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([O-])c1ccc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000226353757 231037198 /nfs/dbraw/zinc/03/71/98/231037198.db2.gz UCVOODVUNTUHEZ-UHFFFAOYSA-N -1 1 388.357 3.354 40 5 GGBBMM O=c1[nH]c(C=Cc2ccc(OCCOc3ccccc3)cc2)nc([O-])c1[N+](=O)[O-] ZINC000409339327 231191871 /nfs/dbraw/zinc/19/18/71/231191871.db2.gz HIBPDHIETFJYAE-FLIBITNWSA-N -1 1 395.371 3.424 40 5 GGBBMM C[C@H]1CN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000008055137 204260250 /nfs/dbraw/zinc/26/02/50/204260250.db2.gz COOMPLAGABFUAQ-KBPBESRZSA-N -1 1 391.449 3.009 40 5 GGBBMM CCOc1cc(C=C2NC(=S)[N-]C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000001001054 206210549 /nfs/dbraw/zinc/21/05/49/206210549.db2.gz SWUMELJEILBEEI-OQLLNIDSSA-N -1 1 399.428 3.329 40 5 aggregator GGBBMM COc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1[N+](=O)[O-] ZINC000005602341 136194936 /nfs/dbraw/zinc/19/49/36/136194936.db2.gz IWEDEFZEPFIFLV-UHFFFAOYSA-N -1 1 391.449 3.395 40 5 GGBBMM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000408697935 528425222 /nfs/dbraw/zinc/42/52/22/528425222.db2.gz MXSLVHAUIJCHTD-UHFFFAOYSA-N -1 1 393.421 3.061 40 5 GGBBMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000013669410 570667277 /nfs/dbraw/zinc/66/72/77/570667277.db2.gz MLUDEYNKBBZZRV-UHFFFAOYSA-N -1 1 378.406 3.189 40 5 GGBBMM Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)ccc1N1CCCC1=O ZINC000020453905 1399347503 /nfs/dbraw/zinc/34/75/03/1399347503.db2.gz KORLFRKHLSOIDD-UHFFFAOYSA-N -1 1 389.433 3.139 40 5 GGBBMM O=C([O-])c1ccc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)o1 ZINC000226353914 231036991 /nfs/dbraw/zinc/03/69/91/231036991.db2.gz LCELQMQSQVLYHL-UHFFFAOYSA-N -1 1 388.357 3.354 40 5 GGBBMM O=[N+]([O-])c1cccnc1Sc1nc(-c2cc(Br)ccc2[O-])n[nH]1 ZINC000408608968 231079161 /nfs/dbraw/zinc/07/91/61/231079161.db2.gz XYOYHGUPZBNKQM-UHFFFAOYSA-N -1 1 394.210 3.394 40 5 GGBBMM O=[N+]([O-])c1cccnc1Sc1n[nH]c(-c2cc(Br)ccc2[O-])n1 ZINC000408608968 231079164 /nfs/dbraw/zinc/07/91/64/231079164.db2.gz XYOYHGUPZBNKQM-UHFFFAOYSA-N -1 1 394.210 3.394 40 5 GGBBMM O=c1[nH]c(C=Cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)nc([O-])c1[N+](=O)[O-] ZINC000409350563 231194778 /nfs/dbraw/zinc/19/47/78/231194778.db2.gz RYQQGVVDBWGDCS-XVNBXDOJSA-N -1 1 397.303 3.062 40 5 GGBBMM Cc1ccc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[nH]3)o2)cc1[N+](=O)[O-] ZINC000409349698 231194790 /nfs/dbraw/zinc/19/47/90/231194790.db2.gz VWNCUUCHYOEBOU-ALCCZGGFSA-N -1 1 384.304 3.443 40 5 GGBBMM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000408563293 528047548 /nfs/dbraw/zinc/04/75/48/528047548.db2.gz VDWABFFVTHTKJN-UHFFFAOYSA-N -1 1 392.437 3.269 40 5 GGBBMM CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC(C)C