smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1Cl ZINC000790635459 1078070834 /nfs/dbraw/zinc/07/08/34/1078070834.db2.gz IZJWIMVIJVMRDH-UHFFFAOYSA-N -1 3 400.800 2.699 20 5 HFBDHM O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000791712562 1077535862 /nfs/dbraw/zinc/53/58/62/1077535862.db2.gz FBMRWOJYRAJGAV-OAHLLOKOSA-N -1 3 415.358 2.557 20 5 HFBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)[N-]n1cnc2ccccc2c1=O ZINC000790139497 1077954844 /nfs/dbraw/zinc/95/48/44/1077954844.db2.gz MUDBYWUHFHVISG-UHFFFAOYSA-N -1 3 403.192 2.760 20 5 HFBDHM Cc1ncc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790852239 1078149750 /nfs/dbraw/zinc/14/97/50/1078149750.db2.gz SBROQHLMJQMDKW-AWEZNQCLSA-N -1 3 421.435 2.574 20 5 HFBDHM COc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790879404 1078169127 /nfs/dbraw/zinc/16/91/27/1078169127.db2.gz ZQQGOKZWGHWCNL-LLVKDONJSA-N -1 3 410.408 2.563 20 5 HFBDHM O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cnn[n-]1 ZINC000805609759 1079174060 /nfs/dbraw/zinc/17/40/60/1079174060.db2.gz VCVNKLIAONDODC-OAHLLOKOSA-N -1 3 401.766 2.903 20 5 HFBDHM O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1c[n-]nn1 ZINC000805609759 1079174062 /nfs/dbraw/zinc/17/40/62/1079174062.db2.gz VCVNKLIAONDODC-OAHLLOKOSA-N -1 3 401.766 2.903 20 5 HFBDHM CC(C)(O)CO[N-]C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000788223770 1077082718 /nfs/dbraw/zinc/08/27/18/1077082718.db2.gz PYUJIIZUCWHDJA-UHFFFAOYSA-N -1 3 410.430 2.809 20 5 HFBDHM Cc1cc(C)c(N2CC[C@H]([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)C2=O)c(C)c1 ZINC000788948944 1077358690 /nfs/dbraw/zinc/35/86/90/1077358690.db2.gz MFGXAZIRTZZRRO-INIZCTEOSA-N -1 3 421.450 2.743 20 5 HFBDHM O=C([N-][C@H]1CCN(Cc2ccc(F)cc2)C1=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000791788181 1077570097 /nfs/dbraw/zinc/57/00/97/1077570097.db2.gz SMEKIFDIUPNRHP-INIZCTEOSA-N -1 3 407.348 2.743 20 5 HFBDHM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(Cl)n1 ZINC000790401965 1078026308 /nfs/dbraw/zinc/02/63/08/1078026308.db2.gz BCOJPDAQCXBAIP-UHFFFAOYSA-N -1 3 416.799 2.978 20 5 HFBDHM CCCOc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cn1 ZINC000790845873 1078146552 /nfs/dbraw/zinc/14/65/52/1078146552.db2.gz KEZMXPUTNWJLEJ-UHFFFAOYSA-N -1 3 424.435 2.782 20 5 HFBDHM CCOC(=O)c1nnc(-c2cccc(CNc3nc4ccccn4c3[N+](=O)[O-])c2)[n-]1 ZINC000788570186 1077208995 /nfs/dbraw/zinc/20/89/95/1077208995.db2.gz ARHVKLMPRKOXGG-UHFFFAOYSA-N -1 3 407.390 2.816 20 5 HFBDHM CCOC(=O)c1nc(-c2cccc(CNc3nc4ccccn4c3[N+](=O)[O-])c2)n[n-]1 ZINC000788570186 1077208997 /nfs/dbraw/zinc/20/89/97/1077208997.db2.gz ARHVKLMPRKOXGG-UHFFFAOYSA-N -1 3 407.390 2.816 20 5 HFBDHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)c(C)c1Cl ZINC000788600631 1077219573 /nfs/dbraw/zinc/21/95/73/1077219573.db2.gz YCNJIQVZRMHVCK-UHFFFAOYSA-N -1 3 404.853 2.883 20 5 HFBDHM Cc1cc(C)c(N2CC[C@H]([N-]S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 ZINC000788950012 1077359546 /nfs/dbraw/zinc/35/95/46/1077359546.db2.gz KITKDEMRQYKFHU-SFHVURJKSA-N -1 3 417.487 2.745 20 5 HFBDHM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1nnc2ccccn21 ZINC000791420505 1077395381 /nfs/dbraw/zinc/39/53/81/1077395381.db2.gz ONJOTSJSQGMTIV-QMMMGPOBSA-N -1 3 416.246 2.984 20 5 HFBDHM COc1cc(C(=O)[N-]n2cnc3sc4c(c3c2=O)CCCC4)cc([N+](=O)[O-])c1C ZINC000790232512 1077981803 /nfs/dbraw/zinc/98/18/03/1077981803.db2.gz FJACMUHNPDTZAD-UHFFFAOYSA-N -1 3 414.443 2.946 20 5 HFBDHM O=C([O-])[C@]1(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCN(Cc2ccccc2)C1 ZINC001123267470 939816966 /nfs/dbraw/zinc/81/69/66/939816966.db2.gz HTFAFLWQGGIIIZ-QFIPXVFZSA-N -1 3 422.441 2.925 20 5 HFBDHM Cc1ccn2cc(C[N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)nc2c1 ZINC000790836620 1078161779 /nfs/dbraw/zinc/16/17/79/1078161779.db2.gz VMSOUFADVGCGSE-UHFFFAOYSA-N -1 3 419.419 2.554 20 5 HFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000805121366 1078912539 /nfs/dbraw/zinc/91/25/39/1078912539.db2.gz OWAUARVWTKWBRN-ZDUSSCGKSA-N -1 3 408.329 2.765 20 5 HFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CSCCS2)c(C(F)(F)F)c1 ZINC000746673186 1076746107 /nfs/dbraw/zinc/74/61/07/1076746107.db2.gz XCFBFPMMAOADAS-SECBINFHSA-N -1 3 402.441 2.741 20 5 HFBDHM O=C(COC(=O)CCCc1ccc([O-])c(F)c1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000787842868 1076960939 /nfs/dbraw/zinc/96/09/39/1076960939.db2.gz DJBMMGZIOJIEHX-UHFFFAOYSA-N -1 3 420.349 2.673 20 5 HFBDHM O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000791712560 1077535940 /nfs/dbraw/zinc/53/59/40/1077535940.db2.gz FBMRWOJYRAJGAV-HNNXBMFYSA-N -1 3 415.358 2.557 20 5 HFBDHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)s1 ZINC000790048149 1077928900 /nfs/dbraw/zinc/92/89/00/1077928900.db2.gz MIWVYGLRQVKNBE-ZETCQYMHSA-N -1 3 421.298 2.865 20 5 HFBDHM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001263627407 