smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000060241837 558789564 /nfs/dbraw/zinc/78/95/64/558789564.db2.gz CPKVYZACHUIUOH-LJQANCHMSA-N 0 1 408.376 4.093 50 5 HIBAMN COc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc([N+](=O)[O-])c1O ZINC000013497035 558793620 /nfs/dbraw/zinc/79/36/20/558793620.db2.gz GABHEEZRVXPIJO-ZSOIEALJSA-N 0 1 406.803 4.203 50 5 HIBAMN CC1(C)Cc2oc3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3c2C(=O)C1 ZINC000005030733 559230716 /nfs/dbraw/zinc/23/07/16/559230716.db2.gz KNMVYRJVXLHLER-UHFFFAOYSA-N 0 1 414.439 4.297 50 5 HIBAMN COc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-] ZINC000005127019 568963497 /nfs/dbraw/zinc/96/34/97/568963497.db2.gz OMFFSQWFFTZAMS-UHFFFAOYSA-N 0 1 400.412 4.197 50 5 HIBAMN CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC000009631931 571274813 /nfs/dbraw/zinc/27/48/13/571274813.db2.gz TVQCPPIAOUIETF-UHFFFAOYSA-N 0 1 417.878 4.327 50 5 HIBAMN CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000004525672 558653197 /nfs/dbraw/zinc/65/31/97/558653197.db2.gz YRHHYKHVMIIBCN-UHFFFAOYSA-N 0 1 407.879 4.378 50 5 HIBAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](C[N+](=O)[O-])c1ccc(Br)cc1 ZINC000100848913 560759766 /nfs/dbraw/zinc/75/97/66/560759766.db2.gz GWFLEMYOXYJMJN-MRXNPFEDSA-N 0 1 402.248 4.057 50 5 HIBAMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C1)CCCC2 ZINC000225563336 568773790 /nfs/dbraw/zinc/77/37/90/568773790.db2.gz CRPXXNHTOLJFRH-KRWDZBQOSA-N 0 1 410.518 4.363 50 5 HIBAMN O=C(COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)c1cccc([N+](=O)[O-])c1 ZINC000002859062 568813358 /nfs/dbraw/zinc/81/33/58/568813358.db2.gz LVWJOCFSQBHVFE-UHFFFAOYSA-N 0 1 417.373 4.336 50 5 HIBAMN O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)c1cccc([N+](=O)[O-])c1 ZINC000002859062 568813362 /nfs/dbraw/zinc/81/33/62/568813362.db2.gz LVWJOCFSQBHVFE-UHFFFAOYSA-N 0 1 417.373 4.336 50 5 HIBAMN CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)[N@@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000022853934 557840544 /nfs/dbraw/zinc/84/05/44/557840544.db2.gz NTBYDPFFWWZCHX-IIYDPXPESA-N 0 1 415.519 4.034 50 5 HIBAMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000034889303 568831035 /nfs/dbraw/zinc/83/10/35/568831035.db2.gz BGDZLQHMXJHBNX-RDJZCZTQSA-N 0 1 421.457 4.057 50 5 HIBAMN Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)c(C)c1 ZINC000059377091 568952228 /nfs/dbraw/zinc/95/22/28/568952228.db2.gz HAQQSZGIBUVGOW-AWEZNQCLSA-N 0 1 411.487 4.424 50 5 HIBAMN CCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000008606714 571092146 /nfs/dbraw/zinc/09/21/46/571092146.db2.gz HDYFBSVYZUTQEM-UHFFFAOYSA-N 0 1 421.501 4.449 50 5 HIBAMN CC(C)NC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069847205 571247063 /nfs/dbraw/zinc/24/70/63/571247063.db2.gz MURCTTVQJZJHOH-OAQYLSRUSA-N 0 1 402.539 4.169 50 5 HIBAMN O=[N+]([O-])c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000023114673 559011361 /nfs/dbraw/zinc/01/13/61/559011361.db2.gz