smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(F)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1C(=O)[O-] ZINC000769620403 737547165 /nfs/dbraw/zinc/54/71/65/737547165.db2.gz BLLWKDQXFVACGK-UHFFFAOYSA-N -2 0 368.342 2.850 20 5 FFBDRL Cc1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(C(=O)[O-])cc1C ZINC000794609262 739910467 /nfs/dbraw/zinc/91/04/67/739910467.db2.gz QEMHVHAOZYSBIK-UHFFFAOYSA-N -2 0 368.342 2.850 20 5 FFBDRL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc([O-])c1[N+](=O)[O-] ZINC000798176898 740309726 /nfs/dbraw/zinc/30/97/26/740309726.db2.gz BIZUCPYJWBDXOT-UHFFFAOYSA-N -2 0 353.674 2.820 20 5 FFBDRL CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC001597578651 988375263 /nfs/dbraw/zinc/37/52/63/988375263.db2.gz IUHSJOKNGKPPHE-UHFFFAOYSA-N -2 0 368.342 2.795 20 5 FFBDRL O=C([O-])c1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000776443627 1005754778 /nfs/dbraw/zinc/75/47/78/1005754778.db2.gz FBVNGQVAWKNOJN-UHFFFAOYSA-N -2 0 373.346 2.642 20 5 FFBDRL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ncsc1C(C)C ZINC000288369418 257180410 /nfs/dbraw/zinc/18/04/10/257180410.db2.gz YJHBKZIXRKYGGR-UHFFFAOYSA-N -2 0 357.413 2.990 20 5 FFBDRL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000158909584 508767631 /nfs/dbraw/zinc/76/76/31/508767631.db2.gz LSKPAQINSRTESR-UHFFFAOYSA-N -2 0 359.363 2.958 20 5 FFBDRL Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cccc1C(=O)[O-] ZINC000324800990 511839904 /nfs/dbraw/zinc/83/99/04/511839904.db2.gz PGQCAIMFATVLMJ-UHFFFAOYSA-N -2 0 354.315 2.541 20 5 FFBDRL Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1C(=O)[O-] ZINC000324874902 511841650 /nfs/dbraw/zinc/84/16/50/511841650.db2.gz CNCIIFSEFFRCBL-UHFFFAOYSA-N -2 0 354.315 2.541 20 5 FFBDRL Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1F ZINC000324996838 511843748 /nfs/dbraw/zinc/84/37/48/511843748.db2.gz XPDFRPUQROBWIM-UHFFFAOYSA-N -2 0 354.315 2.541 20 5 FFBDRL Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000327875672 511881855 /nfs/dbraw/zinc/88/18/55/511881855.db2.gz BFAYXFNAANRKCP-UHFFFAOYSA-N -2 0 368.342 2.850 20 5 FFBDRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000328192363 511885434 /nfs/dbraw/zinc/88/54/34/511885434.db2.gz ZMUBDTUCDQOCDW-LLVKDONJSA-N -2 0 364.379 2.974 20 5 FFBDRL COc1c(F)cc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1F ZINC000508249788 514721285 /nfs/dbraw/zinc/72/12/85/514721285.db2.gz SSTGZHNQEKQBDH-UHFFFAOYSA-N -2 0 374.321 2.696 20 5 FFBDRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000499180907 515228342 /nfs/dbraw/zinc/22/83/42/515228342.db2.gz SEQRRFUZHIZHSI-UHFFFAOYSA-N -2 0 370.358 2.947 20 5 FFBDRL Cc1ccccc1CS(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000547915068 516632155 /nfs/dbraw/zinc/63/21/55/516632155.db2.gz VIQBMJAHPTUXCZ-UHFFFAOYSA-N -2 0 350.352 2.543 20 5 FFBDRL Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1[N+](=O)[O-] ZINC000519505796 517018437 /nfs/dbraw/zinc/01/84/37/517018437.db2.gz GECGVGGUODGRCY-UHFFFAOYSA-N -2 