smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1SC ZINC000414384836 837552022 /nfs/dbraw/zinc/55/20/22/837552022.db2.gz DDDBHOSQYBABCW-UHFFFAOYSA-N -1 0 382.463 3.743 20 5 GHBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000180817826 837572891 /nfs/dbraw/zinc/57/28/91/837572891.db2.gz HVFJYSBXGYMEQD-UHFFFAOYSA-N -1 0 396.494 3.511 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000511482564 837680486 /nfs/dbraw/zinc/68/04/86/837680486.db2.gz PXPDZVRBEUDTDS-INIZCTEOSA-N -1 0 397.214 3.821 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc2cc(F)c(F)cc2s1 ZINC000066254388 834674686 /nfs/dbraw/zinc/67/46/86/834674686.db2.gz JSJAUZWVTZMGEK-UHFFFAOYSA-N -1 0 385.373 3.592 20 5 GHBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000471118721 834755354 /nfs/dbraw/zinc/75/53/54/834755354.db2.gz JLINJNBGMRLYAT-UHFFFAOYSA-N -1 0 390.446 3.556 20 5 GHBDRM Cc1csc(-c2cccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2)n1 ZINC000102321031 834909066 /nfs/dbraw/zinc/90/90/66/834909066.db2.gz QUDRONQWFUZXSA-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120307751 835091993 /nfs/dbraw/zinc/09/19/93/835091993.db2.gz QZNDXCQWWICYBQ-UHFFFAOYSA-N -1 0 381.460 3.889 20 5 GHBDRM C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H](c2ccccc2)CO1 ZINC000583936275 835262273 /nfs/dbraw/zinc/26/22/73/835262273.db2.gz WIOFRRJHRQOQHT-ZBEGNZNMSA-N -1 0 376.796 3.556 20 5 GHBDRM CN(C)c1ccc(-c2cncc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])c2)cc1 ZINC000536193662 835440206 /nfs/dbraw/zinc/44/02/06/835440206.db2.gz SMHVISZBCKYHRJ-UHFFFAOYSA-N -1 0 378.388 3.681 20 5 GHBDRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000515631930 835918385 /nfs/dbraw/zinc/91/83/85/835918385.db2.gz HCNQPGAFBMMWRT-UHFFFAOYSA-N -1 0 380.422 3.501 20 5 GHBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000516879685 836213449 /nfs/dbraw/zinc/21/34/49/836213449.db2.gz VDXQHWRWRZTFJU-UHFFFAOYSA-N -1 0 381.182 3.714 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000612530563 836368020 /nfs/dbraw/zinc/36/80/20/836368020.db2.gz HWYFPAADSWMCJW-RKDXNWHRSA-N -1 0 386.248 3.503 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2scnc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000180164065 836474223 /nfs/dbraw/zinc/47/42/23/836474223.db2.gz RDTRACZNCLHVCD-UHFFFAOYSA-N -1 0 391.430 3.528 20 5 GHBDRM CC(C)C(=O)Nc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000186049730 837043440 /nfs/dbraw/zinc/04/34/40/837043440.db2.gz KJGHBMLYBQHCKP-UHFFFAOYSA-N -1 0 377.784 3.801 20 5 GHBDRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000580274337 837324667 /nfs/dbraw/zinc/32/46/67/837324667.db2.gz LLWQRIQMWWNQMD-NSHDSACASA-N -1 0 377.784 3.755 20 5 GHBDRM CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000468484187 837376565 /nfs/dbraw/zinc/37/65/65/837376565.db2.gz QZPXUWCRPZVYEK-UHFFFAOYSA-N -1 0 394.431 3.541 20 5 GHBDRM CCc1c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)onc1C(F)(F)F ZINC000414452167 838289248 /nfs/dbraw/zinc/28/92/48/838289248.db2.gz LTIGRQRTQAQNRD-UHFFFAOYSA-N -1 0 393.343 3.582 20 5 GHBDRM CC(C)Oc1ccccc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146937670 838466354 /nfs/dbraw/zinc/46/63/54/838466354.db2.gz UKQPVYMZPTZBJR-UHFFFAOYSA-N -1 0 384.841 3.514 20 5 GHBDRM O=C([O-])c1cc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc([N+](=O)[O-])c1 ZINC000432130674 840796644 /nfs/dbraw/zinc/79/66/44/840796644.db2.gz QBFXSKZBVIEXLZ-UHFFFAOYSA-N -1 0 397.318 3.872 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)cc1C ZINC000134682454 842597410 /nfs/dbraw/zinc/59/74/10/842597410.db2.gz FRCZOUFPNGOWDA-UHFFFAOYSA-N -1 0 387.417 3.976 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N(CCc1ccccc1)Cc1ccncc1 ZINC000184661329 842891421 /nfs/dbraw/zinc/89/14/21/842891421.db2.gz NNUHTRYLLCRUKD-UHFFFAOYSA-N -1 0 377.400 3.581 20 5 GHBDRM Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4cc([N+](=O)[O-])ccc4[O-])C3)nc2c1 ZINC000182149324 843254838 /nfs/dbraw/zinc/25/48/38/843254838.db2.gz GSPJCFXDDRCOEY-ZDUSSCGKSA-N -1 0 380.404 3.505 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccn([C@@H](C)c2ccccc2)n1 ZINC000610733956 843788416 /nfs/dbraw/zinc/78/84/16/843788416.db2.gz NPHJIXDGNQPEGO-AWEZNQCLSA-N -1 0 386.433 3.510 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(NC(C)=O)c1 ZINC000067124071 844788168 /nfs/dbraw/zinc/78/81/68/844788168.db2.gz HAJJCXGINYLWSU-UHFFFAOYSA-N -1 0 397.840 3.570 20 5 GHBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)c(C)c1 ZINC000603975820 861523650 /nfs/dbraw/zinc/52/36/50/861523650.db2.gz SDUBJZAWDPFLDH-UHFFFAOYSA-N -1 0 386.376 3.922 20 5 GHBDRM CCOc1ccc(Br)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185804365 861530827 /nfs/dbraw/zinc/53/08/27/861530827.db2.gz AKRFKTSMAIKIHD-UHFFFAOYSA-N -1 0 381.182 3.714 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)c(C(F)(F)F)c1 ZINC000162321144 861600247 /nfs/dbraw/zinc/60/02/47/861600247.db2.gz XMZPAEYCGUSADF-UHFFFAOYSA-N -1 0 393.368 3.748 20 5 GHBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000263154716 845918158 /nfs/dbraw/zinc/91/81/58/845918158.db2.gz HUOOUPBPZFPLDO-ZFWWWQNUSA-N -1 0 383.404 3.664 20 5 GHBDRM O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000478648739 847181591 /nfs/dbraw/zinc/18/15/91/847181591.db2.gz NYFWUGJYQNTFJF-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183465416 847605482 /nfs/dbraw/zinc/60/54/82/847605482.db2.gz CJIPLFLBZNQEIM-UHFFFAOYSA-N -1 0 377.400 3.846 20 5 GHBDRM O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000503698776 847900202 /nfs/dbraw/zinc/90/02/02/847900202.db2.gz JDIXVZATVOTFAU-UHFFFAOYSA-N -1 0 380.385 3.929 20 5 GHBDRM O=[N+]([O-])c1ccc2[nH]nc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)c2c1 ZINC000135528409 848090727 /nfs/dbraw/zinc/09/07/27/848090727.db2.gz QHYMVAMCGPGWFI-UHFFFAOYSA-N -1 0 387.204 3.579 20 5 GHBDRM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1C ZINC000121983788 848684513 /nfs/dbraw/zinc/68/45/13/848684513.db2.gz TXNCMOOYLSYDTE-UHFFFAOYSA-N -1 0 395.412 3.582 20 5 GHBDRM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000520872491 849000332 /nfs/dbraw/zinc/00/03/32/849000332.db2.gz QXXGNNQTDVSLET-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])cc2)co1 ZINC000604269251 862052834 /nfs/dbraw/zinc/05/28/34/862052834.db2.gz JUOVPAKNVSTEPP-UHFFFAOYSA-N -1 0 387.417 3.976 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425027688 850856168 /nfs/dbraw/zinc/85/61/68/850856168.db2.gz XTQOBJZQUQFEFF-UHFFFAOYSA-N -1 0 387.461 3.656 20 5 GHBDRM O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505730404 851038283 /nfs/dbraw/zinc/03/82/83/851038283.db2.gz XBMNSEPZMGYYJT-UHFFFAOYSA-N -1 0 393.403 3.538 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N(Cc1cccc(Br)c1)C1CC1 ZINC000505747471 851139679 /nfs/dbraw/zinc/13/96/79/851139679.db2.gz KLUCKQCHPKDHFM-UHFFFAOYSA-N -1 0 391.221 3.868 20 5 GHBDRM C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000488250171 851312292 /nfs/dbraw/zinc/31/22/92/851312292.db2.gz NLOFKFRPQGBMBP-SECBINFHSA-N -1 0 397.200 3.563 20 5 GHBDRM CC(C)(C)c1ccc(CNC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000604534271 862284704 /nfs/dbraw/zinc/28/47/04/862284704.db2.gz LHCTYIBQLWZFNU-OAQYLSRUSA-N -1 0 399.447 3.692 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(-c2ccccc2)ncn1C1CC1 ZINC000604536924 862288737 /nfs/dbraw/zinc/28/87/37/862288737.db2.gz CQVSVYQBGLCCIO-UHFFFAOYSA-N -1 0 398.444 3.902 20 5 GHBDRM O=C(Nc1nnc(SCc2cccs2)s1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436556814 852044333 /nfs/dbraw/zinc/04/43/33/852044333.db2.gz RDALSLBAEHTRKG-UHFFFAOYSA-N -1 0 394.459 3.758 20 5 GHBDRM CCc1c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cnn1-c1ccc(Cl)cc1 ZINC000436596659 852083546 /nfs/dbraw/zinc/08/35/46/852083546.db2.gz NCLLZUWEOUPWBX-UHFFFAOYSA-N -1 0 386.795 3.954 20 5 GHBDRM COc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1OCc1cccnc1 ZINC000436625571 852119443 /nfs/dbraw/zinc/11/94/43/852119443.db2.gz FBFDAWSUOCVAGV-UHFFFAOYSA-N -1 0 395.371 3.535 20 5 GHBDRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@H]1C ZINC000517602321 852159223 /nfs/dbraw/zinc/15/92/23/852159223.db2.gz HMNJEVYMONRMFQ-TZMCWYRMSA-N -1 0 391.449 3.615 20 5 GHBDRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000436661216 852180989 /nfs/dbraw/zinc/18/09/89/852180989.db2.gz XVDJOLCEOHXLFZ-UHFFFAOYSA-N -1 0 393.193 3.908 20 5 GHBDRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000543164390 852320592 /nfs/dbraw/zinc/32/05/92/852320592.db2.gz YNVZHZOFJUTZTP-UHFFFAOYSA-N -1 0 378.454 3.714 20 5 GHBDRM O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436814723 852376390 /nfs/dbraw/zinc/37/63/90/852376390.db2.gz LLRUAAPZXFTXJW-UHFFFAOYSA-N -1 0 394.265 3.622 20 5 GHBDRM Cc1ccc(-c2ccc(CN[C@@H](Cc3ccccc3[N+](=O)[O-])C(=O)[O-])o2)cc1 ZINC000426805576 852394923 /nfs/dbraw/zinc/39/49/23/852394923.db2.gz CSEMCJFIEJEXGO-SFHVURJKSA-N -1 0 380.400 3.949 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N(Cc1cccc(Br)c1)C1CC1 ZINC000436929261 852510211 /nfs/dbraw/zinc/51/02/11/852510211.db2.gz YWMRRUOHRUSWOE-UHFFFAOYSA-N -1 0 391.221 3.868 20 5 GHBDRM CC(=O)Nc1sc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])nc1-c1ccccc1 ZINC000436953472 852544727 /nfs/dbraw/zinc/54/47/27/852544727.db2.gz PSDBWYFEUAFOPJ-UHFFFAOYSA-N -1 0 398.400 3.635 20 5 GHBDRM COCCSc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436971961 852555827 /nfs/dbraw/zinc/55/58/27/852555827.db2.gz QNRUVKASXGCKDK-GFCCVEGCSA-N -1 0 376.434 3.530 20 5 GHBDRM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000507160589 852609344 /nfs/dbraw/zinc/60/93/44/852609344.db2.gz MKOTXNRKINJTLN-CYBMUJFWSA-N -1 0 383.404 3.567 20 5 GHBDRM Cc1c(C(=O)[O-])cc([N+](=O)[O-])cc1-c1cc(F)ccc1OC[C@H]1CCCO1 ZINC000519644008 853353014 /nfs/dbraw/zinc/35/30/14/853353014.db2.gz DSGJSUUXPKHNMI-CQSZACIVSA-N -1 0 375.352 3.965 20 5 GHBDRM Cc1[nH]c2ccccc2c1C1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000517239649 853548915 /nfs/dbraw/zinc/54/89/15/853548915.db2.gz VLJQJFBOQURROO-UHFFFAOYSA-N -1 0 380.404 3.862 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000586799276 853555143 /nfs/dbraw/zinc/55/51/43/853555143.db2.gz CDGFWDSNLHYTQT-LBPRGKRZSA-N -1 0 387.461 3.656 20 5 GHBDRM Cc1c(Cl)cccc1N1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000586825622 853571090 /nfs/dbraw/zinc/57/10/90/853571090.db2.gz SXQICEUPUXUPJA-UHFFFAOYSA-N -1 0 389.839 3.615 20 5 GHBDRM CCc1nc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000481895261 862505599 /nfs/dbraw/zinc/50/55/99/862505599.db2.gz WXYBDNNONHHZPZ-UHFFFAOYSA-N -1 0 395.384 3.742 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc(C)ccc2C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057722077 855617929 /nfs/dbraw/zinc/61/79/29/855617929.db2.gz HCZVXBRXCHDASO-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM COCCCOc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000542753714 855638603 /nfs/dbraw/zinc/63/86/03/855638603.db2.gz YQTQYQNDILRXCN-UHFFFAOYSA-N -1 0 380.784 3.621 20 5 GHBDRM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000184766134 855801267 /nfs/dbraw/zinc/80/12/67/855801267.db2.gz YQSORMOBXJTESA-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc(Cc3ccccc3)cs2)c(F)c1 ZINC000171155433 855991672 /nfs/dbraw/zinc/99/16/72/855991672.db2.gz NNLKLJAFIZCYIM-UHFFFAOYSA-N -1 0 393.421 3.582 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)c(Cl)c1 ZINC000427631522 856223751 /nfs/dbraw/zinc/22/37/51/856223751.db2.gz RJMGZPBVDZREFY-UHFFFAOYSA-N -1 0 388.188 3.844 20 5 GHBDRM O=C(NCCc1nc(C2CCCCC2)cs1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280987785 862794395 /nfs/dbraw/zinc/79/43/95/862794395.db2.gz QASFUOATBQUPHM-UHFFFAOYSA-N -1 0 375.450 3.777 20 5 GHBDRM CC[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000281031229 862812126 /nfs/dbraw/zinc/81/21/26/862812126.db2.gz VGMMWSXRGLFLIL-QMMMGPOBSA-N -1 0 375.328 3.657 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(Cl)cccc2n1 ZINC000508086057 856880837 /nfs/dbraw/zinc/88/08/37/856880837.db2.gz RHKDOTNUDOFJSV-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM COc1ccc(-c2nc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)sc2C)cc1 ZINC000427924200 856894499 /nfs/dbraw/zinc/89/44/99/856894499.db2.gz POGJTXFBONMJSA-UHFFFAOYSA-N -1 0 385.401 3.993 20 5 GHBDRM O=C([O-])c1cc(C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000485666319 856901491 /nfs/dbraw/zinc/90/14/91/856901491.db2.gz FQTBSAVORYUZQT-HIFRSBDPSA-N -1 0 394.305 3.598 20 5 GHBDRM Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000499497492 856964420 /nfs/dbraw/zinc/96/44/20/856964420.db2.gz YYRRQHMRIBATCX-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM CC(C)[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000428037563 857027466 /nfs/dbraw/zinc/02/74/66/857027466.db2.gz KHVOGCNFSUXNBV-MRXNPFEDSA-N -1 0 392.795 3.880 20 5 GHBDRM Cc1sc([C@@H]2CCCN2c2nccc3cc([N+](=O)[O-])ccc32)nc1C(=O)[O-] ZINC000592981209 857147693 /nfs/dbraw/zinc/14/76/93/857147693.db2.gz VNQKBTWITWLZGL-AWEZNQCLSA-N -1 0 384.417 3.948 20 5 GHBDRM CCOc1cc(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)c([N+](=O)[O-])cc1OC ZINC000485947803 857239950 /nfs/dbraw/zinc/23/99/50/857239950.db2.gz AIHLCHALLZFMME-UHFFFAOYSA-N -1 0 388.376 3.569 20 5 GHBDRM Cc1ccc(-c2ncccc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000442219223 857634043 /nfs/dbraw/zinc/63/40/43/857634043.db2.gz MXIQTEFTEWDOHK-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM Cn1nc(-c2ccsc2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000486568442 857870548 /nfs/dbraw/zinc/87/05/48/857870548.db2.gz UYCSTFAFYYXAIZ-UHFFFAOYSA-N -1 0 398.853 3.511 20 5 GHBDRM CCSc1ccc(Cl)cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000521526310 858094294 /nfs/dbraw/zinc/09/42/94/858094294.db2.gz IJQGAQCQKCISJC-UHFFFAOYSA-N -1 0 388.854 3.867 20 5 GHBDRM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])cc2O1 ZINC000442833006 858170792 /nfs/dbraw/zinc/17/07/92/858170792.db2.gz GYBHSIGGWGJCEA-QGZVFWFLSA-N -1 0 378.406 3.601 20 5 GHBDRM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)cc2O1 ZINC000442833854 858171955 /nfs/dbraw/zinc/17/19/55/858171955.db2.gz IZIVSRMRLIZBJT-OAHLLOKOSA-N -1 0 384.435 3.663 20 5 GHBDRM COC[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000592975007 858466586 /nfs/dbraw/zinc/46/65/86/858466586.db2.gz NPOOXEKWRRZVMU-GFCCVEGCSA-N -1 0 385.298 3.506 20 5 GHBDRM COc1ccc(Br)c(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000439151447 858545775 /nfs/dbraw/zinc/54/57/75/858545775.db2.gz 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CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C1 ZINC000727360895 860053253 /nfs/dbraw/zinc/05/32/53/860053253.db2.gz OAHRTFKQXZOPEN-UHFFFAOYSA-N -1 0 395.868 3.775 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000598139937 860070230 /nfs/dbraw/zinc/07/02/30/860070230.db2.gz QQWAEPXQMBAOHO-INIZCTEOSA-N -1 0 392.795 3.541 20 5 GHBDRM CCSc1cccc(Br)c1[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000484883062 860434859 /nfs/dbraw/zinc/43/48/59/860434859.db2.gz JOMRWZVVRLSBGG-UHFFFAOYSA-N -1 0 399.270 3.938 20 5 GHBDRM CCSc1cccc(F)c1[N-]C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000484924011 860499846 /nfs/dbraw/zinc/49/98/46/860499846.db2.gz VYVJEQWVIIBXNV-UHFFFAOYSA-N -1 0 378.381 3.885 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000125047922 860566111 /nfs/dbraw/zinc/56/61/11/860566111.db2.gz YQEIXGZBGKBOOC-UHFFFAOYSA-N -1 0 390.339 3.509 20 5 GHBDRM O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185619822 860796509 /nfs/dbraw/zinc/79/65/09/860796509.db2.gz PMPOCEGDMRRDFC-UHFFFAOYSA-N -1 0 391.286 3.809 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c2ncccc12 ZINC000185622879 860797615 /nfs/dbraw/zinc/79/76/15/860797615.db2.gz GGOSIWLBVRRGRD-UHFFFAOYSA-N -1 0 397.334 3.963 20 5 GHBDRM CCc1nc2c(s1)[C@@H](N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CCC2 ZINC000593740633 861151274 /nfs/dbraw/zinc/15/12/74/861151274.db2.gz IRMKYNJKILKQOK-HNNXBMFYSA-N -1 0 375.450 3.821 20 5 GHBDRM Cc1occc1C(=O)Nc1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000160031000 863265452 /nfs/dbraw/zinc/26/54/52/863265452.db2.gz UQENJWLYQKSHFL-UHFFFAOYSA-N -1 0 399.334 3.846 20 5 GHBDRM Cc1cc(N2CCC(c3ccc4cccnc4n3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000593946267 863444996 /nfs/dbraw/zinc/44/49/96/863444996.db2.gz AZERURAOIABDKW-UHFFFAOYSA-N -1 0 392.415 3.929 20 5 GHBDRM CC(C)(NC(=O)N=c1nc(-c2ccccc2)[n-]s1)c1ccccc1[N+](=O)[O-] ZINC000494452203 881742529 /nfs/dbraw/zinc/74/25/29/881742529.db2.gz 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ZINC000445142525 867819382 /nfs/dbraw/zinc/81/93/82/867819382.db2.gz XFHWSHFJDXHOJL-UHFFFAOYSA-N -1 0 386.795 3.530 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3c(s2)C[C@H](C)CC3)c1[N+](=O)[O-] ZINC000479619822 868230053 /nfs/dbraw/zinc/23/00/53/868230053.db2.gz UEHBYUJHDMPNCH-SECBINFHSA-N -1 0 381.479 3.594 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)c1 ZINC000743776436 868402842 /nfs/dbraw/zinc/40/28/42/868402842.db2.gz FBQFYKCORXJUAU-UHFFFAOYSA-N -1 0 382.488 3.874 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1[N+](=O)[O-] ZINC000793445369 882189725 /nfs/dbraw/zinc/18/97/25/882189725.db2.gz VTYOOECYCFWWAG-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM COc1cccc(Cc2n[n-]c(=NCc3ccc(C(C)C)c([N+](=O)[O-])c3)o2)c1 ZINC000479775530 868472572 /nfs/dbraw/zinc/47/25/72/868472572.db2.gz HBDUIVOUQRFFOQ-UHFFFAOYSA-N -1 0 382.420 3.735 20 5 GHBDRM Cn1c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)cc2nc1C(C)(C)C ZINC000535508858 868866322 /nfs/dbraw/zinc/86/63/22/868866322.db2.gz 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CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2O1 ZINC000785489283 871942402 /nfs/dbraw/zinc/94/24/02/871942402.db2.gz QTHAQEMFNHPCIO-KRWDZBQOSA-N -1 0 378.406 3.601 20 5 GHBDRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000540712451 872009563 /nfs/dbraw/zinc/00/95/63/872009563.db2.gz XHJQKUQBXNZZEY-UHFFFAOYSA-N -1 0 399.447 3.970 20 5 GHBDRM CCOc1cc(C(=O)[N-]c2c(F)cc(C(C)=O)cc2F)c([N+](=O)[O-])cc1OC ZINC000540741319 872081324 /nfs/dbraw/zinc/08/13/24/872081324.db2.gz JPSLPPRGGCVHAL-UHFFFAOYSA-N -1 0 394.330 3.735 20 5 GHBDRM O=S(=O)([N-]c1cc2cccnc2c2ncccc12)c1cccc2nccnc21 ZINC001194981678 872085220 /nfs/dbraw/zinc/08/52/20/872085220.db2.gz ZQGCZAGIMCJHEF-UHFFFAOYSA-N -1 0 387.424 3.527 20 5 GHBDRM CO[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cccc21 ZINC000447785083 872293077 /nfs/dbraw/zinc/29/30/77/872293077.db2.gz HAZHSOSNPRBKPW-AWEZNQCLSA-N -1 0 398.824 3.519 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)c2ncccc12 ZINC000463793597 872572423 /nfs/dbraw/zinc/57/24/23/872572423.db2.gz LQPUPZHXPNVZDP-UHFFFAOYSA-N -1 0 394.412 3.939 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000152962390 872741134 /nfs/dbraw/zinc/74/11/34/872741134.db2.gz BNKIAFDXZLEBLZ-ZDUSSCGKSA-N -1 0 390.823 3.885 20 5 GHBDRM O=C(Nc1ccccc1-c1ncc2n1CCCC2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000619580938 