1)COCO2 ZINC000006883979 570679255 /nfs/dbraw/zinc/67/92/55/570679255.db2.gz URDUVOUBTAXGAI-UHFFFAOYSA-N 0 1 376.419 3.600 50 5 GHBAMN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000089851322 208110260 /nfs/dbraw/zinc/11/02/60/208110260.db2.gz QPLYFMIECJBEDK-OAHLLOKOSA-N 0 1 380.364 3.630 50 5 GHBAMN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000089851322 208110264 /nfs/dbraw/zinc/11/02/64/208110264.db2.gz QPLYFMIECJBEDK-OAHLLOKOSA-N 0 1 380.364 3.630 50 5 GHBAMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)ccc1Cl ZINC000003885319 570817430 /nfs/dbraw/zinc/81/74/30/570817430.db2.gz ZDDVIRYZARFPSI-UHFFFAOYSA-N 0 1 399.215 3.646 50 5 GHBAMN COc1cccc([C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)N2CCCC2)c1 ZINC000012977326 899050727 /nfs/dbraw/zinc/05/07/27/899050727.db2.gz CVLZPVKSFXYNMV-IBGZPJMESA-N 0 1 384.436 3.562 50 5 GHBAMN Cn1c(-c2ccc(Cl)cc2)cnc1NCc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000819085 206323559 /nfs/dbraw/zinc/32/35/59/206323559.db2.gz DWDFFXQLAFFPME-UHFFFAOYSA-N 0 1 386.795 3.990 50 5 GHBAMN COc1ccc2nc([C@H](C)Nc3ncc(Br)cc3[N+](=O)[O-])[nH]c2c1 ZINC000170619664 570876689 /nfs/dbraw/zinc/87/66/89/570876689.db2.gz BGZPLWRDFPHZLU-QMMMGPOBSA-N 0 1 392.213 3.810 50 5 GHBAMN Cc1nc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cs1 ZINC000002483850 861197189 /nfs/dbraw/zinc/19/71/89/861197189.db2.gz GLKCOPMVOLMPAS-UHFFFAOYSA-N 0 1 375.431 3.828 50 5 GHBAMN O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ccc([N+](=O)[O-])cc1O ZINC000008014951 863001032 /nfs/dbraw/zinc/00/10/32/863001032.db2.gz NCPKFJILJNMSIF-UHFFFAOYSA-N 0 1 378.797 3.561 50 5 GHBAMN COc1cccc([C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)N2CCCC2)c1 ZINC000012977324 899050467 /nfs/dbraw/zinc/05/04/67/899050467.db2.gz CVLZPVKSFXYNMV-LJQANCHMSA-N 0 1 384.436 3.562 50 5 GHBAMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c(CCC2CCCC2)n1 ZINC000008757113 856348748 /nfs/dbraw/zinc/34/87/48/856348748.db2.gz XCLKXCOYXVGIKS-UHFFFAOYSA-N 0 1 389.481 3.875 50 5 GHBAMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(CCC2CCCC2)n[nH]1 ZINC000008757113 856348754 /nfs/dbraw/zinc/34/87/54/856348754.db2.gz XCLKXCOYXVGIKS-UHFFFAOYSA-N 0 1 389.481 3.875 50 5 GHBAMN COc1ccc2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)[nH]c2c1 ZINC000002645800 206426068 /nfs/dbraw/zinc/42/60/68/206426068.db2.gz UXMNFPGSEBJNDI-UHFFFAOYSA-N 0 1 392.824 3.864 50 5 GHBAMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CCCO)[C@H]1CCCc2ccccc21 ZINC000072308762 222222972 /nfs/dbraw/zinc/22/29/72/222222972.db2.gz RYPYNJAUDVFVOP-NRFANRHFSA-N 0 1 397.475 3.604 50 5 GHBAMN O=C1C[C@@H](Sc2ccc(Cl)cc2)C(O)=C1Nc1ccccc1[N+](=O)[O-] ZINC000006995839 570730951 /nfs/dbraw/zinc/73/09/51/570730951.db2.gz PWOIUWKQGPSXLO-HZPDHXFCSA-N 