939828247 /nfs/dbraw/zinc/82/82/47/939828247.db2.gz JLYIZPBETSKSIE-FQTAANOTSA-N -1 3 409.442 2.844 20 5 HFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@](O)(c2ccccc2)C(F)(F)F)c1[N+](=O)[O-] ZINC000790847753 1078147401 /nfs/dbraw/zinc/14/74/01/1078147401.db2.gz DMALIFIYKANDQK-INIZCTEOSA-N -1 3 418.393 2.940 20 5 HFBDHM CC(=O)Nc1ccccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790853322 1078150340 /nfs/dbraw/zinc/15/03/40/1078150340.db2.gz NCQNQSZZYIYLTR-UHFFFAOYSA-N -1 3 422.419 2.557 20 5 HFBDHM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c1 ZINC000794044263 1078365070 /nfs/dbraw/zinc/36/50/70/1078365070.db2.gz YZKZQZJRDZVZNX-UHFFFAOYSA-N -1 3 414.823 2.982 20 5 HFBDHM Cc1ncc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)s1 ZINC000746674509 1076746613 /nfs/dbraw/zinc/74/66/13/1076746613.db2.gz MKVJFKBRBRYGKX-UHFFFAOYSA-N -1 3 406.283 2.643 20 5 HFBDHM CCc1ccc(C(=O)[N-]N2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000746678294 1076789842 /nfs/dbraw/zinc/78/98/42/1076789842.db2.gz OOJQSVWGTAQPDS-NRFANRHFSA-N -1 3 410.430 2.745 20 5 HFBDHM COC(=O)c1sc(S(=O)(=O)[N-]CCc2ccc([N+](=O)[O-])cc2)c(C)c1Cl ZINC000788600137 1077219190 /nfs/dbraw/zinc/21/91/90/1077219190.db2.gz GOIRZGZKLRXWNJ-UHFFFAOYSA-N -1 3 418.880 2.926 20 5 HFBDHM CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(OCC)c2)c1C ZINC000790924496 1077233484 /nfs/dbraw/zinc/23/34/84/1077233484.db2.gz CKTVDLKVFGPCGB-UHFFFAOYSA-N -1 3 412.420 2.883 20 5 HFBDHM CCCCc1nc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c(C(=O)OCC)[n-]1 ZINC000792556839 1077902458 /nfs/dbraw/zinc/90/24/58/1077902458.db2.gz ZASAKDVNWCVPAD-UHFFFAOYSA-N -1 3 414.422 2.826 20 5 HFBDHM COC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H](OC)C1 ZINC001130631664 1079713816 /nfs/dbraw/zinc/71/38/16/1079713816.db2.gz VSVJCGJRUOERSM-NILFDRSVSA-N -1 3 400.378 2.550 20 5 HFBDHM Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2CN(C)C)c(C)c1[N+](=O)[O-] ZINC000790633722 1078070026 /nfs/dbraw/zinc/07/00/26/1078070026.db2.gz FTUBCIUDMJQCCN-UHFFFAOYSA-N -1 3 408.436 2.982 20 5 HFBDHM COc1cc(C)cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000790866444 1078163527 /nfs/dbraw/zinc/16/35/27/1078163527.db2.gz FHQOBQIDUQQAIT-UHFFFAOYSA-N -1 3 409.420 2.915 20 5 HFBDHM Nc1ccc([N+](=O)[O-])c(NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000804789869 1078648505 /nfs/dbraw/zinc/64/85/05/1078648505.db2.gz TVDBSWVRONWGMO-UHFFFAOYSA-N -1 3 405.263 2.874 20 5 HFBDHM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cc1 ZINC000788216923 1077081226 /nfs/dbraw/zinc/08/12/26/1077081226.db2.gz PRFBALOGFGOAMZ-UHFFFAOYSA-N -1 3 404.853 2.843 20 5 HFBDHM COC(=O)c1sc(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])c(C)c1Cl ZINC000788635386 1077239300 /nfs/dbraw/zinc/23/93/00/1077239300.db2.gz CWNMFHYWRRNEQG-UHFFFAOYSA-N -1 3 418.880 2.926 20 5 HFBDHM CCC[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)OCC ZINC000788708477 1077266174 /nfs/dbraw/zinc/26/61/74/1077266174.db2.gz CPNVLTORZNHZRA-SNVBAGLBSA-N -1 3 423.285 2.615 20 5 HFBDHM CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000746973572 1077293077 /nfs/dbraw/zinc/29/30/77/1077293077.db2.gz TUXIOYQITUVSJG-UHFFFAOYSA-N -1 3 412.395 2.861 20 5 HFBDHM CC(C)(C)OC(=O)N[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000790447833 1078034708 /nfs/dbraw/zinc/03/47/08/1078034708.db2.gz JJVAIVMEBQXNDL-PHIMTYICSA-N -1 3 405.860 2.582 20 5 HFBDHM COCc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 ZINC000790829223 1078158967 /nfs/dbraw/zinc/15/89/67/1078158967.db2.gz UWEHKGYSCXDYPZ-UHFFFAOYSA-N -1 3 409.420 2.745 20 5 HFBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCc3cnn(C)n3)c([N+](=O)[O-])c2)c(C)c1 ZINC000804851072 1078720873 /nfs/dbraw/zinc/72/08/73/1078720873.db2.gz HNRUVJAWCJDMEQ-UHFFFAOYSA-N -1 3 416.463 2.753 20 5 HFBDHM Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(CN3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000805883856 1079336842 /nfs/dbraw/zinc/33/68/42/1079336842.db2.gz MDLXGFVCAAUJSS-UHFFFAOYSA-N -1 3 403.460 2.618 20 5 HFBDHM CCCCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)OC ZINC000746671102 1076743155 /nfs/dbraw/zinc/74/31/55/1076743155.db2.gz LJOQEANDTUZLGQ-LBPRGKRZSA-N -1 3 423.285 2.758 20 5 HFBDHM COc1c(C)cnc(Cn2cnc([N-]C(=O)c3cc([N+](=O)[O-])cc(C)c3F)n2)c1C ZINC000791044412 1077281667 /nfs/dbraw/zinc/28/16/67/1077281667.db2.gz KNRMZQQJPGLAAL-UHFFFAOYSA-N -1 3 414.397 2.955 20 5 HFBDHM COc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(C)c1 ZINC000790863294 1078180476 /nfs/dbraw/zinc/18/04/76/1078180476.db2.gz PPCJIXFLDUMFOU-UHFFFAOYSA-N -1 3 409.420 2.915 20 5 HFBDHM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129613412 1078591745 /nfs/dbraw/zinc/59/17/45/1078591745.db2.gz RQRKOKLVHVKRHZ-QMMMGPOBSA-N -1 3 406.761 2.973 20 5 HFBDHM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129613412 1078591748 /nfs/dbraw/zinc/59/17/48/1078591748.db2.gz RQRKOKLVHVKRHZ-QMMMGPOBSA-N -1 3 406.761 2.973 20 5 HFBDHM COc1ccc(OC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1[N+](=O)[O-] ZINC000792588994 1077923571 /nfs/dbraw/zinc/92/35/71/1077923571.db2.gz MZTTWPOIERVSRH-UHFFFAOYSA-N -1 3 412.395 2.648 20 5 HFBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)[N-]N1C(=O)c2ccccc2C1=O ZINC000790089080 1077945584 /nfs/dbraw/zinc/94/55/84/1077945584.db2.gz GNSHNDATMHVGMH-UHFFFAOYSA-N -1 3 404.176 2.607 20 5 HFBDHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C=Cc3ccc([N+](=O)[O-])cc3)c2)[n-]1 ZINC000790157014 1077961458 /nfs/dbraw/zinc/96/14/58/1077961458.db2.gz DEUUXLBDBHHYAC-DHZHZOJOSA-N -1 3 421.413 2.886 20 5 HFBDHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C=Cc3ccc([N+](=O)[O-])cc3)c2)n[n-]1 ZINC000790157014 1077961459 /nfs/dbraw/zinc/96/14/59/1077961459.db2.gz DEUUXLBDBHHYAC-DHZHZOJOSA-N -1 3 421.413 2.886 20 5 HFBDHM O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)OC1CCCCC1 ZINC000746673969 1076748160 /nfs/dbraw/zinc/74/81/60/1076748160.db2.gz ZQEWLVTZQRWZDX-UHFFFAOYSA-N -1 3 410.370 2.768 20 5 HFBDHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3cc([N+](=O)[O-])ccc3F)c2)[n-]1 ZINC000791026591 1077274948 /nfs/dbraw/zinc/27/49/48/1077274948.db2.gz DXBHNFDYSKPSIU-UHFFFAOYSA-N -1 3 413.365 2.626 20 5 HFBDHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3cc([N+](=O)[O-])ccc3F)c2)n[n-]1 ZINC000791026591 1077274954 /nfs/dbraw/zinc/27/49/54/1077274954.db2.gz DXBHNFDYSKPSIU-UHFFFAOYSA-N -1 3 413.365 2.626 20 5 HFBDHM Cc1cc(C)c(N2CC[C@@H]([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)C2=O)c(C)c1 ZINC000788948945 1077358794 /nfs/dbraw/zinc/35/87/94/1077358794.db2.gz MFGXAZIRTZZRRO-MRXNPFEDSA-N -1 3 421.450 2.743 20 5 HFBDHM Cc1cc(C)c(N2CC[C@@H]([N-]S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 ZINC000788950008 1077359465 /nfs/dbraw/zinc/35/94/65/1077359465.db2.gz KITKDEMRQYKFHU-GOSISDBHSA-N -1 3 417.487 2.745 20 5 HFBDHM Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc3c2CCN(C)C3)c(C)c1[N+](=O)[O-] ZINC000790391883 1078013300 /nfs/dbraw/zinc/01/33/00/1078013300.db2.gz OIYJXEBWGRAKHH-UHFFFAOYSA-N -1 3 420.447 2.909 20 5 HFBDHM O=C(COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N-]C(=O)c1cccs1 ZINC000747124653 1078186211 /nfs/dbraw/zinc/18/62/11/1078186211.db2.gz PPGKTELCGSTXLG-UHFFFAOYSA-N -1 3 402.306 2.789 20 5 HFBDHM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000794028355 1078369170 /nfs/dbraw/zinc/36/91/70/1078369170.db2.gz HQVZERQYYFZGFK-UHFFFAOYSA-N -1 3 414.823 2.982 20 5 HFBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787842700 1076961233 /nfs/dbraw/zinc/96/12/33/1076961233.db2.gz AFPSLUMKUUZIFW-UHFFFAOYSA-N -1 3 406.366 2.953 20 5 HFBDHM COc1nc(C)cc(C)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790840848 1078143463 /nfs/dbraw/zinc/14/34/63/1078143463.db2.gz ZSVVRLHOUYXSLG-UHFFFAOYSA-N -1 3 424.435 2.619 20 5 HFBDHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790874121 1078167947 /nfs/dbraw/zinc/16/79/47/1078167947.db2.gz MVITYKQUHBYCCJ-UHFFFAOYSA-N -1 3 413.383 2.746 20 5 HFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000805121365 1078912571 /nfs/dbraw/zinc/91/25/71/1078912571.db2.gz OWAUARVWTKWBRN-CYBMUJFWSA-N -1 3 408.329 2.765 20 5 HFBDHM O=C(CCCc1ccc([O-])c(F)c1)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000787845122 1076962090 /nfs/dbraw/zinc/96/20/90/1076962090.db2.gz MOBCRFZZAYKVJB-UHFFFAOYSA-N -1 3 402.378 2.895 20 5 HFBDHM CCOC(=O)c1oc2ccc(S(=O)(=O)NN=c3[n-]cccc3[N+](=O)[O-])cc2c1C ZINC000788751500 1077276191 /nfs/dbraw/zinc/27/61/91/1077276191.db2.gz ZNQWISJCHZQIEJ-UHFFFAOYSA-N -1 3 420.403 2.527 20 5 HFBDHM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1nnc2ccccn21 ZINC000791420504 1077395446 /nfs/dbraw/zinc/39/54/46/1077395446.db2.gz ONJOTSJSQGMTIV-MRVPVSSYSA-N -1 3 416.246 2.984 20 5 HFBDHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3c(C)c([N+](=O)[O-])ccc3F)cc2CC1 ZINC000789737137 1077771721 /nfs/dbraw/zinc/77/17/21/1077771721.db2.gz CAJXFBVWBWGRPJ-UHFFFAOYSA-N -1 3 421.450 2.790 20 5 HFBDHM COc1ccc(NC(=O)COC(=O)CCCc2ccc([O-])c(F)c2)c([N+](=O)[O-])c1 ZINC000787846420 1076962631 /nfs/dbraw/zinc/96/26/31/1076962631.db2.gz WTVSSHWASOABBL-UHFFFAOYSA-N -1 3 406.366 2.953 20 5 HFBDHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2F)ccc1F ZINC000746956768 1077256626 /nfs/dbraw/zinc/25/66/26/1077256626.db2.gz GVXLDRYCGKCNBN-UHFFFAOYSA-N -1 3 414.386 2.917 20 5 HFBDHM O=C(OCc1ccc([N+](=O)[O-])cc1F)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000746957782 1077265274 /nfs/dbraw/zinc/26/52/74/1077265274.db2.gz SJJFINKLRRVSHP-UHFFFAOYSA-N -1 3 412.370 2.671 20 5 HFBDHM Cc1cc(C)c(N2CC[C@@H]([N-]S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000788949108 1077358700 /nfs/dbraw/zinc/35/87/00/1077358700.db2.gz NPDKTOKHSGDGBX-GOSISDBHSA-N -1 3 417.487 2.745 20 5 