0 368.342 2.850 20 5 FFBDRL Cc1c(F)cccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000548525975 517036326 /nfs/dbraw/zinc/03/63/26/517036326.db2.gz SVEQHBNUGVGMPM-UHFFFAOYSA-N -2 0 354.315 2.541 20 5 FFBDRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc3cnccc32)cc([N+](=O)[O-])c1 ZINC000564858814 518659034 /nfs/dbraw/zinc/65/90/34/518659034.db2.gz IXRYZUSNKVSKBS-UHFFFAOYSA-N -2 0 373.346 2.642 20 5 FFBDRL CC(C)c1scnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000572036278 519411507 /nfs/dbraw/zinc/41/15/07/519411507.db2.gz QDIDOYIHCWYNHA-UHFFFAOYSA-N -2 0 371.396 2.674 20 5 FFBDRL Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccccc1CC(=O)[O-] ZINC000818853236 597486000 /nfs/dbraw/zinc/48/60/00/597486000.db2.gz UIJZQUSZWHPHBC-UHFFFAOYSA-N -2 0 364.379 2.640 20 5 FFBDRL O=C([O-])N1CCC(CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000833988301 605369720 /nfs/dbraw/zinc/36/97/20/605369720.db2.gz QUWOTKWMXCJVIQ-UHFFFAOYSA-N -2 0 357.750 2.672 20 5 FFBDRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000762443583 736823823 /nfs/dbraw/zinc/82/38/23/736823823.db2.gz JNFPTXUQZOHHEV-UHFFFAOYSA-N -2 0 370.770 2.676 20 5 FFBDRL Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc(C(=O)[O-])c1 ZINC000795365394 740010840 /nfs/dbraw/zinc/01/08/40/740010840.db2.gz KMJHNVYEECXYHQ-UHFFFAOYSA-N -2 0 368.342 2.850 20 5 FFBDRL CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001597578399 988372591 /nfs/dbraw/zinc/37/25/91/988372591.db2.gz CIEPHAMLDFHTKW-UHFFFAOYSA-N -2 0 364.379 2.965 20 5 FFBDRL CCc1c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnn1CC(C)C ZINC000160410035 508982512 /nfs/dbraw/zinc/98/25/12/508982512.db2.gz BRAZYLBIXKIUDE-UHFFFAOYSA-N -2 0 368.415 2.516 20 5 FFBDRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000323308467 511830358 /nfs/dbraw/zinc/83/03/58/511830358.db2.gz DZNAXWUDDDWYGP-UHFFFAOYSA-N -2 0 356.743 2.747 20 5 FFBDRL Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC000326543585 511860027 /nfs/dbraw/zinc/86/00/27/511860027.db2.gz LIGVFGIGOFCCKC-UHFFFAOYSA-N -2 0 354.315 2.541 20 5 FFBDRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000326556214 511860256 /nfs/dbraw/zinc/86/02/56/511860256.db2.gz QCZSRMXGJQJEAK-UHFFFAOYSA-N -2 0 354.315 2.541 20 5 FFBDRL Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000392086837 512920775 /nfs/dbraw/zinc/92/07/75/512920775.db2.gz HBORXOKUWCOCKX-UHFFFAOYSA-N -2 0 354.315 2.541 20 5 FFBDRL C[C@@H](Oc1cccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1)C(=O)[O-] ZINC000476966487 515268977 /nfs/dbraw/zinc/26/89/77/515268977.db2.gz YWIQCLUDJMUCHF-WWQCOOJYSA-N -2 0 358.306 2.710 20 5 FFBDRL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000499296351 515273951 /nfs/dbraw/zinc/27/39/51/515273951.db2.gz PMLWPSMTUZUFLV-UHFFFAOYSA-N -2 0 358.759 2.769 20 5 FFBDRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000548537218 517040906 /nfs/dbraw/zinc/04/09/06/517040906.db2.gz OIPFFWNKLCWNKS-UHFFFAOYSA-N -2 0 368.342 2.850 20 5 FFBDRL