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-])CN1C(=O)N/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O ZINC000408591304 231070755 /nfs/dbraw/zinc/07/07/55/231070755.db2.gz JMVTWTLMTNYNAO-RIYZIHGNSA-N -1 0 397.343 2.151 40 5 GEBBRM Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc([O-])ccc3[N+](=O)[O-])C2=O)c1 ZINC000409098409 231160158 /nfs/dbraw/zinc/16/01/58/231160158.db2.gz LIEUZJCHTXJWHQ-OQLLNIDSSA-N -1 0 396.359 2.140 40 5 GEBBRM O=C([O-])c1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000017079594 205908478 /nfs/dbraw/zinc/90/84/78/205908478.db2.gz TVIFBIMYBONCHU-UHFFFAOYSA-N -1 0 390.333 2.328 40 5 GEBBRM COC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)ccc1C ZINC000223800228 206005668 /nfs/dbraw/zinc/00/56/68/206005668.db2.gz NLKNWYDFILFJAC-UHFFFAOYSA-N -1 0 380.378 2.499 40 5 GEBBRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1ccc(F)c(F)c1 ZINC000225088666 206035974 /nfs/dbraw/zinc/03/59/74/206035974.db2.gz PUMKYSHCMHMUDP-UHFFFAOYSA-N -1 0 386.332 2.461 40 5 GEBBRM COc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])cc1[N+](=O)[O-] ZINC000408627640 570387879 /nfs/dbraw/zinc/38/78/79/570387879.db2.gz MWUWMPCKEVPDGH-UHFFFAOYSA-N -1 0 392.349 2.344 40 5 GEBBRM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000006613956 570504063 /nfs/dbraw/zinc/50/40/63/570504063.db2.gz PFVZSBUQRUZLJI-UHFFFAOYSA-N -1 0 389.389 2.493 40 5 GEBBRM O=C([O-])c1ccccc1NC(=S)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000006615593 570504080 /nfs/dbraw/zinc/50/40/80/570504080.db2.gz BIKUDHIOYCEJSI-UHFFFAOYSA-N -1 0 375.362 2.185 40 5 GEBBRM CCOc1cc(Br)cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1O ZINC000006892264 531535104 /nfs/dbraw/zinc/53/51/04/531535104.db2.gz YOXYVBKFFGVLDM-ONEGZZNKSA-N -1 0 398.169 2.009 40 5 GEBBRM O=C([O-])[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@@H](Cn4c(=O)cccc43)[C@@H]12 ZINC000008997283 203826497 /nfs/dbraw/zinc/82/64/97/203826497.db2.gz YUEJFTLURJVZMA-AEVLCDIHSA-N -1 0 381.388 2.006 40 5 GEBBRM O=C([O-])c1cccc(NC(=S)NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000006615812 570503997 /nfs/dbraw/zinc/50/39/97/570503997.db2.gz KESBLJLVFBCPTF-UHFFFAOYSA-N -1 0 375.362 2.185 40 5 GEBBRM O=C([O-])c1ccccc1NC(=S)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000006615590 570504166 /nfs/dbraw/zinc/50/41/66/570504166.db2.gz PSLDSRLDKRAOIA-UHFFFAOYSA-N -1 0 375.362 2.185 40 5 GEBBRM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000014256260 570880060 /nfs/dbraw/zinc/88/00/60/570880060.db2.gz VEQWBGLJJKFRAM-UHFFFAOYSA-N -1 0 396.377 2.199 40 5 GEBBRM O=C([O-])CN1C(=O)N/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O ZINC000408593657 231072259 /nfs/dbraw/zinc/07/22/59/231072259.db2.gz MZQAARTXOXNKMB-WDZFZDKYSA-N -1 0 391.723 2.486 40 5 GEBBRM O=C([O-])c1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408712628 231102736 /nfs/dbraw/zinc/10/27/36/231102736.db2.gz CNZJLCABJPTWBQ-UHFFFAOYSA-N -1 0 385.376 2.344 40 5 GEBBRM COc1ccc([N+](=O)[O-])cc1N(CC(=O)[O-])S(=O)(=O)c1ccc(C)cc1 ZINC000020061350 204700773 /nfs/dbraw/zinc/70/07/73/204700773.db2.gz BGQLNXDSCQDDSU-UHFFFAOYSA-N -1 0 380.378 2.192 40 5 GEBBRM Cc1c(N(CC(=O)[O-])S(=O)(=O)c2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000224756436 206027322 /nfs/dbraw/zinc/02/73/22/206027322.db2.gz KIZUQACAPDOLRQ-UHFFFAOYSA-N -1 0 395.349 2.091 40 5 GEBBRM CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)s1 ZINC000225459776 206048367 /nfs/dbraw/zinc/04/83/67/206048367.db2.gz MQNRGPMHFWWJCL-UHFFFAOYSA-N -1 0 385.427 2.232 40 5 GEBBRM CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000005457586 