0 1 376.821 3.732 50 5 GHBAMN COc1cc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)cc([N+](=O)[O-])c1O ZINC000036290102 207519472 /nfs/dbraw/zinc/51/94/72/207519472.db2.gz FEIIWYXWRISMCA-WUXMJOGZSA-N 0 1 399.428 3.642 50 5 GHBAMN Cc1cc(NC(=O)CN2C[C@@H](C)C[C@H](C)C2)nc2c3ccccc3oc(=O)c12 ZINC000004326535 570572244 /nfs/dbraw/zinc/57/22/44/570572244.db2.gz XZKDGTWGTSBDNN-KBPBESRZSA-N 0 1 379.460 3.566 50 5 GHBAMN O=C(C1CC1)N1CCCCC[C@@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069949889 857163347 /nfs/dbraw/zinc/16/33/47/857163347.db2.gz VTYZTUFENUBBMF-OAQYLSRUSA-N 0 1 385.508 3.988 50 5 GHBAMN O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000047996056 570216720 /nfs/dbraw/zinc/21/67/20/570216720.db2.gz ODKKPJCARWDCLF-CQSZACIVSA-N 0 1 377.404 3.923 50 5 GHBAMN CCOc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000011707667 570409683 /nfs/dbraw/zinc/40/96/83/570409683.db2.gz IZXDSHLYFFKNAJ-ZIAGYGMSSA-N 0 1 387.436 3.680 50 5 GHBAMN O=C1NC(=O)/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)N1 ZINC000013546541 570654283 /nfs/dbraw/zinc/65/42/83/570654283.db2.gz LYYARUSSGPOJJK-WQRHYEAKSA-N 0 1 389.367 3.507 50 5 GHBAMN O=[N+]([O-])c1cc(Br)cnc1Sc1nc(-c2ccccc2)n[nH]1 ZINC000004366117 570708013 /nfs/dbraw/zinc/70/80/13/570708013.db2.gz BIXYSSBQIXYRNG-UHFFFAOYSA-N 0 1 378.211 3.689 50 5 GHBAMN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000040114793 856668175 /nfs/dbraw/zinc/66/81/75/856668175.db2.gz ICBSIEOIQLMMSU-CLCXKQKWSA-N 0 1 383.835 3.735 50 5 GHBAMN COc1cc(/C=C2/CCn3c2nc2cc(Cl)ccc2c3=O)cc([N+](=O)[O-])c1O ZINC000069842983 857095010 /nfs/dbraw/zinc/09/50/10/857095010.db2.gz LFJKGYUSKFCMER-WDZFZDKYSA-N 0 1 399.790 3.617 50 5 GHBAMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NCC(F)(F)F ZINC000048324620 570235933 /nfs/dbraw/zinc/23/59/33/570235933.db2.gz GSEVKOHSELLHGI-UHFFFAOYSA-N 0 1 389.355 3.678 50 5 GHBAMN O=C(Nc1nc2ccccc2[nH]1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000005263130 570532316 /nfs/dbraw/zinc/53/23/16/570532316.db2.gz LEGNSKLNMKWRDP-UHFFFAOYSA-N 0 1 379.420 3.526 50 5 GHBAMN CCN1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004556331 570882945 /nfs/dbraw/zinc/88/29/45/570882945.db2.gz JUQMNLRCYBZEJW-SBSDFTTDSA-N 0 1 384.461 3.804 50 5 GHBAMN COc1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000004485047 534085262 /nfs/dbraw/zinc/08/52/62/534085262.db2.gz HQABMRFBJGBLJB-UHFFFAOYSA-N 0 1 392.824 3.864 50 5 GHBAMN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000015010527 210142277 /nfs/dbraw/zinc/14/22/77/210142277.db2.gz RXORRPNCAVWLFE-DHDCSXOGSA-N 0 1 386.385 3.546 50 5 GHBAMN C[C@H](Sc1nc(CC2CCCC2)n[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000014093466 210100942 /nfs/dbraw/zinc/10/09/42/210100942.db2.gz