JPGMIOUDICSWLK-UHFFFAOYSA-N 0 1 418.453 4.415 50 5 HIBAMN CN(C)CCN1C(=O)c2oc3c4ccccc4ccc3c(=O)c2[C@@H]1c1ccccc1F ZINC000011614620 559114351 /nfs/dbraw/zinc/11/43/51/559114351.db2.gz DDHXPJHMSOCMMX-NRFANRHFSA-N 0 1 416.452 4.192 50 5 HIBAMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2sc(=O)oc2c2ccccc12 ZINC000004149967 568946307 /nfs/dbraw/zinc/94/63/07/568946307.db2.gz CDQCTDKSRHVWHG-UHFFFAOYSA-N 0 1 416.436 4.025 50 5 HIBAMN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCN(c2ccc(F)cc2)CC1 ZINC000089364874 569058696 /nfs/dbraw/zinc/05/86/96/569058696.db2.gz YXZUNVWOJWBCPJ-UHFFFAOYSA-N 0 1 410.449 4.490 50 5 HIBAMN O=C(NC(Nc1cccc([N+](=O)[O-])c1)(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000002275089 569327713 /nfs/dbraw/zinc/32/77/13/569327713.db2.gz VDDARNRSHDPBEF-UHFFFAOYSA-N 0 1 407.270 4.258 50 5 HIBAMN CN(C)CCN1C(=O)c2oc3c4ccccc4ccc3c(=O)c2[C@H]1c1ccccc1F ZINC000011614621 559113507 /nfs/dbraw/zinc/11/35/07/559113507.db2.gz DDHXPJHMSOCMMX-OAQYLSRUSA-N 0 1 416.452 4.192 50 5 HIBAMN Cc1c(NC(=O)CN(Cc2ccc3c(c2)OCO3)C2CCCC2)cccc1[N+](=O)[O-] ZINC000012857282 569011169 /nfs/dbraw/zinc/01/11/69/569011169.db2.gz UHEACJUPEPYECE-UHFFFAOYSA-N 0 1 411.458 4.015 50 5 HIBAMN Cc1ccn2cc(-c3cccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 ZINC000004426979 558531534 /nfs/dbraw/zinc/53/15/34/558531534.db2.gz RXRQZXFOBHBMAI-UHFFFAOYSA-N 0 1 408.439 4.019 50 5 HIBAMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000004493731 558610050 /nfs/dbraw/zinc/61/00/50/558610050.db2.gz YXHUQBIXSXMCHD-UHFFFAOYSA-N 0 1 408.439 4.019 50 5 HIBAMN Cc1[nH]c(SCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)nc1CC(C)C ZINC000004625827 558890073 /nfs/dbraw/zinc/89/00/73/558890073.db2.gz HJWJYRNZUAJDBS-UHFFFAOYSA-N 0 1 405.505 4.165 50 5 HIBAMN COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1[N+](=O)[O-] ZINC000001209798 568823708 /nfs/dbraw/zinc/82/37/08/568823708.db2.gz PIJIGAKMYYDJFC-UHFFFAOYSA-N 0 1 405.366 4.370 50 5 HIBAMN CCc1ccc(-c2n[nH]c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2)cc1 ZINC000013102074 569409048 /nfs/dbraw/zinc/40/90/48/569409048.db2.gz YZAQPFPPMLOSCT-UHFFFAOYSA-N 0 1 417.878 4.327 50 5 HIBAMN CC(C)NC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069847206 571247000 /nfs/dbraw/zinc/24/70/00/571247000.db2.gz MURCTTVQJZJHOH-NRFANRHFSA-N 0 1 402.539 4.169 50 5 HIBAMN CSc1ccccc1C(=O)N(CCN(C)C)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000005242605 558465181 /nfs/dbraw/zinc/46/51/81/558465181.db2.gz QYIMQKONKIHZSO-UHFFFAOYSA-N 0 1 416.528 4.135 50 5 HIBAMN CCOC(=O)c1c2c(sc1NC(=O)c1noc(C(C)C)c1[N+](=O)[O-])CCCC2 ZINC000004937673 559211090 /nfs/dbraw/zinc/21/10/90/559211090.db2.gz ZPXVVEVHSGROKQ-UHFFFAOYSA-N 0 1 407.448 4.076 50 5 HIBAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](C[N+](=O)[O-])c1cccc(Br)c1 ZINC000100848916 560760000 /nfs/dbraw/zinc/76/00/00/560760000.db2.gz MGUWWVYEIYQEPV-INIZCTEOSA-N 0 1 402.248 4.057 50 5 HIBAMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000034889304 568830933 /nfs/dbraw/zinc/83/09/33/568830933.db2.gz BGDZLQHMXJHBNX-WBVHZDCISA-N 0 1 421.457 4.057 50 5 HIBAMN O=C(Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000058430313 568917953 /nfs/dbraw/zinc/91/79/53/568917953.db2.gz FJVYGFCEKPDKPA-SMDDNHRTSA-N 0 1 420.194 4.000 50 5 HIBAMN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc2nc(-c3ccc(Cl)cn3)[nH]c2c1 ZINC000079074232 569426976 /nfs/dbraw/zinc/42/69/76/569426976.db2.gz OFYKFGBGKQTQLB-UHFFFAOYSA-N 0 1 423.816 4.204 50 5 HIBAMN Cc1oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2c1C(=O)OC(C)C ZINC000008661042 571099441 /nfs/dbraw/zinc/09/94/41/571099441.db2.gz VURWQJKABYVCFU-UHFFFAOYSA-N 0 1 418.427 4.015 50 5 HIBAMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000004715910 558914376 /nfs/dbraw/zinc/91/43/76/558914376.db2.gz DXSFGFOHWDSSFT-UHFFFAOYSA-N 0 1 403.851 4.073 50 5 HIBAMN CCCCNc1c([N+](=O)[O-])cc(C(O)(C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000004186875 568950000 /nfs/dbraw/zinc/95/00/00/568950000.db2.gz MBGXPCFXUOMGHV-UHFFFAOYSA-N 0 1 405.251 4.027 50 5 HIBAMN COc1ccc(CN2CCC(Nc3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1F ZINC000048252605 568434314 /nfs/dbraw/zinc/43/43/14/568434314.db2.gz XKASZNOJYWIHDN-UHFFFAOYSA-N 0 1 410.449 4.367 50 5 HIBAMN CCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000008606713 571092400 /nfs/dbraw/zinc/09/24/00/571092400.db2.gz DQKBGANWOKZBST-UHFFFAOYSA-N 0 1 421.501 4.449 50 5 HIBAMN O=C(NCc1n[nH]c(=S)n1-c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000009368559 571252450 /nfs/dbraw/zinc/25/24/50/571252450.db2.gz SBFPUPXYTZHVON-UHFFFAOYSA-N 0 1 424.269 4.075 50 5 HIBAMN CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 ZINC000009982254 571293561 /nfs/dbraw/zinc/29/35/61/571293561.db2.gz WFEOOYKBVGIVSX-UHFFFAOYSA-N 0 1 417.878 4.327 50 5 HIBAMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000046321592 558842553 /nfs/dbraw/zinc/84/25/53/558842553.db2.gz XUGRXGJBQKWDRT-MRXNPFEDSA-N 0 1 407.455 4.448 50 5 HIBAMN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000033293731 559048690 /nfs/dbraw/zinc/04/86/90/559048690.db2.gz UPVSSGFVFPRGOP-OVCLIPMQSA-N 0 1 420.830 4.199 50 5 HIBAMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C1)CCCC2 ZINC000225563368 568651409 /nfs/dbraw/zinc/65/14/09/568651409.db2.gz CRPXXNHTOLJFRH-QGZVFWFLSA-N 0 1 410.518 4.363 50 5 HIBAMN O=[N+]([O-])c1ccccc1-c1n[nH]c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000003616988 568919729 /nfs/dbraw/zinc/91/97/29/568919729.db2.gz WQBPPKMCNIYSIG-UHFFFAOYSA-N 0 1 411.321 4.458 50 5 HIBAMN O=C(NCC(F)(F)F)c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000037170568 569239378 /nfs/dbraw/zinc/23/93/78/569239378.db2.gz XMFPHQCEULKVSM-UHFFFAOYSA-N 0 1 407.392 4.052 50 5 HIBAMN Cc1cc(C)c(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)c(C)c1 ZINC000009446070 571259430 /nfs/dbraw/zinc/25/94/30/571259430.db2.gz AQKUVBWJANBKGS-UHFFFAOYSA-N 0 1 413.415 4.199 50 5 HIBAMN COc1cc(CN2CCN(Cc3cccc4ccccc43)CC2)c([N+](=O)[O-])cc1OC ZINC000004614100 558852236 /nfs/dbraw/zinc/85/22/36/558852236.db2.gz PEFYMVVGAZUCDP-UHFFFAOYSA-N 0 1 421.497 4.083 50 5 HIBAMN Cc1ccc2[nH]c(-c3cccc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 ZINC000004755945 559048853 /nfs/dbraw/zinc/04/88/53/559048853.db2.gz REFSQRDTZUPBNA-UHFFFAOYSA-N 0 1 408.439 4.247 50 5 HIBAMN Cc1ccc2nc(-c3cccc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1 ZINC000004755945 559048856 /nfs/dbraw/zinc/04/88/56/559048856.db2.gz REFSQRDTZUPBNA-UHFFFAOYSA-N 0 1 408.439 4.247 50 5 HIBAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](C[N+](=O)[O-])c1ccc(Br)cc1 ZINC000100848911 560759782 /nfs/dbraw/zinc/75/97/82/560759782.db2.gz GWFLEMYOXYJMJN-INIZCTEOSA-N 0 1 402.248 4.057 50 5 HIBAMN O=C(Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000058430305 568918010 /nfs/dbraw/zinc/91/80/10/568918010.db2.gz FJVYGFCEKPDKPA-FZMZJTMJSA-N 0 1 420.194 4.000 50 5 HIBAMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 ZINC000012885559 569019503 /nfs/dbraw/zinc/01/95/03/569019503.db2.gz IJWHLPGOFYILCO-UHFFFAOYSA-N 0 1 405.657 4.120 50 5 HIBAMN Cc1ccc2sc(N(CCN(C)C)C(=O)c3ccc([N+](=O)[O-])s3)nc2c1C ZINC000005121553 559248553 /nfs/dbraw/zinc/24/85/53/559248553.db2.gz IICZQFJAIVCNJX-UHFFFAOYSA-N 0 1 404.517 4.091 50 5 HIBAMN CC(C)n1c(CN2CCCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000046007484 568423605 /nfs/dbraw/zinc/42/36/05/568423605.db2.gz SCGGBAGAPVVLLA-UHFFFAOYSA-N 0 1 407.474 4.374 50 5 HIBAMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000048303007 568437900 /nfs/dbraw/zinc/43/79/00/568437900.db2.gz HZHFXAYZECTEDU-FQEVSTJZSA-N 0 1 404.451 4.321 50 5 HIBAMN COc1ccc([C@@H](CN2CCCC2)Nc2ncc([N+](=O)[O-])cc2Br)cc1 ZINC000095468677 568625376 /nfs/dbraw/zinc/62/53/76/568625376.db2.gz JTEHAFHDUWTBRY-QGZVFWFLSA-N 0 1 421.295 4.010 50 5 HIBAMN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cnc(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000096012102 568684435 /nfs/dbraw/zinc/68/44/35/568684435.db2.gz OTTXDKVROOOIAC-UHFFFAOYSA-N 0 1 420.347 4.156 50 5 HIBAMN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc([N+](=O)[O-])c1O ZINC000037209204 569240127 /nfs/dbraw/zinc/24/01/27/569240127.db2.gz JBQCZFLSJFQVNB-NVNXTCNLSA-N 0 1 420.830 4.199 50 5 HIBAMN O=[N+]([O-])c1ccc(NCc2ccccn2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000009631611 571274674 /nfs/dbraw/zinc/27/46/74/571274674.db2.gz DINSAXPBBZDSLR-UHFFFAOYSA-N 0 1 418.862 4.056 50 5 HIBAMN C[C@@H](Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000004687386 132283293 /nfs/dbraw/zinc/28/32/93/132283293.db2.gz MJSSEBUKKLNBQW-CQSZACIVSA-N 0 1 419.323 4.282 50 5 HIBAMN CN(C)CCN1C(=O)c2oc3c4ccccc4ccc3c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000011614612 559114247 /nfs/dbraw/zinc/11/42/47/559114247.db2.gz ACFRVINXQBOVCL-NRFANRHFSA-N 0 1 416.452 4.192 50 5 HIBAMN CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)[N@@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000015391751 568885153 /nfs/dbraw/zinc/88/51/53/568885153.db2.gz NTBYDPFFWWZCHX-AHIWAGSCSA-N 0 1 415.519 