872767964 /nfs/dbraw/zinc/76/79/64/872767964.db2.gz DJRKWZAQCXDGJK-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM O=C(CSc1n[n-]c(=NC2CCCCC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000619800246 873020464 /nfs/dbraw/zinc/02/04/64/873020464.db2.gz TWSRINQIIILGIV-UHFFFAOYSA-N -1 0 378.479 3.588 20 5 GHBDRM Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000769889847 874354108 /nfs/dbraw/zinc/35/41/08/874354108.db2.gz RRCBDAZEMOIJDG-UHFFFAOYSA-N -1 0 395.231 3.667 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000550941448 882861980 /nfs/dbraw/zinc/86/19/80/882861980.db2.gz 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O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000551991136 878121128 /nfs/dbraw/zinc/12/11/28/878121128.db2.gz KVJCKKMUPLBESY-SFHVURJKSA-N -1 0 389.839 3.521 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])nn1-c1ccccc1 ZINC000537838197 878365130 /nfs/dbraw/zinc/36/51/30/878365130.db2.gz FLLNPJODSNWBFE-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)c1C ZINC000788845818 878380446 /nfs/dbraw/zinc/38/04/46/878380446.db2.gz GRVUNZHFKLHJDB-UHFFFAOYSA-N -1 0 379.394 3.537 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000460839491 878653958 /nfs/dbraw/zinc/65/39/58/878653958.db2.gz VYVWHUBRAZSINS-UHFFFAOYSA-N -1 0 390.339 3.699 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000530887922 878731530 /nfs/dbraw/zinc/73/15/30/878731530.db2.gz ZANAAFJLFDHYLC-UHFFFAOYSA-N -1 0 398.400 3.840 20 5 GHBDRM Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C 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CC(C)NC(=O)c1ccc(N[C@H](CCC(=O)[O-])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000263537494 885107943 /nfs/dbraw/zinc/10/79/43/885107943.db2.gz AIXYPNWQHBFCCT-QGZVFWFLSA-N -1 0 399.447 3.621 20 5 GHBDRM O=C([O-])/C=C\c1ccc(NCC2(c3ccccc3)CCOCC2)c([N+](=O)[O-])c1 ZINC000915213371 886019368 /nfs/dbraw/zinc/01/93/68/886019368.db2.gz WOMRWKXBPOZXDG-CLFYSBASSA-N -1 0 382.416 3.853 20 5 GHBDRM CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000862830509 886678660 /nfs/dbraw/zinc/67/86/60/886678660.db2.gz LTOWZGKAMICRLY-UHFFFAOYSA-N -1 0 387.392 3.924 20 5 GHBDRM O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1CCCC2(CC2)CC1 ZINC000863641134 887258387 /nfs/dbraw/zinc/25/83/87/887258387.db2.gz YXSWVSAUPPMGJW-UHFFFAOYSA-N -1 0 390.827 3.546 20 5 GHBDRM O=C(Nc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1)c1cccs1 ZINC000475913805 887740818 /nfs/dbraw/zinc/74/08/18/887740818.db2.gz ZVFAOHKACIQIDC-UHFFFAOYSA-N -1 0 383.385 3.867 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c(Cl)cc1Cl ZINC000809845562 887861081 /nfs/dbraw/zinc/86/10/81/887861081.db2.gz PKZJVYPBFKFDIB-UHFFFAOYSA-N -1 0 393.170 3.522 20 5 GHBDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000811717202 889915358 /nfs/dbraw/zinc/91/53/58/889915358.db2.gz AAESDKNLXUOPGW-UHFFFAOYSA-N -1 0 384.339 3.960 20 5 GHBDRM Cc1nn(C)c2cc([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3Cl)ccc12 ZINC000812271780 890491830 /nfs/dbraw/zinc/49/18/30/890491830.db2.gz SQMBQGIHOJFNRK-UHFFFAOYSA-N -1 0 394.840 3.553 20 5 GHBDRM O=c1[nH]ccc(NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1[N+](=O)[O-] ZINC001185046179 913621241 /nfs/dbraw/zinc/62/12/41/913621241.db2.gz HYTDPZVWEBSHOO-UHFFFAOYSA-N -1 0 379.298 3.512 20 5 GHBDRM CC(C)(Cc1cccc(Br)c1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001137080921 892185636 /nfs/dbraw/zinc/18/56/36/892185636.db2.gz VPJLJFAGMVUBLC-UHFFFAOYSA-N -1 0 393.237 3.814 20 5 GHBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccc(OCc2ccccn2)c1 ZINC000476007424 892366129 /nfs/dbraw/zinc/36/61/29/892366129.db2.gz 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O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1Cl ZINC000821119734 897720229 /nfs/dbraw/zinc/72/02/29/897720229.db2.gz ZQALQUGECDNKLU-UHFFFAOYSA-N -1 0 383.159 3.981 20 5 GHBDRM COCc1ccccc1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000821151183 897765742 /nfs/dbraw/zinc/76/57/42/897765742.db2.gz WZYSUOVMLMRWNB-UHFFFAOYSA-N -1 0 391.232 3.849 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCN(c2ccccc2F)C1 ZINC000568377789 897794484 /nfs/dbraw/zinc/79/44/84/897794484.db2.gz VTLMSRTXYVRUKM-JTQLQIEISA-N -1 0 379.775 3.558 20 5 GHBDRM C[C@@H](CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](C)CO)c1ccccc1 ZINC000568751362 898080783 /nfs/dbraw/zinc/08/07/83/898080783.db2.gz BCHWFJHVRNPXQJ-STQMWFEESA-N -1 0 392.839 3.581 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](c1cncc(Br)c1)C1CC1 ZINC000569714141 898906075 /nfs/dbraw/zinc/90/60/75/898906075.db2.gz WBNSAKQAVMRVIC-INIZCTEOSA-N -1 0 378.226 3.699 20 5 GHBDRM Cc1ccc(N2CCC[C@H](NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)cc1 ZINC001137000728 900013273 /nfs/dbraw/zinc/01/32/73/900013273.db2.gz PJPBLUDNCMDYBQ-AWEZNQCLSA-N -1 0 389.839 3.661 20 5 GHBDRM CCC(=O)c1ccc(N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)c([N+](=O)[O-])c1 ZINC000844220026 900585814 /nfs/dbraw/zinc/58/58/14/900585814.db2.gz YUCAFYWPHSVTDF-CYBMUJFWSA-N -1 0 375.406 3.684 20 5 GHBDRM Cc1nc2ccccc2n1C1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844212936 900605315 /nfs/dbraw/zinc/60/53/15/900605315.db2.gz QKTVGBMGFJHXEP-UHFFFAOYSA-N -1 0 394.431 3.722 20 5 GHBDRM C[C@@H](Oc1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000576306875 901932130 /nfs/dbraw/zinc/93/21/30/901932130.db2.gz NZSGMMWQDBSRFL-SNVBAGLBSA-N -1 0 390.339 3.725 20 5 GHBDRM O=C([O-])c1cc(NCCOc2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000576844041 902297319 /nfs/dbraw/zinc/29/73/19/902297319.db2.gz QNHKCGKQVJJPLS-UHFFFAOYSA-N -1 0 381.182 3.546 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc(N3CC[C@H](C(=O)[O-])[C@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000600799041 902934857 /nfs/dbraw/zinc/93/48/57/902934857.db2.gz CZIPWZWRJMPWGP-PBHICJAKSA-N -1 0 397.431 3.703 20 5 GHBDRM CC(C)(C)Oc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000600879868 903039915 /nfs/dbraw/zinc/03/99/15/903039915.db2.gz XMPWXGQVVHQYSS-HXUWFJFHSA-N -1 0 386.404 3.502 20 5 GHBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)n1 ZINC000579479063 904637625 /nfs/dbraw/zinc/63/76/25/904637625.db2.gz NTFJMCMZOUDLOA-XHDPSFHLSA-N -1 0 391.811 3.616 20 5 GHBDRM CCC(CC)c1nnc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])s1 ZINC000191775294 907238665 /nfs/dbraw/zinc/23/86/65/907238665.db2.gz VESMDMPWAHMGQI-UHFFFAOYSA-N -1 0 384.483 3.768 20 5 GHBDRM O=C(Nc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1)c1ccccc1 ZINC000779647712 908061549 /nfs/dbraw/zinc/06/15/49/908061549.db2.gz JEEAGNDRCQBDTG-UHFFFAOYSA-N -1 0 378.340 3.772 20 5 GHBDRM O=C(CSc1n[n-]c(=S)s1)Nc1cc2cccnc2c2ncccc12 ZINC001177343798 908535603 /nfs/dbraw/zinc/53/56/03/908535603.db2.gz SJUGUSAEEJLPLS-UHFFFAOYSA-N -1 0 385.499 3.654 20 5 GHBDRM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])c2)cs1 ZINC000194721881 908917666 /nfs/dbraw/zinc/91/76/66/908917666.db2.gz ODSQVNQWVXFCHK-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM COc1cccc(Cc2cnc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])s2)c1 ZINC000795350463 910031748 /nfs/dbraw/zinc/03/17/48/910031748.db2.gz NQQRWLHEVSNKIK-UHFFFAOYSA-N -1 0 385.401 3.609 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)cc([N+](=O)[O-])c1F ZINC000795385713 910137440 /nfs/dbraw/zinc/13/74/40/910137440.db2.gz CNTLBZRMIGRGCI-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1 ZINC000775221028 916385989 /nfs/dbraw/zinc/38/59/89/916385989.db2.gz IFPFZFMVBBVBCI-UHFFFAOYSA-N -1 0 394.474 3.522 20 5 GHBDRM CC(C)c1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC2 ZINC001189507597 916689477 /nfs/dbraw/zinc/68/94/77/916689477.db2.gz JRWGDVIAJCMBCD-KRWDZBQOSA-N -1 0 378.425 3.823 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001190349010 917277418 /nfs/dbraw/zinc/27/74/18/917277418.db2.gz ZZDMSNAZTKNMJA-HZPDHXFCSA-N -1 0 392.452 3.986 20 5 GHBDRM Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C(F)(F)F)o1 ZINC001191856635 918238194 /nfs/dbraw/zinc/23/81/94/918238194.db2.gz MYOMEBKDICBUGV-GFCCVEGCSA-N -1 0 398.746 3.732 20 5 GHBDRM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001191848521 918262432 /nfs/dbraw/zinc/26/24/32/918262432.db2.gz PUHMPLRJITYFFB-SNVBAGLBSA-N -1 0 399.296 3.631 20 5 GHBDRM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000112850749 919345976 /nfs/dbraw/zinc/34/59/76/919345976.db2.gz MRACBTYMGNROQN-UHFFFAOYSA-N -1 0 396.222 3.639 20 5 GHBDRM CCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCN(C(=O)[O-])CC1 ZINC000826879533 924335172 /nfs/dbraw/zinc/33/51/72/924335172.db2.gz NMVPZHDTYAJTOR-UHFFFAOYSA-N -1 0 384.820 3.635 20 5 GHBDRM Cn1cc(/C=C/c2ncc(/C=C\C(=O)[O-])s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000751039454 927997533 /nfs/dbraw/zinc/99/75/33/927997533.db2.gz RZSMWYRWRITQNI-ZSITZFGTSA-N -1 0 382.401 3.720 20 5 GHBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1nc2c(s1)CCCCCC2 ZINC000544809177 929614754 /nfs/dbraw/zinc/61/47/54/929614754.db2.gz MSYONHBSYMEKRM-UHFFFAOYSA-N -1 0 381.479 3.652 20 5 GHBDRM COC1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCC(c2ccccc2)CC1 ZINC000557940848 931765753 /nfs/dbraw/zinc/76/57/53/931765753.db2.gz XRVJLWAWFWTVKQ-UHFFFAOYSA-N -1 0 384.432 3.773 20 5 GHBDRM C[C@@H](NC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000797710338 932377076 /nfs/dbraw/zinc/37/70/76/932377076.db2.gz AXSNFTYYOBRGLP-BFUOFWGJSA-N -1 0 393.399 3.934 20 5 GHBDRM CC(C)C[C@H]1CCN(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])C1 ZINC000798296688 932597458 /nfs/dbraw/zinc/59/74/58/932597458.db2.gz MFBZWCVPIJCKFS-GFCCVEGCSA-N -1 0 392.843 3.648 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000560011179 933019493 /nfs/dbraw/zinc/01/94/93/933019493.db2.gz CPNMKWLPVNETJX-UHFFFAOYSA-N -1 0 377.241 3.528 20 5 GHBDRM C[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2C1 ZINC001115965482 933261773 /nfs/dbraw/zinc/26/17/73/933261773.db2.gz PMWQFBVESBEPBS-QMMMGPOBSA-N -1 0 387.870 3.630 20 5 GHBDRM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC001137927936 935874094 /nfs/dbraw/zinc/87/40/94/935874094.db2.gz YFPYAPQIEQNQBF-KRWDZBQOSA-N -1 0 394.431 3.930 20 5 GHBDRM O=C([O-])[C@@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)c2ccccc21 ZINC001594811445 953829622 /nfs/dbraw/zinc/82/96/22/953829622.db2.gz SXPZFJGDFVNFKH-DGCLKSJQSA-N -1 0 375.768 3.683 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001594112511 958528478 /nfs/dbraw/zinc/52/84/78/958528478.db2.gz YNHIWHWZBBMTOI-VIFPVBQESA-N -1 0 390.417 3.740 20 5 GHBDRM CN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001573980299 961768110 /nfs/dbraw/zinc/76/81/10/961768110.db2.gz SJPFCXJDDSPRIW-CLFYSBASSA-N -1 0 399.384 3.686 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)ccn1 ZINC001574608129 962185794 /nfs/dbraw/zinc/18/57/94/962185794.db2.gz GSAYIAZBYJCAHY-UHFFFAOYSA-N -1 0 392.371 3.552 20 5 GHBDRM O=C([O-])[C@@H](C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC001574622384 962261205 /nfs/dbraw/zinc/26/12/05/962261205.db2.gz ZOIDRVKLWPWFIP-HNNXBMFYSA-N -1 0 390.417 3.653 20 5 GHBDRM COc1cc(Br)ccc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001154386818 1032075467 /nfs/dbraw/zinc/07/54/67/1032075467.db2.gz MJLHYAWVWHXKDA-VIFPVBQESA-N -1 0 395.209 3.563 20 5 GHBDRM CC(C)Oc1cc(C(=O)OCc2c(F)cc(C(=O)[O-])cc2F)ccc1[N+](=O)[O-] ZINC001591751481 975805439 /nfs/dbraw/zinc/80/54/39/975805439.db2.gz SLGGSIRHFOMUJT-UHFFFAOYSA-N -1 0 395.314 3.715 20 5 GHBDRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001591773206 975911374 /nfs/dbraw/zinc/91/13/74/975911374.db2.gz RNATZAFFTSCPIS-UHFFFAOYSA-N -1 0 398.375 3.742 20 5 GHBDRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)c1ccccn1 ZINC001592299155 977651341 /nfs/dbraw/zinc/65/13/41/977651341.db2.gz ZMUUYRUNKUHSKL-HXUWFJFHSA-N -1 0 394.387 3.655 20 5 GHBDRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000832847974 979049773 /nfs/dbraw/zinc/04/97/73/979049773.db2.gz GVDHRYKWEMTGAE-UHFFFAOYSA-N -1 0 393.193 3.545 20 5 GHBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001595211913 979995906 /nfs/dbraw/zinc/99/59/06/979995906.db2.gz LBUVFBLBYRNRFV-KSSFIOAISA-N -1 0 388.395 3.635 20 5 GHBDRM CCN1C(=O)CCc2cc(Nc3c(Cl)cc([N+](=O)[O-])cc3C(=O)[O-])ccc21 ZINC001596389112 983918785 /nfs/dbraw/zinc/91/87/85/983918785.db2.gz AETUNUBEESXYHP-UHFFFAOYSA-N -1 0 389.795 3.989 20 5 GHBDRM C/C(=C\C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC001588940246 984633424 /nfs/dbraw/zinc/63/34/24/984633424.db2.gz ZZRRAMLYKKVABN-RDELFYGPSA-N -1 0 388.807 3.768 20 5 GHBDRM CCO[C@@H]1C[C@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])[C@H]1Oc1ccccc1 ZINC001596841673 985525682 /nfs/dbraw/zinc/52/56/82/985525682.db2.gz BGRBEWMTVJEVRI-QXAKKESOSA-N -1 0 386.404 3.638 20 5 GHBDRM Cc1c(Br)cc(C(=O)Oc2cccc(CC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001599970398 985996702 /nfs/dbraw/zinc/99/67/02/985996702.db2.gz HMSRKHQDRKPHPB-UHFFFAOYSA-N -1 0 394.177 3.512 20 5 GHBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC001599971268 986009877 /nfs/dbraw/zinc/00/98/77/986009877.db2.gz BBXIQJKUNZLOGW-AWEZNQCLSA-N -1 0 394.177 3.648 20 5 GHBDRM CCOc1cc(Cn2ncc3ccc(Cl)c(C(=O)[O-])c32)ccc1[N+](=O)[O-] ZINC001597037162 986482066 /nfs/dbraw/zinc/48/20/66/986482066.db2.gz ZGPGLFKBRMJVDG-UHFFFAOYSA-N -1 0 375.768 3.743 20 5 GHBDRM C[C@@H]1CSC[C@H]1Nc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001594613823 986623894 /nfs/dbraw/zinc/62/38/94/986623894.db2.gz UNUPGCIFYCCBLB-BDJLRTHQSA-N -1 0 386.429 3.687 20 5 GHBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001597142834 986892159 /nfs/dbraw/zinc/89/21/59/986892159.db2.gz MUAOIIYJVTUXHI-OAHLLOKOSA-N -1 0 387.392 3.639 20 5 GHBDRM CC(C)(C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1F ZINC001589576987 987357252 /nfs/dbraw/zinc/35/72/52/987357252.db2.gz ZCCAHIGRCLIICC-UHFFFAOYSA-N -1 0 390.367 3.504 20 5 GHBDRM CCc1c(NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cnn1CC(C)C ZINC001597420377 987734070 /nfs/dbraw/zinc/73/40/70/987734070.db2.gz SYTRVURVHCSVQT-UHFFFAOYSA-N -1 0 389.412 3.660 20 5 GHBDRM CCc1cc(C(=O)[O-])c(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC001597440675 987800234 /nfs/dbraw/zinc/80/02/34/987800234.db2.gz IHCOHXSUQQKXKC-UHFFFAOYSA-N -1 0 398.824 3.978 20 5 GHBDRM CCc1ccc(C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)cc1[N+](=O)[O-] ZINC001597501021 988063784 /nfs/dbraw/zinc/06/37/84/988063784.db2.gz KTGOOGWRQDQJSM-UHFFFAOYSA-N -1 0 382.372 3.574 20 5 GHBDRM CCc1ccc(C2CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CC2)cc1 ZINC001597518495 988138488 /nfs/dbraw/zinc/13/84/88/988138488.db2.gz VBVGVDONHMFMHH-UHFFFAOYSA-N -1 0 382.416 3.875 20 5 GHBDRM CSc1c(F)cc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1F ZINC001599805954 988256258 /nfs/dbraw/zinc/25/62/58/988256258.db2.gz FIDKQDOEXIHYIU-UHFFFAOYSA-N -1 0 384.360 3.670 20 5 GHBDRM CSc1ccc(C(=O)OCc2c(F)cc(C(=O)[O-])cc2F)cc1[N+](=O)[O-] ZINC001599810351 988323749 /nfs/dbraw/zinc/32/37/49/988323749.db2.gz RDTUEIFHJPYWLE-UHFFFAOYSA-N -1 0 383.328 3.650 20 5 GHBDRM CSc1ccc(NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)cc1C(=O)[O-] ZINC001599818842 988477076 /nfs/dbraw/zinc/47/70/76/988477076.db2.gz CAHPKZHXWMVMBZ-UHFFFAOYSA-N -1 0 382.344 3.854 20 5 GHBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC001599822967 988546393 /nfs/dbraw/zinc/54/63/93/988546393.db2.gz PRESDWYRSIEINZ-UHFFFAOYSA-N -1 0 378.381 3.577 20 5 GHBDRM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC001599841006 988830770 /nfs/dbraw/zinc/83/07/70/988830770.db2.gz 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GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001593667031 996054970 /nfs/dbraw/zinc/05/49/70/996054970.db2.gz ITHHTTXNHCTBPE-GFCCVEGCSA-N -1 0 390.417 3.568 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001593667603 996059234 /nfs/dbraw/zinc/05/92/34/996059234.db2.gz RKQVJMRYIQVEPM-MLGOLLRUSA-N -1 0 380.466 3.615 20 5 GHBDRM COCCN(Cc1ccc(F)cc1Cl)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599238386 997988868 /nfs/dbraw/zinc/98/88/68/997988868.db2.gz WAHKVGVZJYNGMM-UHFFFAOYSA-N -1 0 396.802 3.734 20 5 GHBDRM Cc1ccc(N2C(=O)N[C@@H](c3ccc([N+](=O)[O-])cc3)C(C(=O)[O-])=C2C)c(C)c1 ZINC001594097914 998074633 /nfs/dbraw/zinc/07/46/33/998074633.db2.gz JRVCQNFGOXRHQD-SFHVURJKSA-N -1 0 381.388 3.841 20 5 GHBDRM COc1cc(C(=O)[O-])cc(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1OC ZINC001599362764 998286982 /nfs/dbraw/zinc/28/69/82/998286982.db2.gz VIAUAFSKVDKHHA-UHFFFAOYSA-N -1 0 399.359 3.577 20 5 GHBDRM 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BISATRBTCKLPDS-UHFFFAOYSA-N -1 0 377.194 3.527 20 5 GHBDRM C[C@@H](NC(=O)c1cc(Br)c(F)cc1[O-])c1ccccc1[N+](=O)[O-] ZINC001455451631 1062157207 /nfs/dbraw/zinc/15/72/07/1062157207.db2.gz WTFORRQSIJSFIS-MRVPVSSYSA-N -1 0 383.173 3.693 20 5 GHBDRM CC(C)(Cc1cccc(Br)c1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001465531129 1065691532 /nfs/dbraw/zinc/69/15/32/1065691532.db2.gz NLKAHUGHAVTMRN-UHFFFAOYSA-N -1 0 393.237 3.814 20 5 GHBDRM Cc1ccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c(OCC2CC2)c1 ZINC001465785291 1065854927 /nfs/dbraw/zinc/85/49/27/1065854927.db2.gz FNBMSJLHOJBNHJ-UHFFFAOYSA-N -1 0 390.823 3.981 20 5 GHBDRM COc1ccc(SC)c(OC)c1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001466408850 1066137246 /nfs/dbraw/zinc/13/72/46/1066137246.db2.gz JQRRUNQUFGHZGC-UHFFFAOYSA-N -1 0 398.824 3.945 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001546162369 1067275758 /nfs/dbraw/zinc/27/57/58/1067275758.db2.gz HMFILYJVNUZUSF-NEPJUHHUSA-N -1 0 377.740 3.604 20 5 GHBDRM CCC[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](O)c1ccccc1 ZINC001467764109 1067458259 /nfs/dbraw/zinc/45/82/59/1067458259.db2.gz OVOOVPLAIWRRIZ-ZBFHGGJFSA-N -1 0 378.812 3.586 20 5 GHBDRM CCC[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](O)c1ccccc1 ZINC001467764106 1067458366 /nfs/dbraw/zinc/45/83/66/1067458366.db2.gz OVOOVPLAIWRRIZ-GDBMZVCRSA-N -1 0 378.812 3.586 20 5 GHBDRM COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c2ccccc2)cc1 ZINC001470019794 1068526696 /nfs/dbraw/zinc/52/66/96/1068526696.db2.gz KPSRYBZAVYUFSD-FQEVSTJZSA-N -1 0 378.384 3.828 20 5 GHBDRM O=C(Nc1ccc(F)c(C(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001471282187 1072997037 /nfs/dbraw/zinc/99/70/37/1072997037.db2.gz MVKIMLSNUHHQGG-UHFFFAOYSA-N -1 0 380.331 3.923 20 5 GHBDRM O=C(NCC1(c2ccc(Br)cc2)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001471737195 1073202578 /nfs/dbraw/zinc/20/25/78/1073202578.db2.gz IQWMOFPBNTXGKO-UHFFFAOYSA-N -1 0 391.221 3.525 20 5 GHBDRM CCOC(=O)[C@@H](Cc1cccc2ccccc21)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC001473699904 1074094334 /nfs/dbraw/zinc/09/43/34/1074094334.db2.gz QGUDWDLOSXXWGI-HXUWFJFHSA-N -1 0 394.427 3.718 20 5 GHBDRM Cc1cc([C@@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C2CC2)ccc1F ZINC001475113024 1074741644 /nfs/dbraw/zinc/74/16/44/1074741644.db2.gz RMIKWCNQJJZTKE-INIZCTEOSA-N -1 0 382.388 3.611 20 5 GHBDRM