MPAJFZKMEHNNKV-NSHDSACASA-N 0 1 375.454 3.565 50 5 GHBAMN C[C@H](Sc1n[nH]c(CC2CCCC2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000014093466 210100945 /nfs/dbraw/zinc/10/09/45/210100945.db2.gz MPAJFZKMEHNNKV-NSHDSACASA-N 0 1 375.454 3.565 50 5 GHBAMN CC(C)[C@H](NC[C@H](O)Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036160413 570555193 /nfs/dbraw/zinc/55/51/93/570555193.db2.gz OAHRIUNOZXDIEH-MOPGFXCFSA-N 0 1 396.447 3.535 50 5 GHBAMN O=C(Cc1ccccc1[N+](=O)[O-])NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000023043055 570892652 /nfs/dbraw/zinc/89/26/52/570892652.db2.gz AKDQOIWUTUWYTR-UHFFFAOYSA-N 0 1 387.867 3.572 50 5 GHBAMN CC(C)[C@@H](NC[C@H](O)Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036160418 570555204 /nfs/dbraw/zinc/55/52/04/570555204.db2.gz OAHRIUNOZXDIEH-RTBURBONSA-N 0 1 396.447 3.535 50 5 GHBAMN CCOc1ccc2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)[nH]c2c1 ZINC000002656623 570593190 /nfs/dbraw/zinc/59/31/90/570593190.db2.gz CMHBBAONBCJILF-UHFFFAOYSA-N 0 1 390.396 3.740 50 5 GHBAMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)c1 ZINC000005027810 570730757 /nfs/dbraw/zinc/73/07/57/570730757.db2.gz MATYCMOMWNELTK-UHFFFAOYSA-N 0 1 391.630 3.812 50 5 GHBAMN Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)[N@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000023157574 570920379 /nfs/dbraw/zinc/92/03/79/570920379.db2.gz ZEIJEQYZXPMRKI-ABAIWWIYSA-N 0 1 387.465 3.534 50 5 GHBAMN NC(=O)c1ccc(CN2CCC(c3c[nH]c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000057381116 862068361 /nfs/dbraw/zinc/06/83/61/862068361.db2.gz ZJXOORDJLQGLGU-UHFFFAOYSA-N 0 1 378.432 3.555 50 5 GHBAMN Cc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)cc1 ZINC000003073321 862170887 /nfs/dbraw/zinc/17/08/87/862170887.db2.gz TVBGFRGBRMFGRW-UHFFFAOYSA-N 0 1 385.361 3.582 50 5 GHBAMN O=C1NC(=O)/C(=C\c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)N1 ZINC000001145533 209307151 /nfs/dbraw/zinc/30/71/51/209307151.db2.gz LYYARUSSGPOJJK-WOJGMQOQSA-N 0 1 389.367 3.507 50 5 GHBAMN CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000026154911 570312488 /nfs/dbraw/zinc/31/24/88/570312488.db2.gz CDTMNFDKJVSYNP-UHFFFAOYSA-N 0 1 381.354 3.519 50 5 GHBAMN CN(C(=O)CN1CCC(c2c[nH]c3ccccc32)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000010225489 857421399 /nfs/dbraw/zinc/42/13/99/857421399.db2.gz QFQBIYITNJUAPM-UHFFFAOYSA-N 0 1 392.459 3.919 50 5 GHBAMN O=C1NC(=O)/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)N1 ZINC000016156294 210185098 /nfs/dbraw/zinc/18/50/98/210185098.db2.gz AUOQHMSUGZAJLS-KPKJPENVSA-N 0 1 393.277 3.586 50 5 GHBAMN CN(C)C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 ZINC000024749377 570391319 /nfs/dbraw/zinc/39/13/19/570391319.db2.gz BVAPNESGTNHGQH-NRFANRHFSA-N 0 