570328777 /nfs/dbraw/zinc/32/87/77/570328777.db2.gz NYDFVUOGOFWVFR-MOPGFXCFSA-N -1 0 396.403 2.163 40 5 GEBBRM CCOc1ccc(-n2c3ccc([N+](=O)[O-])cc3cc3c(=O)[n-]c(=O)nc2-3)cc1 ZINC000005126004 570731373 /nfs/dbraw/zinc/73/13/73/570731373.db2.gz HKZQQWOVMZLSGW-UHFFFAOYSA-N -1 0 378.344 2.486 40 5 GEBBRM CCOC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(OCC)c2[O-])C1=O ZINC000205678315 570758423 /nfs/dbraw/zinc/75/84/23/570758423.db2.gz JIDHPIGQKGNQLA-WUXMJOGZSA-N -1 0 396.377 2.299 40 5 GEBBRM Nn1c(SCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)nnc1-c1ccccc1 ZINC000409153358 231172326 /nfs/dbraw/zinc/17/23/26/231172326.db2.gz LGWZBYWTDFWWPJ-UHFFFAOYSA-N -1 0 386.393 2.004 40 5 GEBBRM CCn1c(=O)c2c([O-])c(I)c(=O)oc2c2ccccc21 ZINC000016162839 204590122 /nfs/dbraw/zinc/59/01/22/204590122.db2.gz YVWFQXJRBJRYGJ-UHFFFAOYSA-N -1 0 383.141 2.438 40 5 GEBBRM COc1ccc(C)cc1N(CC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225004112 206032476 /nfs/dbraw/zinc/03/24/76/206032476.db2.gz WSRQFRFHCVTSCF-UHFFFAOYSA-N -1 0 380.378 2.192 40 5 GEBBRM CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000005457713 570328632 /nfs/dbraw/zinc/32/86/32/570328632.db2.gz NYDFVUOGOFWVFR-RTBURBONSA-N -1 0 396.403 2.163 40 5 GEBBRM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1C)oc(=O)n2C ZINC000223339924 571045712 /nfs/dbraw/zinc/04/57/12/571045712.db2.gz GHYOWSOJRDPIQK-UHFFFAOYSA-N -1 0 377.378 2.457 40 5 GEBBRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Sc1nnnn1-c1ccccc1 ZINC000016523862 204595705 /nfs/dbraw/zinc/59/57/05/204595705.db2.gz PGSOHMMIQPEMTC-UHFFFAOYSA-N -1 0 388.321 2.328 40 5 GEBBRM COc1ccccc1N(CC(=O)[O-])S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224774720 206026888 /nfs/dbraw/zinc/02/68/88/206026888.db2.gz RUEFNCDDSWBUBB-UHFFFAOYSA-N -1 0 380.378 2.192 40 5 GEBBRM Cc1c(N(CC(=O)[O-])S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000225035043 206034591 /nfs/dbraw/zinc/03/45/91/206034591.db2.gz NBUOZSGYWKCDBD-UHFFFAOYSA-N -1 0 395.349 2.091 40 5 GEBBRM CCN1CCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3C2CC2)CC1 ZINC000255188675 206150700 /nfs/dbraw/zinc/15/07/00/206150700.db2.gz KTGJVTQBAFURFU-UHFFFAOYSA-N -1 0 386.408 2.085 40 5 GEBBRM CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Br)c1O ZINC000035062397 570223296 /nfs/dbraw/zinc/22/32/96/570223296.db2.gz JEWFYMJJYIFAGK-ARJAWSKDSA-N -1 0 398.169 2.421 40 5 GEBBRM CC1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000071979830 205301572 /nfs/dbraw/zinc/30/15/72/205301572.db2.gz STZKAEAGLUQQDP-FBUIMKQZSA-N -1 0 393.352 2.335 40 5 GEBBRM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000216236114 205931006 /nfs/dbraw/zinc/93/10/06/205931006.db2.gz HNNYKMITBHCPNI-UHFFFAOYSA-N -1 0 380.378 2.332 40 5 GEBBRM Cc1c([N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cccc1[N+](=O)[O-] ZINC000225878200 206082533 /nfs/dbraw/zinc/08/25/33/206082533.db2.gz LIFRRCHHMOZQMJ-UHFFFAOYSA-N -1 0 385.427 2.150 40 5 GEBBRM O=C([O-])CCCCCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575420000 570307236 /nfs/dbraw/zinc/30/72/36/570307236.db2.gz CZHTWTACBSEIIF-MRXNPFEDSA-N -1 0 384.454 2.229 40 5 GEBBRM O=C([O-])CCCCCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000575419999 570307287 /nfs/dbraw/zinc/30/72/87/570307287.db2.gz CZHTWTACBSEIIF-INIZCTEOSA-N -1 0 384.454 2.229 40 5 GEBBRM COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000014398409 570310642 /nfs/dbraw/zinc/31/06/42/570310642.db2.gz RVMUYFCDWVEMJK-UHFFFAOYSA-N -1 0 393.421 2.080 40 5 GEBBRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc3c(cc2Br)OCO3)[nH]1 ZINC000033423963 