smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(OC)c2O)C1=O ZINC000409237932 556635800 /nfs/dbraw/zinc/63/58/00/556635800.db2.gz JMDCADFCXCEWOT-CXUHLZMHSA-N 0 1 440.412 2.403 40 5 IEBBMN CN1CCN(c2cc3[nH]c(=O)[nH]c3cc2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000408530871 557415239 /nfs/dbraw/zinc/41/52/39/557415239.db2.gz MYNSQOBNQVCCJH-UHFFFAOYSA-N 0 1 441.404 2.089 40 5 IEBBMN COC(=O)[C@@H](C(=O)C(=O)Nc1ccc(C)cc1C)c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O ZINC000016957893 563021152 /nfs/dbraw/zinc/02/11/52/563021152.db2.gz BMHSUUWBFKIQTK-MRXNPFEDSA-N 0 1 438.396 2.325 40 5 IEBBMN COC(=O)C(C(=O)C(=O)Nc1ccc(C)cc1C)c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O ZINC000016957893 563021153 /nfs/dbraw/zinc/02/11/53/563021153.db2.gz BMHSUUWBFKIQTK-MRXNPFEDSA-N 0 1 438.396 2.325 40 5 IEBBMN COC(=O)[C@H]1[C@H](c2cc([N+](=O)[O-])ccc2O)c2sc(=O)[nH]c2S[C@@H]1C(=O)OC ZINC000016712668 569159959 /nfs/dbraw/zinc/15/99/59/569159959.db2.gz KEVXQYVXTVVSMH-NHCYSSNCSA-N 0 1 426.428 2.031 40 5 IEBBMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000057315869 569430837 /nfs/dbraw/zinc/43/08/37/569430837.db2.gz XITXJWDGNMXGMX-UHFFFAOYSA-N 0 1 428.445 2.151 40 5 IEBBMN Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O ZINC000035843173 525931418 /nfs/dbraw/zinc/93/14/18/525931418.db2.gz SFXPWAIGSAOZJV-GKAYAJSDSA-N 0 1 432.436 2.334 40 5 IEBBMN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O ZINC000409249333 556635759 /nfs/dbraw/zinc/63/57/59/556635759.db2.gz TWHWSPCYCSHOMT-OVCLIPMQSA-N 0 1 440.412 2.403 40 5 IEBBMN CCOC(=O)c1cn[nH]c1-n1ccc2nc3ccn(Cc4cccnc4)c(=O)c3cc2c1=O ZINC000040399118 556641438 /nfs/dbraw/zinc/64/14/38/556641438.db2.gz KNIMMQYNHDJVPF-UHFFFAOYSA-N 0 1 442.435 2.044 40 5 IEBBMN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(C)C)N[C@]4(c5ccccc5NC4=O)[C@H]3C2=O)cc1[N+](=O)[O-] ZINC000026947617 568927757 /nfs/dbraw/zinc/92/77/57/568927757.db2.gz PZOZGFSRURKQCY-RTXPOLOASA-N 0 1 434.452 2.484 40 5 IEBBMN Cc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@]4(c5ccccc5NC4=O)[C@H]3C2=O)cc1[N+](=O)[O-] ZINC000009316358 569295354 /nfs/dbraw/zinc/29/53/54/569295354.db2.gz PZOZGFSRURKQCY-FZONSQQESA-N 0 1 434.452 2.484 40 5 IEBBMN Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000009359740 569295879 /nfs/dbraw/zinc/29/58/79/569295879.db2.gz UFMJJDKSOFHMOC-GBPOLFSSSA-N 0 1 432.436 2.334 40 5 IEBBMN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 ZINC000022517511 527388367 /nfs/dbraw/zinc/38/83/67/527388367.db2.gz MOQBZOOQTSUOST-UHFFFAOYSA-N 0 1 449.470 2.128 40 5 IEBBMN COc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1O ZINC000409023825 556628381 /nfs/dbraw/zinc/62/83/81/556628381.db2.gz REOHQHRFXBVWLL-OVCLIPMQSA-N 0 1 426.385 2.149 40 5 IEBBMN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc([N+](=O)[O-])c1O ZINC000409214701 557009157 /nfs/dbraw/zinc/00/91/57/557009157.db2.gz XQRYHPYQKCNGRS-VGOFMYFVSA-N 0 1 444.375 2.370 40 5 IEBBMN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O ZINC000035889624 522975145 /nfs/dbraw/zinc/97/51/45/522975145.db2.gz LBRNRVVTGCJPNW-ZQDYSYBYSA-N 0 1 448.435 2.035 40 5 IEBBMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCCN2[C@@]32C(=O)Nc3ccccc32)cc1[N+](=O)[O-] ZINC000104070698 557449856 /nfs/dbraw/zinc/44/98/56/557449856.db2.gz ALIWSXFLFIJKHK-YQYRJILISA-N 0 1 432.436 2.334 40 5 IEBBMN COc1ccc(-c2noc(CNS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2)cc1OC ZINC000223596579 568875731 /nfs/dbraw/zinc/87/57/31/568875731.db2.gz LWASMROSJQBABQ-UHFFFAOYSA-N 0 1 434.430 2.449 40 5 IEBBMN Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)N[C@]21c2ccccc2NC1=O ZINC000002356829 569282673 /nfs/dbraw/zinc/28/26/73/569282673.db2.gz YTWCDEDRBPYGEA-PABYOWBDSA-N 0 1 434.452 2.484 40 5 IEBBMN CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000033862620 556674687 /nfs/dbraw/zinc/67/46/87/556674687.db2.gz HHQCQRRWVWWAQL-DBYOASNMSA-N 0 1 446.463 2.440 40 5 IEBBMN COc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1O ZINC000409099760 556954616 /nfs/dbraw/zinc/95/46/16/556954616.db2.gz TZIMCOMGLHOIAN-OVCLIPMQSA-N 0 1 426.385 2.149 40 5 IEBBMN COc1ccc(-c2noc(CNS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2)c(OC)c1 ZINC000223771938 568877230 /nfs/dbraw/zinc/87/72/30/568877230.db2.gz ZMPABQGOODXKAX-UHFFFAOYSA-N 0 1 434.430 2.449 40 5 IEBBMN CCOC(=O)c1c(C)[nH]nc1-n1ccc2nc3ccn(C[C@@H]4CCCO4)c(=O)c3cc2c1=O ZINC000040399110 556641470 /nfs/dbraw/zinc/64/14/70/556641470.db2.gz XPOUWPSQTPSTLR-AWEZNQCLSA-N 0 1 449.467 2.088 40 5 IEBBMN Cc1ccc(C(=O)Nc2cc3c(cc2N2CCN(C)CC2)n(C)c(=O)n3C)cc1[N+](=O)[O-] ZINC000408526436 557413241 /nfs/dbraw/zinc/41/32/41/557413241.db2.gz BIJRDRZMSSPGHZ-UHFFFAOYSA-N 0 1 438.488 2.098 40 5 IEBBMN CN1CCN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000017094434 569172590 /nfs/dbraw/zinc/17/25/90/569172590.db2.gz MTJYXNRRUITVPA-UHFFFAOYSA-N 0 1 425.489 2.436 40 5 IEBBMN COCc1nc(-n2ccc3nc4ccn(Cc5cccc(F)c5)c(=O)c4cc3c2=O)n[nH]1 ZINC000040399011 556641228 /nfs/dbraw/zinc/64/12/28/556641228.db2.gz PENJINPYXGXLMM-UHFFFAOYSA-N 0 1 432.415 2.153 40 5 IEBBMN CCc1n[nH]c(-n2ccc3nc4ccn(Cc5ccc(OC)cc5)c(=O)c4cc3c2=O)n1 ZINC000040399151 556641500 /nfs/dbraw/zinc/64/15/00/556641500.db2.gz QMGGWLDHLYTDLA-UHFFFAOYSA-N 0 1 428.452 2.438 40 5 IEBBMN CCc1nc(-n2ccc3nc4ccn(Cc5ccc(OC)cc5)c(=O)c4cc3c2=O)n[nH]1 ZINC000040399151 556641503 /nfs/dbraw/zinc/64/15/03/556641503.db2.gz QMGGWLDHLYTDLA-UHFFFAOYSA-N 0 1 428.452 2.438 40 5 IEBBMN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000409096680 556953155 /nfs/dbraw/zinc/95/31/55/556953155.db2.gz KHGOCVJDUJICFF-VGOFMYFVSA-N 0 1 426.385 2.149 40 5 IEBBMN Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@H]2[C@@H](C(C)C)N[C@]3(c4ccccc4NC3=O)[C@H]2C1=O