1 399.494 3.574 50 5 GHBAMN CC(C)[C@@H](NC[C@@H](O)Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036160427 570555233 /nfs/dbraw/zinc/55/52/33/570555233.db2.gz OAHRIUNOZXDIEH-RBUKOAKNSA-N 0 1 396.447 3.535 50 5 GHBAMN COc1ccc(C)cc1CN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000012546176 570847573 /nfs/dbraw/zinc/84/75/73/570847573.db2.gz ZCJCBPVFJUOKPF-UHFFFAOYSA-N 0 1 392.459 3.782 50 5 GHBAMN COCC(=O)N(c1cccc(C)c1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000034678771 844080912 /nfs/dbraw/zinc/08/09/12/844080912.db2.gz NXSRAKHBWVYGGL-UHFFFAOYSA-N 0 1 397.475 3.547 50 5 GHBAMN Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000014086828 210101167 /nfs/dbraw/zinc/10/11/67/210101167.db2.gz YPBKWANADDXIMT-UHFFFAOYSA-N 0 1 395.868 3.958 50 5 GHBAMN CCN1c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c3cccc(c23)C1=O ZINC000000754538 209263589 /nfs/dbraw/zinc/26/35/89/209263589.db2.gz WATLXAJONUUEKG-UHFFFAOYSA-N 0 1 397.412 3.529 50 5 GHBAMN CCn1c(CN2CCCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000020893231 210367340 /nfs/dbraw/zinc/36/73/40/210367340.db2.gz JATQBNGJAXDKSP-UHFFFAOYSA-N 0 1 393.447 3.813 50 5 GHBAMN Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)[N@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000105732065 570932448 /nfs/dbraw/zinc/93/24/48/570932448.db2.gz ZEIJEQYZXPMRKI-IAQYHMDHSA-N 0 1 387.465 3.534 50 5 GHBAMN Cc1nc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2s1 ZINC000006328885 211626383 /nfs/dbraw/zinc/62/63/83/211626383.db2.gz DEAOZJUECVDQKU-UHFFFAOYSA-N 0 1 383.838 3.967 50 5 GHBAMN CC(C)[C@H](NC[C@@H](O)Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036160423 570555478 /nfs/dbraw/zinc/55/54/78/570555478.db2.gz OAHRIUNOZXDIEH-OALUTQOASA-N 0 1 396.447 3.535 50 5 GHBAMN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000001508092 209331516 /nfs/dbraw/zinc/33/15/16/209331516.db2.gz NKRSLIGQBHGTIZ-UHFFFAOYSA-N 0 1 384.351 3.939 50 5 GHBAMN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)[C@H]1CC1[N+](=O)[O-] ZINC000040114797 856668048 /nfs/dbraw/zinc/66/80/48/856668048.db2.gz ICBSIEOIQLMMSU-KHYOSLBOSA-N 0 1 383.835 3.735 50 5 GHBAMN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000002639457 209374706 /nfs/dbraw/zinc/37/47/06/209374706.db2.gz LDOPJCIWKXJZSJ-UHFFFAOYSA-N 0 1 392.824 3.864 50 5 GHBAMN Cc1ccccc1-n1c(=O)c2cn[nH]c2nc1SCc1cccc([N+](=O)[O-])c1 ZINC000020663351 210354852 /nfs/dbraw/zinc/35/48/52/210354852.db2.gz 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Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CCCO)[C@@H]1CCCc2ccccc21 ZINC000072308761 222223724 /nfs/dbraw/zinc/22/37/24/222223724.db2.gz RYPYNJAUDVFVOP-OAQYLSRUSA-N 0 1 397.475 3.604 50 5 GHBAMN O=C1C[C@@H](Sc2ccc(Cl)cc2)C(O)=C1Nc1ccccc1[N+](=O)[O-] ZINC000006995840 