HFBDHM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000790267846 1077991118 /nfs/dbraw/zinc/99/11/18/1077991118.db2.gz LWWWYOLGEBBEII-UHFFFAOYSA-N -1 3 419.821 2.703 20 5 HFBDHM COc1ccc(-c2ccc(CN[C@H](Cn3cc(Cl)cn3)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC001321114528 1126171521 /nfs/dbraw/zinc/17/15/21/1126171521.db2.gz VGHLZHHNHNUVDB-OAHLLOKOSA-N -1 3 420.809 2.956 20 5 HFBDHM CCOC(=O)c1cccc([N+](=O)[O-])c1[N-][C@@H](COCc1ccccc1)C(=O)OC ZINC001170142185 1078090593 /nfs/dbraw/zinc/09/05/93/1078090593.db2.gz RHAMZFNXHACUGE-INIZCTEOSA-N -1 3 402.403 2.942 20 5 HFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@](O)(c2ccccc2)C(F)(F)F)c1[N+](=O)[O-] ZINC000790847754 1078147367 /nfs/dbraw/zinc/14/73/67/1078147367.db2.gz DMALIFIYKANDQK-MRXNPFEDSA-N -1 3 418.393 2.940 20 5 HFBDHM COCc1ccccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790828399 1078158768 /nfs/dbraw/zinc/15/87/68/1078158768.db2.gz OEAHUEGUDRUQEY-UHFFFAOYSA-N -1 3 409.420 2.745 20 5 HFBDHM COc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)ccc1C ZINC000790834998 1078161579 /nfs/dbraw/zinc/16/15/79/1078161579.db2.gz FULYCKIETVZGGE-UHFFFAOYSA-N -1 3 409.420 2.915 20 5 HFBDHM O=C(C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000804401547 1078466204 /nfs/dbraw/zinc/46/62/04/1078466204.db2.gz XTUHUKHRROXNCN-UHFFFAOYSA-N -1 3 419.825 2.917 20 5 HFBDHM COCCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(F)(F)F)no2)cc1OC ZINC001130341163 1079212783 /nfs/dbraw/zinc/21/27/83/1079212783.db2.gz DNAJLBFDNFTSHQ-UHFFFAOYSA-N -1 3 405.285 2.888 20 5 HFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805927149 1079358812 /nfs/dbraw/zinc/35/88/12/1079358812.db2.gz KPYDQDVBRDJPJB-UHFFFAOYSA-N -1 3 417.487 2.620 20 5 HFBDHM CCOC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000746673020 1076746401 /nfs/dbraw/zinc/74/64/01/1076746401.db2.gz TXFXBDNOTIHZTB-GFCCVEGCSA-N -1 3 410.370 2.624 20 5 HFBDHM COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[N-][C@H]1CCN(Cc2ccccc2)C1=O ZINC000746720466 1077016322 /nfs/dbraw/zinc/01/63/22/1077016322.db2.gz UTLLHRGMLKPZKL-HNNXBMFYSA-N -1 3 414.374 2.503 20 5 HFBDHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)s1 ZINC000790048147 1077928941 /nfs/dbraw/zinc/92/89/41/1077928941.db2.gz MIWVYGLRQVKNBE-SSDOTTSWSA-N -1 3 421.298 2.865 20 5 HFBDHM COc1c(C)cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1C ZINC000790838599 1078141064 /nfs/dbraw/zinc/14/10/64/1078141064.db2.gz PQBATKKTYGZEEI-UHFFFAOYSA-N -1 3 424.435 2.619 20 5 HFBDHM CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 ZINC000790824360 1078156944 /nfs/dbraw/zinc/15/69/44/1078156944.db2.gz WEJYNLSNNFVGQS-UHFFFAOYSA-N -1 3 422.419 2.557 20 5 HFBDHM Cc1noc(C)c1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000746671822 1076744303 /nfs/dbraw/zinc/74/43/03/1076744303.db2.gz PBWPCUOVDQYJDZ-UHFFFAOYSA-N -1 3 418.269 2.873 20 5 HFBDHM CCc1ccc(C(=O)[N-]N2C(=O)N[C@](C)(CCc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000746678296 1076789861 /nfs/dbraw/zinc/78/98/61/1076789861.db2.gz OOJQSVWGTAQPDS-OAQYLSRUSA-N -1 3 410.430 2.745 20 5 HFBDHM O=c1[nH]cc(Br)cc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000790401842 1078026394 /nfs/dbraw/zinc/02/63/94/1078026394.db2.gz BYAUFNGAVIYJSO-UHFFFAOYSA-N -1 3 408.617 2.912 20 5 HFBDHM COC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H](OC)C1 ZINC001130631662 1079713709 /nfs/dbraw/zinc/71/37/09/1079713709.db2.gz VSVJCGJRUOERSM-BYCMXARLSA-N -1 3 400.378 2.550 20 5 HFBDHM COC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H](OC)C1 ZINC001130631663 1079713869 /nfs/dbraw/zinc/71/38/69/1079713869.db2.gz VSVJCGJRUOERSM-KCPJHIHWSA-N -1 3 400.378 2.550 20 5 HFBDHM COc1ccc(-c2ccc(CN[C@@H](Cn3cc(Cl)cn3)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC001321114527 1126171458 /nfs/dbraw/zinc/17/14/58/1126171458.db2.gz VGHLZHHNHNUVDB-HNNXBMFYSA-N -1 3 420.809 2.956 20 5 HFBDHM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001263627409 939828322 /nfs/dbraw/zinc/82/83/22/939828322.db2.gz JLYIZPBETSKSIE-RUCTVCJSSA-N -1 3 409.442 2.844 20 5 HFBDHM CC(=O)c1cc([N+](=O)[O-])ccc1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000804566493 1078601060 /nfs/dbraw/zinc/60/10/60/1078601060.db2.gz SDHBQWYARNJYFD-UHFFFAOYSA-N -1 3 403.869 2.903 20 5 HFBDHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001129727505 1078677644 /nfs/dbraw/zinc/67/76/44/1078677644.db2.gz GDAJGPYKAIPEGC-UHFFFAOYSA-N -1 3 407.159 2.929 20 5 HFBDHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001129727505 1078677647 /nfs/dbraw/zinc/67/76/47/1078677647.db2.gz GDAJGPYKAIPEGC-UHFFFAOYSA-N -1 3 407.159 2.929 20 5 HFBDHM O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cnn[n-]1 ZINC000805608485 1079168415 /nfs/dbraw/zinc/16/84/15/1079168415.db2.gz DJOOVMBTPUJAGJ-OAHLLOKOSA-N -1 3 401.766 2.903 20 5 HFBDHM O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1c[n-]nn1 ZINC000805608485 1079168419 /nfs/dbraw/zinc/16/84/19/1079168419.db2.gz DJOOVMBTPUJAGJ-OAHLLOKOSA-N -1 3 401.766 2.903 20 5 HFBDHM Cc1cccc([C@@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000746671481 1076742624 /nfs/dbraw/zinc/74/26/24/1076742624.db2.gz YYFIIGNCYMJWSP-AWEZNQCLSA-N -1 3 415.265 2.678 20 5 HFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC2(CO)CC3(CCC3)C2)c1 ZINC000788688942 1077251477 /nfs/dbraw/zinc/25/14/77/1077251477.db2.gz QJTSZAZUQVTNAU-UHFFFAOYSA-N -1 3 419.297 2.578 20 5 HFBDHM Cn1ncc2c1CCC[C@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791420486 1077395348 /nfs/dbraw/zinc/39/53/48/1077395348.db2.gz NRVRZQCDPXYVCN-LLVKDONJSA-N -1 3 405.263 2.991 20 5 HFBDHM Cn1ncc2c1CCC[C@@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791420489 1077395436 /nfs/dbraw/zinc/39/54/36/1077395436.db2.gz NRVRZQCDPXYVCN-NSHDSACASA-N -1 3 405.263 2.991 20 5 HFBDHM COC(=O)c1cc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c(C)c([N+](=O)[O-])c1 ZINC000792625750 1077946091 /nfs/dbraw/zinc/94/60/91/1077946091.db2.gz GRSNCUZUUNWUAE-UHFFFAOYSA-N -1 3 417.330 2.622 20 5 HFBDHM Cc1ccc2[nH]c(C[N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)nc2c1 ZINC000790850327 1078148272 /nfs/dbraw/zinc/14/82/72/1078148272.db2.gz IPCVUJLJLYXBHY-UHFFFAOYSA-N -1 3 419.419 2.783 20 5 HFBDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)[nH]c2c1 ZINC000790850327 1078148274 /nfs/dbraw/zinc/14/82/74/1078148274.db2.gz IPCVUJLJLYXBHY-UHFFFAOYSA-N -1 3 419.419 2.783 20 5 HFBDHM COc1cc(F)cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000790867162 1078164347 /nfs/dbraw/zinc/16/43/47/1078164347.db2.gz QZQHGLHABGZVBF-UHFFFAOYSA-N -1 3 413.383 2.746 20 5 HFBDHM CC1(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)CCN(Cc2ccccc2)CC1 ZINC000805880760 1079319734 /nfs/dbraw/zinc/31/97/34/1079319734.db2.gz QNTWUCQAOPJQOS-UHFFFAOYSA-N -1 3 423.516 2.764 20 5 HFBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000747282810 1079354229 /nfs/dbraw/zinc/35/42/29/1079354229.db2.gz CENWSCDGGSKIJM-CQSZACIVSA-N -1 3 401.847 2.969 20 5 HFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)OC1CCCC1 ZINC000746673084 1076745697 /nfs/dbraw/zinc/74/56/97/1076745697.db2.gz UQIUOXAWBUNORA-VIFPVBQESA-N -1 3 421.269 2.510 20 5 HFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)OC1CCCC1 ZINC000746673918 1076747512 /nfs/dbraw/zinc/74/75/12/1076747512.db2.gz YPLJXSBGEVLQMZ-VIFPVBQESA-N -1 3 410.370 2.766 20 5 HFBDHM COc1ccccc1-c1nc([N-]C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)n[nH]1 ZINC000791210452 1077345295 /nfs/dbraw/zinc/34/52/95/1077345295.db2.gz JKVOAJAYVKTXFB-UHFFFAOYSA-N -1 3 400.370 2.846 20 5 HFBDHM CCOC1CC(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000788918074 1077354719 /nfs/dbraw/zinc/35/47/19/1077354719.db2.gz SRNMIOLXCNZSIX-UHFFFAOYSA-N -1 3 407.286 2.841 20 5 HFBDHM CC(C)(C)OC(=O)N[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000790449066 1078034903 /nfs/dbraw/zinc/03/49/03/1078034903.db2.gz XARRZQPUFXAFNU-AOOOYVTPSA-N -1 3 405.860 2.582 20 5 HFBDHM CCOc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 ZINC000790836901 1078140485 /nfs/dbraw/zinc/14/04/85/1078140485.db2.gz SRJKKJVBEGYZQI-UHFFFAOYSA-N -1 3 409.420 2.997 20 5 HFBDHM Nc1ccc(NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000804789036 1078645273 /nfs/dbraw/zinc/64/52/73/1078645273.db2.gz ZKCPFGIYORDZEC-UHFFFAOYSA-N -1 3 405.263 2.874 20 5 HFBDHM CN(C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000805119482 1078902757 /nfs/dbraw/zinc/90/27/57/1078902757.db2.gz FTDMBDLANUURCD-AWEZNQCLSA-N -1 3 401.847 2.969 20 5 HFBDHM COc1cc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c([N+](=O)[O-])cc1OC(F)F ZINC001129758070 1078702013 /nfs/dbraw/zinc/70/20/13/1078702013.db2.gz OUSZGZFWQFSIEI-UHFFFAOYSA-N -1 3 410.333 2.832 20 5 HFBDHM Cc1cc(C)c(N2CC[C@H]([N-]S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000788949111 1077358720 /nfs/dbraw/zinc/35/87/20/1077358720.db2.gz NPDKTOKHSGDGBX-SFHVURJKSA-N -1 3 417.487 2.745 20 5 HFBDHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C=Cc3ccc([N+](=O)[O-])cc3)c2)[n-]1 ZINC000790157016 1077961383 /nfs/dbraw/zinc/96/13/83/1077961383.db2.gz DEUUXLBDBHHYAC-FLIBITNWSA-N -1 3 421.413 2.886 20 5 HFBDHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C=Cc3ccc([N+](=O)[O-])cc3)c2)n[n-]1 ZINC000790157016 1077961384 /nfs/dbraw/zinc/96/13/84/1077961384.db2.gz DEUUXLBDBHHYAC-FLIBITNWSA-N -1 3 421.413 2.886 20 5 HFBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H]3CCOC3=O)c([N+](=O)[O-])c2)c(C)c1 ZINC000807221639 1080383526 /nfs/dbraw/zinc/38/35/26/1080383526.db2.gz FCJJPRYQTCNBHK-INIZCTEOSA-N -1 3 405.432 2.740 20 5 HFBDHM CCOc1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000790826010 1078158069 /nfs/dbraw/zinc/15/80/69/1078158069.db2.gz FZAUUOMAVNKESW-UHFFFAOYSA-N -1 3 409.420 2.997 20 5 HFBDHM O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cnn[n-]1 ZINC000805608483 1079168507 /nfs/dbraw/zinc/16/85/07/1079168507.db2.gz DJOOVMBTPUJAGJ-HNNXBMFYSA-N -1 3 401.766 2.903 20 5 HFBDHM O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1c[n-]nn1 ZINC000805608483 1079168512 /nfs/dbraw/zinc/16/85/12/1079168512.db2.gz DJOOVMBTPUJAGJ-HNNXBMFYSA-N -1 3 401.766 2.903 20 5 HFBDHM C[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805788040 1079255532 /nfs/dbraw/zinc/25/55/32/1079255532.db2.gz GIBPQLBDRDQJNS-MKBNYLNASA-N -1 3 416.400 2.701 20 5 HFBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000747282809 1079354252 /nfs/dbraw/zinc/35/42/52/1079354252.db2.gz CENWSCDGGSKIJM-AWEZNQCLSA-N -1 3 401.847 2.969 20 5 HFBDHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])c(C)c1Cl ZINC000788597839 1077218283 /nfs/dbraw/zinc/21/82/83/1077218283.db2.gz BENAWWAPECGMAL-UHFFFAOYSA-N -1 3 404.853 2.883 20 5 HFBDHM CCS(=O)(=O)c1ccc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)s1 ZINC000791819587 1077566502 /nfs/dbraw/zinc/56/65/02/1077566502.db2.gz YVMCBMQMWHHLET-UHFFFAOYSA-N -1 3 404.416 2.858 20 5 HFBDHM O=C([O-])[C@@]1(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCN(Cc2ccccc2)C1 ZINC001123267469 939816838 /nfs/dbraw/zinc/81/68/38/939816838.db2.gz HTFAFLWQGGIIIZ-JOCHJYFZSA-N -1 3 422.441 2.925 20 5 HFBDHM COc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(F)c1 ZINC000790856278 1078151860 /nfs/dbraw/zinc/15/18/60/1078151860.db2.gz IQSGPTXFFZVKHH-UHFFFAOYSA-N -1 3 413.383 2.746 20 5 HFBDHM CCOC(=O)c1cc([N-]C(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc(S(C)(=O)=O)c1 ZINC000790829071 1078158943 /nfs/dbraw/zinc/15/89/43/1078158943.db2.gz FWXVICSWZSJAOG-UHFFFAOYSA-N -1 3 424.406 2.875 20 5 HFBDHM COc1ccc(C)cc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790829216 1078158977 /nfs/dbraw/zinc/15/89/77/1078158977.db2.gz UODHSRZXGMDURI-UHFFFAOYSA-N -1 3 409.420 2.915 20 5 HFBDHM COc1cnccc1[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790879423 1078169108 /nfs/dbraw/zinc/16/91/08/1078169108.db2.gz ZQQGOKZWGHWCNL-NSHDSACASA-N -1 3 410.408 2.563 20 5 HFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1F)CCNC2=O ZINC000790073176 1077922388 /nfs/dbraw/zinc/92/23/88/1077922388.db2.gz FHVNEXCUVWALIE-UHFFFAOYSA-N -1 3 413.814 2.782 20 5 HFBDHM CC1(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCN(Cc2ccccc2)CC1 ZINC000805842055 1079320459 /nfs/dbraw/zinc/32/04/59/1079320459.db2.gz RRDPXYMSGBLUTB-UHFFFAOYSA-N -1 3 417.487 2.702 20 5 HFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CSCCS2)c(C(F)(F)F)c1 ZINC000746673188 1076746044 /nfs/dbraw/zinc/74/60/44/1076746044.db2.gz XCFBFPMMAOADAS-VIFPVBQESA-N -1 3 402.441 2.741 20 5 HFBDHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(C)C ZINC000746673060 1076746337 /nfs/dbraw/zinc/74/63/37/1076746337.db2.gz WHYFKYBFNIXHLA-GFCCVEGCSA-N -1 3 423.285 2.613 20 5 HFBDHM CCC[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)OCC ZINC000788708476 1077266639 /nfs/dbraw/zinc/26/66/39/1077266639.db2.gz CPNVLTORZNHZRA-JTQLQIEISA-N -1 3 423.285 2.615 20 5 HFBDHM CC(C)Cc1nsc([N-]C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)n1 ZINC001130643670 1079766505 /nfs/dbraw/zinc/76/65/05/1079766505.db2.gz OBSVRRVLYXIFJI-UHFFFAOYSA-N -1 3 403.420 2.551 20 5 HFBDHM Cc1ncc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790852240 1078149727 /nfs/dbraw/zinc/14/97/27/1078149727.db2.gz SBROQHLMJQMDKW-CQSZACIVSA-N -1 3 421.435 2.574 20 5 HFBDHM COc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1F ZINC000790826771 1078158777 /nfs/dbraw/zinc/15/87/77/1078158777.db2.gz CACNGIFARIHJAM-UHFFFAOYSA-N -1 3 413.383 2.746 20 5 HFBDHM CCOc1ccccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790836242 1078162111 /nfs/dbraw/zinc/16/21/11/1078162111.db2.gz NPJGHEJHMFTBRV-UHFFFAOYSA-N -1 3 409.420 2.997 20 5 HFBDHM Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C(=O)NCC(F)(F)F)cc1F ZINC000794001148 1078359655 /nfs/dbraw/zinc/35/96/55/1078359655.db2.gz SLDUVNBEFSEAND-UHFFFAOYSA-N -1 3 416.287 2.687 20 5 HFBDHM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000794027837 1078369165 /nfs/dbraw/zinc/36/91/65/1078369165.db2.gz WMKWOEGQBLIAFQ-UHFFFAOYSA-N -1 3 412.395 2.858 20 5 HFBDHM CN(C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000805119483 1078903172 /nfs/dbraw/zinc/90/31/72/1078903172.db2.gz FTDMBDLANUURCD-CQSZACIVSA-N -1 3 401.847 2.969 20 5 HFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]Cc2nccc(C(F)F)n2)c1 ZINC000805150196 1078946912 /nfs/dbraw/zinc/94/69/12/1078946912.db2.gz JLGREQOZCXIBLC-UHFFFAOYSA-N -1 3 423.195 2.563 20 5 HFBDHM COc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2Br)cc1[N+](=O)[O-] ZINC000789736259 1077743194 /nfs/dbraw/zinc/74/31/94/1077743194.db2.gz WXSWZQAMPBDWNV-UHFFFAOYSA-N -1 3 402.226 2.870 20 5 HFBDHM COc1ccc([C@@H](CN(C)C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000790482672 1078041641 /nfs/dbraw/zinc/04/16/41/1078041641.db2.gz OIACKASKADFAFP-OAHLLOKOSA-N -1 