ZINC000016012934 568862619 /nfs/dbraw/zinc/86/26/19/568862619.db2.gz YTWCDEDRBPYGEA-FZONSQQESA-N 0 1 434.452 2.484 40 5 IEBBMN COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)N3)cc1 ZINC000040385255 569500721 /nfs/dbraw/zinc/50/07/21/569500721.db2.gz VUDMNMKVIPQDHW-HNNXBMFYSA-N 0 1 438.400 2.393 40 5 IEBBMN COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)N3)cc1 ZINC000040385252 569500778 /nfs/dbraw/zinc/50/07/78/569500778.db2.gz VUDMNMKVIPQDHW-OAHLLOKOSA-N 0 1 438.400 2.393 40 5 IEBBMN COc1cc(/C=C2\SC(=O)N(CC(=O)NCc3ccco3)C2=O)cc([N+](=O)[O-])c1O ZINC000409202354 556634321 /nfs/dbraw/zinc/63/43/21/556634321.db2.gz RWQMJLFYBRQAHU-AUWJEWJLSA-N 0 1 433.398 2.255 40 5 IEBBMN CCOC(=O)C1=C(C)Nc2nc(SCC(=O)OC)nn2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000014163503 557312455 /nfs/dbraw/zinc/31/24/55/557312455.db2.gz PYVUKUNEAPFWLK-OAHLLOKOSA-N 0 1 433.446 2.303 40 5 IEBBMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000408567459 557417113 /nfs/dbraw/zinc/41/71/13/557417113.db2.gz FASAOXTXCRXXMM-UHFFFAOYSA-N 0 1 428.445 2.151 40 5 IEBBMN Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000104012858 557449500 /nfs/dbraw/zinc/44/95/00/557449500.db2.gz SFXPWAIGSAOZJV-CROMWVBPSA-N 0 1 432.436 2.334 40 5 IEBBMN Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@H]2[C@@H](C(C)C)N[C@]3(c4ccccc4NC3=O)[C@@H]2C1=O ZINC000101994180 557310785 /nfs/dbraw/zinc/31/07/85/557310785.db2.gz YTWCDEDRBPYGEA-ISJRUSPKSA-N 0 1 434.452 2.484 40 5 IEBBMN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000104024834 557449467 /nfs/dbraw/zinc/44/94/67/557449467.db2.gz LBRNRVVTGCJPNW-YQYRJILISA-N 0 1 448.435 2.035 40 5 IEBBMN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O ZINC000034847914 568738456 /nfs/dbraw/zinc/73/84/56/568738456.db2.gz ZVKMTAKXNRSMST-LPSTTYAQSA-N 0 1 448.435 2.035 40 5 IEBBMN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O ZINC000034847914 568738457 /nfs/dbraw/zinc/73/84/57/568738457.db2.gz ZVKMTAKXNRSMST-LPSTTYAQSA-N 0 1 448.435 2.035 40 5 IEBBMN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3ccccc31)N1CCC[C@@H]21 ZINC000008996011 569292704 /nfs/dbraw/zinc/29/27/04/569292704.db2.gz ZVKMTAKXNRSMST-HTIQSUCMSA-N 0 1 448.435 2.035 40 5 IEBBMN COCc1nc(-n2ccc3nc4ccn(Cc5ccc(OC)cc5)c(=O)c4cc3c2=O)n[nH]1 ZINC000040399005 556641182 /nfs/dbraw/zinc/64/11/82/556641182.db2.gz SYQSECBLIBTDSQ-UHFFFAOYSA-N 0 1 444.451 2.022 40 5 IEBBMN Cc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@]4(c5ccccc5NC4=O)[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000101994129 557310885 /nfs/dbraw/zinc/31/08/85/557310885.db2.gz PZOZGFSRURKQCY-ISJRUSPKSA-N 0 1 434.452 2.484 40 5 IEBBMN CCOC(=O)C1=C(C)Nc2nc(SCC(=O)OC)nn2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000014163505 557312447 /nfs/dbraw/zinc/31/24/47/557312447.db2.gz PYVUKUNEAPFWLK-HNNXBMFYSA-N 0 1 433.446 2.303 40 5 