570730750 /nfs/dbraw/zinc/73/07/50/570730750.db2.gz PWOIUWKQGPSXLO-CVEARBPZSA-N 0 1 376.821 3.732 50 5 GHBAMN CC(C)(C)C(=O)[C@@H]1[C@H](c2ccccc2)C([N+](=O)[O-])[C@@H]2c3ccccc3C=NN12 ZINC000229858918 862954311 /nfs/dbraw/zinc/95/43/11/862954311.db2.gz UWYRDNCOMXXPNJ-WCIQWLHISA-N 0 1 377.444 3.804 50 5 GHBAMN O=C(Nc1nnc(CCSc2ccccc2)o1)c1ccc([N+](=O)[O-])s1 ZINC000010690428 221106581 /nfs/dbraw/zinc/10/65/81/221106581.db2.gz UEMVFJQJXHSCCS-UHFFFAOYSA-N 0 1 376.419 3.626 50 5 GHBAMN Cc1nc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cs1 ZINC000004949839 570379791 /nfs/dbraw/zinc/37/97/91/570379791.db2.gz BYKANHGNZAQZCQ-UHFFFAOYSA-N 0 1 375.431 3.828 50 5 GHBAMN Cc1[nH]c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc1Cc1ccccc1 ZINC000006649215 570516158 /nfs/dbraw/zinc/51/61/58/570516158.db2.gz YTSFUZDQOPYVGD-UHFFFAOYSA-N 0 1 382.445 3.948 50 5 GHBAMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1Cl ZINC000003264010 862292150 /nfs/dbraw/zinc/29/21/50/862292150.db2.gz OGSHWWUTIAUKLT-UHFFFAOYSA-N 0 1 391.630 3.812 50 5 GHBAMN COc1ccc(NS(=O)(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000020491972 860587231 /nfs/dbraw/zinc/58/72/31/860587231.db2.gz VDEVYJNUTOVGKR-UHFFFAOYSA-N 0 1 381.797 3.539 50 5 GHBAMN Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000032086636 862803314 /nfs/dbraw/zinc/80/33/14/862803314.db2.gz BOBIKYFUKCDKAP-UHFFFAOYSA-N 0 1 386.433 3.507 50 5 GHBAMN COc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[nH]c2c1 ZINC000004252191 862906281 /nfs/dbraw/zinc/90/62/81/862906281.db2.gz BRYNGMIRMRNHLJ-UHFFFAOYSA-N 0 1 392.824 3.864 50 5 GHBAMN Cc1ccc2nc([C@H]3CCCN(c4nc5ccccn5c4[N+](=O)[O-])C3)[nH]c2c1 ZINC000095469171 913483845 /nfs/dbraw/zinc/48/38/45/913483845.db2.gz FMGXFPZHABAFPQ-AWEZNQCLSA-N 0 1 376.420 3.811 50 5 GHBAMN CCN1CCN(c2ccc([N+](=O)[O-])c(Sc3nc4ccccc4[nH]3)c2)CC1 ZINC000004679334 220745495 /nfs/dbraw/zinc/74/54/95/220745495.db2.gz IUEQXWALPVLROR-UHFFFAOYSA-N 0 1 383.477 3.764 50 5 GHBAMN CCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000011707677 221123658 /nfs/dbraw/zinc/12/36/58/221123658.db2.gz IZXDSHLYFFKNAJ-UONOGXRCSA-N 0 1 387.436 3.680 50 5 GHBAMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000001140094 212221852 /nfs/dbraw/zinc/22/18/52/212221852.db2.gz HOCZJXRSIXLPID-UHFFFAOYSA-N 0 1 394.412 3.939 50 5 GHBAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000008518786 221043449 /nfs/dbraw/zinc/04/34/49/221043449.db2.gz JWOSSRQPHPSEJV-UHFFFAOYSA-N 0 1 389.824 3.764 50 5 GHBAMN Cc1ccc(NC(=O)CSc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c(C)c1 ZINC000009031124 221068138 /nfs/dbraw/zinc/06/81/38/221068138.db2.gz UGOVGVNQOLBFKU-UHFFFAOYSA-N 0 1 383.433 3.728 50 5 GHBAMN CCN(CC)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000013068636 