C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H](c2ccccc2)C1 ZINC001475385533 1074856471 /nfs/dbraw/zinc/85/64/71/1074856471.db2.gz KNIGVDRZANTNKE-BPUTZDHNSA-N -1 0 390.461 3.551 20 5 GHBDRM Cc1csc(-c2cccc(OC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2)n1 ZINC000738334874 599800060 /nfs/dbraw/zinc/80/00/60/599800060.db2.gz VQOXCVZXAZORCK-UHFFFAOYSA-N -1 0 384.369 3.944 20 5 GHBDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000738201423 599849643 /nfs/dbraw/zinc/84/96/43/599849643.db2.gz QMGMGGRGALKDGQ-IAQFLPNQSA-N -1 0 386.429 3.662 20 5 GHBDRM 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ZINC000736510384 600190990 /nfs/dbraw/zinc/19/09/90/600190990.db2.gz WAVWVQJSLKJQIV-UHFFFAOYSA-N -1 0 394.387 3.854 20 5 GHBDRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000739719979 600206436 /nfs/dbraw/zinc/20/64/36/600206436.db2.gz CSYGJRHYTLKKMZ-UHFFFAOYSA-N -1 0 398.749 3.644 20 5 GHBDRM C[C@H]1CN(c2ccc(Nc3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])cc2)CCO1 ZINC000736821927 600259587 /nfs/dbraw/zinc/25/95/87/600259587.db2.gz AXCCRTFQZRLJLO-WMKWSGJFSA-N -1 0 383.404 3.661 20 5 GHBDRM O=C([O-])[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cccc(Cl)c1 ZINC000740292885 600325998 /nfs/dbraw/zinc/32/59/98/600325998.db2.gz RPSHPBWCGQCHIS-HNNXBMFYSA-N -1 0 375.720 3.977 20 5 GHBDRM O=C([O-])c1cc(OCc2nc(-c3cccc(Cl)c3)no2)ccc1[N+](=O)[O-] ZINC000740088764 600441289 /nfs/dbraw/zinc/44/12/89/600441289.db2.gz XZIKRVBWIDUWFY-UHFFFAOYSA-N -1 0 375.724 3.575 20 5 GHBDRM COC(=O)c1sc2ccccc2c1COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000737724316 600443895 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20 5 GHBDRM CCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1C(=O)[O-] ZINC000829602629 601157666 /nfs/dbraw/zinc/15/76/66/601157666.db2.gz SOTDREURMCZUJA-UHFFFAOYSA-N -1 0 393.193 3.722 20 5 GHBDRM CCc1oc(C(=O)[O-])cc1COC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000830391199 601194599 /nfs/dbraw/zinc/19/45/99/601194599.db2.gz WCLNELAGQHJRKB-UHFFFAOYSA-N -1 0 398.165 3.568 20 5 GHBDRM COc1cc(/C=C\C(=O)[O-])ccc1Oc1ncc([N+](=O)[O-])cc1Br ZINC000831978165 601224467 /nfs/dbraw/zinc/22/44/67/601224467.db2.gz YGWOVQNEVQLYJT-HYXAFXHYSA-N -1 0 395.165 3.651 20 5 GHBDRM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000833233739 601449301 /nfs/dbraw/zinc/44/93/01/601449301.db2.gz BWRFFGPAMURRPS-UHFFFAOYSA-N -1 0 398.749 3.644 20 5 GHBDRM CCc1oc(C(=O)[O-])cc1COC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000830390257 601458555 /nfs/dbraw/zinc/45/85/55/601458555.db2.gz CGYBLYKIGCKGQQ-UHFFFAOYSA-N -1 0 398.165 3.568 20 5 GHBDRM O=C([O-])C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C1CC1 ZINC000833199207 601538285 /nfs/dbraw/zinc/53/82/85/601538285.db2.gz RTHDSRLGMMNGEO-INIZCTEOSA-N -1 0 386.429 3.729 20 5 GHBDRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000767073896 601629975 /nfs/dbraw/zinc/62/99/75/601629975.db2.gz GPHIRYPALPDGSL-UHFFFAOYSA-N -1 0 397.156 3.755 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000826860970 601697268 /nfs/dbraw/zinc/69/72/68/601697268.db2.gz MWZJFOXMXBXYDK-GXTWGEPZSA-N -1 0 380.466 3.526 20 5 GHBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830806259 601903341 /nfs/dbraw/zinc/90/33/41/601903341.db2.gz JTKWMTIWYRMYRD-HNNXBMFYSA-N -1 0 388.729 3.923 20 5 GHBDRM O=C([O-])[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)c1cc(Cl)cc(Cl)c1 ZINC000833348261 602081142 /nfs/dbraw/zinc/08/11/42/602081142.db2.gz QWYHEJOVBSPJMG-LLVKDONJSA-N -1 0 376.173 3.946 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCc3c(cnn3-c3ccccc3)C2)cc1Cl ZINC000833307699 602252567 /nfs/dbraw/zinc/25/25/67/602252567.db2.gz QTFYAJBQIQXGSW-UHFFFAOYSA-N -1 0 398.806 3.695 20 5 GHBDRM COc1cc([C@@H](C)Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)cc(OC)c1OC ZINC000580315848 602313486 /nfs/dbraw/zinc/31/34/86/602313486.db2.gz QFIIVUZKVTVBJT-LLVKDONJSA-N -1 0 390.392 3.800 20 5 GHBDRM Cc1cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583755943 602314542 /nfs/dbraw/zinc/31/45/42/602314542.db2.gz KDIWERHAOKHDJK-INIZCTEOSA-N -1 0 376.796 3.833 20 5 GHBDRM Cc1cc(N2CCC[C@@H]2c2cccc3c2OCCO3)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579127832 602316646 /nfs/dbraw/zinc/31/66/46/602316646.db2.gz CCIJZONTEFBWAH-MRXNPFEDSA-N -1 0 384.388 3.714 20 5 GHBDRM C[C@H](CCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000827418107 604263521 /nfs/dbraw/zinc/26/35/21/604263521.db2.gz WUWKYCSXIVIFJK-SECBINFHSA-N -1 0 387.820 3.662 20 5 GHBDRM CCn1c(Sc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])nnc1-c1cccnc1 ZINC000830415707 604279705 /nfs/dbraw/zinc/27/97/05/604279705.db2.gz AQRWKMBUBYDXLS-SOFGYWHQSA-N -1 0 397.416 3.517 20 5 GHBDRM CSc1ccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000832774695 604377481 /nfs/dbraw/zinc/37/74/81/604377481.db2.gz YXRYAQUBCPEDRA-MRXNPFEDSA-N -1 0 388.445 3.899 20 5 GHBDRM CC(C)(C(=O)[O-])[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000826090395 604381090 /nfs/dbraw/zinc/38/10/90/604381090.db2.gz RPEZTQHJNHFSDO-QGZVFWFLSA-N -1 0 388.445 3.655 20 5 GHBDRM CCNc1ccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000829809171 604391328 /nfs/dbraw/zinc/39/13/28/604391328.db2.gz RRBRZCXXRBEUEH-KRWDZBQOSA-N -1 0 385.420 3.609 20 5 GHBDRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000825398463 604456532 /nfs/dbraw/zinc/45/65/32/604456532.db2.gz XEOIKMYLXJOKPX-SNVBAGLBSA-N -1 0 377.784 3.507 20 5 GHBDRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000825396901 604457557 /nfs/dbraw/zinc/45/75/57/604457557.db2.gz DJNYKHJCXDBGAY-SNVBAGLBSA-N -1 0 377.784 3.507 20 5 GHBDRM CCn1c(SCc2ccccc2C(=O)[O-])nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000830416318 604752675 /nfs/dbraw/zinc/75/26/75/604752675.db2.gz PQYHLZJCUNDQEG-UHFFFAOYSA-N -1 0 384.417 3.864 20 5 GHBDRM CC(C)(C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)c1ccc([N+](=O)[O-])cc1 ZINC000833411862 604875828 /nfs/dbraw/zinc/87/58/28/604875828.db2.gz SSTPNIQAPZUPGF-UHFFFAOYSA-N -1 0 375.406 3.543 20 5 GHBDRM C[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])[C@H]1C ZINC000833607116 605002464 /nfs/dbraw/zinc/00/24/64/605002464.db2.gz CKKFZLYXTQTZAA-XUJVJEKNSA-N -1 0 380.466 3.716 20 5 GHBDRM C[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])[C@H](C)C1 ZINC000833604256 605004267 /nfs/dbraw/zinc/00/42/67/605004267.db2.gz QPZBMFHLURCFMT-JMSVASOKSA-N -1 0 380.466 3.716 20 5 GHBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000761419685 605146997 /nfs/dbraw/zinc/14/69/97/605146997.db2.gz LUIDBXOFNWENCN-UHFFFAOYSA-N -1 0 386.429 3.996 20 5 GHBDRM Cc1cc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579714944 605195484 /nfs/dbraw/zinc/19/54/84/605195484.db2.gz HRVDQUCRHYLVQR-NSHDSACASA-N -1 0 398.341 3.658 20 5 GHBDRM O=C([O-])NCc1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000834247537 605896454 /nfs/dbraw/zinc/89/64/54/605896454.db2.gz NRDLYYNSQOKKKS-UHFFFAOYSA-N -1 0 384.392 3.559 20 5 GHBDRM Cn1ccnc1SCc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000180772739 837541755 /nfs/dbraw/zinc/54/17/55/837541755.db2.gz TYZKKJGQNJGPIK-UHFFFAOYSA-N -1 0 384.417 3.579 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000511482575 837680311 /nfs/dbraw/zinc/68/03/11/837680311.db2.gz PXPDZVRBEUDTDS-MRXNPFEDSA-N -1 0 397.214 3.821 20 5 GHBDRM O=C(CSc1ccc(Br)cc1[N+](=O)[O-])[N-]OCc1ccccc1 ZINC000755909941 837715138 /nfs/dbraw/zinc/71/51/38/837715138.db2.gz BZRQCMUHYPIHOT-UHFFFAOYSA-N -1 0 397.250 3.697 20 5 GHBDRM CC(C)(C)Oc1c(F)cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000120306790 835091959 /nfs/dbraw/zinc/09/19/59/835091959.db2.gz LSTRHGWPBAIBKQ-UHFFFAOYSA-N -1 0 392.405 3.913 20 5 GHBDRM CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1nc(C(F)(F)F)cs1 ZINC000179531896 835863281 /nfs/dbraw/zinc/86/32/81/835863281.db2.gz LODPDFBUPPURDZ-SECBINFHSA-N -1 0 375.328 3.657 20 5 GHBDRM CCCc1[nH]nc(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)c1[N+](=O)[O-] ZINC000109620602 836432754 /nfs/dbraw/zinc/43/27/54/836432754.db2.gz AGUYTWDIIJDKBD-UHFFFAOYSA-N -1 0 386.437 3.658 20 5 GHBDRM COc1cc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])ccc1OC(F)F ZINC000013212062 836856748 /nfs/dbraw/zinc/85/67/48/836856748.db2.gz YQGFVMDFPSNOQU-QPJJXVBHSA-N -1 0 394.330 3.915 20 5 GHBDRM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2O1 ZINC000430378069 836877264 /nfs/dbraw/zinc/87/72/64/836877264.db2.gz QYUROWKGPQVSPR-UHFFFAOYSA-N -1 0 382.825 3.763 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(CCC(F)(F)F)cc2)ccc1[O-] ZINC000175777178 836985647 /nfs/dbraw/zinc/98/56/47/836985647.db2.gz VGIBBKCJQPGWPA-UHFFFAOYSA-N -1 0 390.339 3.596 20 5 GHBDRM CCc1ccc(O)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000161678647 837177727 /nfs/dbraw/zinc/17/77/27/837177727.db2.gz JNRBEKKHOFRIOI-UHFFFAOYSA-N -1 0 390.339 3.682 20 5 GHBDRM CCCOc1ccc([C@@H](C)Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1OC ZINC000580201600 837314328 /nfs/dbraw/zinc/31/43/28/837314328.db2.gz VWVDFIFSDVRBGZ-LLVKDONJSA-N -1 0 375.381 3.659 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)c1[N+](=O)[O-] ZINC000189250202 838249326 /nfs/dbraw/zinc/24/93/26/838249326.db2.gz VRSZNZJAHYJMFH-UHFFFAOYSA-N -1 0 398.444 3.778 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000134059238 838287412 /nfs/dbraw/zinc/28/74/12/838287412.db2.gz HUPYVMUMSWZRIH-UHFFFAOYSA-N -1 0 385.785 3.574 20 5 GHBDRM CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000431861685 838902008 /nfs/dbraw/zinc/90/20/08/838902008.db2.gz YWKTWVTYGGUXLL-LJQANCHMSA-N -1 0 394.383 3.702 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)cc1C ZINC000060442635 841234923 /nfs/dbraw/zinc/23/49/23/841234923.db2.gz FWJCSNHSMMVWNR-UHFFFAOYSA-N -1 0 391.449 3.607 20 5 GHBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000157235766 841703788 /nfs/dbraw/zinc/70/37/88/841703788.db2.gz SQPHTLGWXBRYLE-UHFFFAOYSA-N -1 0 390.339 3.514 20 5 GHBDRM CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000109125640 841787869 /nfs/dbraw/zinc/78/78/69/841787869.db2.gz AMZYIUHPVJDBSV-UHFFFAOYSA-N -1 0 384.413 3.793 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccn([C@H](C)c2ccccc2)n1 ZINC000610733957 842034132 /nfs/dbraw/zinc/03/41/32/842034132.db2.gz NPHJIXDGNQPEGO-CQSZACIVSA-N -1 0 386.433 3.510 20 5 GHBDRM O=[N+]([O-])c1ccc(OC(F)F)c([N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000125531959 842065502 /nfs/dbraw/zinc/06/55/02/842065502.db2.gz CEAWCUXXWKMJHC-UHFFFAOYSA-N -1 0 396.730 3.790 20 5 GHBDRM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000548201013 842151383 /nfs/dbraw/zinc/15/13/83/842151383.db2.gz CLOGTFRHAFFLOF-UHFFFAOYSA-N -1 0 398.462 3.658 20 5 GHBDRM Cc1[nH]c2ccccc2c1C1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000584617514 842678967 /nfs/dbraw/zinc/67/89/67/842678967.db2.gz XDCBBWKCMRHSCQ-UHFFFAOYSA-N -1 0 380.404 3.862 20 5 GHBDRM O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1)c1cccs1 ZINC000184620337 842875629 /nfs/dbraw/zinc/87/56/29/842875629.db2.gz VFZGMFIVMRTTQZ-UHFFFAOYSA-N -1 0 383.385 3.867 20 5 GHBDRM O=C(NCc1ccccc1OCc1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000603928065 861389442 /nfs/dbraw/zinc/38/94/42/861389442.db2.gz MHEGKBKWBLULOW-UHFFFAOYSA-N -1 0 378.384 3.809 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000150823091 843319330 /nfs/dbraw/zinc/31/93/30/843319330.db2.gz HQEWUNNCEPRTFW-UHFFFAOYSA-N -1 0 394.302 3.562 20 5 GHBDRM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])ccc21 ZINC000065069864 843413311 /nfs/dbraw/zinc/41/33/11/843413311.db2.gz DZJUBGNXUJOJFS-UHFFFAOYSA-N -1 0 389.433 3.769 20 5 GHBDRM Cc1nn(C)c(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)c1[N+](=O)[O-] ZINC000181903255 843536250 /nfs/dbraw/zinc/53/62/50/843536250.db2.gz FVLVYVGJWHHSSP-UHFFFAOYSA-N -1 0 379.587 3.555 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c(C(F)(F)F)c1 ZINC000067124831 844785920 /nfs/dbraw/zinc/78/59/20/844785920.db2.gz KVCYZVMFHIEYEH-UHFFFAOYSA-N -1 0 394.302 3.562 20 5 GHBDRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000785089185 845164203 /nfs/dbraw/zinc/16/42/03/845164203.db2.gz DBNYVYNLLRGNPV-GFCCVEGCSA-N -1 0 394.474 3.604 20 5 GHBDRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000263356760 846185066 /nfs/dbraw/zinc/18/50/66/846185066.db2.gz RAFRVEPBZPNTGH-RHSMWYFYSA-N -1 0 397.431 3.532 20 5 GHBDRM O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000183583589 846347528 /nfs/dbraw/zinc/34/75/28/846347528.db2.gz SADZMPZQYQOKOM-CYBMUJFWSA-N -1 0 381.388 3.848 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2[nH]c(C(F)F)nc2c1 ZINC000135518253 846802228 /nfs/dbraw/zinc/80/22/28/846802228.db2.gz VDNKVCURDXEKJW-UHFFFAOYSA-N -1 0 382.348 3.518 20 5 GHBDRM Cc1cc2sc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)nc2c(C)c1 ZINC000016125039 847372623 /nfs/dbraw/zinc/37/26/23/847372623.db2.gz XQZDRZIVAALZSQ-UHFFFAOYSA-N -1 0 377.447 3.931 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc2cccc(Cl)c2n1 ZINC000502477816 847933912 /nfs/dbraw/zinc/93/39/12/847933912.db2.gz OCLHRHCYJSKUCO-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1-c1cccc(Cl)c1 ZINC000612623904 848690026 /nfs/dbraw/zinc/69/00/26/848690026.db2.gz ZIOBVGJNMUVZDI-UHFFFAOYSA-N -1 0 392.824 3.748 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000503915324 849775078 /nfs/dbraw/zinc/77/50/78/849775078.db2.gz AYCMLWZLXODATM-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cnn1C1CCCC1 ZINC000435722602 850807609 /nfs/dbraw/zinc/80/76/09/850807609.db2.gz NRZHHAFRTZFPFR-UHFFFAOYSA-N -1 0 378.454 3.632 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(Oc2ccccn2)cc1 ZINC000505310370 850822697 /nfs/dbraw/zinc/82/26/97/850822697.db2.gz FMGWDZJJCCRVLN-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(Cl)c1 ZINC000436147801 851261804 /nfs/dbraw/zinc/26/18/04/851261804.db2.gz AVXGOCDWXMXLCW-UHFFFAOYSA-N -1 0 388.804 3.975 20 5 GHBDRM O=C(NCc1ccccc1OCc1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505782755 851390865 /nfs/dbraw/zinc/39/08/65/851390865.db2.gz OOAIWHSZPRVSIF-UHFFFAOYSA-N -1 0 378.384 3.809 20 5 GHBDRM COc1cc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1OC1CCCC1 ZINC000505784587 851408714 /nfs/dbraw/zinc/40/87/14/851408714.db2.gz XZAIIJAUZIHRHI-UHFFFAOYSA-N -1 0 386.404 3.560 20 5 GHBDRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000171479533 862288434 /nfs/dbraw/zinc/28/84/34/862288434.db2.gz IVMXNERPXLDMNW-LBPRGKRZSA-N -1 0 396.852 3.637 20 5 GHBDRM Cc1ccc(Cc2n[n-]c(=NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000517473177 851988309 /nfs/dbraw/zinc/98/83/09/851988309.db2.gz LEAGSEVIQASTOA-CYBMUJFWSA-N -1 0 397.460 3.650 20 5 GHBDRM C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436640870 852149524 /nfs/dbraw/zinc/14/95/24/852149524.db2.gz ZIENTLHJHNFAKF-SNVBAGLBSA-N -1 0 384.310 3.517 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000436669456 852168099 /nfs/dbraw/zinc/16/80/99/852168099.db2.gz LSYOEXHGHVWRRL-OAHLLOKOSA-N -1 0 378.837 3.884 20 5 GHBDRM O=[N+]([O-])c1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000516109671 852177584 /nfs/dbraw/zinc/17/75/84/852177584.db2.gz PCVUHBGLGVJSMY-UHFFFAOYSA-N -1 0 394.302 3.935 20 5 GHBDRM CC(=O)c1ccc([O-])c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000436678359 852186560 /nfs/dbraw/zinc/18/65/60/852186560.db2.gz GNOSNJYGEDWCHH-UHFFFAOYSA-N -1 0 383.385 3.879 20 5 GHBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436743670 852263590 /nfs/dbraw/zinc/26/35/90/852263590.db2.gz ZBJIVVNYDRYJPT-UHFFFAOYSA-N -1 0 397.200 3.517 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc(OC2CCCC2)cc1 ZINC000516332435 852431743 /nfs/dbraw/zinc/43/17/43/852431743.db2.gz CCJYIKXHWCPAJQ-UHFFFAOYSA-N -1 0 380.397 3.856 20 5 GHBDRM COc1ccc(F)cc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000507021669 852454417 /nfs/dbraw/zinc/45/44/17/852454417.db2.gz KNZLOCQDSBDDOX-UHFFFAOYSA-N -1 0 395.195 3.850 20 5 GHBDRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000126528831 852512950 /nfs/dbraw/zinc/51/29/50/852512950.db2.gz QKPJWXDOXWWAJH-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436961773 852533696 /nfs/dbraw/zinc/53/36/96/852533696.db2.gz CLYSFSVJAXWPAG-UHFFFAOYSA-N -1 0 383.282 3.530 20 5 GHBDRM O=C(Nc1ccccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1cccs1 ZINC000436959864 852550799 /nfs/dbraw/zinc/55/07/99/852550799.db2.gz ISPBGPGPKUPRRV-UHFFFAOYSA-N -1 0 383.385 3.867 20 5 GHBDRM Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436976941 852564198 /nfs/dbraw/zinc/56/41/98/852564198.db2.gz BAEBYNXTGDYRMN-SFHVURJKSA-N -1 0 392.415 3.983 20 5 GHBDRM CC[C@](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507310152 852769457 /nfs/dbraw/zinc/76/94/57/852769457.db2.gz SMNQZBFSUFQECU-GOSISDBHSA-N -1 0 376.796 3.677 20 5 GHBDRM Cc1cc(Br)cc2c1CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)CC2 ZINC000507336448 852784911 /nfs/dbraw/zinc/78/49/11/852784911.db2.gz LVTMINZVXLDDJV-UHFFFAOYSA-N -1 0 391.221 3.570 20 5 GHBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000732613205 862392735 /nfs/dbraw/zinc/39/27/35/862392735.db2.gz DFUOZRIFCRZNKC-UHFFFAOYSA-N -1 0 396.424 3.689 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2nnc(CC3CCCCC3)s2)cc1[N+](=O)[O-] ZINC000437192690 852831756 /nfs/dbraw/zinc/83/17/56/852831756.db2.gz FEBRASRPROWOAM-UHFFFAOYSA-N -1 0 396.494 3.678 20 5 GHBDRM COc1ccccc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000438812474 852875055 /nfs/dbraw/zinc/87/50/55/852875055.db2.gz OVVLDXJYUJKVLS-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000438810736 852893232 /nfs/dbraw/zinc/89/32/32/852893232.db2.gz YGCHDKUSJVVSCI-UHFFFAOYSA-N -1 0 383.159 3.981 20 5 GHBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000427336689 852993710 /nfs/dbraw/zinc/99/37/10/852993710.db2.gz SDYQRUZKMSIKEO-UHFFFAOYSA-N -1 0 393.446 3.712 20 5 GHBDRM O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506476020 853230850 /nfs/dbraw/zinc/23/08/50/853230850.db2.gz ZVCOBUBXGXZTPL-MUUNZHRXSA-N -1 0 396.424 3.861 20 5 GHBDRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000518586404 853541618 /nfs/dbraw/zinc/54/16/18/853541618.db2.gz VTSYUGYZNYAAJB-UHFFFAOYSA-N -1 0 388.449 3.772 20 5 GHBDRM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000018707197 853791429 /nfs/dbraw/zinc/79/14/29/853791429.db2.gz VXKFGLKRNSYMIS-UHFFFAOYSA-N -1 0 398.824 3.534 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000466963732 853908554 /nfs/dbraw/zinc/90/85/54/853908554.db2.gz LHYDBEXNCMTHQY-UHFFFAOYSA-N -1 0 382.341 3.664 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000588906015 854563587 /nfs/dbraw/zinc/56/35/87/854563587.db2.gz BPTJZXNCFYZBOS-UHFFFAOYSA-N -1 0 389.207 3.758 20 5 GHBDRM O=c1[nH]c(C(Cl)=Cc2ccc([O-])c([N+](=O)[O-])c2)nc2ccc(Cl)cc12 ZINC000229963904 862583927 /nfs/dbraw/zinc/58/39/27/862583927.db2.gz NXWQHYPSQYXTEV-VZUCSPMQSA-N -1 0 378.171 3.927 20 5 GHBDRM O=C(Cc1c[nH]c2cccc(Br)c12)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166198283 855502578 /nfs/dbraw/zinc/50/25/78/855502578.db2.gz DRNJUVXEFVDRJJ-UHFFFAOYSA-N -1 