642504498 /nfs/dbraw/zinc/50/44/98/642504498.db2.gz IFIXJLPIKPSZFQ-OWOJBTEDSA-N -1 0 382.126 2.045 40 5 GEBBRM O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000408628907 231089243 /nfs/dbraw/zinc/08/92/43/231089243.db2.gz XVZYCQVNKYBOSO-UHFFFAOYSA-N -1 0 375.362 2.198 40 5 GEBBRM CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c(Br)cc1O ZINC000006354847 531526801 /nfs/dbraw/zinc/52/68/01/531526801.db2.gz OFNIJUDEXUIFBN-ONEGZZNKSA-N -1 0 398.169 2.009 40 5 GEBBRM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000041153913 205078095 /nfs/dbraw/zinc/07/80/95/205078095.db2.gz RHLTWZJYNFNKGQ-UHFFFAOYSA-N -1 0 390.377 2.132 40 5 GEBBRM CCOc1cccc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000224759488 206027080 /nfs/dbraw/zinc/02/70/80/206027080.db2.gz AXKGGLOEANZYFC-UHFFFAOYSA-N -1 0 380.378 2.273 40 5 GEBBRM COc1ccccc1N(CC(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225078448 206034998 /nfs/dbraw/zinc/03/49/98/206034998.db2.gz FHLJWTRMFFRNRD-UHFFFAOYSA-N -1 0 380.378 2.192 40 5 GEBBRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc([N+](=O)[O-])c2C)cc1F ZINC000225113320 206037762 /nfs/dbraw/zinc/03/77/62/206037762.db2.gz AXDWDNNYJLBJNN-UHFFFAOYSA-N -1 0 398.368 2.331 40 5 GEBBRM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000006613960 570504249 /nfs/dbraw/zinc/50/42/49/570504249.db2.gz BPPIANBHLNRXPW-UHFFFAOYSA-N -1 0 389.389 2.493 40 5 GEBBRM Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1 ZINC000409023904 231148663 /nfs/dbraw/zinc/14/86/63/231148663.db2.gz MQGINGSXKVXOLQ-OQLLNIDSSA-N -1 0 396.359 2.140 40 5 GEBBRM CN(C)c1cc2[nH]c(=O)[nH]c2cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000408530564 529774434 /nfs/dbraw/zinc/77/44/34/529774434.db2.gz MFHDFTQOYGKJQV-UHFFFAOYSA-N -1 0 377.382 2.044 40 5 GEBBRM COc1ccc(NC(=O)COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])c(OC)c1 ZINC000013053996 204479806 /nfs/dbraw/zinc/47/98/06/204479806.db2.gz QPXGPTOVCZYIOQ-UHFFFAOYSA-N -1 0 376.321 2.328 40 5 GEBBRM CCOc1ccccc1N(CC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225021866 206033801 /nfs/dbraw/zinc/03/38/01/206033801.db2.gz ZQTGPQFFKMVCMU-UHFFFAOYSA-N -1 0 380.378 2.273 40 5 GEBBRM CCOc1cccc(N(CC(=O)[O-])S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000225037829 206034570 /nfs/dbraw/zinc/03/45/70/206034570.db2.gz YGGKYOQRIFJCPX-UHFFFAOYSA-N -1 0 380.378 2.273 40 5 GEBBRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000225675149 206066375 /nfs/dbraw/zinc/06/63/75/206066375.db2.gz IJFAVDMNUFUSEU-UHFFFAOYSA-N -1 0 395.418 2.318 40 5 GEBBRM Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408962107 231136081 /nfs/dbraw/zinc/13/60/81/231136081.db2.gz GQZKKIPIFGEDRJ-ZSOIEALJSA-N -1 0 396.359 2.140 40 5 GEBBRM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)c(Cl)cc21 ZINC000223349281 570224482 /nfs/dbraw/zinc/22/44/82/570224482.db2.gz ZGZCQVOEMPDTMR-UHFFFAOYSA-N -1 0 383.769 2.494 40 5 GEBBRM CS(=O)(=O)N(c1ccc(F)cc1)[C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000260677375 570678170 /nfs/dbraw/zinc/67/81/70/570678170.db2.gz AQTBXCPOPNNMCK-OAHLLOKOSA-N -1 0 382.369 2.196 40 5 GEBBRM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000224783077 570970767 /nfs/dbraw/zinc/97/07/67/570970767.db2.gz BBFVGFHTMFHWBI-UHFFFAOYSA-N -1 0 395.349 2.091 40 5 GEBBRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000223310926 571005649 /nfs/dbraw/zinc/00/56/49/571005649.db2.gz FXBMQSVMIHTTGX-UHFFFAOYSA-N -1 0 377.422 2.383 40 5 GEBBRM O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2[O-])C1=O)N1CCCCC1 ZINC000106765944 231019375 /nfs/dbraw/zinc/01/93/75/231019375.db2.gz