221260633 /nfs/dbraw/zinc/26/06/33/221260633.db2.gz DQHKSOYUJTXFQA-GOSISDBHSA-N 0 1 390.871 3.842 50 5 GHBAMN CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2)C([N+](=O)[O-])[C@H]2c3ccccc3C=NN21 ZINC000005092768 570415507 /nfs/dbraw/zinc/41/55/07/570415507.db2.gz UWYRDNCOMXXPNJ-YRPNKDGESA-N 0 1 377.444 3.804 50 5 GHBAMN COc1ccc(CNc2ncc(-c3cccc([N+](=O)[O-])c3)n2C)c(OC)c1OC ZINC000000819092 212185992 /nfs/dbraw/zinc/18/59/92/212185992.db2.gz LUFQXYPHBACFHF-UHFFFAOYSA-N 0 1 398.419 3.633 50 5 GHBAMN CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000011707650 221123535 /nfs/dbraw/zinc/12/35/35/221123535.db2.gz IZXDSHLYFFKNAJ-KGLIPLIRSA-N 0 1 387.436 3.680 50 5 GHBAMN CCN(CC)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000013068634 221260115 /nfs/dbraw/zinc/26/01/15/221260115.db2.gz DQHKSOYUJTXFQA-SFHVURJKSA-N 0 1 390.871 3.842 50 5 GHBAMN O=C(Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1)c1cccs1 ZINC000013843349 221292060 /nfs/dbraw/zinc/29/20/60/221292060.db2.gz SZPUSUNROPUHJU-UHFFFAOYSA-N 0 1 383.385 3.867 50 5 GHBAMN O=C(CSc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1O ZINC000004869291 570350963 /nfs/dbraw/zinc/35/09/63/570350963.db2.gz MVFNZLZIJMRZCF-UHFFFAOYSA-N 0 1 383.223 3.794 50 5 GHBAMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc2ccc(C)cc2[nH]1 ZINC000006506680 570460136 /nfs/dbraw/zinc/46/01/36/570460136.db2.gz QTUPMPXVRUJVRD-NSHDSACASA-N 0 1 386.433 3.907 50 5 GHBAMN O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccc([N+](=O)[O-])s1 ZINC000005169710 570491174 /nfs/dbraw/zinc/49/11/74/570491174.db2.gz YAZHREMPRIXZLT-UHFFFAOYSA-N 0 1 395.194 3.721 50 5 GHBAMN O=C(CCOc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000095444478 913460829 /nfs/dbraw/zinc/46/08/29/913460829.db2.gz QJRMVZBEMJVYGC-UHFFFAOYSA-N 0 1 376.319 3.816 50 5 GHBAMN C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000008775516 221058919 /nfs/dbraw/zinc/05/89/19/221058919.db2.gz PPNDIITVSONKQC-SNVBAGLBSA-N 0 1 387.396 3.638 50 5 GHBAMN O=C(CSc1n[nH]c(CCC2CCCC2)n1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000014077208 221298541 /nfs/dbraw/zinc/29/85/41/221298541.db2.gz OKXAACWWZDQCJK-UHFFFAOYSA-N 0 1 393.444 3.706 50 5 GHBAMN O=C(CSc1nc(CCC2CCCC2)n[nH]1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000014077208 221298545 /nfs/dbraw/zinc/29/85/45/221298545.db2.gz OKXAACWWZDQCJK-UHFFFAOYSA-N 0 1 393.444 3.706 50 5 GHBAMN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000089851321 570917830 /nfs/dbraw/zinc/91/78/30/570917830.db2.gz QPLYFMIECJBEDK-HNNXBMFYSA-N 0 1 380.364 3.630 50 5 GHBAMN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000089851321 570917834 /nfs/dbraw/zinc/91/78/34/570917834.db2.gz QPLYFMIECJBEDK-HNNXBMFYSA-N 0 1 380.364 3.630 50 5 GHBAMN