3 413.883 2.838 20 5 HFBDHM CCCCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)OC ZINC000746671098 1076743228 /nfs/dbraw/zinc/74/32/28/1076743228.db2.gz LJOQEANDTUZLGQ-GFCCVEGCSA-N -1 3 423.285 2.758 20 5 HFBDHM CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000746673028 1076746386 /nfs/dbraw/zinc/74/63/86/1076746386.db2.gz TXFXBDNOTIHZTB-LBPRGKRZSA-N -1 3 410.370 2.624 20 5 HFBDHM C[C@](O)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCCCC1 ZINC000790909217 1077245121 /nfs/dbraw/zinc/24/51/21/1077245121.db2.gz NXVWRTAMDNIZJS-HNNXBMFYSA-N -1 3 421.313 2.967 20 5 HFBDHM O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000790535490 1078053257 /nfs/dbraw/zinc/05/32/57/1078053257.db2.gz JTWZUDCHIJYNMO-UHFFFAOYSA-N -1 3 421.812 2.620 20 5 HFBDHM CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000790825779 1078158120 /nfs/dbraw/zinc/15/81/20/1078158120.db2.gz CAPNUYDOBVCANF-UHFFFAOYSA-N -1 3 422.419 2.557 20 5 HFBDHM O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000804691600 1078530751 /nfs/dbraw/zinc/53/07/51/1078530751.db2.gz ZSKRPMZTLQEWGG-UHFFFAOYSA-N -1 3 418.790 2.686 20 5 HFBDHM O=C(CCCc1ccc([O-])c(F)c1)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000787843877 1076961562 /nfs/dbraw/zinc/96/15/62/1076961562.db2.gz KXYOWXLZLLJSRO-UHFFFAOYSA-N -1 3 402.378 2.895 20 5 HFBDHM CC(C)(C)OC(=O)Cn1cnc([N-]C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC001130402907 1079303528 /nfs/dbraw/zinc/30/35/28/1079303528.db2.gz SISDJJMSEIVUIW-UHFFFAOYSA-N -1 3 415.328 2.799 20 5 HFBDHM Cc1cccc([C@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000746671483 1076742934 /nfs/dbraw/zinc/74/29/34/1076742934.db2.gz YYFIIGNCYMJWSP-CQSZACIVSA-N -1 3 415.265 2.678 20 5 HFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@@H](O)c2ccc(F)cc2)c1 ZINC000751183950 1077039197 /nfs/dbraw/zinc/03/91/97/1077039197.db2.gz PWGGJHPRQYUEOX-CYBMUJFWSA-N -1 3 419.228 2.508 20 5 HFBDHM COC(=O)c1cc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c(C)c([N+](=O)[O-])c1 ZINC000792630525 1077940668 /nfs/dbraw/zinc/94/06/68/1077940668.db2.gz BNJXWARNAGYOOP-UHFFFAOYSA-N -1 3 417.330 2.622 20 5 HFBDHM COc1ccc([C@H](CN(C)C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000790482671 1078041429 /nfs/dbraw/zinc/04/14/29/1078041429.db2.gz OIACKASKADFAFP-HNNXBMFYSA-N -1 3 413.883 2.838 20 5 HFBDHM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001263627410 939827896 /nfs/dbraw/zinc/82/78/96/939827896.db2.gz JLYIZPBETSKSIE-RYGYDFEPSA-N -1 3 409.442 2.844 20 5 HFBDHM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001263627408 939828210 /nfs/dbraw/zinc/82/82/10/939828210.db2.gz JLYIZPBETSKSIE-REBWPMHBSA-N -1 3 409.442 2.844 20 5 HFBDHM CCOC(=O)c1ncc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[n-]1 ZINC000793965611 1078348587 /nfs/dbraw/zinc/34/85/87/1078348587.db2.gz ZWEKCLNEJMPRCO-UHFFFAOYSA-N -1 3 401.148 2.649 20 5 HFBDHM CCOC(=O)c1nc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c[n-]1 ZINC000793965611 1078348592 /nfs/dbraw/zinc/34/85/92/1078348592.db2.gz ZWEKCLNEJMPRCO-UHFFFAOYSA-N -1 3 401.148 2.649 20 5 HFBDHM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c1 ZINC000794043106 1078364869 /nfs/dbraw/zinc/36/48/69/1078364869.db2.gz PJLYUTQOAHTWMD-UHFFFAOYSA-N -1 3 412.395 2.776 20 5 HFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805861317 1079308372 /nfs/dbraw/zinc/30/83/72/1079308372.db2.gz PNASFVMCRSSAKG-UHFFFAOYSA-N -1 3 417.487 2.620 20 5 HFBDHM COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[N-][C@@H]1CCN(Cc2ccccc2)C1=O ZINC000746720467 1077016254 /nfs/dbraw/zinc/01/62/54/1077016254.db2.gz UTLLHRGMLKPZKL-OAHLLOKOSA-N -1 3 414.374 2.503 20 5 HFBDHM CCOc1cc(N2CCN(C(=O)c3nnc4ccccc4c3[O-])CC2)ccc1[N+](=O)[O-] ZINC000794039334 1078363997 /nfs/dbraw/zinc/36/39/97/1078363997.db2.gz BOIREUVSNAOFNL-UHFFFAOYSA-N -1 3 423.429 2.605 20 5 HFBDHM O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OC1CCCCC1 ZINC000746671971 1076744550 /nfs/dbraw/zinc/74/45/50/1076744550.db2.gz NPHUTDKEPONWGB-UHFFFAOYSA-N -1 3 421.269 2.512 20 5 HFBDHM C[C@@](O)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCCCC1 ZINC000790909218 1077245044 /nfs/dbraw/zinc/24/50/44/1077245044.db2.gz NXVWRTAMDNIZJS-OAHLLOKOSA-N -1 3 421.313 2.967 20 5 HFBDHM COC(=O)c1sc(S(=O)(=O)[N-]CCc2cccc([N+](=O)[O-])c2)c(C)c1Cl ZINC000788659699 1077257177 /nfs/dbraw/zinc/25/71/77/1077257177.db2.gz IFCQHPDYZNEYJQ-UHFFFAOYSA-N -1 3 418.880 2.926 20 5 HFBDHM Cc1c(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cccc1[N+](=O)[O-] ZINC000791019738 1077273593 /nfs/dbraw/zinc/27/35/93/1077273593.db2.gz CFQSPGFFLBHTFZ-UHFFFAOYSA-N -1 3 409.439 2.659 20 5 HFBDHM COC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)cc1[N+](=O)[O-] ZINC000788916525 1077353336 /nfs/dbraw/zinc/35/33/36/1077353336.db2.gz LYQJBZJTTUJCGQ-UHFFFAOYSA-N -1 3 415.374 2.843 20 5 HFBDHM CN(C)c1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cn1 