0 390.193 3.725 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c2ncccc12 ZINC000184774250 855827984 /nfs/dbraw/zinc/82/79/84/855827984.db2.gz ORTMGGPYGNJZCO-UHFFFAOYSA-N -1 0 395.343 3.545 20 5 GHBDRM C[C@@H](NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC000591269832 855874704 /nfs/dbraw/zinc/87/47/04/855874704.db2.gz WMKRRALXSJQJDE-CQSZACIVSA-N -1 0 397.431 3.943 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3s2)cc1[N+](=O)[O-] ZINC000171152411 855991063 /nfs/dbraw/zinc/99/10/63/855991063.db2.gz JSROOMYMAQMXKK-UHFFFAOYSA-N -1 0 399.837 3.667 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc2cccnc21 ZINC000427645060 856400547 /nfs/dbraw/zinc/40/05/47/856400547.db2.gz BPUJIKCPFOTMLV-UHFFFAOYSA-N -1 0 387.417 3.569 20 5 GHBDRM COCc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(C(=O)[O-])c1 ZINC000427706260 856618229 /nfs/dbraw/zinc/61/82/29/856618229.db2.gz SNFJYLXGFQRSHU-UHFFFAOYSA-N -1 0 398.293 3.711 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1CC(F)(F)F ZINC000172901811 856651319 /nfs/dbraw/zinc/65/13/19/856651319.db2.gz VIFKMTUZKJKKFG-UHFFFAOYSA-N -1 0 390.339 3.509 20 5 GHBDRM CC(C)(CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000509207508 862828515 /nfs/dbraw/zinc/82/85/15/862828515.db2.gz AWWNOJHZHAUOSO-UHFFFAOYSA-N -1 0 393.237 3.771 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n[nH]c1C(C)C ZINC000592385243 856828158 /nfs/dbraw/zinc/82/81/58/856828158.db2.gz WTMDRJHVCVCHAO-UHFFFAOYSA-N -1 0 392.359 3.569 20 5 GHBDRM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000428019322 857000326 /nfs/dbraw/zinc/00/03/26/857000326.db2.gz DBCMOTCMHWTOPB-CYBMUJFWSA-N -1 0 389.839 3.519 20 5 GHBDRM O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000428205797 857204246 /nfs/dbraw/zinc/20/42/46/857204246.db2.gz IVZWKFFBQJGNKD-UHFFFAOYSA-N -1 0 394.265 3.622 20 5 GHBDRM O=C([O-])c1cc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)ccc1[N+](=O)[O-] ZINC000574043868 857226081 /nfs/dbraw/zinc/22/60/81/857226081.db2.gz WOWQPXKZXXMHHG-MRXNPFEDSA-N -1 0 396.321 3.890 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4c(n3)CCCC4)c2)cc1 ZINC000108639460 857342283 /nfs/dbraw/zinc/34/22/83/857342283.db2.gz WIKMBQLZRNTNPF-UHFFFAOYSA-N -1 0 398.444 3.595 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)cc1C ZINC000486080397 857399846 /nfs/dbraw/zinc/39/98/46/857399846.db2.gz OBMYPQSSUWJHMZ-UHFFFAOYSA-N -1 0 388.445 3.995 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000174972629 857416760 /nfs/dbraw/zinc/41/67/60/857416760.db2.gz HHARCOBOSPIHEK-UHFFFAOYSA-N -1 0 379.781 3.704 20 5 GHBDRM CCCc1nc(C)c([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000486132881 857447436 /nfs/dbraw/zinc/44/74/36/857447436.db2.gz ZVUFGFOFOQNUIB-UHFFFAOYSA-N -1 0 375.859 3.766 20 5 GHBDRM C[C@@H](N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(NC(=O)C2CC2)cc1 ZINC000486128523 857458165 /nfs/dbraw/zinc/45/81/65/857458165.db2.gz MTPHMXTUNMOZFZ-GFCCVEGCSA-N -1 0 393.403 3.588 20 5 GHBDRM CCCc1c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000442243630 857647930 /nfs/dbraw/zinc/64/79/30/857647930.db2.gz QXLSILLTUMBBII-UHFFFAOYSA-N -1 0 386.433 3.534 20 5 GHBDRM Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442236528 857662331 /nfs/dbraw/zinc/66/23/31/857662331.db2.gz KWNDFRXYDLHFRV-CQSZACIVSA-N -1 0 386.433 3.510 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000593734071 857670273 /nfs/dbraw/zinc/67/02/73/857670273.db2.gz NPPANWWOGHUAOZ-QGZVFWFLSA-N -1 0 394.786 3.659 20 5 GHBDRM COc1cc(C(=O)NCc2c(C(=O)[O-])sc3ccsc32)ccc1[N+](=O)[O-] ZINC000486390973 857702881 /nfs/dbraw/zinc/70/28/81/857702881.db2.gz AQEIWBBYKOIVPQ-UHFFFAOYSA-N -1 0 392.414 3.508 20 5 GHBDRM O=C([O-])c1ccccc1CC1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000574521882 858041900 /nfs/dbraw/zinc/04/19/00/858041900.db2.gz MNOJPAXWUGQNKI-UHFFFAOYSA-N -1 0 380.404 3.628 20 5 GHBDRM CC[C@H](c1n[n-]c(=NC(=O)c2ccc([N+](=O)[O-])c(C)c2)s1)c1ccccc1 ZINC000521633210 858181804 /nfs/dbraw/zinc/18/18/04/858181804.db2.gz WCRITPSDWIQVKL-HNNXBMFYSA-N -1 0 382.445 3.971 20 5 GHBDRM Cc1cc(N2CCC[C@H]2c2nccc(C(F)(F)F)n2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000594735584 858268513 /nfs/dbraw/zinc/26/85/13/858268513.db2.gz JRIYGCFNSMUOFW-LBPRGKRZSA-N -1 0 396.325 3.752 20 5 GHBDRM Cc1cc(N2CCC[C@@H]2c2nccc(C(F)(F)F)n2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000594736206 858268603 /nfs/dbraw/zinc/26/86/03/858268603.db2.gz LJTXTBMDTMSXLV-LLVKDONJSA-N -1 0 396.325 3.752 20 5 GHBDRM CC(C)C[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)CC(=O)[O-] ZINC000595261549 858456924 /nfs/dbraw/zinc/45/69/24/858456924.db2.gz VJRSWMRVCPYUPL-INIZCTEOSA-N -1 0 379.457 3.652 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)c1C ZINC000543163029 858691165 /nfs/dbraw/zinc/69/11/65/858691165.db2.gz WLGYLUGQBZKAKB-LBPRGKRZSA-N -1 0 392.433 3.591 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CS(=O)(=O)Cc1csc(C2CCCC2)n1 ZINC000593203553 858952245 /nfs/dbraw/zinc/95/22/45/858952245.db2.gz ORVJVHUBVYJDMX-UHFFFAOYSA-N -1 0 382.463 3.530 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000130695976 881369800 /nfs/dbraw/zinc/36/98/00/881369800.db2.gz JUMZTBWKDWNDIT-UHFFFAOYSA-N -1 0 381.363 3.850 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000124747872 859631642 /nfs/dbraw/zinc/63/16/42/859631642.db2.gz DSSJXCLKSOCHNQ-UHFFFAOYSA-N -1 0 394.302 3.562 20 5 GHBDRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000474440054 860103436 /nfs/dbraw/zinc/10/34/36/860103436.db2.gz PZIMFVIETMMSAS-UHFFFAOYSA-N -1 0 376.731 3.531 20 5 GHBDRM Cc1cc([C@@H]2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C2)c(O)cc1Cl ZINC000598331095 860239960 /nfs/dbraw/zinc/23/99/60/860239960.db2.gz NPVBSFLSSHOGSH-GFCCVEGCSA-N -1 0 376.796 3.598 20 5 GHBDRM O=C(Nc1ccc2c(c1)N(CC(F)F)CCS2)c1cccc([O-])c1[N+](=O)[O-] ZINC000552395686 860522671 /nfs/dbraw/zinc/52/26/71/860522671.db2.gz PNKVYBCEOMOOGE-UHFFFAOYSA-N -1 0 395.387 3.730 20 5 GHBDRM COc1ccc(OC)c([C@H]2CCCN2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC000593729510 861093100 /nfs/dbraw/zinc/09/31/00/861093100.db2.gz BGZJDNXFORKZDA-GOSISDBHSA-N -1 0 386.404 3.647 20 5 GHBDRM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])c2)n1 ZINC000480233702 864320738 /nfs/dbraw/zinc/32/07/38/864320738.db2.gz ZWGSGEFSQCODOF-UHFFFAOYSA-N -1 0 398.444 3.778 20 5 GHBDRM CCCCn1ncc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1C(C)C ZINC000480253760 864335297 /nfs/dbraw/zinc/33/52/97/864335297.db2.gz WSRIZHZKJSCXHA-UHFFFAOYSA-N -1 0 384.433 3.655 20 5 GHBDRM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 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RWPKYPBYLMMSLY-UHFFFAOYSA-N -1 0 380.429 3.827 20 5 GHBDRM CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)sc2C1 ZINC000523771744 867936776 /nfs/dbraw/zinc/93/67/76/867936776.db2.gz LQYLGPYVPOJFNY-LLVKDONJSA-N -1 0 381.479 3.675 20 5 GHBDRM COc1ccc(Br)cc1-c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000445206424 867955397 /nfs/dbraw/zinc/95/53/97/867955397.db2.gz GGOCTQBKODRBQB-UHFFFAOYSA-N -1 0 392.165 3.789 20 5 GHBDRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000594729674 868395285 /nfs/dbraw/zinc/39/52/85/868395285.db2.gz RGYLORSXQCQQTA-UHFFFAOYSA-N -1 0 389.355 3.680 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2ccc(CN=c3[n-]nc(Cc4ccccc4)o3)o2)c1 ZINC000479762489 868486168 /nfs/dbraw/zinc/48/61/68/868486168.db2.gz JBQXREABTFCZQB-UHFFFAOYSA-N -1 0 376.372 3.863 20 5 GHBDRM CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000524297494 868863662 /nfs/dbraw/zinc/86/36/62/868863662.db2.gz AVGCRELUONVDGS-NSHDSACASA-N -1 0 386.861 3.853 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)s1 ZINC000479999084 868880736 /nfs/dbraw/zinc/88/07/36/868880736.db2.gz PFGJQTAYPHNHHC-AWEZNQCLSA-N -1 0 382.438 3.710 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)cc1Cl ZINC000462384307 869351020 /nfs/dbraw/zinc/35/10/20/869351020.db2.gz OJVQPTWENCLHLF-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccnc1N1CCCCC1 ZINC000539774293 869761648 /nfs/dbraw/zinc/76/16/48/869761648.db2.gz OQPJEWYQDYUDCQ-UHFFFAOYSA-N -1 0 376.800 3.591 20 5 GHBDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000446625812 870142415 /nfs/dbraw/zinc/14/24/15/870142415.db2.gz VWMTVOUYCKMPIB-UHFFFAOYSA-N -1 0 382.463 3.743 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000446762030 870355310 /nfs/dbraw/zinc/35/53/10/870355310.db2.gz MYRRLDJJJZWHIT-UHFFFAOYSA-N -1 0 391.232 3.852 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2nnc(C[C@H](C)CC(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000446779597 870392885 /nfs/dbraw/zinc/39/28/85/870392885.db2.gz ABAVSBNLCHKEAQ-LBPRGKRZSA-N -1 0 396.469 3.702 20 5 GHBDRM Cc1nc(COc2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC000538870272 870793685 /nfs/dbraw/zinc/79/36/85/870793685.db2.gz SQAURBDIAKHFHW-UHFFFAOYSA-N -1 0 385.401 3.897 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1F ZINC000181332656 870827222 /nfs/dbraw/zinc/82/72/22/870827222.db2.gz AXAMPTOFRHMJHY-UHFFFAOYSA-N -1 0 394.302 3.562 20 5 GHBDRM O=C(Nc1cc(C2CC2)ccn1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000794101813 882570580 /nfs/dbraw/zinc/57/05/80/882570580.db2.gz PHQYIELQAYXUNL-UHFFFAOYSA-N -1 0 399.794 3.664 20 5 GHBDRM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000463800066 872648584 /nfs/dbraw/zinc/64/85/84/872648584.db2.gz ZJBVNWGJIGUETM-UHFFFAOYSA-N -1 0 389.458 3.974 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)cc1C(F)(F)F ZINC000619507105 872693675 /nfs/dbraw/zinc/69/36/75/872693675.db2.gz CNWJDYCYWYCWTE-UHFFFAOYSA-N -1 0 394.302 3.562 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cc1C ZINC000742231846 872844733 /nfs/dbraw/zinc/84/47/33/872844733.db2.gz AXPRPKDMDLOHIC-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)cc1[N+](=O)[O-] ZINC000541073349 872856922 /nfs/dbraw/zinc/85/69/22/872856922.db2.gz SYURPFAZTXRZSH-UHFFFAOYSA-N -1 0 381.841 3.631 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)sc1C(F)(F)F ZINC000619670762 872859547 /nfs/dbraw/zinc/85/95/47/872859547.db2.gz RVZXBXOJDROJDT-UHFFFAOYSA-N -1 0 395.384 3.796 20 5 GHBDRM CCC[C@@H]1CCc2nc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)sc2C1 ZINC000768856713 873597739 /nfs/dbraw/zinc/59/77/39/873597739.db2.gz DRUVLTUTDUBXBT-SECBINFHSA-N -1 0 387.508 3.819 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1CSc1n[n-]c(=NCCc2ccccc2)s1 ZINC000609140646 874385370 /nfs/dbraw/zinc/38/53/70/874385370.db2.gz RLLWMEBTDCZYJT-UHFFFAOYSA-N -1 0 390.465 3.954 20 5 GHBDRM 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CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n(C(C)(C)C)n1 ZINC000409581709 924786980 /nfs/dbraw/zinc/78/69/80/924786980.db2.gz MHPIKYOZDXMDND-UHFFFAOYSA-N -1 0 380.470 3.645 20 5 GHBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000410407783 925624549 /nfs/dbraw/zinc/62/45/49/925624549.db2.gz YYBGAFBUTIVYTD-UHFFFAOYSA-N -1 0 388.804 3.895 20 5 GHBDRM CSc1cccc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)c1[N+](=O)[O-] ZINC000375316226 928157806 /nfs/dbraw/zinc/15/78/06/928157806.db2.gz CRMMQDMVDFCVAQ-UHFFFAOYSA-N -1 0 378.460 3.571 20 5 GHBDRM O=C([O-])c1ccccc1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000375351678 928202230 /nfs/dbraw/zinc/20/22/30/928202230.db2.gz DSIOVOVZFBBKNH-UHFFFAOYSA-N -1 0 388.807 3.966 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1O ZINC000753959973 929611884 /nfs/dbraw/zinc/61/18/84/929611884.db2.gz AVYHFFYRAFUNJG-UHFFFAOYSA-N -1 0 377.205 3.716 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O ZINC000758162166 929953883 /nfs/dbraw/zinc/95/38/83/929953883.db2.gz LEQXMYMIYLQEOE-UHFFFAOYSA-N -1 0 381.168 3.547 20 5 GHBDRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc1C ZINC000759110032 930276662 /nfs/dbraw/zinc/27/66/62/930276662.db2.gz VCYSYUAAAXLWHE-UHFFFAOYSA-N -1 0 382.825 3.868 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Br ZINC000782263772 931146209 /nfs/dbraw/zinc/14/62/09/931146209.db2.gz NTGIBQJSKDFGHW-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM CSc1c(F)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1F ZINC000783856163 931693192 /nfs/dbraw/zinc/69/31/92/931693192.db2.gz RDICMWNWDIYOJT-UHFFFAOYSA-N -1 0 392.380 3.843 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000558047749 931814215 /nfs/dbraw/zinc/81/42/15/931814215.db2.gz DMNDCOOMICQTLU-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM CCOc1cc(CN(C)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1OC(F)F ZINC000558577258 932083083 /nfs/dbraw/zinc/08/30/83/932083083.db2.gz LKGKRIMIYKQHII-UHFFFAOYSA-N -1 0 396.346 3.930 20 5 GHBDRM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]c2ccccc2OC(F)F)cc1Cl ZINC000798246342 932575356 /nfs/dbraw/zinc/57/53/56/932575356.db2.gz BDDUYRFULCBNIL-UHFFFAOYSA-N -1 0 396.730 3.790 20 5 GHBDRM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798279660 932591213 /nfs/dbraw/zinc/59/12/13/932591213.db2.gz RWOQXPFHLAULOH-DGCLKSJQSA-N -1 0 392.843 3.790 20 5 GHBDRM Cc1c(NC(=O)[C@H](C)OC(=O)c2cc([S-])ccc2F)cccc1[N+](=O)[O-] ZINC000798719223 932753202 /nfs/dbraw/zinc/75/32/02/932753202.db2.gz KGKGYXWTMOCSQB-JTQLQIEISA-N -1 0 378.381 3.515 20 5 GHBDRM CC(=C([O-])Nc1nc(-c2cccc(Cl)c2)ns1)c1cccc([N+](=O)[O-])c1 ZINC000562400449 934851714 /nfs/dbraw/zinc/85/17/14/934851714.db2.gz YQNMLLIQPAEQLZ-JTQLQIEISA-N -1 0 388.836 3.931 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001589561293 948813264 /nfs/dbraw/zinc/81/32/64/948813264.db2.gz QKFDSDWNFAIBOY-MDASCCDHSA-N -1 0 382.416 3.593 20 5 GHBDRM O=C([O-])[C@H]1CCCN(c2ccc(CN(Cc3ccc([N+](=O)[O-])cc3)C3CC3)o2)C1 ZINC001594919007 954789935 /nfs/dbraw/zinc/78/99/35/954789935.db2.gz YJWBDELPNHMJQU-INIZCTEOSA-N -1 0 399.447 3.653 20 5 GHBDRM Cc1c(NC(=O)c2coc(/C=C\C(=O)[O-])c2)cc(Br)cc1[N+](=O)[O-] ZINC001594267179 959748075 /nfs/dbraw/zinc/74/80/75/959748075.db2.gz RGWVUTWYFNRJON-IHWYPQMZSA-N -1 0 395.165 3.609 20 5 GHBDRM O=C([O-])Cc1ccc(N2CCO[C@H](c3ccc(Cl)s3)C2)c([N+](=O)[O-])c1 ZINC001326369200 961083250 /nfs/dbraw/zinc/08/32/50/961083250.db2.gz CWMOFSAULPYDBX-ZDUSSCGKSA-N -1 0 382.825 3.515 20 5 GHBDRM O=C([O-])Cc1ccc(N2CCC(c3nc4ccccc4o3)CC2)c([N+](=O)[O-])c1 ZINC001326421015 961088852 /nfs/dbraw/zinc/08/88/52/961088852.db2.gz MRQQFEDUNVEQIN-UHFFFAOYSA-N -1 0 381.388 3.747 20 5 GHBDRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)Cc3ccccc3[N+](=O)[O-])sc2[C@H](C)O1 ZINC001610101203 970668456 /nfs/dbraw/zinc/66/84/56/970668456.db2.gz QANZZIKCODATOS-ZJUUUORDSA-N -1 0 390.417 3.558 20 5 GHBDRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001605831380 972566650 /nfs/dbraw/zinc/56/66/50/972566650.db2.gz OQLRKRZBOIFUGC-OCCSQVGLSA-N -1 0 386.429 3.729 20 5 GHBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001603653546 974021844 /nfs/dbraw/zinc/02/18/44/974021844.db2.gz ZRRMVJWYRRVCFZ-TZMCWYRMSA-N -1 0 380.466 3.670 20 5 GHBDRM CC(C)Oc1c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cccc1C(=O)[O-] ZINC001591746925 975787186 /nfs/dbraw/zinc/78/71/86/975787186.db2.gz VJSJFLPTNBSCIT-UHFFFAOYSA-N -1 0 378.768 3.986 20 5 GHBDRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001592606198 978553895 /nfs/dbraw/zinc/55/38/95/978553895.db2.gz WERVYLHDIMKABX-LBPRGKRZSA-N -1 0 376.796 3.611 20 5 GHBDRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000832848015 979049680 /nfs/dbraw/zinc/04/96/80/979049680.db2.gz JALAPDXNZDVOCI-UHFFFAOYSA-N -1 0 393.193 3.545 20 5 GHBDRM C[C@H](CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001592675325 979088543 /nfs/dbraw/zinc/08/85/43/979088543.db2.gz QOTDGOJMZWWNJJ-LLVKDONJSA-N -1 0 382.376 3.700 20 5 GHBDRM C[C@](CNc1ccc([N+](=O)[O-])cc1Br)(C(=O)[O-])c1ccccc1 ZINC001592729259 979241680 /nfs/dbraw/zinc/24/16/80/979241680.db2.gz KFEOPAIAELXRAY-MRXNPFEDSA-N -1 0 379.210 3.812 20 5 GHBDRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)c1nc(C)cs1 ZINC001595251505 980212666 /nfs/dbraw/zinc/21/26/66/980212666.db2.gz CNRDWHBANFQCHG-LLVKDONJSA-N -1 0 378.410 3.639 20 5 GHBDRM CC[C@](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)(C(=O)[O-])c1ccccc1 ZINC001595305896 980452785 /nfs/dbraw/zinc/45/27/85/980452785.db2.gz YLIVGTBBZLYZHD-HXUWFJFHSA-N -1 0 381.388 3.730 20 5 GHBDRM CCCCNC(=O)c1ccc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001595759375 982465399 /nfs/dbraw/zinc/46/53/99/982465399.db2.gz WZJZDOORXODRSI-YRNVUSSQSA-N -1 0 397.431 3.835 20 5 GHBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001589000590 984940932 /nfs/dbraw/zinc/94/09/32/984940932.db2.gz BELGWGRHOIGTBM-LUJNMSEFSA-N -1 0 388.807 3.984 20 5 GHBDRM Cc1[nH]c2ccccc2c1C1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001599965656 985900381 /nfs/dbraw/zinc/90/03/81/985900381.db2.gz QIPOCYBPCGHGRQ-UHFFFAOYSA-N -1 0 380.404 3.862 20 5 GHBDRM CCOc1ccc(C(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])cc1[N+](=O)[O-] ZINC001597062438 986555978 /nfs/dbraw/zinc/55/59/78/986555978.db2.gz XSLBRXOKEHLPTF-UHFFFAOYSA-N -1 0 378.768 3.906 20 5 GHBDRM C[C@H](C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)c1cccc([N+](=O)[O-])c1 ZINC001589406903 986595022 /nfs/dbraw/zinc/59/50/22/986595022.db2.gz LCSGPFJDHGAHKC-SUMWQHHRSA-N -1 0 382.416 3.633 20 5 GHBDRM CCOc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])c(C(=O)[O-])c1F ZINC001597117440 986792151 /nfs/dbraw/zinc/79/21/51/986792151.db2.gz HVFCVOKOSNTDOD-UHFFFAOYSA-N -1 0 394.380 3.562 20 5 GHBDRM C[C@@H](C(=O)O[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001589539971 987238423 /nfs/dbraw/zinc/23/84/23/987238423.db2.gz GZEKVHZEDPDZHL-HWPZZCPQSA-N -1 0 395.770 3.730 20 5 GHBDRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001589541119 987252283 /nfs/dbraw/zinc/25/22/83/987252283.db2.gz YWLVCXZLXNOAGD-RFAUZJTJSA-N -1 0 381.743 3.860 20 5 GHBDRM CC[C@H](NC(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1cccc([N+](=O)[O-])c1 ZINC001597334353 987469865 /nfs/dbraw/zinc/46/98/65/987469865.db2.gz OWCCTFAGNXILGC-SFHVURJKSA-N -1 0 383.404 3.512 20 5 GHBDRM CCc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)no2)cc1 ZINC001597491778 988021084 /nfs/dbraw/zinc/02/10/84/988021084.db2.gz CFEUBZQKVUUDHH-UHFFFAOYSA-N -1 0 381.344 3.763 20 5 GHBDRM CC(C)C(=O)c1ccc([C@H](C)C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001590949301 991006511 /nfs/dbraw/zinc/00/65/11/991006511.db2.gz OQRPWNCLKIAEOH-LBPRGKRZSA-N -1 0 385.372 3.841 20 5 GHBDRM COc1ccccc1C[C@@H]1CCC[C@@H]1OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599710907 991368558 /nfs/dbraw/zinc/36/85/58/991368558.db2.gz WHQZUGXXDKQYLY-LIRRHRJNSA-N -1 0 399.399 3.870 20 5 GHBDRM CN(CC(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl)c1ccccc1[N+](=O)[O-] ZINC001598396694 991661397 /nfs/dbraw/zinc/66/13/97/991661397.db2.gz FRCUANADLLHIBF-UHFFFAOYSA-N -1 0 398.202 3.675 20 5 GHBDRM CN(CCCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])C(=O)OC(C)(C)C ZINC001598482414 992173690 /nfs/dbraw/zinc/17/36/90/992173690.db2.gz AEQROLXUSOYBGC-UHFFFAOYSA-N -1 0 387.820 3.615 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001591266782 992182229 /nfs/dbraw/zinc/18/22/29/992182229.db2.gz