FPRVLRUQYMXIHQ-ZROIWOOFSA-N -1 0 391.405 2.349 40 5 GEBBRM O=C([O-])c1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1O ZINC000020142694 207180600 /nfs/dbraw/zinc/18/06/00/207180600.db2.gz XDLRZIZPLRGMOU-UHFFFAOYSA-N -1 0 387.348 2.088 40 5 GEBBRM COCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000408621910 570387532 /nfs/dbraw/zinc/38/75/32/570387532.db2.gz QCTDHYPZOWLVLC-UHFFFAOYSA-N -1 0 393.421 2.162 40 5 GEBBRM O=C([O-])c1ccc(NC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006615250 570504127 /nfs/dbraw/zinc/50/41/27/570504127.db2.gz HDXYJEIHJKWZJQ-UHFFFAOYSA-N -1 0 375.362 2.185 40 5 GEBBRM CCOc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000224598774 208930533 /nfs/dbraw/zinc/93/05/33/208930533.db2.gz BXOFPDXSMNZGJK-UHFFFAOYSA-N -1 0 380.378 2.273 40 5 GEBBRM O=C([O-])[C@H]1COC2(CCCCC2)N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000071979694 570306719 /nfs/dbraw/zinc/30/67/19/570306719.db2.gz HBBAUWHXYHMSQI-CYBMUJFWSA-N -1 0 379.325 2.089 40 5 GEBBRM Cc1c(NC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)cccc1C(=O)[O-] ZINC000006571297 570480044 /nfs/dbraw/zinc/48/00/44/570480044.db2.gz KODIGWWFSARXTN-UHFFFAOYSA-N -1 0 389.389 2.493 40 5 GEBBRM O=C([O-])c1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000017079593 570926569 /nfs/dbraw/zinc/92/65/69/570926569.db2.gz SKFLCENCPOUUPY-UHFFFAOYSA-N -1 0 390.333 2.328 40 5 GEBBRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2c[nH]c3ccc(Br)cc23)[nH]1 ZINC000006495545 531526624 /nfs/dbraw/zinc/52/66/24/531526624.db2.gz YYJXJENOPRTDCZ-HNQUOIGGSA-N -1 0 377.154 2.386 40 5 GEBBRM O=C([O-])CNc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2ccccc2)n1 ZINC000329057294 206241996 /nfs/dbraw/zinc/24/19/96/206241996.db2.gz VXFJBNYMQRPZDC-UHFFFAOYSA-N -1 0 383.339 2.275 40 5 GEBBRM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000408622246 533351518 /nfs/dbraw/zinc/35/15/18/533351518.db2.gz OUSXWLMLISKOEP-UHFFFAOYSA-N -1 0 375.362 2.428 40 5 GEBBRM O=C([O-])c1ccc(NC(=S)NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000006615810 570504096 /nfs/dbraw/zinc/50/40/96/570504096.db2.gz PVKXLKNWHKSOBR-UHFFFAOYSA-N -1 0 375.362 2.185 40 5 GEBBRM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000224786045 570970912 /nfs/dbraw/zinc/97/09/12/570970912.db2.gz KLKYZDCTUVHNOK-UHFFFAOYSA-N -1 0 386.332 2.461 40 5 GEBBRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc([N+](=O)[O-])c2C)cc1 ZINC000224865615 570993133 /nfs/dbraw/zinc/99/31/33/570993133.db2.gz BSVMXJFQJLGBCD-UHFFFAOYSA-N -1 0 380.378 2.192 40 5 GEBBRM Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O ZINC000408965315 231137044 /nfs/dbraw/zinc/13/70/44/231137044.db2.gz VPMMWQPZQUWRPU-ZSOIEALJSA-N -1 0 396.359 2.140 40 5 GEBBRM Cc1cc(C(=O)[O-])c(C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1[N+](=O)[O-] ZINC000001093985 206352672 /nfs/dbraw/zinc/35/26/72/206352672.db2.gz HZNJXKULMKCUPW-OLZOCXBDSA-N -1 0 397.387 2.023 40 5 GEBBRM CC1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000071979829 207967525 /nfs/dbraw/zinc/96/75/25/207967525.db2.gz STZKAEAGLUQQDP-DPBGWIHLSA-N -1 0 393.352 2.335 40 5 GEBBRM CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)c1[O-] ZINC000409102671 570411294 /nfs/dbraw/zinc/41/12/94/570411294.db2.gz VUKJYRIWXXHJKI-UGZWPXFQSA-N -1 0 396.377 2.297 40 5 GEBBRM O=C([O-])CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O ZINC000408597319 231073304 /nfs/dbraw/zinc/07/33/04/231073304.db2.gz UXAZKFPXLWEQLP-CXUHLZMHSA-N -1 0 397.343 2.151 40 5 GEBBRM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)c(Cl)cc21 ZINC000223347792 570224520 /nfs/dbraw/zinc/22/45/20/570224520.db2.gz RHTWMZBVDPWNBS-UHFFFAOYSA-N -1 0 383.769 2.494 40 5 GEBBRM CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2[O-])C1=O ZINC000409008940 570694100 /nfs/dbraw/zinc/69/41/00/570694100.db2.gz AMXSXINOUZNSMF-UGZWPXFQSA-N -1 0 396.377 2.297 40 5 GEBBRM CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2[O-])C1=O ZINC000409008939 570694227 /nfs/dbraw/zinc/69/42/27/570694227.db2.gz AMXSXINOUZNSMF-OPYOOOJUSA-N -1 0 396.377 2.297 40 5 GEBBRM O=C([O-])CN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O ZINC000408590388 231070148 /nfs/dbraw/zinc/07/01/48/231070148.db2.gz GNBSQSXDJJRYQT-WUXMJOGZSA-N -1 0 391.723 2.486 40 5 GEBBRM COCCCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C1=O ZINC000409239946 231185169 /nfs/dbraw/zinc/18/51/69/231185169.db2.gz OUGJSVMWWAMCTF-IZZDOVSWSA-N -1 0 383.338 2.281 40 5 GEBBRM O=C([O-])c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000017079592 570926523 /nfs/dbraw/zinc/92/65/23/570926523.db2.gz KENWSQNFGBUVSX-UHFFFAOYSA-N -1 0 390.333 2.328 40 5 GEBBRM O=C([O-])CNc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(C(F)(F)F)n1 ZINC000329062810 231047830 /nfs/dbraw/zinc/04/78/30/231047830.db2.gz WZCADWFPKMWYGT-UHFFFAOYSA-N -1 0 391.693 2.141 40 5 GEBBRM O=C([O-])c1nn(-c2ccc([N+](=O)[O-])cc2F)cc1I ZINC000408717691 231104907 /nfs/dbraw/zinc/10/49/07/231104907.db2.gz OLEKWKFJROAALU-UHFFFAOYSA-N -1 0 377.069 2.222 40 5 GEBBRM O=C([O-])c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1O ZINC000020142692 210320024 /nfs/dbraw/zinc/32/00/24/210320024.db2.gz PFFDIIVZSSDKEZ-UHFFFAOYSA-N -1 0 387.348 2.088 40 5 GEBBRM CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000005457580 570328784 /nfs/dbraw/zinc/32/87/84/570328784.db2.gz NYDFVUOGOFWVFR-OALUTQOASA-N -1 0 396.403 2.163 40 5 GEBBRM Cc1c(NC(=S)NC(=O)COc2ccccc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC000006571299 570480053 /nfs/dbraw/zinc/48/00/53/570480053.db2.gz XJQHGFFOPSUYRN-UHFFFAOYSA-N -1 0 389.389 2.493 40 5 GEBBRM CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000005632951 570676880 /nfs/dbraw/zinc/67/68/80/570676880.db2.gz ZWXJSFXAANGUIP-HOTGVXAUSA-N -1 0 393.440 2.355 40 5 GEBBRM O=C([O-])CN1C(=O)N/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000408592141 231071053 /nfs/dbraw/zinc/07/10/53/231071053.db2.gz LENHGMVZJKBQGK-OQLLNIDSSA-N -1 0 397.343 2.151 40 5 GEBBRM O=C([O-])CN1C(=O)N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O ZINC000408597226 231072704 /nfs/dbraw/zinc/07/27/04/231072704.db2.gz UGKRBCZSKRZWBA-WUXMJOGZSA-N -1 0 391.723 2.486 40 5 GEBBRM CNC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000223653077 570322962 /nfs/dbraw/zinc/32/29/62/570322962.db2.gz WBPNEPRWMFMFDA-UHFFFAOYSA-N -1 0 379.394 2.072 40 5 GEBBRM COc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])n2)c1 ZINC000223761033 570325913 /nfs/dbraw/zinc/32/59/13/570325913.db2.gz ZWOMKWMRMNLWHL-UHFFFAOYSA-N -1 0 390.377 2.132 40 5 GEBBRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000007323171 570829150 /nfs/dbraw/zinc/82/91/50/570829150.db2.gz XZYFODHCVADLPS-UHFFFAOYSA-N -1 0 391.405 2.313 40 5 GEBBRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000223208398 570977644 /nfs/dbraw/zinc/97/76/44/570977644.db2.gz GJKPDXHUVSOALC-UHFFFAOYSA-N -1 0 385.427 2.150 40 5 GEBBRM O=C([O-])c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000020142889 210320105 /nfs/dbraw/zinc/32/01/05/210320105.db2.gz FBOHVCZQBSKYLW-UHFFFAOYSA-N -1 0 385.376 2.060 40 5 GEBBRM COc1cccc(OC)c1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000036000643 570559515 /nfs/dbraw/zinc/55/95/15/570559515.db2.gz