IEBBMN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21C(=O)Nc2ccccc21 ZINC000103911031 557442650 /nfs/dbraw/zinc/44/26/50/557442650.db2.gz ZVKMTAKXNRSMST-JYISGYRJSA-N 0 1 448.435 2.035 40 5 IEBBMN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000103911031 557442651 /nfs/dbraw/zinc/44/26/51/557442651.db2.gz ZVKMTAKXNRSMST-JYISGYRJSA-N 0 1 448.435 2.035 40 5 IEBBMN COC(=O)[C@H](C(=O)C(=O)Nc1ccc(C)cc1C)c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O ZINC000017213198 563021664 /nfs/dbraw/zinc/02/16/64/563021664.db2.gz BMHSUUWBFKIQTK-INIZCTEOSA-N 0 1 438.396 2.325 40 5 IEBBMN COC(=O)C(C(=O)C(=O)Nc1ccc(C)cc1C)c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O ZINC000017213198 563021665 /nfs/dbraw/zinc/02/16/65/563021665.db2.gz BMHSUUWBFKIQTK-INIZCTEOSA-N 0 1 438.396 2.325 40 5 IEBBMN COC(=O)[C@@H]1[C@@H](C(=O)OC)Sc2[nH]c(=O)sc2[C@@H]1c1cc([N+](=O)[O-])ccc1O ZINC000016712672 569159917 /nfs/dbraw/zinc/15/99/17/569159917.db2.gz KEVXQYVXTVVSMH-SCVCMEIPSA-N 0 1 426.428 2.031 40 5 IEBBMN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1O ZINC000110102837 569253494 /nfs/dbraw/zinc/25/34/94/569253494.db2.gz HZLYBHPGFUXEFV-SDQBBNPISA-N 0 1 431.357 2.172 40 5 IEBBMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000059294275 569460874 /nfs/dbraw/zinc/46/08/74/569460874.db2.gz GLUYKUHXCNIGEI-UHFFFAOYSA-N 0 1 428.445 2.394 40 5 IEBBMN Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000035829965 526195731 /nfs/dbraw/zinc/19/57/31/526195731.db2.gz UFMJJDKSOFHMOC-ZQAYVECASA-N 0 1 432.436 2.334 40 5 IEBBMN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3ccccc31)N1CCC[C@@H]21 ZINC000104142147 557451674 /nfs/dbraw/zinc/45/16/74/557451674.db2.gz LBMAHEZVNQZSEB-KEXUJGGDSA-N 0 1 432.436 2.334 40 5 IEBBMN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000104142152 557451678 /nfs/dbraw/zinc/45/16/78/557451678.db2.gz LBMAHEZVNQZSEB-CROMWVBPSA-N 0 1 432.436 2.334 40 5 IEBBMN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 ZINC000224132618 568906600 /nfs/dbraw/zinc/90/66/00/568906600.db2.gz ABNZOMHLZNMGIV-UHFFFAOYSA-N 0 1 435.414 2.066 40 5 IEBBMN COCc1nc(-n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)n[nH]1 ZINC000040399012 556641147 /nfs/dbraw/zinc/64/11/47/556641147.db2.gz GNYJZFSGTSVQNX-UHFFFAOYSA-N 0 1 428.452 2.208 40 5 IEBBMN COCc1nc(-n2ccc3nc4ccn(Cc5ccccc5F)c(=O)c4cc3c2=O)n[nH]1 ZINC000040399010 556641186 /nfs/dbraw/zinc/64/11/86/556641186.db2.gz IHYLSIOUMOVEMX-UHFFFAOYSA-N 0 1 432.415 2.153 40 5 IEBBMN CCOC(=O)c1c(C)[nH]nc1-n1ccc2nc3ccn(C[C@H]4CCCO4)c(=O)c3cc2c1=O ZINC000040399111 556641550 /nfs/dbraw/zinc/64/15/50/556641550.db2.gz XPOUWPSQTPSTLR-CQSZACIVSA-N 0 1 449.467 2.088 40 5 IEBBMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000104055150 557449425 /nfs/dbraw/zinc/44/94/25/557449425.db2.gz UFMJJDKSOFHMOC-FZONSQQESA-N 0 1 432.436 2.334 40 5 