4.034 50 5 HIBAMN CCCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000107052505 560895086 /nfs/dbraw/zinc/89/50/86/560895086.db2.gz DYEURHSIDPBILV-RBUKOAKNSA-N 0 1 403.523 4.292 50 5 HIBAMN CCOC(=O)c1[nH]c2ccc(OC)cc2c1[C@@H](NC(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000020033266 568586445 /nfs/dbraw/zinc/58/64/45/568586445.db2.gz GTTOPZYFMMFADL-FQEVSTJZSA-N 0 1 411.458 4.349 50 5 HIBAMN CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2)cc1 ZINC000012620249 568872491 /nfs/dbraw/zinc/87/24/91/568872491.db2.gz CAXFYWSZNOBVOE-NSHDSACASA-N 0 1 415.450 4.201 50 5 HIBAMN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000036047218 569081500 /nfs/dbraw/zinc/08/15/00/569081500.db2.gz UPVSSGFVFPRGOP-NVNXTCNLSA-N 0 1 420.830 4.199 50 5 HIBAMN Cc1cccn2cc(-c3cccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)c3)nc12 ZINC000004978823 559220322 /nfs/dbraw/zinc/22/03/22/559220322.db2.gz FJGNGGGCKJJNJL-UHFFFAOYSA-N 0 1 408.439 4.019 50 5 HIBAMN COc1ccccc1NS(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001234532 568883081 /nfs/dbraw/zinc/88/30/81/568883081.db2.gz BWJLWRNWROZVQU-UHFFFAOYSA-N 0 1 400.412 4.197 50 5 HIBAMN COc1ccc(CN2CCC(Nc3ccc4ncccc4c3[N+](=O)[O-])CC2)cc1F ZINC000040153847 571201127 /nfs/dbraw/zinc/20/11/27/571201127.db2.gz YTNAMDSSAWIHTP-UHFFFAOYSA-N 0 1 410.449 4.367 50 5 HIBAMN COc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000013522297 558836000 /nfs/dbraw/zinc/83/60/00/558836000.db2.gz PADTZIJWSMJYJO-AUWJEWJLSA-N 0 1 406.803 4.203 50 5 HIBAMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000048303006 568437927 /nfs/dbraw/zinc/43/79/27/568437927.db2.gz HZHFXAYZECTEDU-HXUWFJFHSA-N 0 1 404.451 4.321 50 5 HIBAMN COc1ccc([C@H](CN2CCCC2)Nc2ncc([N+](=O)[O-])cc2Br)cc1 ZINC000095468678 568625399 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O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000046321591 558842495 /nfs/dbraw/zinc/84/24/95/558842495.db2.gz XUGRXGJBQKWDRT-INIZCTEOSA-N 0 1 407.455 4.448 50 5 HIBAMN CCOC(=O)c1[nH]c2ccc(OC)cc2c1[C@H](NC(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000020033270 521369071 /nfs/dbraw/zinc/36/90/71/521369071.db2.gz GTTOPZYFMMFADL-HXUWFJFHSA-N 0 1 411.458 4.349 50 5 HIBAMN COc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000013522305 558836042 /nfs/dbraw/zinc/83/60/42/558836042.db2.gz ZVOCMQBKGMSPSX-ZSOIEALJSA-N 0 1 406.803 4.203 50 5 HIBAMN CC(C)(C)c1ccc(C(=O)NCc2n[nH]c(=S)n2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005128740 559248995 /nfs/dbraw/zinc/24/89/95/559248995.db2.gz ZYWGDCUOKHBFLK-UHFFFAOYSA-N 0 1 411.487 4.066 50 5 HIBAMN CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)cc2Cl ZINC000004078535 568882013 /nfs/dbraw/zinc/88/20/13/568882013.db2.gz YVSNNKHHXRSVBU-UHFFFAOYSA-N 0 1 408.819 4.306 50 5 HIBAMN O=[N+]([O-])c1cc(CN2CCC[C@H](c3nc4ccccc4s3)C2)c2c(c1)COCO2 ZINC000016694780 569070490 /nfs/dbraw/zinc/07/04/90/569070490.db2.gz RONPELDAQNBWSE-AWEZNQCLSA-N 0 1 411.483 4.451 50 5 HIBAMN Cc1cc(S(=O)(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc([N+](=O)[O-])c1F