RQALZTOFHBIZEI-UHFFFAOYSA-N -1 0 377.378 2.444 40 5 GEBBRM CCc1c(C)nc(SCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[nH]c1=O ZINC000022134093 570796868 /nfs/dbraw/zinc/79/68/68/570796868.db2.gz AKBQJOLPHXDXRM-UHFFFAOYSA-N -1 0 392.393 2.390 40 5 GEBBRM O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1 ZINC000104057557 570894866 /nfs/dbraw/zinc/89/48/66/570894866.db2.gz YOBKLCVPVLVYDY-UHFFFAOYSA-N -1 0 378.209 2.256 40 5 GEBBRM O=C(CN1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O)N1CCCCC1 ZINC000106765957 231019397 /nfs/dbraw/zinc/01/93/97/231019397.db2.gz GTAXNXADNCAHGG-ZROIWOOFSA-N -1 0 391.405 2.349 40 5 GEBBRM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000014256259 210113968 /nfs/dbraw/zinc/11/39/68/210113968.db2.gz HYYUWHRGBDIVIA-UHFFFAOYSA-N -1 0 396.377 2.199 40 5 GEBBRM COC(=O)CCC(=O)C=C([O-])C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000102964330 211419722 /nfs/dbraw/zinc/41/97/22/211419722.db2.gz VYLYAUWPJSPYTL-UHFFFAOYSA-N -1 0 391.163 2.322 40 5 GEBBRM O=C([O-])Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000020142891 210319903 /nfs/dbraw/zinc/31/99/03/210319903.db2.gz PDRDQWFMJJEQBI-UHFFFAOYSA-N -1 0 385.376 2.311 40 5 GEBBRM CC(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000005633053 570676935 /nfs/dbraw/zinc/67/69/35/570676935.db2.gz ZWXJSFXAANGUIP-CVEARBPZSA-N -1 0 393.440 2.355 40 5 GEBBRM O=C([O-])CN1C(=O)N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O ZINC000408595437 231072923 /nfs/dbraw/zinc/07/29/23/231072923.db2.gz WVLVTJPFDAPHHJ-IZZDOVSWSA-N -1 0 391.723 2.486 40 5 GEBBRM O=C1N/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C(=O)N1Cc1ccccc1 ZINC000409248008 231187714 /nfs/dbraw/zinc/18/77/14/231187714.db2.gz JKEWKPJDTWRKNW-NTUHNPAUSA-N -1 0 384.304 2.302 40 5 GEBBRM COc1cc(Br)cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1O ZINC000006380657 531525014 /nfs/dbraw/zinc/52/50/14/531525014.db2.gz POYOLFYNKSNCIS-NSCUHMNNSA-N -1 0 384.142 2.443 40 5 GEBBRM CCC(=O)Nc1nnc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000224583385 570500790 /nfs/dbraw/zinc/50/07/90/570500790.db2.gz WZFIXBHEPOXBKA-UHFFFAOYSA-N -1 0 391.818 2.249 40 5 GEBBRM COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000205725656 570966622 /nfs/dbraw/zinc/96/66/22/570966622.db2.gz DYMJMJGPIWUHNI-WUXMJOGZSA-N -1 0 396.377 2.297 40 5 GEBBRM O=C([O-])CN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O ZINC000408589656 231070062 /nfs/dbraw/zinc/07/00/62/231070062.db2.gz FGYSOWMYZNSNHB-CXUHLZMHSA-N -1 0 397.343 2.151 40 5 GEBBRM COc1ccc(NC(=O)COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c(OC)c1 ZINC000013187761 210054176 /nfs/dbraw/zinc/05/41/76/210054176.db2.gz IDKGVOVXHZIVSS-UHFFFAOYSA-N -1 0 376.321 2.328 40 5 GEBBRM O=C([O-])CNc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2ccccc2)n1 ZINC000329050623 209160081 /nfs/dbraw/zinc/16/00/81/209160081.db2.gz UTXVIMMFYJFRHR-UHFFFAOYSA-N -1 0 379.376 2.004 40 5 GEBBRM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000223761125 570325906 /nfs/dbraw/zinc/32/59/06/570325906.db2.gz DFZHWANXOOIILZ-UHFFFAOYSA-N -1 0 390.377 2.132 40 5 GEBBRM COc1ccc(S(=O)(=O)[O-])cc1NC(=O)CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001703111 209336498 /nfs/dbraw/zinc/33/64/98/209336498.db2.gz GYMDXZVEVWMFOG-UHFFFAOYSA-N -1 0 394.361 2.062 40 5 GEBBRM COc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000408627816 533319115 /nfs/dbraw/zinc/31/91/15/533319115.db2.gz NZKPBGURGYYMON-UHFFFAOYSA-N -1 0 377.378 2.444 40 5 GEBBRM CNC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000223644614 570322653 /nfs/dbraw/zinc/32/26/53/570322653.db2.gz