Cc1sc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])cc1[N+](=O)[O-] ZINC000545225529 517115961 /nfs/dbraw/zinc/11/59/61/517115961.db2.gz GPJGLUNMWZHXES-UHFFFAOYSA-N -2 0 374.371 2.911 20 5 FFBDRL COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000550111287 517867485 /nfs/dbraw/zinc/86/74/85/517867485.db2.gz IPABQEILUDGCBW-UHFFFAOYSA-N -2 0 358.759 2.763 20 5 FFBDRL O=C([O-])CSc1ccc(OC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000833264249 602000197 /nfs/dbraw/zinc/00/01/97/602000197.db2.gz JEILTICDCVQBTD-UHFFFAOYSA-N -2 0 373.346 2.867 20 5 FFBDRL Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1F ZINC000754953861 602112634 /nfs/dbraw/zinc/11/26/34/602112634.db2.gz KPGGAZPRNSHALT-UHFFFAOYSA-N -2 0 368.342 2.850 20 5 FFBDRL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc([N+](=O)[O-])ccc1[O-] ZINC000779679134 738477017 /nfs/dbraw/zinc/47/70/17/738477017.db2.gz SVHFEOMFJGHAJB-UHFFFAOYSA-N -2 0 353.674 2.820 20 5 FFBDRL O=P([O-])([O-])OCCNc1nc2c(ccc3ccccc32)nc1Cl ZINC001168590174 985666397 /nfs/dbraw/zinc/66/63/97/985666397.db2.gz UIUHZPUUQTZAPD-UHFFFAOYSA-N -2 0 353.702 2.958 20 5 FFBDRL C[C@H]1OCC[C@H]1COc1c(O)ccc2c(=O)c3c(O)cc(O)cc3oc21 ZINC001234752188 1037169106 /nfs/dbraw/zinc/16/91/06/1037169106.db2.gz FOECHAZPTKVORI-ZJUUUORDSA-N -2 0 358.346 2.867 20 5 FFBDRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(F)c1 ZINC000325087726 511844409 /nfs/dbraw/zinc/84/44/09/511844409.db2.gz JBLRKWGFMPXYRP-UHFFFAOYSA-N -2 0 374.733 2.886 20 5 FFBDRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)ccc1[N+](=O)[O-] ZINC000471136132 514765777 /nfs/dbraw/zinc/76/57/77/514765777.db2.gz IIQKKYVRDXRRFI-UHFFFAOYSA-N -2 0 361.335 2.575 20 5 FFBDRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)cc([N+](=O)[O-])c1 ZINC000463787374 515614966 /nfs/dbraw/zinc/61/49/66/515614966.db2.gz NWYKWCZUWKSDKD-UHFFFAOYSA-N -2 0 374.733 2.886 20 5 FFBDRL Cc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000507628803 516267553 /nfs/dbraw/zinc/26/75/53/516267553.db2.gz GPKTZTQOTUYQMJ-UHFFFAOYSA-N -2 0 350.352 2.711 20 5 FFBDRL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000547918447 516633929 /nfs/dbraw/zinc/63/39/29/516633929.db2.gz XJSOWYCRBKSVAW-UHFFFAOYSA-N -2 0 374.733 2.886 20 5 FFBDRL O=C([O-])C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC000833775324 605569357 /nfs/dbraw/zinc/56/93/57/605569357.db2.gz CUSXABFQQUVBFY-ZDUSSCGKSA-N -2 0 364.741 2.900 20 5 FFBDRL CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000833413396 605716901 /nfs/dbraw/zinc/71/69/01/605716901.db2.gz MQZKDXSMTFDSNA-HNNXBMFYSA-N -2 0 358.350 2.882 20 5 FFBDRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1F ZINC000751269493 735860196 /nfs/dbraw/zinc/86/01/96/735860196.db2.gz HBMBXJCBJYBNKR-UHFFFAOYSA-N -2 0 374.733 2.886 20 5 FFBDRL COc1cc(CNc2cnc(C(=O)[O-])c(Cl)c2)cc([N+](=O)[O-])c1[O-] ZINC001599418092 997545210 /nfs/dbraw/zinc/54/52/10/997545210.db2.gz CDARKXGRZYNTQQ-UHFFFAOYSA-N -2 0 353.718 2.668 20 5 FFBDRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000320438135 511814384 /nfs/dbraw/zinc/81/43/84/511814384.db2.gz LUDISEHCRXYDEQ-UHFFFAOYSA-N -2 0 356.743 2.747 20 5 FFBDRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000436880088 514018425 /nfs/dbraw/zinc/01/84/25/514018425.db2.gz ILOGXWVJLPCKMW-UHFFFAOYSA-N -2 0 372.312 2.892 20 5 FFBDRL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000547934077 516641832 /nfs/dbraw/zinc/64/18/32/516641832.db2.gz BRPKJDYLWSUEST-UHFFFAOYSA-N -2 0 354.315 2.541 20 5 FFBDRL O=C([O-])c1c([N-]S(=O)(=O)c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000548224691 516836095 /nfs/dbraw/zinc/83/60/95/516836095.db2.gz AZJIBVAIURYFCT-UHFFFAOYSA-N -2 0 356.743 2.747 20 5 FFBDRL O=C([O-])Nc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000740717797 602653814 /nfs/dbraw/zinc/65/38/14/602653814.db2.gz ZNMFZUDPOISBES-UHFFFAOYSA-N -2 0 355.303 2.625 20 5 FFBDRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1Cl ZINC000392702002 512927199 /nfs/dbraw/zinc/92/71/99/512927199.db2.gz GEOGVLGJDQOFPZ-UHFFFAOYSA-N -2 0 374.733 2.886 20 5 FFBDRL CSc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000432207998 514126796 /nfs/dbraw/zinc/12/67/96/514126796.db2.gz LIQXMCGQQIIJAD-UHFFFAOYSA-N -2 0 368.392 2.816 20 5 FFBDRL Cc1sc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1[N+](=O)[O-] ZINC000466970665 514844293 /nfs/dbraw/zinc/84/42/93/514844293.db2.gz GPVMGVUMSYESSA-UHFFFAOYSA-N -2 0 356.381 2.772 20 5 FFBDRL Cc1sc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1[N+](=O)[O-] ZINC000466973535 514846526 /nfs/dbraw/zinc/84/65/26/514846526.db2.gz NWQZSIHWWHANGO-UHFFFAOYSA-N -2 0 360.344 2.603 20 5 FFBDRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000547875175 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CN(Cc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000739714963 602654454 /nfs/dbraw/zinc/65/44/54/602654454.db2.gz MLRVHYDXVMKRMY-UHFFFAOYSA-N -2 0 371.396 2.567 20 5 FFBDRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000751215322 735854470 /nfs/dbraw/zinc/85/44/70/735854470.db2.gz KARJRIREKWLLMN-UHFFFAOYSA-N -2 0 368.342 2.795 20 5 FFBDRL Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc([N+](=O)[O-])c1F ZINC000757925535 736436202 /nfs/dbraw/zinc/43/62/02/736436202.db2.gz KQZKFBUXYKBYMM-UHFFFAOYSA-N -2 0 372.305 2.680 20 5 FFBDRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000917732192 737773821 /nfs/dbraw/zinc/77/38/21/737773821.db2.gz QJNATMZUPHSQJG-UHFFFAOYSA-N -2 0 354.315 2.541 20 5 FFBDRL CCS(=O)(=O)c1ccc([O-])c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176678548 1013750013 /nfs/dbraw/zinc/75/00/13/1013750013.db2.gz SXBVDPHURMAYGS-UHFFFAOYSA-N -2 0 366.351 2.536 20 5 FFBDRL C[C@@](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001592728935 979239774 /nfs/dbraw/zinc/23/97/74/979239774.db2.gz HXDVTLSJCKKVQJ-SFHVURJKSA-N -2 0 358.350 2.676 20 5 FFBDRL CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001598512131 992575046 /nfs/dbraw/zinc/57/50/46/992575046.db2.gz NIYNOCBGJPZBDD-UHFFFAOYSA-N -2 0 364.741 2.924 20 5 FFBDRL