RRUHGMJGKFJEKN-OKILXGFUSA-N -1 0 380.466 3.668 20 5 GHBDRM CN(Cc1ccc(OCC(=O)[O-])cc1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001598523677 992691297 /nfs/dbraw/zinc/69/12/97/992691297.db2.gz CIFDZGDJBMUAEU-UHFFFAOYSA-N -1 0 393.399 3.757 20 5 GHBDRM C[C@@](NC(=O)c1cc(Cl)c2ccccc2n1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593156624 993976460 /nfs/dbraw/zinc/97/64/60/993976460.db2.gz VNHFBVIURWEFSN-IBGZPJMESA-N -1 0 399.790 3.526 20 5 GHBDRM COc1cccc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)c1[N+](=O)[O-] ZINC001599642290 994375910 /nfs/dbraw/zinc/37/59/10/994375910.db2.gz BWVSRYFMHFMMDK-UHFFFAOYSA-N -1 0 390.417 3.564 20 5 GHBDRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000545445113 1015876637 /nfs/dbraw/zinc/87/66/37/1015876637.db2.gz KXWZEIWEFNBBFO-UHFFFAOYSA-N -1 0 385.159 3.631 20 5 GHBDRM COc1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1OC(C)C ZINC000545474137 1015912845 /nfs/dbraw/zinc/91/28/45/1015912845.db2.gz ZLPOFBGDTXHOAY-UHFFFAOYSA-N -1 0 394.449 3.808 20 5 GHBDRM CC1(C)CCC[C@](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])(C(=O)[O-])C1 ZINC001593892432 996741170 /nfs/dbraw/zinc/74/11/70/996741170.db2.gz MVMOUNIPIJOWRR-MRXNPFEDSA-N -1 0 388.342 3.767 20 5 GHBDRM COc1cc(CSc2nc(C(=O)[O-])cs2)c([N+](=O)[O-])cc1OC(F)F 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WVULBZTZMFLQEZ-NJHPPEEMSA-N -1 0 382.372 3.981 20 5 GHBDRM Cc1cccc(CS(=O)(=O)[N-]c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000545853211 1016523567 /nfs/dbraw/zinc/52/35/67/1016523567.db2.gz CMZIODFRNVAGGY-UHFFFAOYSA-N -1 0 389.458 3.969 20 5 GHBDRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001141110686 1023524459 /nfs/dbraw/zinc/52/44/59/1023524459.db2.gz SQZVPKSYWVJRKU-INIZCTEOSA-N -1 0 392.415 3.506 20 5 GHBDRM CC(C)(C)OC(=O)N1CCC2(CC[C@@H]2Oc2cc(O)cc([O-])c2[N+](=O)[O-])CC1 ZINC001228968147 1033206952 /nfs/dbraw/zinc/20/69/52/1033206952.db2.gz HRUOGEVHSDHHTM-HNNXBMFYSA-N -1 0 394.424 3.565 20 5 GHBDRM O=C(N[C@H]1CCOc2c(Cl)c(Cl)ccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC001140084291 1026860956 /nfs/dbraw/zinc/86/09/56/1026860956.db2.gz ZIYGTQJYEANWDJ-LBPRGKRZSA-N -1 0 383.187 3.861 20 5 GHBDRM Cc1ccc(C(=O)NCc2cccnc2)cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210397802 1027488423 /nfs/dbraw/zinc/48/84/23/1027488423.db2.gz IIQCWLOQHBQSRR-UHFFFAOYSA-N -1 0 378.388 3.677 20 5 GHBDRM COc1cc([N+](=O)[O-])c(-c2nc(-c3ccc(Cl)c(OC)c3)no2)cc1[O-] ZINC001216343400 1029609430 /nfs/dbraw/zinc/60/94/30/1029609430.db2.gz AHNJDOMCBVRSRV-UHFFFAOYSA-N -1 0 377.740 3.688 20 5 GHBDRM COc1cc(Cl)cc(-c2noc(-c3cc([O-])c(OC)cc3[N+](=O)[O-])n2)c1 ZINC001216343579 1029609598 /nfs/dbraw/zinc/60/95/98/1029609598.db2.gz LKGWFNJBQITSAR-UHFFFAOYSA-N -1 0 377.740 3.688 20 5 GHBDRM COc1cc([N+](=O)[O-])c(-c2nc(-c3cc(F)c(F)c(F)c3F)no2)cc1[O-] ZINC001216343738 1029609655 /nfs/dbraw/zinc/60/96/55/1029609655.db2.gz SMEWFXWAYUPIQQ-UHFFFAOYSA-N -1 0 385.229 3.582 20 5 GHBDRM COc1cc([N+](=O)[O-])c(-c2nc(-c3cc(F)c(Cl)cc3F)no2)cc1[O-] ZINC001216343647 1029609837 /nfs/dbraw/zinc/60/98/37/1029609837.db2.gz PBDFGNITQKDDFD-UHFFFAOYSA-N -1 0 383.694 3.958 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2nc(-c3cccc(Br)c3F)no2)c1[O-] ZINC001216700965 1029734705 /nfs/dbraw/zinc/73/47/05/1029734705.db2.gz XLMSCDGJZPUEPS-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM COc1cc(-c2nc(-c3cc(Cl)c(F)cc3F)no2)cc([N+](=O)[O-])c1[O-] ZINC001216837112 1029955075 /nfs/dbraw/zinc/95/50/75/1029955075.db2.gz MEMVRTIKCXLSGP-UHFFFAOYSA-N -1 0 383.694 3.958 20 5 GHBDRM COc1cc(-c2nc(-c3cc(F)c(Cl)cc3F)no2)cc([N+](=O)[O-])c1[O-] ZINC001216837435 1029955420 /nfs/dbraw/zinc/95/54/20/1029955420.db2.gz XDXZTYONMPDVNA-UHFFFAOYSA-N -1 0 383.694 3.958 20 5 GHBDRM O=[N+]([O-])c1cccc([O-])c1-c1nc(-c2ncccc2OCc2ccccc2)no1 ZINC001216847301 1029961496 /nfs/dbraw/zinc/96/14/96/1029961496.db2.gz ZWHILUWSSNXAQS-UHFFFAOYSA-N -1 0 390.355 3.991 20 5 GHBDRM Cc1c(F)cc(-c2noc(-c3c[n-]c4ccc([N+](=O)[O-])cc4c3=O)n2)cc1F ZINC001217437941 1030391850 /nfs/dbraw/zinc/39/18/50/1030391850.db2.gz CKXOBJGKKREXRV-UHFFFAOYSA-N -1 0 384.298 3.740 20 5 GHBDRM O=c1cc(-c2nc(-c3cc(F)c(F)c(F)c3)no2)[n-]c2ccc([N+](=O)[O-])cc12 ZINC001217510020 1030452692 /nfs/dbraw/zinc/45/26/92/1030452692.db2.gz TXYSUUYTZBGVDM-UHFFFAOYSA-N -1 0 388.261 3.571 20 5 GHBDRM C[C@@H]1CC[C@@H](NC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])C[C@@H]1C ZINC001153875973 1031786757 /nfs/dbraw/zinc/78/67/57/1031786757.db2.gz CEENEPHWVWFLJO-NTZNESFSSA-N -1 0 392.843 3.694 20 5 GHBDRM CCCc1c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cnn1-c1ccc(C)cc1 ZINC001154244748 1032002402 /nfs/dbraw/zinc/00/24/02/1032002402.db2.gz FPHYMICSTFFZKL-UHFFFAOYSA-N -1 0 380.404 3.999 20 5 GHBDRM O=C(Nc1nccc2cc(Br)ccc21)c1cccc([N+](=O)[O-])c1[O-] ZINC001161421417 1035227600 /nfs/dbraw/zinc/22/76/00/1035227600.db2.gz IVQNPNQVKQYNSX-UHFFFAOYSA-N -1 0 388.177 3.863 20 5 GHBDRM O=[N+]([O-])c1ccccc1C=C([O-])c1nc(-c2cccc(-c3ccccn3)n2)no1 ZINC001248979086 1036260357 /nfs/dbraw/zinc/26/03/57/1036260357.db2.gz MALGYQLNOUHOFJ-UHFFFAOYSA-N -1 0 387.355 3.527 20 5 GHBDRM COc1cc(-c2noc(Cc3ccc([O-])c([N+](=O)[O-])c3)n2)cc(Cl)c1OC ZINC001247988636 1038527587 /nfs/dbraw/zinc/52/75/87/1038527587.db2.gz ZZRNLQQNGLHXQW-UHFFFAOYSA-N -1 0 391.767 3.612 20 5 GHBDRM O=[N+]([O-])c1ccc([C@@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C(F)(F)F)cc1 ZINC001234337235 1039972773 /nfs/dbraw/zinc/97/27/73/1039972773.db2.gz YQVXJOMOGFMPEF-CYBMUJFWSA-N -1 0 393.210 3.749 20 5 GHBDRM CC(C)=CCc1c([O-])cc2oc3ccc(O)cc3c(=O)c2c1OC1COCOC1 ZINC001234741259 1040268150 /nfs/dbraw/zinc/26/81/50/1040268150.db2.gz RDMDZWNFRFHNES-UHFFFAOYSA-N -1 0 398.411 3.618 20 5 GHBDRM CC(C)=CCc1c([O-])cc2oc3ccc(O)cc3c(=O)c2c1O[C@H](C)CON ZINC001234744073 1040270219 /nfs/dbraw/zinc/27/02/19/1040270219.db2.gz JVJWJTSDCFLWAT-GFCCVEGCSA-N -1 0 385.416 3.524 20 5 GHBDRM Cc1cc(=O)c2c(O[C@H](C)c3cc4c(cc3[N+](=O)[O-])OCO4)cc([O-])cc2o1 ZINC001234812682 1040342494 /nfs/dbraw/zinc/34/24/94/1040342494.db2.gz CGLFOXVDWGCNJJ-SNVBAGLBSA-N -1 0 385.328 3.584 20 5 GHBDRM O=C(Nc1cccc(Oc2cccnn2)c1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001293419709 1044166557 /nfs/dbraw/zinc/16/65/57/1044166557.db2.gz GXMKCUDFIWRCPZ-UHFFFAOYSA-N -1 0 386.751 3.788 20 5 GHBDRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)n1 ZINC001295621386 1045075585 /nfs/dbraw/zinc/07/55/85/1045075585.db2.gz SZOWAYAJMWEMGR-UHFFFAOYSA-N -1 0 392.415 3.560 20 5 GHBDRM O=S(=O)(CCc1cccc(F)c1)[N-]c1cccc2nc3ccccc3nc12 ZINC001259773054 1045297145 /nfs/dbraw/zinc/29/71/45/1045297145.db2.gz DZVFBLVSALAWKQ-UHFFFAOYSA-N -1 0 381.432 3.907 20 5 GHBDRM CC[C@H]1CCC[C@H]1CNC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001298060353 1045690618 /nfs/dbraw/zinc/69/06/18/1045690618.db2.gz SIGDOAGWSBIJGP-RYUDHWBXSA-N -1 0 392.843 3.696 20 5 GHBDRM C[C@@H](CNC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])C(C)(C)C ZINC001303708155 1047489519 /nfs/dbraw/zinc/48/95/19/1047489519.db2.gz RQOBMCOHPREARV-JTQLQIEISA-N -1 0 380.832 3.552 20 5 GHBDRM O=C([N-]CC(F)(F)c1ccc(F)cc1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001288584331 1049148263 /nfs/dbraw/zinc/14/82/63/1049148263.db2.gz NFMQKWARZOXVBZ-UHFFFAOYSA-N -1 0 392.255 3.873 20 5 GHBDRM O=C(NCc1ccccc1COCc1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001290950396 1049959217 /nfs/dbraw/zinc/95/92/17/1049959217.db2.gz MDIAPDRXHGJESC-UHFFFAOYSA-N -1 0 392.411 3.947 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccc(-c3cccs3)cc2)ccc1[O-] ZINC001309663697 1050908026 /nfs/dbraw/zinc/90/80/26/1050908026.db2.gz YJSVXAUAVUCHNW-UHFFFAOYSA-N -1 0 390.442 3.507 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nc3c(s2)C[C@@H](C)CC3)c1C ZINC001318242084 1054519832 /nfs/dbraw/zinc/51/98/32/1054519832.db2.gz WRDJRYCBDVDGFY-VIFPVBQESA-N -1 0 381.479 3.594 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccccc1Oc1ccncc1 ZINC001318520001 1054696138 /nfs/dbraw/zinc/69/61/38/1054696138.db2.gz FHIIMXXRNCAVMN-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM CC(C)(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])cc1F ZINC001325313531 1057310591 /nfs/dbraw/zinc/31/05/91/1057310591.db2.gz RMLHYBMZJDZJDO-UHFFFAOYSA-N -1 0 392.405 3.913 20 5 GHBDRM O=C(Nc1ccc(OCCc2ccccc2)nc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001443963677 1059241288 /nfs/dbraw/zinc/24/12/88/1059241288.db2.gz LJAOIVNKTAXIOF-UHFFFAOYSA-N -1 0 379.372 3.569 20 5 GHBDRM CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001452185731 1060911874 /nfs/dbraw/zinc/91/18/74/1060911874.db2.gz RZZXWQQTZWGYFS-UHFFFAOYSA-N -1 0 381.344 3.667 20 5 GHBDRM O=C(NCCc1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001545799732 1062005692 /nfs/dbraw/zinc/00/56/92/1062005692.db2.gz QTGBABDQNUWFFR-UHFFFAOYSA-N -1 0 392.411 3.852 20 5 GHBDRM Cc1ccc(CSc2nc([N-]C(=O)c3ccc([N+](=O)[O-])s3)n[nH]2)cc1 ZINC001457165680 1062995278 /nfs/dbraw/zinc/99/52/78/1062995278.db2.gz YORKHDHVFIOZHY-UHFFFAOYSA-N -1 0 375.435 3.627 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC[C@H]2c2ccc(Cl)cc2)ccc1[O-] ZINC001463705251 1064559708 /nfs/dbraw/zinc/55/97/08/1064559708.db2.gz NXQFGACWDVFBIK-HNNXBMFYSA-N -1 0 396.852 3.870 20 5 GHBDRM O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cccc([N+](=O)[O-])c1[O-] ZINC001467305171 1067213162 /nfs/dbraw/zinc/21/31/62/1067213162.db2.gz HDFZSRONVGZHMS-UHFFFAOYSA-N -1 0 390.808 3.648 20 5 GHBDRM CC[C@H](CN(CC)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC001475215539 1074790309 /nfs/dbraw/zinc/79/03/09/1074790309.db2.gz AICJEGNDMYXFML-CQSZACIVSA-N -1 0 378.450 3.505 20 5 GHBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000738202599 599852614 /nfs/dbraw/zinc/85/26/14/599852614.db2.gz IYUDELBOEGTTJE-INIZCTEOSA-N -1 0 399.428 3.744 20 5 GHBDRM C[C@H](Sc1nc2ccccc2c(=O)n1CCC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000736713895 599882698 /nfs/dbraw/zinc/88/26/98/599882698.db2.gz DTVFEEONVAXLMQ-LBPRGKRZSA-N -1 0 399.428 3.633 20 5 GHBDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000485713464 599928293 /nfs/dbraw/zinc/92/82/93/599928293.db2.gz VSJYJRVCDXJVPP-UHFFFAOYSA-N -1 0 383.360 3.814 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000013170986 600013887 /nfs/dbraw/zinc/01/38/87/600013887.db2.gz RWQIJKBPACLRAM-CQSZACIVSA-N -1 0 380.466 3.670 20 5 GHBDRM C[C@@](NCc1c(F)cccc1[N+](=O)[O-])(C(=O)[O-])c1cccc(Br)c1 ZINC000736664227 600080352 /nfs/dbraw/zinc/08/03/52/600080352.db2.gz LSDJCFHOOCPMSW-INIZCTEOSA-N -1 0 397.200 3.586 20 5 GHBDRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000736186578 600124693 /nfs/dbraw/zinc/12/46/93/600124693.db2.gz MEYOEOQTYDAJFD-NSHDSACASA-N -1 0 389.385 3.582 20 5 GHBDRM O=C([O-])c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c(OC(F)F)c1 ZINC000740160705 600188443 /nfs/dbraw/zinc/18/84/43/600188443.db2.gz HTWUABBTAHICBA-UHFFFAOYSA-N -1 0 383.332 3.703 20 5 GHBDRM COC(=O)c1cc(OCc2c3ccccc3sc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000737674781 600443881 /nfs/dbraw/zinc/44/38/81/600443881.db2.gz NTQQFXLIVSQAIK-UHFFFAOYSA-N -1 0 387.369 3.873 20 5 GHBDRM C[C@@H](Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000736703386 600462326 /nfs/dbraw/zinc/46/23/26/600462326.db2.gz SEHIWJNFZKCMQO-WDEREUQCSA-N -1 0 392.795 3.591 20 5 GHBDRM C[C@@H](Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000736703364 600462444 /nfs/dbraw/zinc/46/24/44/600462444.db2.gz RJLIDWOJGLMDOJ-SECBINFHSA-N -1 0 398.293 3.718 20 5 GHBDRM C[C@@H](NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000736703382 600462455 /nfs/dbraw/zinc/46/24/55/600462455.db2.gz SEHIWJNFZKCMQO-GHMZBOCLSA-N -1 0 392.795 3.591 20 5 GHBDRM Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(Cl)c1 ZINC000738357216 600462897 /nfs/dbraw/zinc/46/28/97/600462897.db2.gz BQUHMLLYXOLYCP-NSHDSACASA-N -1 0 392.795 3.969 20 5 GHBDRM C[C@@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000736550205 600591016 /nfs/dbraw/zinc/59/10/16/600591016.db2.gz CXHGXJNPNCAZDJ-UWVGGRQHSA-N -1 0 395.462 3.642 20 5 GHBDRM CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737348793 600600325 /nfs/dbraw/zinc/60/03/25/600600325.db2.gz QQZZAXLQYDWUMB-INIZCTEOSA-N -1 0 397.412 3.616 20 5 GHBDRM Cc1cccc(C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])c1[N+](=O)[O-] ZINC000486373241 600601695 /nfs/dbraw/zinc/60/16/95/600601695.db2.gz IFAUATGCSAKNBN-KRWDZBQOSA-N -1 0 392.411 3.730 20 5 GHBDRM Cc1noc(COc2ccc(Oc3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])cc2)n1 ZINC000738950550 600625316 /nfs/dbraw/zinc/62/53/16/600625316.db2.gz LSLWKRRCCCAFRS-OQFOIZHKSA-N -1 0 397.343 3.755 20 5 GHBDRM O=C([O-])C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(Cl)c1 ZINC000776676857 600799654 /nfs/dbraw/zinc/79/96/54/600799654.db2.gz IHPWSIWHXFZOGG-ZDUSSCGKSA-N -1 0 387.779 3.675 20 5 GHBDRM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000833199157 600980411 /nfs/dbraw/zinc/98/04/11/600980411.db2.gz QQXXWKUFDMEGES-ZDUSSCGKSA-N -1 0 383.187 3.847 20 5 GHBDRM O=Cc1ccc([N+](=O)[O-])c(OCc2csc(-c3cccc(C(=O)[O-])c3)n2)c1 ZINC000740318739 600986485 /nfs/dbraw/zinc/98/64/85/600986485.db2.gz NHDRPOLRNKTTBO-UHFFFAOYSA-N -1 0 384.369 3.808 20 5 GHBDRM O=C([O-])[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1Cl ZINC000833351503 601059767 /nfs/dbraw/zinc/05/97/67/601059767.db2.gz RHBJDTKJKXOKDM-LLVKDONJSA-N -1 0 376.173 3.946 20 5 GHBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827889327 601122101 /nfs/dbraw/zinc/12/21/01/601122101.db2.gz BJKOBJLQBKNTFZ-RFAUZJTJSA-N -1 0 397.742 3.524 20 5 GHBDRM Cc1ccc(-c2csc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)n2)cc1[N+](=O)[O-] ZINC000832907370 601148120 /nfs/dbraw/zinc/14/81/20/601148120.db2.gz SWYSKDQXKQTHTH-QWHCGFSZSA-N -1 0 389.433 3.856 20 5 GHBDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000833182014 601152571 /nfs/dbraw/zinc/15/25/71/601152571.db2.gz QLLDBECEOWWPJU-OLZOCXBDSA-N -1 0 380.828 3.882 20 5 GHBDRM Cc1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(C)c1OCC(=O)[O-] ZINC000832865087 601529182 /nfs/dbraw/zinc/52/91/82/601529182.db2.gz KUHNAKPOZYTJIS-UHFFFAOYSA-N -1 0 378.768 3.581 20 5 GHBDRM O=C([O-])Nc1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000740715807 602176884 /nfs/dbraw/zinc/17/68/84/602176884.db2.gz PLQLGNILKKBKTO-UHFFFAOYSA-N -1 0 387.395 3.883 20 5 GHBDRM CCn1c(SCc2cc(C)c(C(=O)[O-])o2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000830415686 602242402 /nfs/dbraw/zinc/24/24/02/602242402.db2.gz AJHSRFCSFWVJNP-UHFFFAOYSA-N -1 0 388.405 3.765 20 5 GHBDRM O=C([O-])COc1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c2ccccc12 ZINC000833258579 602261689 /nfs/dbraw/zinc/26/16/89/602261689.db2.gz RIWPDOMKMINAJK-UHFFFAOYSA-N -1 0 384.319 3.603 20 5 GHBDRM CC[C@@H](C)NC(=O)c1cccc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000828758023 602313407 /nfs/dbraw/zinc/31/34/07/602313407.db2.gz FYBGASVWVNHTSK-CYBMUJFWSA-N -1 0 385.420 3.742 20 5 GHBDRM COc1ccc(OC(F)F)c(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000832430424 602324302 /nfs/dbraw/zinc/32/43/02/602324302.db2.gz ACLHDBGOKBDLJA-UHFFFAOYSA-N -1 0 382.319 3.824 20 5 GHBDRM O=C([O-])N[C@@H](CCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccccc1 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Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(F)c(N2CCCC2)c(F)c1 ZINC000731783221 861889593 /nfs/dbraw/zinc/88/95/93/861889593.db2.gz VQYSVUYLFZCXGT-UHFFFAOYSA-N -1 0 397.403 3.582 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)c(F)c1 ZINC000303974875 861901805 /nfs/dbraw/zinc/90/18/05/861901805.db2.gz VCZCYGZAVHXIAG-UHFFFAOYSA-N -1 0 380.397 3.856 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2n[nH]c3c2cccc3Cl)cc1C ZINC000434965407 849951872 /nfs/dbraw/zinc/95/18/72/849951872.db2.gz FLASCNAZUANMIC-UHFFFAOYSA-N -1 0 380.813 3.542 20 5 GHBDRM Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc(C(=O)[O-])c1Cl ZINC000766042822 862091885 /nfs/dbraw/zinc/09/18/85/862091885.db2.gz NRCRHMJBHRERLS-UHFFFAOYSA-N -1 0 398.824 3.672 20 5 GHBDRM COc1cc(C)c([C@H](C)N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)cc1OC ZINC000486927789 850253602 /nfs/dbraw/zinc/25/36/02/850253602.db2.gz RNJPAFVPPZXNQB-LBPRGKRZSA-N -1 0 384.392 3.565 20 5 GHBDRM CC[C@H](C)C(=O)Nc1cccc(CN=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000486948048 850272366 /nfs/dbraw/zinc/27/23/66/850272366.db2.gz SUQJWCJGUJQLHQ-ZDUSSCGKSA-N -1 0 395.419 3.663 20 5 GHBDRM COc1ccc(Oc2ccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cn2)cc1 ZINC000506654280 850288935 /nfs/dbraw/zinc/28/89/35/850288935.db2.gz IIEUMLGHTOJCHA-UHFFFAOYSA-N -1 0 381.344 3.749 20 5 GHBDRM CCOc1ccc([C@H]2CCCN2C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000506780892 850887593 /nfs/dbraw/zinc/88/75/93/850887593.db2.gz YVNZFMZBEDXSGW-GOSISDBHSA-N -1 0 384.388 3.669 20 5 GHBDRM Cc1n[nH]cc1-c1n[n-]c(=NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)s1 ZINC000436158733 851272713 /nfs/dbraw/zinc/27/27/13/851272713.db2.gz ULOSQLMUKACKLD-UHFFFAOYSA-N -1 0 398.473 3.907 20 5 GHBDRM Cc1ccc(F)c(-c2cc([N-]S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])n[nH]2)c1 ZINC000436178372 851307054 /nfs/dbraw/zinc/30/70/54/851307054.db2.gz HOWZGJOCMPNOSZ-UHFFFAOYSA-N -1 0 390.396 3.542 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000515751479 851427260 /nfs/dbraw/zinc/42/72/60/851427260.db2.gz LEUFYICPOGULSK-CYBMUJFWSA-N -1 0 394.758 3.830 20 5 GHBDRM CN(Cc1ccc(Br)cc1Cl)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436583117 852093104 /nfs/dbraw/zinc/09/31/04/852093104.db2.gz GRLLPPKDBRGFKB-UHFFFAOYSA-N -1 0 399.628 3.989 20 5 GHBDRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1 ZINC000436653485 852143576 /nfs/dbraw/zinc/14/35/76/852143576.db2.gz AFUQBIHXDDQWBL-UHFFFAOYSA-N -1 0 390.417 3.876 20 5 GHBDRM CC(C)c1noc(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])cc2)n1 ZINC000436711368 852233720 /nfs/dbraw/zinc/23/37/20/852233720.db2.gz HDPYGDUJMHMPAZ-UHFFFAOYSA-N -1 0 382.376 3.650 20 5 GHBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Br)cc1F ZINC000436717848 852241170 /nfs/dbraw/zinc/24/11/70/852241170.db2.gz YCYQTLNTQAGLNO-MRVPVSSYSA-N -1 0 383.173 3.693 20 5 GHBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1nc2ccccc2n1C(F)F ZINC000436775306 852310235 /nfs/dbraw/zinc/31/02/35/852310235.db2.gz ZKLSWPMHICUDRM-SECBINFHSA-N -1 0 376.319 3.536 20 5 GHBDRM CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436807279 852368154 /nfs/dbraw/zinc/36/81/54/852368154.db2.gz DMXVOSHUTFYTEW-UHFFFAOYSA-N -1 0 394.431 3.541 20 5 GHBDRM Cc1ccc([C@H](CC(=O)[O-])NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000426781726 852387627 /nfs/dbraw/zinc/38/76/27/852387627.db2.gz DBQYVFGWNRHEJI-HNNXBMFYSA-N -1 0 387.417 3.925 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000436841839 852406696 /nfs/dbraw/zinc/40/66/96/852406696.db2.gz BFHIZLBGXVGIMS-AWEZNQCLSA-N -1 0 378.837 3.961 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000436841840 852406958 /nfs/dbraw/zinc/40/69/58/852406958.db2.gz BFHIZLBGXVGIMS-CQSZACIVSA-N -1 0 378.837 3.961 20 5 GHBDRM