VOSRBNVETIQXPI-UHFFFAOYSA-N -1 0 379.394 2.072 40 5 GEBBRM O=C(CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2[O-])C1=O)N1CCCCC1 ZINC000106769952 231019279 /nfs/dbraw/zinc/01/92/79/231019279.db2.gz IBKHOQYEWYREEU-LCYFTJDESA-N -1 0 391.405 2.349 40 5 GEBBRM O=C([O-])CNc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)n1 ZINC000328977825 212090178 /nfs/dbraw/zinc/09/01/78/212090178.db2.gz FWGCXOYLNBBWTH-UHFFFAOYSA-N -1 0 379.376 2.004 40 5 GEBBRM COc1cc(OC)cc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000408628013 533064765 /nfs/dbraw/zinc/06/47/65/533064765.db2.gz PLCYLTLWRDJUBY-UHFFFAOYSA-N -1 0 377.378 2.444 40 5 GEBBRM CCOC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O ZINC000035183046 570247288 /nfs/dbraw/zinc/24/72/88/570247288.db2.gz KEPZUYAUCQKFPB-HNNXBMFYSA-N -1 0 384.344 2.071 40 5 GEBBRM COC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000223644801 570322786 /nfs/dbraw/zinc/32/27/86/570322786.db2.gz WZLIFSZIBMRNKL-UHFFFAOYSA-N -1 0 380.378 2.499 40 5 GEBBRM O=C([O-])c1cccc(NC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000006615180 570504216 /nfs/dbraw/zinc/50/42/16/570504216.db2.gz BDURZIBIWXHXRF-UHFFFAOYSA-N -1 0 375.362 2.185 40 5 GEBBRM COc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c1[O-] ZINC000205757480 570969481 /nfs/dbraw/zinc/96/94/81/570969481.db2.gz JJNUOGMYUHNMMV-LFYBBSHMSA-N -1 0 396.377 2.297 40 5 GEBBRM Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cccc([N+](=O)[O-])c3[O-])C2=O)c1 ZINC000409102011 231160733 /nfs/dbraw/zinc/16/07/33/231160733.db2.gz CGSLLBFBZKYXDT-NTEUORMPSA-N -1 0 396.359 2.140 40 5 GEBBRM Cc1nnc(SC(=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)[O-])[nH]1 ZINC000409189245 534523098 /nfs/dbraw/zinc/52/30/98/534523098.db2.gz NUBCCQDEDHQDRY-ZROIWOOFSA-N -1 0 391.409 2.076 40 5 GEBBRM CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000005457707 570328677 /nfs/dbraw/zinc/32/86/77/570328677.db2.gz NYDFVUOGOFWVFR-RBUKOAKNSA-N -1 0 396.403 2.163 40 5 GEBBRM Cc1ccc([N+](=O)[O-])cc1N(CC(=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224756006 570962564 /nfs/dbraw/zinc/96/25/64/570962564.db2.gz ZFOUYJFUUQMMHG-UHFFFAOYSA-N -1 0 395.349 2.091 40 5 GEBBRM Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc([N+](=O)[O-])ccc3[O-])C2=O)c1 ZINC000409098668 231160198 /nfs/dbraw/zinc/16/01/98/231160198.db2.gz OQQZYKQAAGIUOW-OQLLNIDSSA-N -1 0 396.359 2.140 40 5 GEBBRM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000014256256 221307820 /nfs/dbraw/zinc/30/78/20/221307820.db2.gz BFDNHERPMQRTPI-UHFFFAOYSA-N -1 0 396.377 2.199 40 5 GEBBRM O=C1N/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000408964381 534782031 /nfs/dbraw/zinc/78/20/31/534782031.db2.gz RFDGPSRJAFPBAN-QPEQYQDCSA-N -1 0 384.304 2.302 40 5 GEBBRM CCOc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000225022168 528478441 /nfs/dbraw/zinc/47/84/41/528478441.db2.gz AYSIETOLVWEHSJ-UHFFFAOYSA-N -1 0 380.378 2.273 40 5 GEBBRM COc1ccc(C)cc1N(CC(=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224750272 570961156 /nfs/dbraw/zinc/96/11/56/570961156.db2.gz SZWIIOLJXALWGE-UHFFFAOYSA-N -1 0 380.378 2.192 40 5 GEBBRM O=C([O-])Cc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000020142690 221474515 /nfs/dbraw/zinc/47/45/15/221474515.db2.gz DMDHMVODDGUQBB-UHFFFAOYSA-N -1 0 385.376 2.311 40 5 GEBBRM CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000005633089 570677019 /nfs/dbraw/zinc/67/70/19/570677019.db2.gz ZWXJSFXAANGUIP-HZPDHXFCSA-N -1 0 393.440 2.355 40 5 GEBBRM O=C(CN1C(=O)S/C(=C\c2cc([O-])ccc2[N+](=O)[O-])C1=O)N1CCCCC1 ZINC000409376567 231197293 /nfs/dbraw/zinc/19/72/93/231197293.db2.gz