COc1ccc(Cn2ccc([N-]c3ncc(C(=O)[O-])cc3[N+](=O)[O-])n2)cc1 ZINC001599579597 998505518 /nfs/dbraw/zinc/50/55/18/998505518.db2.gz DEPOYODBPITJGW-UHFFFAOYSA-N -2 0 369.337 2.685 20 5 FFBDRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1O ZINC000322208742 511824222 /nfs/dbraw/zinc/82/42/22/511824222.db2.gz OSKANMNYKYIJKN-UHFFFAOYSA-N -2 0 358.759 2.769 20 5 FFBDRL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000325854402 511852185 /nfs/dbraw/zinc/85/21/85/511852185.db2.gz GJKNRPUXWGVLHK-UHFFFAOYSA-N -2 0 374.733 2.886 20 5 FFBDRL CSc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000471117185 514759051 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Cc1ccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000535598228 516417055 /nfs/dbraw/zinc/41/70/55/516417055.db2.gz LJQQQWJOAHCSLN-UHFFFAOYSA-N -2 0 368.342 2.850 20 5 FFBDRL Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1 ZINC000544639550 516849338 /nfs/dbraw/zinc/84/93/38/516849338.db2.gz MZTSNMICLDZHEH-UHFFFAOYSA-N -2 0 368.342 2.850 20 5 FFBDRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1)C(=O)[O-] ZINC000548262129 516856180 /nfs/dbraw/zinc/85/61/80/516856180.db2.gz NLAARCVSIYJSKI-VIFPVBQESA-N -2 0 370.408 2.720 20 5 FFBDRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1C ZINC000537198111 517082613 /nfs/dbraw/zinc/08/26/13/517082613.db2.gz YQNUMYQRQZBERU-SECBINFHSA-N -2 0 354.388 2.577 20 5 FFBDRL O=C([O-])COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1Cl ZINC000833258266 604942923 /nfs/dbraw/zinc/94/29/23/604942923.db2.gz FFIDFGQEKYGFTR-UHFFFAOYSA-N -2 0 366.713 2.670 20 5 FFBDRL 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ZINC000513452516 516628988 /nfs/dbraw/zinc/62/89/88/516628988.db2.gz NKMQMQQEGODJMQ-UHFFFAOYSA-N -2 0 354.315 2.541 20 5 FFBDRL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000541000919 516822157 /nfs/dbraw/zinc/82/21/57/516822157.db2.gz ROYITPWXBKAFCO-UHFFFAOYSA-N -2 0 364.379 2.803 20 5 FFBDRL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cc1C ZINC000832904900 602115859 /nfs/dbraw/zinc/11/58/59/602115859.db2.gz GEGFJAZSMBUECH-UHFFFAOYSA-N -2 0 356.381 2.772 20 5 FFBDRL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])cc1 ZINC000740174154 602645697 /nfs/dbraw/zinc/64/56/97/602645697.db2.gz HZWOBFWPBZKIRU-UHFFFAOYSA-N -2 0 351.340 2.794 20 5 FFBDRL O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001595012301 951256613 /nfs/dbraw/zinc/25/66/13/951256613.db2.gz ZKPFDQWCHPYJHL-JTQLQIEISA-N -2 0 356.762 2.813 20 5 FFBDRL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000324234985 511834948 /nfs/dbraw/zinc/83/49/48/511834948.db2.gz WHLLVPNBJHKFEO-UHFFFAOYSA-N -2 0 374.733 2.886 20 5 FFBDRL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000324613073 511837605 /nfs/dbraw/zinc/83/76/05/511837605.db2.gz PDFCLAFAEPVBEV-UHFFFAOYSA-N -2 0 374.733 2.886 20 5 FFBDRL Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000327392629 511875826 /nfs/dbraw/zinc/87/58/26/511875826.db2.gz YRQGZZAPAVFQKO-UHFFFAOYSA-N -2 0 372.305 2.680 20 5 FFBDRL