ZINC000791420708 1077395122 /nfs/dbraw/zinc/39/51/22/1077395122.db2.gz PZDFIUFVXVREJP-UHFFFAOYSA-N -1 3 405.263 2.841 20 5 HFBDHM CN(C)c1ncccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791422843 1077414677 /nfs/dbraw/zinc/41/46/77/1077414677.db2.gz JPTLQSBKGPLTOU-UHFFFAOYSA-N -1 3 405.263 2.841 20 5 HFBDHM O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000790527377 1078051292 /nfs/dbraw/zinc/05/12/92/1078051292.db2.gz CGKVSLIGSYVHRX-UHFFFAOYSA-N -1 3 421.812 2.620 20 5 HFBDHM COC(=O)c1c2c(sc1[N-]C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])COCC2 ZINC001129887067 1078557748 /nfs/dbraw/zinc/55/77/48/1078557748.db2.gz JBOSSJPCHUGFOE-UHFFFAOYSA-N -1 3 410.379 2.916 20 5 HFBDHM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129613411 1078591781 /nfs/dbraw/zinc/59/17/81/1078591781.db2.gz RQRKOKLVHVKRHZ-MRVPVSSYSA-N -1 3 406.761 2.973 20 5 HFBDHM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129613411 1078591787 /nfs/dbraw/zinc/59/17/87/1078591787.db2.gz RQRKOKLVHVKRHZ-MRVPVSSYSA-N -1 3 406.761 2.973 20 5 HFBDHM O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000804566801 1078603115 /nfs/dbraw/zinc/60/31/15/1078603115.db2.gz ZEBYCESXNWKLLA-UHFFFAOYSA-N -1 3 406.829 2.608 20 5 HFBDHM O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cnn[n-]1 ZINC000805609758 1079174193 /nfs/dbraw/zinc/17/41/93/1079174193.db2.gz VCVNKLIAONDODC-HNNXBMFYSA-N -1 3 401.766 2.903 20 5 HFBDHM O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1c[n-]nn1 ZINC000805609758 1079174197 /nfs/dbraw/zinc/17/41/97/1079174197.db2.gz VCVNKLIAONDODC-HNNXBMFYSA-N -1 3 401.766 2.903 20 5 HFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCOCc2ccccc2)c1 ZINC000747290189 1079390333 /nfs/dbraw/zinc/39/03/33/1079390333.db2.gz BGYXKCKNQICXQO-UHFFFAOYSA-N -1 3 415.265 2.852 20 5 HFBDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cc1OC ZINC000788216606 1077081467 /nfs/dbraw/zinc/08/14/67/1077081467.db2.gz LATHFQOWVNWJNG-UHFFFAOYSA-N -1 3 400.796 2.844 20 5 HFBDHM Cc1cc(Cl)c(S(=O)(=O)N=c2nc(-c3cccs3)[n-]n2C)cc1[N+](=O)[O-] ZINC000788555463 1077200257 /nfs/dbraw/zinc/20/02/57/1077200257.db2.gz ALXMTHUXLIKTQV-UHFFFAOYSA-N -1 3 413.868 2.636 20 5 HFBDHM O=C([N-][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000791788182 1077570048 /nfs/dbraw/zinc/57/00/48/1077570048.db2.gz SMEKIFDIUPNRHP-MRXNPFEDSA-N -1 3 407.348 2.743 20 5 HFBDHM COC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H](OC)C1 ZINC001130631665 1079713738 /nfs/dbraw/zinc/71/37/38/1079713738.db2.gz VSVJCGJRUOERSM-TUKIKUTGSA-N -1 3 400.378 2.550 20 5 HFBDHM COCc1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000790826411 1078157796 /nfs/dbraw/zinc/15/77/96/1078157796.db2.gz JYVZJRXDZDTPTO-UHFFFAOYSA-N -1 3 409.420 2.745 20 5 HFBDHM CSc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)ccn1 ZINC000790864675 1078163116 /nfs/dbraw/zinc/16/31/16/1078163116.db2.gz CPMZRWNEURGROX-UHFFFAOYSA-N -1 3 412.449 2.715 20 5 HFBDHM Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(CN3CCCC3)c2)cc([N+](=O)[O-])c1C ZINC000805843460 1079320788 /nfs/dbraw/zinc/32/07/88/1079320788.db2.gz LNXCUPTWLGFOLR-UHFFFAOYSA-N -1 3 417.487 2.926 20 5 HFBDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)cn2c1 ZINC000790836500 1078162091 /nfs/dbraw/zinc/16/20/91/1078162091.db2.gz RPTQQZHNKLAPOE-UHFFFAOYSA-N -1 3 419.419 2.554 20 5 HFBDHM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(CN2CCCC2)c1 ZINC000805842175 1079320320 /nfs/dbraw/zinc/32/03/20/1079320320.db2.gz YPKPIQZZVYQYLA-UHFFFAOYSA-N -1 3 423.878 2.963 20 5 HFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC1(C)OCCO1 ZINC000746671059 1076743139 /nfs/dbraw/zinc/74/31/39/1076743139.db2.gz VGRUBPNJQVNFQC-JTQLQIEISA-N -1 3 412.386 2.681 20 5 HFBDHM COc1cc(C)ccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790857285 1078152566 /nfs/dbraw/zinc/15/25/66/1078152566.db2.gz NGBYDGRNINRDQO-UHFFFAOYSA-N -1 3 409.420 2.915 20 5 HFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC1(C)OCCO1 ZINC000746671061 1076743107 /nfs/dbraw/zinc/74/31/07/1076743107.db2.gz VGRUBPNJQVNFQC-SNVBAGLBSA-N -1 3 412.386 2.681 20 5 HFBDHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)c(C)c1Cl ZINC000788606177 1077221338 /nfs/dbraw/zinc/22/13/38/1077221338.db2.gz DTBJGUHDNGERCC-UHFFFAOYSA-N -1 3 404.853 2.883 20 5 HFBDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000791123448 1077293768 /nfs/dbraw/zinc/29/37/68/1077293768.db2.gz NPBCCLGNOMCPAN-UHFFFAOYSA-N -1 3 401.803 2.940 20 5 HFBDHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3cc(F)ccc3[N+](=O)[O-])c2)[n-]1 ZINC000790156935 1077960908 /nfs/dbraw/zinc/96/09/08/1077960908.db2.gz BJKFKUIDJNZXIR-UHFFFAOYSA-N -1 3 413.365 2.626 20 5 HFBDHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3cc(F)ccc3[N+](=O)[O-])c2)n[n-]1 ZINC000790156935 1077960909 /nfs/dbraw/zinc/96/09/09/1077960909.db2.gz BJKFKUIDJNZXIR-UHFFFAOYSA-N -1 3 413.365 2.626 20 5 HFBDHM