O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436868869 852433405 /nfs/dbraw/zinc/43/34/05/852433405.db2.gz KXNNFGHSRXKLLJ-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000436927614 852509971 /nfs/dbraw/zinc/50/99/71/852509971.db2.gz SYNNCYOTXREVRU-OAHLLOKOSA-N -1 0 378.837 3.884 20 5 GHBDRM O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436951151 852514935 /nfs/dbraw/zinc/51/49/35/852514935.db2.gz DPTBBFWTAKPJBP-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436958732 852550137 /nfs/dbraw/zinc/55/01/37/852550137.db2.gz JQEZIOSVXJFGCV-UHFFFAOYSA-N -1 0 383.404 3.615 20 5 GHBDRM O=c1nc(C=Cc2cc([O-])ccc2[N+](=O)[O-])[nH]c2sc(Br)cc21 ZINC000436973722 852558629 /nfs/dbraw/zinc/55/86/29/852558629.db2.gz UUKBEUDBGBCGGF-DAFODLJHSA-N -1 0 394.206 3.944 20 5 GHBDRM CCCOc1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(OC(F)F)c1 ZINC000436974921 852560747 /nfs/dbraw/zinc/56/07/47/852560747.db2.gz DIGXZCCRIBPFNS-UHFFFAOYSA-N -1 0 396.346 3.621 20 5 GHBDRM O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436986077 852595610 /nfs/dbraw/zinc/59/56/10/852595610.db2.gz JCUACBHZKAHZTA-UHFFFAOYSA-N -1 0 376.275 3.540 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000438790818 852840463 /nfs/dbraw/zinc/84/04/63/852840463.db2.gz IQJCYKVSJGXRPY-UHFFFAOYSA-N -1 0 387.204 3.579 20 5 GHBDRM O=C(Nc1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1)c1ccccc1 ZINC000506367284 852885751 /nfs/dbraw/zinc/88/57/51/852885751.db2.gz CIFMBEAJQYAQMY-UHFFFAOYSA-N -1 0 377.356 3.805 20 5 GHBDRM COCc1ccccc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000438807367 852889356 /nfs/dbraw/zinc/88/93/56/852889356.db2.gz DEWSCTPUHSAPMW-UHFFFAOYSA-N -1 0 391.232 3.849 20 5 GHBDRM CSc1cccc(F)c1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000509580801 852992596 /nfs/dbraw/zinc/99/25/96/852992596.db2.gz SIERFXKUPVBGTP-UHFFFAOYSA-N -1 0 390.845 3.588 20 5 GHBDRM Cc1cc2sc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)nc2cc1F ZINC000481865632 862428677 /nfs/dbraw/zinc/42/86/77/862428677.db2.gz IPDCPFAZIRCZMX-UHFFFAOYSA-N -1 0 381.410 3.761 20 5 GHBDRM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000131241841 862448608 /nfs/dbraw/zinc/44/86/08/862448608.db2.gz KVWQEUGFESWBAA-UHFFFAOYSA-N -1 0 397.840 3.644 20 5 GHBDRM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000491057133 853429890 /nfs/dbraw/zinc/42/98/90/853429890.db2.gz DIYPDSBTIVIZFH-UHFFFAOYSA-N -1 0 397.840 3.644 20 5 GHBDRM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2s1 ZINC000491146172 853460723 /nfs/dbraw/zinc/46/07/23/853460723.db2.gz OKFBDYDHVOEPIF-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM O=C(NC[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000586855298 853579299 /nfs/dbraw/zinc/57/92/99/853579299.db2.gz RJGSZUPHKUFISX-GOSISDBHSA-N -1 0 390.823 3.852 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)c1C ZINC000589557531 855026317 /nfs/dbraw/zinc/02/63/17/855026317.db2.gz ADHXZTSPLKKJBB-UHFFFAOYSA-N -1 0 389.355 3.735 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000590423619 855402401 /nfs/dbraw/zinc/40/24/01/855402401.db2.gz VZPXAEJJRLUBTI-UHFFFAOYSA-N -1 0 380.322 3.634 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3s2)s1 ZINC000171152561 855992861 /nfs/dbraw/zinc/99/28/61/855992861.db2.gz MNMJDRGFMOXCRX-UHFFFAOYSA-N -1 0 375.840 3.720 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000441798622 856408290 /nfs/dbraw/zinc/40/82/90/856408290.db2.gz SODJFYBERSAQTH-HNNXBMFYSA-N -1 0 386.795 3.807 20 5 GHBDRM Cc1ccsc1S(=O)(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1C ZINC000485397627 856442591 /nfs/dbraw/zinc/44/25/91/856442591.db2.gz XIUYHKXKDHAOSH-UHFFFAOYSA-N -1 0 391.268 3.836 20 5 GHBDRM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000032098087 862805639 /nfs/dbraw/zinc/80/56/39/862805639.db2.gz XEYFJWUYJXKLQY-UHFFFAOYSA-N -1 0 397.412 3.648 20 5 GHBDRM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000174057269 857203212 /nfs/dbraw/zinc/20/32/12/857203212.db2.gz VVOAHJAKXFSACT-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(C)C)c([N+](=O)[O-])c1 ZINC000520916430 857401658 /nfs/dbraw/zinc/40/16/58/857401658.db2.gz HUGHWVDDHJVESR-UHFFFAOYSA-N -1 0 378.450 3.993 20 5 GHBDRM Cc1occc1-c1cc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])no1 ZINC000486566787 857868290 /nfs/dbraw/zinc/86/82/90/857868290.db2.gz ZGEWLHXHKLGLJG-UHFFFAOYSA-N -1 0 377.378 3.569 20 5 GHBDRM C[C@@]1(CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1(F)F ZINC000594856535 858296723 /nfs/dbraw/zinc/29/67/23/858296723.db2.gz HJPGBGOEDWWXPP-LLVKDONJSA-N -1 0 389.207 3.615 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)c(Cl)c1 ZINC000521938170 858469720 /nfs/dbraw/zinc/46/97/20/858469720.db2.gz QNGDDWLSKUWWEB-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM COC(=O)c1cc(C(C)C)ccc1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000509616416 858749216 /nfs/dbraw/zinc/74/92/16/858749216.db2.gz XEFLHUOLMQVKGY-UHFFFAOYSA-N -1 0 392.433 3.614 20 5 GHBDRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000466637127 858844672 /nfs/dbraw/zinc/84/46/72/858844672.db2.gz YUJWFWDXDVHOOQ-UHFFFAOYSA-N -1 0 388.305 3.745 20 5 GHBDRM CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000522366029 859226478 /nfs/dbraw/zinc/22/64/78/859226478.db2.gz NOCXSEWJWSAGKA-UHFFFAOYSA-N -1 0 394.449 3.892 20 5 GHBDRM Cc1nc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])cc2s1 ZINC000060436971 859272793 /nfs/dbraw/zinc/27/27/93/859272793.db2.gz RTSVFPOBBZJGFZ-UHFFFAOYSA-N -1 0 377.447 3.931 20 5 GHBDRM Cc1ccc(-n2cc([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])cn2)c(C)c1 ZINC000466405435 859366003 /nfs/dbraw/zinc/36/60/03/859366003.db2.gz GNFXDBRZRUBGLN-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM O=C(CSCc1cc(-c2cccs2)on1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000483440042 859375893 /nfs/dbraw/zinc/37/58/93/859375893.db2.gz MGIACVZXPQHKMP-UHFFFAOYSA-N -1 0 391.430 3.889 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cnc(Oc2ccccc2)cn1 ZINC000543679203 859396617 /nfs/dbraw/zinc/39/66/17/859396617.db2.gz DEABAEZIROGZTD-UHFFFAOYSA-N -1 0 386.751 3.788 20 5 GHBDRM O=C([O-])[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c2ccccc21 ZINC000593328009 859425244 /nfs/dbraw/zinc/42/52/44/859425244.db2.gz PEDBWBJBCSQCMK-SJLPKXTDSA-N -1 0 395.415 3.556 20 5 GHBDRM Cc1c(Br)c(N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)ncc1[N+](=O)[O-] ZINC000593328139 859425903 /nfs/dbraw/zinc/42/59/03/859425903.db2.gz QQYJULNEZGHJEW-NEPJUHHUSA-N -1 0 392.209 3.786 20 5 GHBDRM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000597604792 859650183 /nfs/dbraw/zinc/65/01/83/859650183.db2.gz KMLXYYHDQYMWOW-VXAPYIKBSA-N -1 0 396.871 3.746 20 5 GHBDRM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000597604793 859650973 /nfs/dbraw/zinc/65/09/73/859650973.db2.gz KMLXYYHDQYMWOW-ZAUVIXRXSA-N -1 0 396.871 3.746 20 5 GHBDRM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000466477793 859678287 /nfs/dbraw/zinc/67/82/87/859678287.db2.gz RDCDXLHVJFZBAA-UHFFFAOYSA-N -1 0 392.433 3.614 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)c1C ZINC000474426922 860063686 /nfs/dbraw/zinc/06/36/86/860063686.db2.gz MQQUMDDDXDNHHC-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000727629493 860162405 /nfs/dbraw/zinc/16/24/05/860162405.db2.gz YSGOTWYGULPFDK-OCCSQVGLSA-N -1 0 382.482 3.561 20 5 GHBDRM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000466474923 860312129 /nfs/dbraw/zinc/31/21/29/860312129.db2.gz RKTUCWXFVODGBA-UHFFFAOYSA-N -1 0 392.433 3.614 20 5 GHBDRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000153009457 881530963 /nfs/dbraw/zinc/53/09/63/881530963.db2.gz MAKHCBGZNMKPMG-UHFFFAOYSA-N -1 0 376.221 3.714 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000593739862 861124329 /nfs/dbraw/zinc/12/43/29/861124329.db2.gz LKJXIILPPSJIJB-CQSZACIVSA-N -1 0 376.796 3.600 20 5 GHBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000593924376 863381167 /nfs/dbraw/zinc/38/11/67/863381167.db2.gz ZFZJXVVMONTXPB-HOCLYGCPSA-N -1 0 386.429 3.750 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H](C)c2ccccc2C)cc([N+](=O)[O-])c1C ZINC000734963807 864547184 /nfs/dbraw/zinc/54/71/84/864547184.db2.gz NMQUWXUEEXHXKH-CQSZACIVSA-N -1 0 390.461 3.519 20 5 GHBDRM CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000735397165 864768743 /nfs/dbraw/zinc/76/87/43/864768743.db2.gz VGMORPUKYLEVFZ-NSHDSACASA-N -1 0 376.862 3.660 20 5 GHBDRM C[C@H](Sc1ccccc1-c1nn[nH]n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000736192404 865151905 /nfs/dbraw/zinc/15/19/05/865151905.db2.gz MKYWAKHPVBEAHP-JTQLQIEISA-N -1 0 395.404 3.678 20 5 GHBDRM Cc1c2ccccc2oc1[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000480843651 865370731 /nfs/dbraw/zinc/37/07/31/865370731.db2.gz HXBWMMCZYTXRCC-LLVKDONJSA-N -1 0 378.381 3.828 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc2ccc(Cl)cc2s1 ZINC000608926457 865832380 /nfs/dbraw/zinc/83/23/80/865832380.db2.gz HGGKVBVDHJSOAO-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM Cc1ccc(C)c2sc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)nc21 ZINC000608929298 865836095 /nfs/dbraw/zinc/83/60/95/865836095.db2.gz UUJIMLHMZHFMDL-UHFFFAOYSA-N -1 0 377.447 3.931 20 5 GHBDRM CSCCc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000609016024 865892246 /nfs/dbraw/zinc/89/22/46/865892246.db2.gz SAKGMAQUUBKUPC-UHFFFAOYSA-N -1 0 386.882 3.955 20 5 GHBDRM CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000523458486 867339021 /nfs/dbraw/zinc/33/90/21/867339021.db2.gz HVDGTTBAUFIMEI-UHFFFAOYSA-N -1 0 390.248 3.768 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OC4CCOCC4)cc3)no2)cc1[O-] ZINC000445224668 868012277 /nfs/dbraw/zinc/01/22/77/868012277.db2.gz YMYZDQPVIBEXNW-UHFFFAOYSA-N -1 0 383.360 3.575 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2cnn(-c3ccc(Cl)cc3)c2)cc1[N+](=O)[O-] ZINC000479583161 868131947 /nfs/dbraw/zinc/13/19/47/868131947.db2.gz WPULZYFDZTXNMJ-UHFFFAOYSA-N -1 0 398.853 3.605 20 5 GHBDRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000744076518 868572023 /nfs/dbraw/zinc/57/20/23/868572023.db2.gz ZETFZKDAAOLTHT-LLVKDONJSA-N -1 0 376.862 3.660 20 5 GHBDRM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1C ZINC000386077052 868890212 /nfs/dbraw/zinc/89/02/12/868890212.db2.gz KDZYFEMLABKPBZ-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462336649 869270555 /nfs/dbraw/zinc/27/05/55/869270555.db2.gz BCXKZDHSESUDOF-ZJUUUORDSA-N -1 0 399.321 3.854 20 5 GHBDRM CCC(CC)c1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])on1 ZINC000462404687 869373569 /nfs/dbraw/zinc/37/35/69/869373569.db2.gz XYCRVLRREVPZNM-UHFFFAOYSA-N -1 0 387.845 3.618 20 5 GHBDRM COc1ccc(C(=O)CCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1F ZINC000539781168 869780637 /nfs/dbraw/zinc/78/06/37/869780637.db2.gz QDOVINROKXOJGK-UHFFFAOYSA-N -1 0 396.758 3.703 20 5 GHBDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000446620794 870104600 /nfs/dbraw/zinc/10/46/00/870104600.db2.gz SKGAQUKYBWFATH-UHFFFAOYSA-N -1 0 382.463 3.743 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1c(-c2ccco2)nc2ccccn21 ZINC000446725452 870269443 /nfs/dbraw/zinc/26/94/43/870269443.db2.gz JYESPVKSCAJLJY-UHFFFAOYSA-N -1 0 398.400 3.612 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nn1-c1ccccc1 ZINC000540039128 870281291 /nfs/dbraw/zinc/28/12/91/870281291.db2.gz BQWKUVGPOKEXEY-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM COC(=O)c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])cc([N+](=O)[O-])c1 ZINC000538831060 870705160 /nfs/dbraw/zinc/70/51/60/870705160.db2.gz DPGZDGUKYPMLOQ-UHFFFAOYSA-N -1 0 385.159 3.646 20 5 GHBDRM CCSCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000525525070 870863507 /nfs/dbraw/zinc/86/35/07/870863507.db2.gz VFBXNTASCMBNFM-UHFFFAOYSA-N -1 0 382.463 3.657 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1c2ccccc2CC[C@@H]1F ZINC001194047160 871463358 /nfs/dbraw/zinc/46/33/58/871463358.db2.gz WOIUZUANEBKOAP-BBRMVZONSA-N -1 0 384.816 3.552 20 5 GHBDRM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000181792015 871475379 /nfs/dbraw/zinc/47/53/79/871475379.db2.gz SWZHUQVALPXAFA-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)ccc1Cl ZINC000794051276 882548360 /nfs/dbraw/zinc/54/83/60/882548360.db2.gz NKJDJEAXBPFZTM-UHFFFAOYSA-N -1 0 388.188 3.844 20 5 GHBDRM C[C@@H]1CCCN(c2ccc(C(=O)NCCCCCCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000767118400 872273992 /nfs/dbraw/zinc/27/39/92/872273992.db2.gz RQUDZUUZLUDTDV-OAHLLOKOSA-N -1 0 391.468 3.596 20 5 GHBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(OCc2cccnc2)cc1 ZINC000540933774 872527330 /nfs/dbraw/zinc/52/73/30/872527330.db2.gz LJUZCYTWHQOLTM-CQSZACIVSA-N -1 0 393.399 3.765 20 5 GHBDRM CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)ccc2O1 ZINC000463791271 872568641 /nfs/dbraw/zinc/56/86/41/872568641.db2.gz UHIZZFJSNAUSAW-UHFFFAOYSA-N -1 0 399.428 3.657 20 5 GHBDRM COCCC[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000552681123 872988991 /nfs/dbraw/zinc/98/89/91/872988991.db2.gz PETDWCRIMDIXBG-AWEZNQCLSA-N -1 0 392.839 3.894 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)cc1[N+](=O)[O-] ZINC000182950370 872997783 /nfs/dbraw/zinc/99/77/83/872997783.db2.gz YWBVYHPTDBQHGS-UHFFFAOYSA-N -1 0 395.746 3.771 20 5 GHBDRM O=C([O-])c1cnc(C=Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[nH]c1=O ZINC000619864667 873110177 /nfs/dbraw/zinc/11/01/77/873110177.db2.gz TTXPKOULAJMINE-WAPJZHGLSA-N -1 0 397.318 3.890 20 5 GHBDRM Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)c1 ZINC000122428918 873405656 /nfs/dbraw/zinc/40/56/56/873405656.db2.gz ZBXUACLDFAFVDV-UHFFFAOYSA-N -1 0 391.268 3.836 20 5 GHBDRM COC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC001197146021 873623329 /nfs/dbraw/zinc/62/33/29/873623329.db2.gz PLJOTYYWPYKYQB-HNNXBMFYSA-N -1 0 381.226 3.540 20 5 GHBDRM CC(C)(C)OC(=O)Nc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768881885 873644746 /nfs/dbraw/zinc/64/47/46/873644746.db2.gz IXEOUIXPBCQDIL-UHFFFAOYSA-N -1 0 399.450 3.804 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000541586725 873931314 /nfs/dbraw/zinc/93/13/14/873931314.db2.gz SJEFOZFVXZSVCY-QWHCGFSZSA-N -1 0 377.194 3.805 20 5 GHBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c(C(F)(F)F)c1 ZINC000921297377 882818747 /nfs/dbraw/zinc/81/87/47/882818747.db2.gz IYHKTYLUFLFYEQ-UHFFFAOYSA-N -1 0 382.266 3.693 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2noc3ccc(C(F)(F)F)cc32)cc1 ZINC000460586377 874752015 /nfs/dbraw/zinc/75/20/15/874752015.db2.gz WRHIYIWHSCAMNN-UHFFFAOYSA-N -1 0 387.295 3.556 20 5 GHBDRM CC(C)Cn1cc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c(C(F)F)n1 ZINC000542120692 875002822 /nfs/dbraw/zinc/00/28/22/875002822.db2.gz GRCSQDOZJUKEHH-UHFFFAOYSA-N -1 0 394.425 3.594 20 5 GHBDRM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)cccc1[N+](=O)[O-] ZINC000537652719 882935126 /nfs/dbraw/zinc/93/51/26/882935126.db2.gz BZPACDCBDCXVAF-UHFFFAOYSA-N -1 0 378.406 3.526 20 5 GHBDRM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 ZINC000549927633 875908747 /nfs/dbraw/zinc/90/87/47/875908747.db2.gz BXQDSZWBFRFDFJ-CQSZACIVSA-N -1 0 392.415 3.799 20 5 GHBDRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000493038127 878097970 /nfs/dbraw/zinc/09/79/70/878097970.db2.gz ZXAKNMBEQXQYCV-UHFFFAOYSA-N -1 0 380.470 3.708 20 5 GHBDRM CC(/C=C/c1nc2ccccc2c(=O)n1CC(=O)[O-])=C/c1cccc([N+](=O)[O-])c1 ZINC000615776546 878110324 /nfs/dbraw/zinc/11/03/24/878110324.db2.gz CHERKZBMGKCMQP-POLRJCGMSA-N -1 0 391.383 3.506 20 5 GHBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)cc1[N+](=O)[O-] ZINC000493128041 878523715 /nfs/dbraw/zinc/52/37/15/878523715.db2.gz BFUGQRUUKYTOIZ-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)nn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000531117585 879204487 /nfs/dbraw/zinc/20/44/87/879204487.db2.gz YNXWVPLWSDIWSK-UHFFFAOYSA-N -1 0 398.444 3.767 20 5 GHBDRM O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000461234260 879443875 /nfs/dbraw/zinc/44/38/75/879443875.db2.gz QFIIKMISPHBNJJ-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM Cc1ccc([C@H](C)NC(=O)N=c2nc(-c3ccccc3)[n-]s2)cc1[N+](=O)[O-] ZINC000487720668 879549588 /nfs/dbraw/zinc/54/95/88/879549588.db2.gz NPHLJCWGNAXRBW-LBPRGKRZSA-N -1 0 383.433 3.726 20 5 GHBDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1C ZINC000790419147 879700087 /nfs/dbraw/zinc/70/00/87/879700087.db2.gz KUUVWLGMMZABCH-SNVBAGLBSA-N -1 0 386.861 3.833 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3nccnc3c2)c(Cl)cc1Cl ZINC000791433199 880400026 /nfs/dbraw/zinc/40/00/26/880400026.db2.gz RYIPKIKUSCIXAL-UHFFFAOYSA-N -1 0 399.215 3.646 20 5 GHBDRM O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1CCC2(CCC2)CC1 ZINC000804625663 883138232 /nfs/dbraw/zinc/13/82/32/883138232.db2.gz ZUKWQSOYMWIPAE-UHFFFAOYSA-N -1 0 390.827 3.546 20 5 GHBDRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000175015198 883185933 /nfs/dbraw/zinc/18/59/33/883185933.db2.gz RGPPFJOAIGMWGA-UHFFFAOYSA-N -1 0 390.339 3.753 20 5 GHBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000263071327 883526999 /nfs/dbraw/zinc/52/69/99/883526999.db2.gz GTBJFFDCNAMWHZ-KBPBESRZSA-N -1 0 399.403 3.962 20 5 GHBDRM CC(C)Oc1ccc(=NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)[n-]n1 ZINC000441569360 883925055 /nfs/dbraw/zinc/92/50/55/883925055.db2.gz AFNIRUPQWGREML-UHFFFAOYSA-N -1 0 394.387 3.639 20 5 GHBDRM COc1ccccc1-c1n[n-]c(=NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)o1 ZINC000556337492 884517603 /nfs/dbraw/zinc/51/76/03/884517603.db2.gz RHSPEVODROIATD-UHFFFAOYSA-N -1 0 392.371 3.947 20 5 GHBDRM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000556352719 884592757 /nfs/dbraw/zinc/59/27/57/884592757.db2.gz YTWZOQFUMQJSGX-UHFFFAOYSA-N -1 0 394.449 3.710 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)ccc1Cl ZINC000761835403 884722520 /nfs/dbraw/zinc/72/25/20/884722520.db2.gz NTKZKQQFCQVOBG-UHFFFAOYSA-N -1 0 396.837 3.568 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c2ccccc12 ZINC000475831440 884802191 /nfs/dbraw/zinc/80/21/91/884802191.db2.gz VIDRZYWTHKENOI-UHFFFAOYSA-N -1 0 376.365 3.697 20 5 GHBDRM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(F)cc([N+](=O)[O-])c3)cc(Cl)c2O1 ZINC000475834942 884805431 /nfs/dbraw/zinc/80/54/31/884805431.db2.gz QNQSYTFMBNLSIV-MRVPVSSYSA-N -1 0 386.788 3.512 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@@H]2CSc3ccccc32)c1 ZINC000795844262 912901428 /nfs/dbraw/zinc/90/14/28/912901428.db2.gz HRZBTXNSLZBBKH-LLVKDONJSA-N -1 0 388.829 3.513 20 5 GHBDRM O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000193321113 885337639 /nfs/dbraw/zinc/33/76/39/885337639.db2.gz TYDTXXDCZSQPFZ-UHFFFAOYSA-N -1 0 397.412 3.648 20 5 GHBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000863469517 887134302 /nfs/dbraw/zinc/13/43/02/887134302.db2.gz AMALOFXQVSLDLT-UHFFFAOYSA-N -1 0 387.392 3.924 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(SC(F)F)c1 ZINC000794861278 888549160 /nfs/dbraw/zinc/54/91/60/888549160.db2.gz STHJFPMHXKEWJP-UHFFFAOYSA-N -1 0 390.389 3.719 20 5 GHBDRM CC(C)=CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000916619792 889195420 /nfs/dbraw/zinc/19/54/20/889195420.db2.gz CCNPOQBJNZQZQV-UHFFFAOYSA-N -1 0 390.417 3.519 20 5 GHBDRM O=C([N-]C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1)C(F)(F)F ZINC000811855709 890048793 /nfs/dbraw/zinc/04/87/93/890048793.db2.gz BZDNQSVZJMNRMX-SECBINFHSA-N -1 0 399.291 3.509 20 5 GHBDRM 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907079679 /nfs/dbraw/zinc/07/96/79/907079679.db2.gz OLRNUAMVQMJUDU-OAHLLOKOSA-N -1 0 382.401 3.967 20 5 GHBDRM CC(C)c1c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000192153892 907469864 /nfs/dbraw/zinc/46/98/64/907469864.db2.gz FRAJSPQYPIBRCR-UHFFFAOYSA-N -1 0 386.433 3.705 20 5 GHBDRM COC(=O)c1cc(Cl)nc(Cl)c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176675484 908204510 /nfs/dbraw/zinc/20/45/10/908204510.db2.gz ZVAJPJZKRHOKOK-UHFFFAOYSA-N -1 0 386.147 3.525 20 5 GHBDRM Nc1cn(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2ccc(Br)cc12 ZINC001176678366 908205536 /nfs/dbraw/zinc/20/55/36/908205536.db2.gz OYPVGDIFZNROCH-UHFFFAOYSA-N -1 0 376.166 3.582 20 5 GHBDRM COCc1ccc(Br)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176680350 908207570 /nfs/dbraw/zinc/20/75/70/908207570.db2.gz ZSACQPWZJGAUDP-UHFFFAOYSA-N -1 0 381.182 3.946 20 5 GHBDRM CCOC(=O)c1ccc2ccc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2n1 ZINC001176679970 908207592 /nfs/dbraw/zinc/20/75/92/908207592.db2.gz UMLCJKYKLVXCHV-UHFFFAOYSA-N 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Cc1ccc([C@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C(F)(F)F)o1 ZINC001191856679 918238519 /nfs/dbraw/zinc/23/85/19/918238519.db2.gz OEXVVLLKGXVYBY-AWEZNQCLSA-N -1 0 392.355 3.695 20 5 GHBDRM CCC[C@H](C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000119959949 919672952 /nfs/dbraw/zinc/67/29/52/919672952.db2.gz GWCNGNPFANLBBK-ZDUSSCGKSA-N -1 0 396.852 3.637 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Oc2ccncc2)cs1 ZINC000120014236 919680372 /nfs/dbraw/zinc/68/03/72/919680372.db2.gz SXHSDOMFWFHYFD-UHFFFAOYSA-N -1 0 377.403 3.644 20 5 GHBDRM Cc1cc(=O)c(COC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])n[n-]1 ZINC000802174955 921879250 /nfs/dbraw/zinc/87/92/50/921879250.db2.gz JBXRPCFNNNHFIW-UHFFFAOYSA-N -1 0 397.412 3.907 20 5 GHBDRM Cn1cc(/C=C\c2ncc(/C=C/C(=O)[O-])s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000751039450 927997264 /nfs/dbraw/zinc/99/72/64/927997264.db2.gz RZSMWYRWRITQNI-FBFSCSHHSA-N -1 0 382.401 3.720 20 5 GHBDRM Cc1nc2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)ccc2n1C 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Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000777595545 932166686 /nfs/dbraw/zinc/16/66/86/932166686.db2.gz HAJBTAYBMDHXKA-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM O=C([O-])CC1(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCCC1 ZINC000559934681 932968859 /nfs/dbraw/zinc/96/88/59/932968859.db2.gz MYILNPIROLPNBO-UHFFFAOYSA-N -1 0 385.214 3.721 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)C=Cc3ccccc3F)n[nH]2)c1 ZINC000799922596 933169517 /nfs/dbraw/zinc/16/95/17/933169517.db2.gz LNDUGGYGMNCDEC-CMDGGOBGSA-N -1 0 388.380 3.537 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])cc1NC(=O)C(C)(C)C ZINC001117960818 934068019 /nfs/dbraw/zinc/06/80/19/934068019.db2.gz DJRJGLREUIJOOJ-UHFFFAOYSA-N -1 0 397.478 3.750 20 5 GHBDRM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]c1nc(C2CCC2)cs1 ZINC000829855480 935873031 /nfs/dbraw/zinc/87/30/31/935873031.db2.gz YJZDBAXOBTUGMK-UHFFFAOYSA-N -1 0 391.833 3.912 20 5 GHBDRM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cn(C)nc1C1CCCCC1 ZINC000830043130 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AFCYBJHQZGYTAL-UHFFFAOYSA-N -1 0 385.113 3.690 20 5 GHBDRM O=C([O-])CCc1cccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC001574710599 962708938 /nfs/dbraw/zinc/70/89/38/962708938.db2.gz YQTUTGLEQHOUOX-UHFFFAOYSA-N -1 0 380.759 3.586 20 5 GHBDRM C[C@H]1Cc2c(C(=O)[O-])c(NC(=O)Cc3ccccc3[N+](=O)[O-])sc2[C@H](C)O1 ZINC001610101195 970668289 /nfs/dbraw/zinc/66/82/89/970668289.db2.gz QANZZIKCODATOS-UWVGGRQHSA-N -1 0 390.417 3.558 20 5 GHBDRM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001606056284 973167679 /nfs/dbraw/zinc/16/76/79/973167679.db2.gz SGVWPKSHDSCDSE-INIZCTEOSA-N -1 0 391.221 3.541 20 5 GHBDRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001625779848 1014152625 /nfs/dbraw/zinc/15/26/25/1014152625.db2.gz VTNPUIJKKIKZFX-UHFFFAOYSA-N -1 0 376.731 3.735 20 5 GHBDRM CC(C)Oc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cccc1C(=O)[O-] ZINC001591741437 975754719 /nfs/dbraw/zinc/75/47/19/975754719.db2.gz JHGVMFJWQXOEGM-UHFFFAOYSA-N -1 0 392.795 3.915 20 5 GHBDRM CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC001591781192 975952519 /nfs/dbraw/zinc/95/25/19/975952519.db2.gz VLNYPTLPUQQDLJ-HZPDHXFCSA-N -1 0 384.388 3.822 20 5 GHBDRM C[C@H](CCc1ccco1)NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001592552013 978435645 /nfs/dbraw/zinc/43/56/45/978435645.db2.gz IDXQBFUTIZGJMK-GFCCVEGCSA-N -1 0 392.433 3.506 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001595211548 979993000 /nfs/dbraw/zinc/99/30/00/979993000.db2.gz IBHSQGGUHIJFAI-CVEARBPZSA-N -1 0 376.453 3.513 20 5 GHBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001595213090 980004184 /nfs/dbraw/zinc/00/41/84/980004184.db2.gz SHGBFHQFXJIYOV-NSHDSACASA-N -1 0 378.331 3.779 20 5 GHBDRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)c1nc(C)cs1 ZINC001595251506 980212778 /nfs/dbraw/zinc/21/27/78/980212778.db2.gz CNRDWHBANFQCHG-NSHDSACASA-N -1 0 378.410 3.639 20 5 GHBDRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)c1ccccc1OC ZINC001595253354 980230027 /nfs/dbraw/zinc/23/00/27/980230027.db2.gz XSPOPIBWMVJIDU-AWEZNQCLSA-N -1 0 387.392 3.883 20 5 GHBDRM C[C@](NC(=O)Cc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593044937 980333572 /nfs/dbraw/zinc/33/35/72/980333572.db2.gz ULDMTXLAKAQBCH-QGZVFWFLSA-N -1 0 397.214 3.560 20 5 GHBDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC001594781685 981788310 /nfs/dbraw/zinc/78/83/10/981788310.db2.gz MBJLOWGPIQMENP-KZULUSFZSA-N -1 0 380.466 3.567 20 5 GHBDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001594782532 981791322 /nfs/dbraw/zinc/79/13/22/981791322.db2.gz RFZMNHXRMYHPIJ-GOSISDBHSA-N -1 0 382.844 3.673 20 5 GHBDRM CCCNC(=O)c1cccc(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC001595930983 983059018 /nfs/dbraw/zinc/05/90/18/983059018.db2.gz SBTNJVBBGRXSKH-UHFFFAOYSA-N -1 0 391.811 3.698 20 5 GHBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@@H](CC1CCCC1)c1ccccc1 ZINC001188451813 1014971191 /nfs/dbraw/zinc/97/11/91/1014971191.db2.gz VMCFAGVZZJICLW-INIZCTEOSA-N -1 0 375.450 3.590 20 5 GHBDRM CCN(Cc1nc2c(s1)C[C@@H](C)CC2)c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001596378491 983896751 /nfs/dbraw/zinc/89/67/51/983896751.db2.gz VPIATJPQMIJCLW-JTQLQIEISA-N -1 0 390.465 3.604 20 5 GHBDRM CCOC(=O)c1oc2ccccc2c1COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001596755615 985130094 /nfs/dbraw/zinc/13/00/94/985130094.db2.gz CLNXSNGXDQSGTC-UHFFFAOYSA-N -1 0 385.328 3.795 20 5 GHBDRM C[C@H]1Cc2ccccc2N1C1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001594623931 986679751 /nfs/dbraw/zinc/67/97/51/986679751.db2.gz LDNBQKCBPGIRNV-HNNXBMFYSA-N -1 0 395.459 3.642 20 5 GHBDRM CCOc1ccc(C[C@H](CNc2cc(C)c([N+](=O)[O-])cc2F)C(=O)[O-])cc1 ZINC001597095832 986697512 /nfs/dbraw/zinc/69/75/12/986697512.db2.gz QHIHGPBSWMIDDQ-CQSZACIVSA-N -1 0 376.384 3.796 20 5 GHBDRM 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CC[C@@H]1CC[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C1 ZINC001597296452 987397155 /nfs/dbraw/zinc/39/71/55/987397155.db2.gz SGBAYAXYZJBVIB-CHWSQXEVSA-N -1 0 380.466 3.812 20 5 GHBDRM CCc1ccc(OS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c([N+](=O)[O-])c1 ZINC001597558071 988300906 /nfs/dbraw/zinc/30/09/06/988300906.db2.gz ZFIAPUCNYGCTDL-UHFFFAOYSA-N -1 0 399.808 3.585 20 5 GHBDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC001599810288 988322019 /nfs/dbraw/zinc/32/20/19/988322019.db2.gz NWFSZTAQCWNCLL-YVEFUNNKSA-N -1 0 388.445 3.752 20 5 GHBDRM CSc1ccc(CCCC(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001599813395 988377339 /nfs/dbraw/zinc/37/73/39/988377339.db2.gz ZPJXSGCQRJRADC-UHFFFAOYSA-N -1 0 375.402 3.943 20 5 GHBDRM CC(C)CCc1ccc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC001591270595 992190933 /nfs/dbraw/zinc/19/09/33/992190933.db2.gz WHXJUJYZQCDYHV-UHFFFAOYSA-N -1 0 393.417 3.649 20 5 GHBDRM 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COc1c(F)cc(S(=O)(=O)[N-]c2ccc3occ(C)c3c2)cc1[N+](=O)[O-] ZINC000187653142 843484897 /nfs/dbraw/zinc/48/48/97/843484897.db2.gz VBEJXOAWMFTJMF-UHFFFAOYSA-N -1 0 380.353 3.598 20 5 GHBDRM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000603982046 861501993 /nfs/dbraw/zinc/50/19/93/861501993.db2.gz USKWEPVAIJGYAR-UHFFFAOYSA-N -1 0 397.840 3.788 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c(Cl)c1 ZINC000603974152 861521847 /nfs/dbraw/zinc/52/18/47/861521847.db2.gz AHVCHBKGKKPKHV-UHFFFAOYSA-N -1 0 396.730 3.948 20 5 GHBDRM O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1cccc([O-])c1[N+](=O)[O-] ZINC000538367276 845399690 /nfs/dbraw/zinc/39/96/90/845399690.db2.gz BYXFRANJRFLBSH-CYBMUJFWSA-N -1 0 376.237 3.612 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ncc(C)c(-c2ccccc2)n1 ZINC000433154250 845520688 /nfs/dbraw/zinc/52/06/88/845520688.db2.gz AQKFIHRUEZKHLP-UHFFFAOYSA-N -1 0 398.444 3.723 20 5 GHBDRM COc1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])ccc1[N+](=O)[O-] ZINC000182933968 845692485 /nfs/dbraw/zinc/69/24/85/845692485.db2.gz JBVQMINJIQNDSC-UHFFFAOYSA-N -1 0 381.182 3.632 20 5 GHBDRM Cc1cc(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)cc([N+](=O)[O-])c1 ZINC000263178367 845941405 /nfs/dbraw/zinc/94/14/05/845941405.db2.gz ZITPPOCGHODREV-UHFFFAOYSA-N -1 0 382.416 3.696 20 5 GHBDRM O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183583519 846322135 /nfs/dbraw/zinc/32/21/35/846322135.db2.gz WDDHMOCRYLQLHI-UHFFFAOYSA-N -1 0 397.412 3.795 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1[N+](=O)[O-] ZINC000176658315 846883071 /nfs/dbraw/zinc/88/30/71/846883071.db2.gz QTZIWMSPMIXPBM-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM CCn1c2ccc(C(=O)[O-])cc2nc1CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000582490693 847402275 /nfs/dbraw/zinc/40/22/75/847402275.db2.gz KXLIULIWHSIAHC-UHFFFAOYSA-N -1 0 394.431 3.827 20 5 GHBDRM CCCOc1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl ZINC000511149125 847486530 /nfs/dbraw/zinc/48/65/30/847486530.db2.gz CVGMCPONRXUBJO-UHFFFAOYSA-N -1 0 386.813 3.543 20 5 GHBDRM O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183907511 847537385 /nfs/dbraw/zinc/53/73/85/847537385.db2.gz SNFTVTWAMHSATA-UHFFFAOYSA-N -1 0 388.767 3.575 20 5 GHBDRM COCc1cc(Cl)ccc1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000424081837 850193539 /nfs/dbraw/zinc/19/35/39/850193539.db2.gz KMQHBZOQIDLFQA-UHFFFAOYSA-N -1 0 384.841 3.812 20 5 GHBDRM CC(C)CC(=O)Nc1cccc(CN=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000486980574 850311723 /nfs/dbraw/zinc/31/17/23/850311723.db2.gz NWPLUXIZAJJYJR-UHFFFAOYSA-N -1 0 395.419 3.663 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2noc(=NCc3nc4cc(Cl)ccc4s3)[n-]2)cc1 ZINC000486981764 850312923 /nfs/dbraw/zinc/31/29/23/850312923.db2.gz SJPGJSNOQXZLSC-UHFFFAOYSA-N -1 0 387.808 3.942 20 5 GHBDRM O=C([O-])c1cc(N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000514939518 850511288 /nfs/dbraw/zinc/51/12/88/850511288.db2.gz NRGRLGUBDWCWNY-MRXNPFEDSA-N -1 0 396.321 3.890 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)cc1[N+](=O)[O-] ZINC000466972673 862167933 /nfs/dbraw/zinc/16/79/33/862167933.db2.gz IIHJBTOFNXDCGP-UHFFFAOYSA-N -1 0 381.460 3.889 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425028663 850856756 /nfs/dbraw/zinc/85/67/56/850856756.db2.gz ZJZGZGVXKTUISP-UHFFFAOYSA-N -1 0 387.461 3.656 20 5 GHBDRM O=C([O-])C1CC2(C1)C[C@@H](NC(=O)c1cc3ccccc3c3cccnc13)CCO2 ZINC000910616265 851287210 /nfs/dbraw/zinc/28/72/10/851287210.db2.gz SETRJCULPWBUCE-PMFMOCITSA-N -1 0 390.439 3.530 20 5 GHBDRM CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505787508 851438332 /nfs/dbraw/zinc/43/83/32/851438332.db2.gz OSHBHRIFHJLXAE-UHFFFAOYSA-N -1 0 398.394 3.534 20 5 GHBDRM O=C(NCc1ccc(-n2cnc3ccccc32)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000061636236 862269344 /nfs/dbraw/zinc/26/93/44/862269344.db2.gz UDXOGBCXNXITTH-UHFFFAOYSA-N -1 0 388.383 3.569 20 5 GHBDRM COc1ccc(-c2nnc(SCc3cc([O-])ccc3[N+](=O)[O-])o2)cc1OC ZINC000436475286 851962984 /nfs/dbraw/zinc/96/29/84/851962984.db2.gz OEPKQQBBVNKRRG-UHFFFAOYSA-N -1 0 389.389 3.660 20 5 GHBDRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000262050621 851989295 /nfs/dbraw/zinc/98/92/95/851989295.db2.gz FLOJJHRMQXQQPL-GUYCJALGSA-N -1 0 388.445 3.716 20 5 GHBDRM O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436628067 852121294 /nfs/dbraw/zinc/12/12/94/852121294.db2.gz NXCZJKAJTSTQHB-QGZVFWFLSA-N -1 0 389.839 3.521 20 5 GHBDRM C[C@H](CCc1ccc(Br)cc1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436636924 852131160 /nfs/dbraw/zinc/13/11/60/852131160.db2.gz XIZHNYBNSOMAQA-LLVKDONJSA-N -1 0 393.237 3.814 20 5 GHBDRM O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436674640 852174888 /nfs/dbraw/zinc/17/48/88/852174888.db2.gz VZZUMUMAMPTWDX-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM O=C(NCc1cccc(OCc2ccccc2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436751185 852292573 /nfs/dbraw/zinc/29/25/73/852292573.db2.gz QIOFPCRXGMLAND-UHFFFAOYSA-N -1 0 378.384 3.809 20 5 GHBDRM COc1ccccc1[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000426770638 852375488 /nfs/dbraw/zinc/37/54/88/852375488.db2.gz UNOHNNLVAAIVGK-IBGZPJMESA-N -1 0 382.372 3.779 20 5 GHBDRM Cc1coc(-c2cc([N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])ccc2C)n1 ZINC000150801645 852403286 /nfs/dbraw/zinc/40/32/86/852403286.db2.gz MVOYQHWLMCEHJY-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM O=C(NCCCCc1nc(-c2cccnc2)cs1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436963449 852535584 /nfs/dbraw/zinc/53/55/84/852535584.db2.gz PSMNNAXHKGHMFO-UHFFFAOYSA-N -1 0 398.444 3.572 20 5 GHBDRM CCOCCOc1c(Cl)cccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436957468 852549073 /nfs/dbraw/zinc/54/90/73/852549073.db2.gz VIZIUQZQXUVDMP-UHFFFAOYSA-N -1 0 380.784 3.621 20 5 GHBDRM O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436972880 852556870 /nfs/dbraw/zinc/55/68/70/852556870.db2.gz VUKNUSMHIQZFRW-UHFFFAOYSA-N 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Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc1[N+](=O)[O-] ZINC000322949324 853848613 /nfs/dbraw/zinc/84/86/13/853848613.db2.gz SGOAOLMQXVBGIB-UHFFFAOYSA-N -1 0 377.205 3.716 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cl)c2cccnc12 ZINC000055581337 854012463 /nfs/dbraw/zinc/01/24/63/854012463.db2.gz OXYOFJNIQTZEAK-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc2c(c1)OC1(CCCC1)O2 ZINC000520403849 854174389 /nfs/dbraw/zinc/17/43/89/854174389.db2.gz LQNBNLKACNHPLA-UHFFFAOYSA-N -1 0 390.417 3.746 20 5 GHBDRM Cc1ccc(NC(=O)c2cc3ccccc3cc2[N-]S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000732880444 862569145 /nfs/dbraw/zinc/56/91/45/862569145.db2.gz PKQTVRMMAZEJNR-UHFFFAOYSA-N -1 0 399.428 3.680 20 5 GHBDRM Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184688339 855543718 /nfs/dbraw/zinc/54/37/18/855543718.db2.gz DIXGPOJABHFVGR-UHFFFAOYSA-N -1 0 377.400 3.846 20 5 GHBDRM O=C([O-])c1ccccc1C1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591327063 855890678 /nfs/dbraw/zinc/89/06/78/855890678.db2.gz GXYSMZHCZQSPKT-UHFFFAOYSA-N -1 0 378.388 3.620 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2ccccc2F)cc(Br)cc1[N+](=O)[O-] ZINC000485397574 856442976 /nfs/dbraw/zinc/44/29/76/856442976.db2.gz AYZMXSCUSAYJFR-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc2cccnc2c(OC)c1 ZINC000427657531 856538482 /nfs/dbraw/zinc/53/84/82/856538482.db2.gz QFERCDIXOFVMOC-UHFFFAOYSA-N -1 0 387.417 3.515 20 5 GHBDRM COc1ccc2c([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)noc2c1 ZINC000427790228 856715220 /nfs/dbraw/zinc/71/52/20/856715220.db2.gz RZBRYYZPSHFVGH-UHFFFAOYSA-N -1 0 397.796 3.507 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)cc1C ZINC000508095221 856908290 /nfs/dbraw/zinc/90/82/90/856908290.db2.gz JQDMZEGPFKJONI-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM C[C@H](c1ccc(Cl)cc1)N1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000569107189 856919764 /nfs/dbraw/zinc/91/97/64/856919764.db2.gz PJKZYAROCTWUHQ-CYBMUJFWSA-N -1 0 389.839 3.830 20 5 GHBDRM COc1cc(CN(C)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(SC)cc1OC ZINC000574087972 857218752 /nfs/dbraw/zinc/21/87/52/857218752.db2.gz XMIZFPXYFQTNRF-UHFFFAOYSA-N -1 0 392.433 3.669 20 5 GHBDRM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000042004998 857336426 /nfs/dbraw/zinc/33/64/26/857336426.db2.gz MTMYNOLHZYKLSB-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000442212512 857605154 /nfs/dbraw/zinc/60/51/54/857605154.db2.gz IEXJTHLSSHEBEN-UHFFFAOYSA-N -1 0 383.159 3.981 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c(C(F)(F)F)c1 ZINC000161588479 857683283 /nfs/dbraw/zinc/68/32/83/857683283.db2.gz JUZOXMPAZJKUTM-UHFFFAOYSA-N -1 0 385.323 3.896 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)cc1[N+](=O)[O-] ZINC000508390421 857844039 /nfs/dbraw/zinc/84/40/39/857844039.db2.gz QGILBQLITHFNAQ-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM Cc1occc1-c1cc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])no1 ZINC000486563634 857862489 /nfs/dbraw/zinc/86/24/89/857862489.db2.gz SIMYJZXRZRFBAC-UHFFFAOYSA-N -1 0 377.378 3.569 20 5 GHBDRM CCCCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCc2ncsc2C1 ZINC000592901093 858367444 /nfs/dbraw/zinc/36/74/44/858367444.db2.gz IZFJQMXRVPJKPQ-CYBMUJFWSA-N -1 0 375.450 3.557 20 5 GHBDRM CC(C)(c1nnc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)s1)c1ccccc1 ZINC000160288482 858782840 /nfs/dbraw/zinc/78/28/40/858782840.db2.gz NFACSULIWOZKNI-UHFFFAOYSA-N -1 0 384.417 3.730 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000522357705 859177035 /nfs/dbraw/zinc/17/70/35/859177035.db2.gz COMLUIMNVVHDPO-UHFFFAOYSA-N -1 0 390.339 3.645 20 5 GHBDRM COc1ccccc1OCc1ccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000483434581 859370492 /nfs/dbraw/zinc/37/04/92/859370492.db2.gz BCGFWTQQIWAYMQ-UHFFFAOYSA-N -1 0 384.344 3.733 20 5 GHBDRM O=C(N=c1nc(-c2ccccc2)[n-]s1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466443753 859513915 /nfs/dbraw/zinc/51/39/15/859513915.db2.gz LQVBLMNWHZKRLD-UHFFFAOYSA-N -1 0 389.824 3.510 20 5 GHBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000484151099 859839095 /nfs/dbraw/zinc/83/90/95/859839095.db2.gz ZRQJCIHWOABFMM-UHFFFAOYSA-N -1 0 386.355 3.578 20 5 GHBDRM O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3Cl)ccc2c1 