ZINC000409330302 528194179 /nfs/dbraw/zinc/19/41/79/528194179.db2.gz KWZZPTQGWVEDPO-SOFGYWHQSA-N -1 1 375.381 3.400 40 5 GGBBMM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)ccc1OC ZINC000408697711 528424472 /nfs/dbraw/zinc/42/44/72/528424472.db2.gz LHJPBHSPJPILMT-UHFFFAOYSA-N -1 1 393.421 3.061 40 5 GGBBMM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)ccc1C ZINC000408611330 528443724 /nfs/dbraw/zinc/44/37/24/528443724.db2.gz WQGYGOXNGIMRKM-UHFFFAOYSA-N -1 1 391.449 3.152 40 5 GGBBMM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)ccc1C ZINC000408600877 528444032 /nfs/dbraw/zinc/44/40/32/528444032.db2.gz DAAHNLSMFRBHMK-UHFFFAOYSA-N -1 1 391.449 3.152 40 5 GGBBMM CCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1NC(C)=O ZINC000408559276 528588507 /nfs/dbraw/zinc/58/85/07/528588507.db2.gz WIPDZUNSEJZKOA-UHFFFAOYSA-N -1 1 393.421 3.061 40 5 GGBBMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000026529539 564347505 /nfs/dbraw/zinc/34/75/05/564347505.db2.gz DUOSGZLDVWVWDO-UHFFFAOYSA-N -1 1 386.813 3.375 40 5 GGBBMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000223644220 570322824 /nfs/dbraw/zinc/32/28/24/570322824.db2.gz IXSPEEGZRAJZMF-UHFFFAOYSA-N -1 1 389.433 3.139 40 5 GGBBMM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000013612451 570661081 /nfs/dbraw/zinc/66/10/81/570661081.db2.gz RNCBRMHREJPENH-UHFFFAOYSA-N -1 1 378.406 3.189 40 5 GGBBMM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000013647859 570664748 /nfs/dbraw/zinc/66/47/48/570664748.db2.gz KPNCKCCVMCYHJY-UHFFFAOYSA-N -1 1 378.406 3.189 40 5 GGBBMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000055595516 1407018987 /nfs/dbraw/zinc/01/89/87/1407018987.db2.gz VQWPSDZMWFMFSZ-UHFFFAOYSA-N -1 1 389.433 3.361 40 5 GGBBMM CC(C)n1c(=O)sc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)ccc21 ZINC000225707261 1433367649 /nfs/dbraw/zinc/36/76/49/1433367649.db2.gz GYLOPKKDTMKYRP-UHFFFAOYSA-N -1 1 393.446 3.353 40 5 GGBBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1)N1CCCC1 ZINC000408561221 231061928 /nfs/dbraw/zinc/06/19/28/231061928.db2.gz HEZCQRMYRRVBBT-UHFFFAOYSA-N -1 1 390.421 3.023 40 5 GGBBMM Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1C(=O)NCC(C)C ZINC000408581698 231066597 /nfs/dbraw/zinc/06/65/97/231066597.db2.gz AETNSKCSRWVPQC-UHFFFAOYSA-N -1 1 391.449 3.090 40 5 GGBBMM O=C([N-]c1nnc(-c2ccc(Cl)cc2)o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000012032906 209902216 /nfs/dbraw/zinc/90/22/16/209902216.db2.gz UBDXOZLHKWHAIO-UHFFFAOYSA-N -1 1 389.711 3.459 40 5 GGBBMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3C)ccc21 ZINC000153352426 136195434 /nfs/dbraw/zinc/19/54/34/136195434.db2.gz XPMSJFYZLHOBCE-UHFFFAOYSA-N -1 1 389.433 3.003 40 5 GGBBMM O=[N+]([O-])c1ccc([C@H]2Nc3cc(Cl)c(Cl)cc3S(=O)(=O)N2[O-])cc1 