ZINC000089587238 569070745 /nfs/dbraw/zinc/07/07/45/569070745.db2.gz KLMBSAUBHONJSF-UHFFFAOYSA-N 0 1 407.423 4.282 50 5 HIBAMN Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3Cl)n[nH]2)cc1[N+](=O)[O-] ZINC000013371467 569412899 /nfs/dbraw/zinc/41/28/99/569412899.db2.gz HJIVTIIHNKIFMZ-NSHDSACASA-N 0 1 417.878 4.461 50 5 HIBAMN CCCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000078869634 569420885 /nfs/dbraw/zinc/42/08/85/569420885.db2.gz DYEURHSIDPBILV-MOPGFXCFSA-N 0 1 403.523 4.292 50 5 HIBAMN O=C1CCCc2oc3c(cc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3Cl)c21 ZINC000008765717 571114060 /nfs/dbraw/zinc/11/40/60/571114060.db2.gz YINRDBIFUINPQL-UHFFFAOYSA-N 0 1 420.830 4.314 50 5 HIBAMN CCNc1cc(C(=O)c2cc(F)ccc2O)cn2c(=O)c3ccc(Cl)cc3nc12 ZINC000009578686 571270064 /nfs/dbraw/zinc/27/00/64/571270064.db2.gz XJZRRZQUBMYFPH-UHFFFAOYSA-N 0 1 411.820 4.009 50 5 HIBAMN CSc1cccc(C(=O)N(CCN(C)C)c2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000005242606 560549675 /nfs/dbraw/zinc/54/96/75/560549675.db2.gz DCJGAHYVFPGABV-UHFFFAOYSA-N 0 1 416.528 4.135 50 5 HIBAMN O=C(c1cc(Cl)c2nc3cc(Cl)ccc3c(=O)n2c1)c1cc(F)ccc1O ZINC000003382961 568892897 /nfs/dbraw/zinc/89/28/97/568892897.db2.gz NBEIEJZGTKOORX-UHFFFAOYSA-N 0 1 403.196 4.230 50 5 HIBAMN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(Cl)c(C(F)(F)F)c2)c2nonc21 ZINC000004179523 568948312 /nfs/dbraw/zinc/94/83/12/568948312.db2.gz FGGPRZRITJGCNL-UHFFFAOYSA-N 0 1 403.660 4.455 50 5 HIBAMN C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000008072815 568971685 /nfs/dbraw/zinc/97/16/85/568971685.db2.gz QXARVUOVRIMEDF-SNVBAGLBSA-N 0 1 403.851 4.153 50 5 HIBAMN O=[N+]([O-])c1ccc2[nH]c(CSc3nc4ccc(Br)cc4[nH]3)nc2c1 ZINC000004599749 558835321 /nfs/dbraw/zinc/83/53/21/558835321.db2.gz FDSARDDWTKRNBB-UHFFFAOYSA-N 0 1 404.249 4.402 50 5 HIBAMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000013937870 558984771 /nfs/dbraw/zinc/98/47/71/558984771.db2.gz ZTUSOJFJSJRWBM-UHFFFAOYSA-N 0 1 414.283 4.433 50 5 HIBAMN Cc1ccn2cc(-c3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 ZINC000004978886 559220316 /nfs/dbraw/zinc/22/03/16/559220316.db2.gz HZTMOVNDKZKLTH-UHFFFAOYSA-N 0 1 408.439 4.019 50 5 HIBAMN O=C(Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000058430302 568917932 /nfs/dbraw/zinc/91/79/32/568917932.db2.gz FJVYGFCEKPDKPA-RISCZKNCSA-N 0 1 420.194 4.000 50 5 HIBAMN O=C1Nc2ccc(S(=O)(=O)Nc3cccc4c3cccc4[N+](=O)[O-])c3cccc1c23 ZINC000006142787 569014397 /nfs/dbraw/zinc/01/43/97/569014397.db2.gz GZWYKIVMLMQMKT-UHFFFAOYSA-N 0 1 419.418 4.268 50 5 HIBAMN CCc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(C)c(C)cc3[N+](=O)[O-])n2)cc1 ZINC000006168873 569016358 /nfs/dbraw/zinc/01/63/58/569016358.db2.gz NKBQGUPMAMOGES-UHFFFAOYSA-N 0 1 411.487 4.290 50 5 HIBAMN Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3Cl)n[nH]2)cc1[N+](=O)[O-] ZINC000013371463 569412967 /nfs/dbraw/zinc/41/29/67/569412967.db2.gz HJIVTIIHNKIFMZ-LLVKDONJSA-N 0 1 417.878 4.461 50 5 HIBAMN