IEBBMN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3ccccc31)N1CCC[C@@H]21 ZINC000009289612 569295141 /nfs/dbraw/zinc/29/51/41/569295141.db2.gz LBRNRVVTGCJPNW-YRAONVGVSA-N 0 1 448.435 2.035 40 5 IEBBMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000408702483 556617712 /nfs/dbraw/zinc/61/77/12/556617712.db2.gz GVHCZIFGVWXKIN-UHFFFAOYSA-N 0 1 425.488 2.489 40 5 IEBBMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C(C)C)N[C@]32c3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000101994133 557310866 /nfs/dbraw/zinc/31/08/66/557310866.db2.gz PZOZGFSRURKQCY-PABYOWBDSA-N 0 1 434.452 2.484 40 5 IEBBMN Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(c4ccccc4NC3=O)[C@H]2C1=O ZINC000101994187 557310875 /nfs/dbraw/zinc/31/08/75/557310875.db2.gz YTWCDEDRBPYGEA-RTXPOLOASA-N 0 1 434.452 2.484 40 5 IEBBMN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O ZINC000034847918 568738423 /nfs/dbraw/zinc/73/84/23/568738423.db2.gz LBMAHEZVNQZSEB-GKAYAJSDSA-N 0 1 432.436 2.334 40 5 IEBBMN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O ZINC000034847918 568738424 /nfs/dbraw/zinc/73/84/24/568738424.db2.gz LBMAHEZVNQZSEB-GKAYAJSDSA-N 0 1 432.436 2.334 40 5 IEBBMN Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3ccccc31)N1CCC[C@@H]21 ZINC000104012852 557449161 /nfs/dbraw/zinc/44/91/61/557449161.db2.gz SFXPWAIGSAOZJV-KEXUJGGDSA-N 0 1 432.436 2.334 40 5 IEBBMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000044904864 557540678 /nfs/dbraw/zinc/54/06/78/557540678.db2.gz LNSQHDQEKBQRHQ-UHFFFAOYSA-N 0 1 449.470 2.295 40 5 IEBBMN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccccc42)N2CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000009328934 569295580 /nfs/dbraw/zinc/29/55/80/569295580.db2.gz ALIWSXFLFIJKHK-YRAONVGVSA-N 0 1 432.436 2.334 40 5 IEBBMN Cc1ccc(N2C(=O)[C@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000035833083 524929001 /nfs/dbraw/zinc/92/90/01/524929001.db2.gz ALIWSXFLFIJKHK-ZQDYSYBYSA-N 0 1 432.436 2.334 40 5 IEBBMN CCc1n[nH]c(-n2ccc3nc4ccn(Cc5ccccc5OC)c(=O)c4cc3c2=O)n1 ZINC000040399155 556641534 /nfs/dbraw/zinc/64/15/34/556641534.db2.gz ZUVRSBOGQQNMPG-UHFFFAOYSA-N 0 1 428.452 2.438 40 5 IEBBMN CCc1nc(-n2ccc3nc4ccn(Cc5ccccc5OC)c(=O)c4cc3c2=O)n[nH]1 ZINC000040399155 556641537 /nfs/dbraw/zinc/64/15/37/556641537.db2.gz ZUVRSBOGQQNMPG-UHFFFAOYSA-N 0 1 428.452 2.438 40 5 IEBBMN CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000033862621 556674787 /nfs/dbraw/zinc/67/47/87/556674787.db2.gz HHQCQRRWVWWAQL-FIXDAVPBSA-N 0 1 446.463 2.440 40 5 IEBBMN CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1O ZINC000409212722 557007341 /nfs/dbraw/zinc/00/73/41/557007341.db2.gz PXTYVLGQWQWOTK-OVCLIPMQSA-N 0 1 444.375 2.370 40 5 IEBBMN CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000009360638 569295831 /nfs/dbraw/zinc/29/58/31/569295831.db2.gz HHQCQRRWVWWAQL-MTXNFPGFSA-N 0 1 446.463 2.440 40 5 IEBBMN