ZINC000005022852 564211556 /nfs/dbraw/zinc/21/15/56/564211556.db2.gz XZZKFXGPAMRYOJ-ZDUSSCGKSA-N -1 1 390.204 3.406 40 5 GGBBMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3C)ccc21 ZINC000223525680 570303937 /nfs/dbraw/zinc/30/39/37/570303937.db2.gz XYEJIBVTYFBLSG-UHFFFAOYSA-N -1 1 389.433 3.003 40 5 GGBBMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)c(C)c1 ZINC000005329306 570553051 /nfs/dbraw/zinc/55/30/51/570553051.db2.gz HKAADNZTTQIOEL-UHFFFAOYSA-N -1 1 389.433 3.139 40 5 GGBBMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000013673677 570667284 /nfs/dbraw/zinc/66/72/84/570667284.db2.gz HTMDSCWXXRGWIN-UHFFFAOYSA-N -1 1 378.406 3.189 40 5 GGBBMM CSc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1NC(C)=O ZINC000224770050 570966498 /nfs/dbraw/zinc/96/64/98/570966498.db2.gz DTYNVZOKKXIVRO-UHFFFAOYSA-N -1 1 395.462 3.384 40 5 GGBBMM CCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1NC(C)=O ZINC000223261449 570991660 /nfs/dbraw/zinc/99/16/60/570991660.db2.gz WSHPREHDCOLYRD-UHFFFAOYSA-N -1 1 393.421 3.061 40 5 GGBBMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(C)c2)cc1[N+](=O)[O-] ZINC000012652528 1399051873 /nfs/dbraw/zinc/05/18/73/1399051873.db2.gz XAXCDRWBSKIFSV-UHFFFAOYSA-N -1 1 389.433 3.139 40 5 GGBBMM O=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1[O-] ZINC000059474403 1407923453 /nfs/dbraw/zinc/92/34/53/1407923453.db2.gz NKIIOGGGEZOIIM-UHFFFAOYSA-N -1 1 398.396 3.386 40 5 GGBBMM CCn1c2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3C)cc2sc1=O ZINC000225691240 1433367642 /nfs/dbraw/zinc/36/76/42/1433367642.db2.gz VIIJWQFMBLDLCH-UHFFFAOYSA-N -1 1 393.446 3.100 40 5 GGBBMM O=C([O-])c1ccc(-c2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000226353821 231036962 /nfs/dbraw/zinc/03/69/62/231036962.db2.gz GHTRZIKNNNULSY-UHFFFAOYSA-N -1 1 388.357 3.354 40 5 GGBBMM CSc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1NC(C)=O ZINC000224840581 222663624 /nfs/dbraw/zinc/66/36/24/222663624.db2.gz KTBOZIJTKZTYDQ-UHFFFAOYSA-N -1 1 381.435 3.076 40 5 GGBBMM C[C@@H]1CN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000008055140 221024995 /nfs/dbraw/zinc/02/49/95/221024995.db2.gz COOMPLAGABFUAQ-ZIAGYGMSSA-N -1 1 391.449 3.009 40 5 GGBBMM COc1c([N+](=O)[O-])cc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1[N+](=O)[O-] ZINC000105393776 533448158 /nfs/dbraw/zinc/44/81/58/533448158.db2.gz XSJGELTWJJLYBO-UHFFFAOYSA-N -1 1 396.699 3.326 40 5 GGBBMM CC(C)CNC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000408583219 528050471 /nfs/dbraw/zinc/05/04/71/528050471.db2.gz GNACELOWDRZVTO-UHFFFAOYSA-N -1 1 392.437 3.173 40 5 GGBBMM CCOC(=O)c1ccc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[nH]3)o2)cc1 ZINC000409327764 528195597 /nfs/dbraw/zinc/19/55/97/528195597.db2.gz