ZNXHMHQXLLZZEB-ZROIWOOFSA-N -1 0 391.405 2.349 40 5 GEBBRM O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000409412592 231202598 /nfs/dbraw/zinc/20/25/98/231202598.db2.gz UKNHHALAPYSGBX-UHFFFAOYSA-N -1 0 377.740 2.318 40 5 GEBBRM COC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000223653217 570323062 /nfs/dbraw/zinc/32/30/62/570323062.db2.gz UFFKBZYTMDMRRR-UHFFFAOYSA-N -1 0 380.378 2.499 40 5 GEBBRM Cn1ncc(Cl)c1C(=O)NC(=S)Nc1cc([N+](=O)[O-])cc(Cl)c1[O-] ZINC000004839046 570633706 /nfs/dbraw/zinc/63/37/06/570633706.db2.gz CFOLYGCCPITHGH-UHFFFAOYSA-N -1 0 390.208 2.468 40 5 GEBBRM CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)c1[O-] ZINC000409102670 570698881 /nfs/dbraw/zinc/69/88/81/570698881.db2.gz VUKJYRIWXXHJKI-OPYOOOJUSA-N -1 0 396.377 2.297 40 5 GEBBRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1C ZINC000224651290 570939223 /nfs/dbraw/zinc/93/92/23/570939223.db2.gz RUZAHWJQCJOEIN-UHFFFAOYSA-N -1 0 380.378 2.192 40 5 GEBBRM O=C([O-])CN1C(=O)N/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000408589687 231070388 /nfs/dbraw/zinc/07/03/88/231070388.db2.gz FMLHGNHYSHOWMU-OQLLNIDSSA-N -1 0 397.343 2.151 40 5 GEBBRM COc1ccc(Nc2cc(-c3ccccc3)nc(NCC(=O)[O-])n2)c([N+](=O)[O-])c1 ZINC000329014738 212093674 /nfs/dbraw/zinc/09/36/74/212093674.db2.gz MWYQZJOIVAQBDX-UHFFFAOYSA-N -1 0 395.375 2.144 40 5 GEBBRM CCOc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000113885740 222520961 /nfs/dbraw/zinc/52/09/61/222520961.db2.gz SFIPVLWFYNNOBL-UHFFFAOYSA-N -1 0 380.378 2.273 40 5 GEBBRM CCOC(=O)[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O ZINC000035183045 570247283 /nfs/dbraw/zinc/24/72/83/570247283.db2.gz KEPZUYAUCQKFPB-OAHLLOKOSA-N -1 0 384.344 2.071 40 5 GEBBRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1ccc(F)cc1F ZINC000225085321 570547930 /nfs/dbraw/zinc/54/79/30/570547930.db2.gz IHHPHKQICNEJLU-UHFFFAOYSA-N -1 0 386.332 2.461 40 5 GEBBRM Cc1nnc(S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)[O-])o1 ZINC000408632152 231090506 /nfs/dbraw/zinc/09/05/06/231090506.db2.gz NYYXYMNFFMCFFZ-ZROIWOOFSA-N -1 0 392.393 2.341 40 5 GEBBRM O=C([O-])c1ccc(CNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000013091794 221260117 /nfs/dbraw/zinc/26/01/17/221260117.db2.gz HXRYKNYWFLECKM-UHFFFAOYSA-N -1 0 385.376 2.060 40 5 GEBBRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000016099638 221357784 /nfs/dbraw/zinc/35/77/84/221357784.db2.gz DUPSBXJKXIHUET-UHFFFAOYSA-N -1 0 395.393 2.371 40 5 GEBBRM COc1cccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000224769711 570966343 /nfs/dbraw/zinc/96/63/43/570966343.db2.gz CNNHVUBPZIZDQM-UHFFFAOYSA-N -1 0 380.378 2.192 40 5 GEBBRM O=C([O-])CNc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2ccccc2)n1 ZINC000329007582 212091943 /nfs/dbraw/zinc/09/19/43/212091943.db2.gz LLHALLBUGBOFAH-UHFFFAOYSA-N -1 0 383.339 2.275 40 5 GEBBRM O=C([O-])[C@@H]1COC2(CCCCC2)N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000071979693 222202525 /nfs/dbraw/zinc/20/25/25/222202525.db2.gz HBBAUWHXYHMSQI-ZDUSSCGKSA-N -1 0 379.325 2.089 40 5 GEBBRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000224865228 570535074 /nfs/dbraw/zinc/53/50/74/570535074.db2.gz XHHWRDBSXCXHPH-UHFFFAOYSA-N -1 0 380.378 2.192 40 5 GEBBRM CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000005632982 570677079 /nfs/dbraw/zinc/67/70/79/570677079.db2.gz ZWXJSFXAANGUIP-JKSUJKDBSA-N -1 0 393.440 2.355 40 5 GEBBRM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000224782281 570970930 /nfs/dbraw/zinc/97/09/30/570970930.db2.gz KUGMYJZAKNSXQC-UHFFFAOYSA-N -1 0 386.332 2.461 40 5 GEBBRM