Cc1cnc(OC(C)C)c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000451066189 513493133 /nfs/dbraw/zinc/49/31/33/513493133.db2.gz BTRBZGBYMZZQNP-UHFFFAOYSA-N -2 0 367.383 2.592 20 5 FFBDRL O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000432191714 514121681 /nfs/dbraw/zinc/12/16/81/514121681.db2.gz KQMKGSSDAACRFL-UHFFFAOYSA-N -2 0 356.743 2.747 20 5 FFBDRL Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1[N+](=O)[O-] ZINC000427299251 514176901 /nfs/dbraw/zinc/17/69/01/514176901.db2.gz KYFIFRUTRSGUNX-UHFFFAOYSA-N -2 0 368.342 2.850 20 5 FFBDRL CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000484540678 514681005 /nfs/dbraw/zinc/68/10/05/514681005.db2.gz NPJRFJFNMOQAPK-UHFFFAOYSA-N -2 0 356.381 2.718 20 5 FFBDRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000471118012 514759810 /nfs/dbraw/zinc/75/98/10/514759810.db2.gz YOVPULFPHQWYKY-UHFFFAOYSA-N -2 0 374.733 2.886 20 5 FFBDRL COc1cccc(-c2nc(=NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)s[n-]2)c1 ZINC000476023219 514886762 /nfs/dbraw/zinc/88/67/62/514886762.db2.gz PCWRUXDHUGCLDB-UHFFFAOYSA-N -2 0 372.362 2.502 20 5 FFBDRL Cc1cc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc(C(=O)[O-])c1 ZINC000507596786 516256575 /nfs/dbraw/zinc/25/65/75/516256575.db2.gz PMIVICVJHXFCMW-UHFFFAOYSA-N -2 0 354.315 2.541 20 5 FFBDRL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1F ZINC000548594821 517073890 /nfs/dbraw/zinc/07/38/90/517073890.db2.gz KEDJLXQQFKSKRU-UHFFFAOYSA-N -2 0 372.305 2.680 20 5 FFBDRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1 ZINC000538756329 517765358 /nfs/dbraw/zinc/76/53/58/517765358.db2.gz VJRGDVRZASFCQH-UHFFFAOYSA-N -2 0 368.342 2.850 20 5 FFBDRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc12 ZINC000609286740 520258034 /nfs/dbraw/zinc/25/80/34/520258034.db2.gz HMMOMPCSJJBWDJ-UHFFFAOYSA-N -2 0 361.335 2.575 20 5 FFBDRL CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CC(=O)[O-] ZINC000818339412 597313140 /nfs/dbraw/zinc/31/31/40/597313140.db2.gz ZMUTXCPEKZSTMQ-UHFFFAOYSA-N -2 0 364.379 2.585 20 5 FFBDRL O=C([O-])CCCc1nnc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000739708212 600540793 /nfs/dbraw/zinc/54/07/93/600540793.db2.gz OGFNTOQTXOTMHF-UHFFFAOYSA-N -2 0 370.774 2.759 20 5 FFBDRL C[C@H](CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)[O-] ZINC000827455143 600724236 /nfs/dbraw/zinc/72/42/36/600724236.db2.gz KFRCCFWLONKYRK-GFCCVEGCSA-N -2 0 358.350 2.664 20 5 FFBDRL O=C([O-])N1CCc2c(cccc2NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000740473808 603276659 /nfs/dbraw/zinc/27/66/59/603276659.db2.gz LSJMDBIRHJOJGD-UHFFFAOYSA-N -2 0 357.322 2.589 20 5 FFBDRL O=C([O-])CCCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000833227611 604273382 /nfs/dbraw/zinc/27/33/82/604273382.db2.gz OLEFIFNUNFMYMY-UHFFFAOYSA-N -2 0 360.322 2.796 20 5 FFBDRL O=C([O-])NCc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000834248975 605370113 /nfs/dbraw/zinc/37/01/13/605370113.db2.gz MBLZMIMZWCXUHY-UHFFFAOYSA-N -2 0 365.729 2.974 20 5 FFBDRL