MPEOZDCIFUFMER-NTMALXAHSA-N -1 1 397.343 3.403 40 5 GGBBMM CCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1NC(=O)CC ZINC000408696424 528589496 /nfs/dbraw/zinc/58/94/96/528589496.db2.gz BHBMZCSHFIDYRV-UHFFFAOYSA-N -1 1 393.421 3.143 40 5 GGBBMM O=c1oc2ccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2s1 ZINC000005508706 564216865 /nfs/dbraw/zinc/21/68/65/564216865.db2.gz NHFFSXJERNBGDO-UHFFFAOYSA-N -1 1 386.794 3.217 40 5 GGBBMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1F ZINC000021508896 564311089 /nfs/dbraw/zinc/31/10/89/564311089.db2.gz ZFEPRMOLUPTGNX-UHFFFAOYSA-N -1 1 375.175 3.297 40 5 GGBBMM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1 ZINC000006206354 1398538404 /nfs/dbraw/zinc/53/84/04/1398538404.db2.gz XSJCFKKMKYHCAR-UHFFFAOYSA-N -1 1 379.394 3.272 40 5 GGBBMM CCn1c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2sc1=O ZINC000225098546 1433367001 /nfs/dbraw/zinc/36/70/01/1433367001.db2.gz DQESTEQUAMXQGQ-UHFFFAOYSA-N -1 1 393.446 3.100 40 5 GGBBMM Cc1ccc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[nH]3)o2)c([N+](=O)[O-])c1 ZINC000409328613 231189825 /nfs/dbraw/zinc/18/98/25/231189825.db2.gz YTQXNLAPZCOGNT-DAXSKMNVSA-N -1 1 384.304 3.443 40 5 GGBBMM CSc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1NC(C)=O ZINC000225803007 206077210 /nfs/dbraw/zinc/07/72/10/206077210.db2.gz GTNIVICYEOTDOY-UHFFFAOYSA-N -1 1 395.462 3.384 40 5 GGBBMM CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1O[C@H](C)CC ZINC000033936278 206100782 /nfs/dbraw/zinc/10/07/82/206100782.db2.gz RPTSTMJEGACHCP-GXMKHXEJSA-N -1 1 375.381 3.130 40 5 GGBBMM O=C(c1cc2ccccc2cc1[O-])N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005940380 136195151 /nfs/dbraw/zinc/19/51/51/136195151.db2.gz IYPVVAUQBHODFZ-UHFFFAOYSA-N -1 1 377.400 3.416 40 5 GGBBMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC(C)C)c1 ZINC000408598123 534344732 /nfs/dbraw/zinc/34/47/32/534344732.db2.gz XDOGEDKLZSTWCX-UHFFFAOYSA-N -1 1 391.449 3.151 40 5 GGBBMM O=C(CSc1nccc(=O)[n-]1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000408544390 534674670 /nfs/dbraw/zinc/67/46/70/534674670.db2.gz HYHNPBGOBVWXIB-UHFFFAOYSA-N -1 1 375.193 3.128 40 5 GGBBMM O=[N+]([O-])c1ccc(Sc2n[nH]c(-c3cc(Br)ccc3[O-])n2)nc1 ZINC000408608940 534882776 /nfs/dbraw/zinc/88/27/76/534882776.db2.gz XTTVLZOHCBPEQC-UHFFFAOYSA-N -1 1 394.210 3.394 40 5 GGBBMM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000408553811 529113699 /nfs/dbraw/zinc/11/36/99/529113699.db2.gz QPXAYQZFHYMOJM-UHFFFAOYSA-N -1 1 379.394 3.272 40 5 GGBBMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000005234127 564213238 /nfs/dbraw/zinc/21/32/38/564213238.db2.gz IOFKDUVXGWSUCM-UHFFFAOYSA-N -1 1 387.211 3.167 40 5 GGBBMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000006505488 564224265 /nfs/dbraw/zinc/22/42/65/564224265.db2.gz NEACPUZDYOLZFI-UHFFFAOYSA-N -1 1 382.829 3.015 40 5 GGBBMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3C)ccc21 ZINC000222821748 570758378 /nfs/dbraw/zinc/75/83/78/570758378.db2.gz AUQJXRXRBHGTOI-UHFFFAOYSA-N -1 1 389.433 3.003 40 5 GGBBMM Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1C(=O)NC(C)C ZINC000408596903 231072769 /nfs/dbraw/zinc/07/27/69/231072769.db2.gz UBXGOIAWRPDOMX-UHFFFAOYSA-N -1 1 391.449 3.151 40 5 GGBBMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2)cc(OCC(F)(F)F)c1 ZINC000002764519 209115168 /nfs/dbraw/zinc/11/51/68/209115168.db2.gz BZJSKAGFOBFVLV-UHFFFAOYSA-N -1 1 394.302 3.476 40 5 GGBBMM O=[N+]([O-])c1ccc([C@@H]2Nc3cc(Cl)c(Cl)cc3S(=O)(=O)N2[O-])cc1 ZINC000001635786 206389305 /nfs/dbraw/zinc/38/93/05/206389305.db2.gz XZZKFXGPAMRYOJ-CYBMUJFWSA-N -1 1 390.204 3.406 40 5 GGBBMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)c2)n[nH]1 ZINC000040152678 207355370 /nfs/dbraw/zinc/35/53/70/207355370.db2.gz NPGFEUHPVOHINB-UHFFFAOYSA-N -1 1 387.421 3.106 40 5 GGBBMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl ZINC000044330280 564466496 /nfs/dbraw/zinc/46/64/96/564466496.db2.gz VEQRVOPCRSTKHI-UHFFFAOYSA-N -1 1 384.797 3.144 40 5 GGBBMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)ccc1Cl ZINC000223830568 565909675 /nfs/dbraw/zinc/90/96/75/565909675.db2.gz CQPGXHOXHLHURS-UHFFFAOYSA-N -1 1 384.797 3.144 40 5 GGBBMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000022960064 570379827 /nfs/dbraw/zinc/37/98/27/570379827.db2.gz PXZAINADXBCALQ-UHFFFAOYSA-N -1 1 391.449 3.232 40 5 GGBBMM CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1O[C@@H](C)CC ZINC000033936279 570514588 /nfs/dbraw/zinc/51/45/88/570514588.db2.gz RPTSTMJEGACHCP-DVBBHNHCSA-N -1 1 375.381 3.130 40 5 GGBBMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1N1CCCC1=O ZINC000005329574 570552960 /nfs/dbraw/zinc/55/29/60/570552960.db2.gz ULGKEFDOJDLICG-UHFFFAOYSA-N -1 1 389.433 3.139 40 5 GGBBMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000055595458 1407018741 /nfs/dbraw/zinc/01/87/41/1407018741.db2.gz QBAGJWOCTBEPKL-UHFFFAOYSA-N -1 1 389.433 3.361 40 5 GGBBMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3C)cc2sc1=O ZINC000225691324 1433367658 /nfs/dbraw/zinc/36/76/58/1433367658.db2.gz HQNYHEMBJAWARG-UHFFFAOYSA-N -1 1 393.446 3.100 40 5 GGBBMM Cc1cc(=O)[n-]c(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000016283969 210188970 /nfs/dbraw/zinc/18/89/70/210188970.db2.gz XHTDPOYTOGYPLX-UHFFFAOYSA-N -1 1 376.272 3.065 40 5 GGBBMM COc1c([N+](=O)[O-])cc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] ZINC000105393858 533448049 /nfs/dbraw/zinc/44/80/49/533448049.db2.gz VCYUXGQXBKETBT-UHFFFAOYSA-N -1 1 396.699 3.326 40 5 GGBBMM 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