ZINC000156174338 860703447 /nfs/dbraw/zinc/70/34/47/860703447.db2.gz UCLICNNHGLAJDB-UHFFFAOYSA-N -1 0 381.772 3.736 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCO[C@H](c3cccc(Cl)c3)C2)c1 ZINC000593740641 861152067 /nfs/dbraw/zinc/15/20/67/861152067.db2.gz JFDQKXPLRHNSHM-KRWDZBQOSA-N -1 0 376.796 3.520 20 5 GHBDRM Cc1cc(N2CCC(c3ccc4cccnc4n3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000593947581 863447484 /nfs/dbraw/zinc/44/74/84/863447484.db2.gz WNULMZDLJSCYHA-UHFFFAOYSA-N -1 0 392.415 3.929 20 5 GHBDRM O=C([O-])[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000439715444 863690226 /nfs/dbraw/zinc/69/02/26/863690226.db2.gz 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20 5 GHBDRM CC(C)(C)c1n[n-]c(=NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000454546848 889253671 /nfs/dbraw/zinc/25/36/71/889253671.db2.gz OTHQZKKOGCOEMA-CYBMUJFWSA-N -1 0 389.481 3.577 20 5 GHBDRM O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000811547469 889728489 /nfs/dbraw/zinc/72/84/89/889728489.db2.gz JPHFSERHTBSJKK-VQTJNVASSA-N -1 0 378.384 3.505 20 5 GHBDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC000916755269 890190202 /nfs/dbraw/zinc/19/02/02/890190202.db2.gz UGGXYXPZLDZIMN-UHFFFAOYSA-N -1 0 390.804 3.520 20 5 GHBDRM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)c1 ZINC000812273453 890493163 /nfs/dbraw/zinc/49/31/63/890493163.db2.gz ZKYRWKQLPDMALN-UHFFFAOYSA-N -1 0 398.824 3.656 20 5 GHBDRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000814023445 892171150 /nfs/dbraw/zinc/17/11/50/892171150.db2.gz YEXDKEMPZWKNIJ-KAUXGEHWSA-N -1 0 388.445 3.595 20 5 GHBDRM CCCc1c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cnn1-c1ccc(F)cc1 ZINC000192233491 892314509 /nfs/dbraw/zinc/31/45/09/892314509.db2.gz FHPUNPKQJQYEOI-UHFFFAOYSA-N -1 0 384.367 3.830 20 5 GHBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-c2nccs2)cc1 ZINC000917726342 892469152 /nfs/dbraw/zinc/46/91/52/892469152.db2.gz CITGNIQGUKRAHX-UHFFFAOYSA-N -1 0 379.394 3.658 20 5 GHBDRM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1cccc(F)c1F ZINC000815028948 893382196 /nfs/dbraw/zinc/38/21/96/893382196.db2.gz HFHZRZHCKKFILA-SSDOTTSWSA-N -1 0 394.758 3.705 20 5 GHBDRM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815036476 893389774 /nfs/dbraw/zinc/38/97/74/893389774.db2.gz XAGMURWISDVEOT-SECBINFHSA-N -1 0 392.758 3.643 20 5 GHBDRM CCN(CC)C(=O)c1ccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])cc1Cl ZINC000537180503 894506493 /nfs/dbraw/zinc/50/64/93/894506493.db2.gz AUEIITXOSPZLCR-UHFFFAOYSA-N -1 0 391.811 3.688 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1 ZINC000132751686 897893016 /nfs/dbraw/zinc/89/30/16/897893016.db2.gz ZNVDVYQSFHWTFJ-UHFFFAOYSA-N -1 0 379.781 3.704 20 5 GHBDRM COCCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](C)c1ccccc1 ZINC001136455256 897900913 /nfs/dbraw/zinc/90/09/13/897900913.db2.gz ZKNKENXWHAVFPW-GFCCVEGCSA-N -1 0 378.812 3.804 20 5 GHBDRM Cc1ccc(C[C@@H]2CCCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2)cc1 ZINC000569422622 898645556 /nfs/dbraw/zinc/64/55/56/898645556.db2.gz IMSBAXZSOVNZGP-INIZCTEOSA-N -1 0 382.416 3.696 20 5 GHBDRM Cc1cc(N2CCC(O)(c3ccccc3Cl)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000844219749 900585829 /nfs/dbraw/zinc/58/58/29/900585829.db2.gz VOQAVUFHSRBWSQ-UHFFFAOYSA-N -1 0 390.823 3.743 20 5 GHBDRM Cc1ccc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c(N2CCCC2)n1 ZINC000844209270 900603696 /nfs/dbraw/zinc/60/36/96/900603696.db2.gz JWNCLKINVAENIG-RMKNXTFCSA-N -1 0 382.420 3.608 20 5 GHBDRM O=C(NCCc1nc(C2CCCCC2)cs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001143974093 900853980 /nfs/dbraw/zinc/85/39/80/900853980.db2.gz CYYKQFYNOSQLFV-UHFFFAOYSA-N -1 0 375.450 3.777 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccccc2OCc2ccccc2)n1 ZINC000575805502 901320998 /nfs/dbraw/zinc/32/09/98/901320998.db2.gz NBAPRKBZMATYRH-UHFFFAOYSA-N -1 0 379.372 3.879 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc(N3CC[C@H](C(=O)[O-])[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000600799065 902935468 /nfs/dbraw/zinc/93/54/68/902935468.db2.gz CZIPWZWRJMPWGP-YOEHRIQHSA-N -1 0 397.431 3.703 20 5 GHBDRM C[C@@H](Cc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cc1)C(=O)[O-] ZINC000600868040 903027146 /nfs/dbraw/zinc/02/71/46/903027146.db2.gz FMEYLMFNOVBPRN-AWEZNQCLSA-N -1 0 382.416 3.918 20 5 GHBDRM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000600877976 903038788 /nfs/dbraw/zinc/03/87/88/903038788.db2.gz UPOQDLJVNWUOLL-KRWDZBQOSA-N -1 0 386.379 3.840 20 5 GHBDRM C[C@H](Cc1ccccc1Cl)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600879319 903039572 /nfs/dbraw/zinc/03/95/72/903039572.db2.gz WKYVVUANAZUZHF-BLVKFPJESA-N -1 0 390.823 3.543 20 5 GHBDRM C[C@H](C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000600880496 903040872 /nfs/dbraw/zinc/04/08/72/903040872.db2.gz ZYDOLOFIFACRKJ-FVMDXXJSSA-N -1 0 382.825 3.529 20 5 GHBDRM O=C([O-])Cc1ccc(N2CCC(c3ccc4cccnc4n3)CC2)c([N+](=O)[O-])c1 ZINC000846777873 903196811 /nfs/dbraw/zinc/19/68/11/903196811.db2.gz PKSCRTWELYDCRD-UHFFFAOYSA-N -1 0 392.415 3.549 20 5 GHBDRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191799037 907249494 /nfs/dbraw/zinc/24/94/94/907249494.db2.gz IVPYTUDFZUIARW-UHFFFAOYSA-N -1 0 387.417 3.976 20 5 GHBDRM CC(C)(C)c1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n(-c2cccnc2)n1 ZINC001176673453 908202755 /nfs/dbraw/zinc/20/27/55/908202755.db2.gz YZWIPFRWUIKHAS-UHFFFAOYSA-N -1 0 381.392 3.915 20 5 GHBDRM O=C([O-])c1cc(Nc2ccccc2S(=O)(=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC001176678544 908206969 /nfs/dbraw/zinc/20/69/69/908206969.db2.gz SQJSZOHZEUIZBM-UHFFFAOYSA-N -1 0 398.396 3.869 20 5 GHBDRM Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795360686 910048355 /nfs/dbraw/zinc/04/83/55/910048355.db2.gz NWELCMKHTUTXQZ-UHFFFAOYSA-N -1 0 380.184 3.545 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000291073257 914956464 /nfs/dbraw/zinc/95/64/64/914956464.db2.gz YXGLOJUWOVKQBN-UHFFFAOYSA-N -1 0 385.351 3.601 20 5 GHBDRM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccc(F)cc1F ZINC001187808792 915528194 /nfs/dbraw/zinc/52/81/94/915528194.db2.gz GXQRPEKXTXKFFR-ZETCQYMHSA-N -1 0 394.758 3.705 20 5 GHBDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000775221839 916429489 /nfs/dbraw/zinc/42/94/89/916429489.db2.gz NYVBZJYZGAIXFW-UHFFFAOYSA-N -1 0 394.474 3.522 20 5 GHBDRM CC1(C)CCc2ccccc2[C@H](NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC001189570184 916744267 /nfs/dbraw/zinc/74/42/67/916744267.db2.gz KOOJLQLGFNCWGO-MRXNPFEDSA-N -1 0 390.461 3.683 20 5 GHBDRM CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)CC2 ZINC000775295558 916844046 /nfs/dbraw/zinc/84/40/46/916844046.db2.gz RKPYILATMUGRLQ-UHFFFAOYSA-N -1 0 399.403 3.850 20 5 GHBDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n(C(C)(C)C)n1 ZINC000119988279 919674748 /nfs/dbraw/zinc/67/47/48/919674748.db2.gz JCNPZCYQLVJOQJ-UHFFFAOYSA-N -1 0 386.499 3.706 20 5 GHBDRM Cc1cc(=O)c(COC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)n[n-]1 ZINC000802172482 921878112 /nfs/dbraw/zinc/87/81/12/921878112.db2.gz LZJVFIMEWDMYPF-UHFFFAOYSA-N -1 0 391.449 3.894 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2nc(Cc3ccccc3)cs2)c([N+](=O)[O-])c1 ZINC000409492726 924692648 /nfs/dbraw/zinc/69/26/48/924692648.db2.gz RHWNGTUAYZAZLG-UHFFFAOYSA-N -1 0 389.458 3.751 20 5 GHBDRM O=C(N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1cccc(F)c1[O-] ZINC001276046586 924823384 /nfs/dbraw/zinc/82/33/84/924823384.db2.gz XPXWRTJTWKOZFB-CYBMUJFWSA-N -1 0 376.237 3.612 20 5 GHBDRM CCOc1cccc2cc([C@@H](C)NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)oc21 ZINC000409960205 925189963 /nfs/dbraw/zinc/18/99/63/925189963.db2.gz WLQBTPRJENZZLQ-LLVKDONJSA-N -1 0 398.371 3.929 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)nc1 ZINC000726929396 926937762 /nfs/dbraw/zinc/93/77/62/926937762.db2.gz CZQLIMSILXDRSM-UHFFFAOYSA-N -1 0 397.840 3.765 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000467018015 928594286 /nfs/dbraw/zinc/59/42/86/928594286.db2.gz CFBQZKLVFNHEMW-GFCCVEGCSA-N -1 0 398.359 3.686 20 5 GHBDRM CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000753976692 929619205 /nfs/dbraw/zinc/61/92/05/929619205.db2.gz REYJNTVSBNQGFV-UHFFFAOYSA-N -1 0 387.392 3.829 20 5 GHBDRM O=C(Nc1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1)c1cccs1 ZINC000469446696 929898873 /nfs/dbraw/zinc/89/88/73/929898873.db2.gz RPMSQPHQYPXCEX-UHFFFAOYSA-N -1 0 383.385 3.867 20 5 GHBDRM O=C(Nc1nnc(SCc2ccccc2)s1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469571944 929998748 /nfs/dbraw/zinc/99/87/48/929998748.db2.gz CFSZGDQDPKNIJY-UHFFFAOYSA-N -1 0 388.430 3.697 20 5 GHBDRM Cc1ccc(-c2ncccc2[N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])s1 ZINC000783535816 931575274 /nfs/dbraw/zinc/57/52/74/931575274.db2.gz SRBBLOVGJYKLBS-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1 ZINC000798246685 932575298 /nfs/dbraw/zinc/57/52/98/932575298.db2.gz DZNPPLAJEWUMPE-UHFFFAOYSA-N -1 0 381.168 3.547 20 5 GHBDRM O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1CCCc2ccccc21 ZINC000798271322 932585054 /nfs/dbraw/zinc/58/50/54/932585054.db2.gz HVKOZEXKNXJGGR-UHFFFAOYSA-N -1 0 398.806 3.733 20 5 GHBDRM C[C@@H](C1CC1)N(C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])C1CC1 ZINC000798284779 932593236 /nfs/dbraw/zinc/59/32/36/932593236.db2.gz JKCFRYCLTNHWIG-JTQLQIEISA-N -1 0 390.827 3.543 20 5 GHBDRM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000799125682 932883237 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386.417 3.754 20 5 GHBDRM O=[N+]([O-])c1cccc([C@@H]([N-]S(=O)(=O)CCC2CCCC2)C(F)(F)F)c1F ZINC000840955376 1027983599 /nfs/dbraw/zinc/98/35/99/1027983599.db2.gz VUZOCUXIJRPXMZ-CQSZACIVSA-N -1 0 398.378 3.837 20 5 GHBDRM Nc1cc2nc3ccccc3n(-c3cc(C(=O)[O-])c(Cl)cc3F)c-2cc1=O ZINC001214749810 1028899251 /nfs/dbraw/zinc/89/92/51/1028899251.db2.gz JTRPEGSBSUUWSV-UHFFFAOYSA-N -1 0 383.766 3.563 20 5 GHBDRM CCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000842450346 1029285356 /nfs/dbraw/zinc/28/53/56/1029285356.db2.gz ANBDPQIEDVQMIK-AWEZNQCLSA-N -1 0 396.387 3.635 20 5 GHBDRM COc1c(Br)cccc1-c1noc(-c2cc([O-])ccc2[N+](=O)[O-])n1 ZINC001216678710 1029728132 /nfs/dbraw/zinc/72/81/32/1029728132.db2.gz RPPOOKPBNMXUPG-UHFFFAOYSA-N -1 0 392.165 3.789 20 5 GHBDRM COc1cc(-c2nc(-c3ccc4c(c3)CCCC4=O)no2)cc([N+](=O)[O-])c1[O-] ZINC001216837214 1029955676 /nfs/dbraw/zinc/95/56/76/1029955676.db2.gz QZPDUAORFYHZEU-UHFFFAOYSA-N -1 0 381.344 3.545 20 5 GHBDRM COc1cc(-c2nc(-c3cnc(C)cc3C(F)(F)F)no2)cc([N+](=O)[O-])c1[O-] ZINC001216839414 1029956522 /nfs/dbraw/zinc/95/65/22/1029956522.db2.gz TVCUSXCHCPJZHH-UHFFFAOYSA-N -1 0 396.281 3.748 20 5 GHBDRM COc1ccc(-c2noc(-c3ccc(C)c([O-])c3[N+](=O)[O-])n2)c(Cl)c1OC ZINC001216856755 1029966274 /nfs/dbraw/zinc/96/62/74/1029966274.db2.gz MLBPVJNUEGWDAL-UHFFFAOYSA-N -1 0 391.767 3.996 20 5 GHBDRM COc1cc(-c2noc(-c3ccc([O-])cc3[N+](=O)[O-])n2)cc(Cl)c1OC ZINC001216894824 1029984874 /nfs/dbraw/zinc/98/48/74/1029984874.db2.gz XBRYUVKBUMEXKU-UHFFFAOYSA-N -1 0 377.740 3.688 20 5 GHBDRM O=[N+]([O-])c1cc([O-])cc(-c2nc(-c3ccc(OCc4ccccc4)cn3)no2)c1 ZINC001216924682 1030005385 /nfs/dbraw/zinc/00/53/85/1030005385.db2.gz BABOMKPUIMZLHT-UHFFFAOYSA-N -1 0 390.355 3.991 20 5 GHBDRM Cc1cc([O-])c(-c2nc(-c3ncc(Br)cc3C)no2)cc1[N+](=O)[O-] ZINC001216946651 1030018772 /nfs/dbraw/zinc/01/87/72/1030018772.db2.gz XBAOPBFMGSETIV-UHFFFAOYSA-N -1 0 391.181 3.792 20 5 GHBDRM COc1cc2c(cc1-c1noc(-c3cc([N+](=O)[O-])c([O-])cc3C)n1)CCCC2=O 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RBCDNBKZHGRLJA-UHFFFAOYSA-N -1 0 399.812 3.573 20 5 GHBDRM COc1cc(OC)cc(-c2nnc(-c3cc([O-])c(Cl)cc3[N+](=O)[O-])o2)c1 ZINC001253930121 1039909477 /nfs/dbraw/zinc/90/94/77/1039909477.db2.gz WDOXKTLIGJGSOY-UHFFFAOYSA-N -1 0 377.740 3.688 20 5 GHBDRM CC(C)=CCc1c([O-])cc(OC2CN(C)C2)c2c(=O)c3cccc(O)c3oc12 ZINC001234738367 1040266435 /nfs/dbraw/zinc/26/64/35/1040266435.db2.gz AXEWCQRBIQEPOF-UHFFFAOYSA-N -1 0 381.428 3.559 20 5 GHBDRM CC(C)Oc1ccc(-c2nnc(-c3cc(=O)c4cc([N+](=O)[O-])ccc4[n-]3)o2)cc1 ZINC001256871188 1043711989 /nfs/dbraw/zinc/71/19/89/1043711989.db2.gz DQOFYDVSCQZFPE-UHFFFAOYSA-N -1 0 392.371 3.941 20 5 GHBDRM CCCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1C[C@H](OCC)C12CCCC2 ZINC001293673599 1044288275 /nfs/dbraw/zinc/28/82/75/1044288275.db2.gz UCRXQSINNURVKC-IRXDYDNUSA-N -1 0 376.453 3.890 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@H](CNc2ccc(Cl)cc2)C1 ZINC001303918547 1047533810 /nfs/dbraw/zinc/53/38/10/1047533810.db2.gz PURZHSYSAXKQEC-ZDUSSCGKSA-N -1 0 389.839 3.918 20 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C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001445411791 1059524080 /nfs/dbraw/zinc/52/40/80/1059524080.db2.gz ZGHROLQEBJIHCH-SKVICXGVSA-N -1 0 396.852 3.524 20 5 GHBDRM CCCCCCN(Cc1ccc(C)o1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001464588607 1065097971 /nfs/dbraw/zinc/09/79/71/1065097971.db2.gz ZGOMWUMXNZOPBB-UHFFFAOYSA-N -1 0 396.465 3.973 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc2c(Br)cccc2cn1 ZINC001466629325 1066222072 /nfs/dbraw/zinc/22/20/72/1066222072.db2.gz YRUHSRBZHWFJRK-UHFFFAOYSA-N -1 0 388.177 3.863 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](CC2CCCC2)c2ccccc2)ccc1[O-] ZINC001475122448 1074746085 /nfs/dbraw/zinc/74/60/85/1074746085.db2.gz PIHFYOOKWKYNDZ-KRWDZBQOSA-N -1 0 390.461 3.900 20 5 GHBDRM O=C([O-])c1cc(C(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)cc([N+](=O)[O-])c1 ZINC000738674053 599754858 /nfs/dbraw/zinc/75/48/58/599754858.db2.gz XMXXOIOYKVELNQ-UHFFFAOYSA-N -1 0 397.318 3.872 20 5 GHBDRM O=C([O-])c1cc(C(=O)OCc2cc(F)ccc2Br)cc([N+](=O)[O-])c1 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383.404 3.661 20 5 GHBDRM C[C@H]1SCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000262156744 600482474 /nfs/dbraw/zinc/48/24/74/600482474.db2.gz PDXIEWOITRJKEQ-SJKOYZFVSA-N -1 0 386.429 3.612 20 5 GHBDRM CN(C(=O)[O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000737336265 600525530 /nfs/dbraw/zinc/52/55/30/600525530.db2.gz ONEXMTBBJFKGHZ-UHFFFAOYSA-N -1 0 394.181 3.724 20 5 GHBDRM COc1ccc(CCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000737986894 600543410 /nfs/dbraw/zinc/54/34/10/600543410.db2.gz LUHNCUNTYVZAHY-UHFFFAOYSA-N -1 0 378.768 3.526 20 5 GHBDRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738399833 600543513 /nfs/dbraw/zinc/54/35/13/600543513.db2.gz VLZKLFNHXUJPNP-JTQLQIEISA-N -1 0 378.768 3.661 20 5 GHBDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000737876811 600584106 /nfs/dbraw/zinc/58/41/06/600584106.db2.gz CKSPQTGHQWLQTJ-HYXAFXHYSA-N -1 0 377.736 3.574 20 5 GHBDRM O=C([O-])CN(CCc1ccc(Cl)cc1Cl)C(=O)c1ccccc1[N+](=O)[O-] ZINC000739794148 600608015 /nfs/dbraw/zinc/60/80/15/600608015.db2.gz UVMYZFPQAGRGKH-UHFFFAOYSA-N -1 0 397.214 3.671 20 5 GHBDRM O=C([O-])c1cc(O[C@@H]2CCCN(c3ccccc3Cl)C2=O)ccc1[N+](=O)[O-] ZINC000833300959 600804940 /nfs/dbraw/zinc/80/49/40/600804940.db2.gz QXNCDLMGCCXVPU-MRXNPFEDSA-N -1 0 390.779 3.521 20 5 GHBDRM O=C([O-])/C=C/c1ccc(Nc2ccc(N3CCSCC3)cc2)c([N+](=O)[O-])c1 ZINC000833197525 600815756 /nfs/dbraw/zinc/81/57/56/600815756.db2.gz QNCNTOLLXRZPRU-KRXBUXKQSA-N -1 0 385.445 3.989 20 5 GHBDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000262542772 600879394 /nfs/dbraw/zinc/87/93/94/600879394.db2.gz VKDHDROROQBHNY-UHFFFAOYSA-N -1 0 383.404 3.784 20 5 GHBDRM Cc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000486387096 600880644 /nfs/dbraw/zinc/88/06/44/600880644.db2.gz IIXSOGJNPIIHPM-CQSZACIVSA-N -1 0 396.321 3.520 20 5 GHBDRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000833188054 600942354 /nfs/dbraw/zinc/94/23/54/600942354.db2.gz VNTJBIATNSMWPV-RYUDHWBXSA-N -1 0 375.406 3.548 20 5 GHBDRM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000833199155 600980548 /nfs/dbraw/zinc/98/05/48/600980548.db2.gz QQXXWKUFDMEGES-CYBMUJFWSA-N -1 0 383.187 3.847 20 5 GHBDRM Cc1ccc(-c2noc([C@H](C)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)n2)cc1F ZINC000832907809 601056300 /nfs/dbraw/zinc/05/63/00/601056300.db2.gz NEVINIYQWPGAJD-JTQLQIEISA-N -1 0 387.323 3.931 20 5 GHBDRM O=C([O-])c1cc(C(=O)OCc2ccccc2OCC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000833297587 601065220 /nfs/dbraw/zinc/06/52/20/601065220.db2.gz HBZAFRZBACGOSW-UHFFFAOYSA-N -1 0 399.277 3.591 20 5 GHBDRM CSc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000832774160 601081357 /nfs/dbraw/zinc/08/13/57/601081357.db2.gz CBFMAZCUKZSWJX-HOCLYGCPSA-N -1 0 392.477 3.812 20 5 GHBDRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000833176885 601091501 /nfs/dbraw/zinc/09/15/01/601091501.db2.gz JAUXILLCVJOOTD-RHSMWYFYSA-N -1 0 394.855 3.673 20 5 GHBDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000833182012 601152371 /nfs/dbraw/zinc/15/23/71/601152371.db2.gz QLLDBECEOWWPJU-CHWSQXEVSA-N -1 0 380.828 3.882 20 5 GHBDRM O=C([O-])CSCc1cccc(Nc2ncc([N+](=O)[O-])cc2Br)c1 ZINC000833264116 601225679 /nfs/dbraw/zinc/22/56/79/601225679.db2.gz XKIDTTFCVHWTSV-UHFFFAOYSA-N -1 0 398.238 3.814 20 5 GHBDRM CCc1oc(C(=O)[O-])cc1COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000830390676 601467705 /nfs/dbraw/zinc/46/77/05/601467705.db2.gz MYIAEEGGQIHGLT-UHFFFAOYSA-N -1 0 387.266 3.824 20 5 GHBDRM Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc(C)c1OCC(=O)[O-] ZINC000832865121 601549896 /nfs/dbraw/zinc/54/98/96/601549896.db2.gz NTCPBRDVINLFLL-UHFFFAOYSA-N -1 0 378.768 3.581 20 5 GHBDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000826039267 601615130 /nfs/dbraw/zinc/61/51/30/601615130.db2.gz QACHEGXYJCIVEZ-MEBBXXQBSA-N -1 0 377.784 3.832 20 5 GHBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000262120913 601674057 /nfs/dbraw/zinc/67/40/57/601674057.db2.gz IULGOYGBPMPKJV-KRWDZBQOSA-N -1 0 388.445 3.582 20 5 GHBDRM Cc1c(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000832856797 601685440 /nfs/dbraw/zinc/68/54/40/601685440.db2.gz VDECPCAELKDMDM-AWEZNQCLSA-N -1 0 377.784 3.894 20 5 GHBDRM CC(C)(C(=O)Oc1ccc(SCC(=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000826126511 601874797 /nfs/dbraw/zinc/87/47/97/601874797.db2.gz DZCZMUNUSAMNDP-UHFFFAOYSA-N -1 0 375.402 3.655 20 5 GHBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830806263 601903395 /nfs/dbraw/zinc/90/33/95/601903395.db2.gz JTKWMTIWYRMYRD-OAHLLOKOSA-N -1 0 388.729 3.923 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCc2ccnc(N3CCCC3)c2)cc1Cl ZINC000833306616 602251106 /nfs/dbraw/zinc/25/11/06/602251106.db2.gz DOYVMQDJPRHNBW-UHFFFAOYSA-N -1 0 376.800 3.554 20 5 GHBDRM Cc1cc(N[C@H](C)c2ccc(N3CCOC3=O)cc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897167 602315366 /nfs/dbraw/zinc/31/53/66/602315366.db2.gz MKADXJRJFAEYCA-GFCCVEGCSA-N -1 0 385.376 3.731 20 5 GHBDRM O=C([O-])Nc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000740709808 602644194 /nfs/dbraw/zinc/64/41/94/602644194.db2.gz RPOSEOYKHXHYHO-UHFFFAOYSA-N -1 0 383.282 3.885 20 5 GHBDRM O=C([O-])N1CCc2c(cccc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000740474069 603177567 /nfs/dbraw/zinc/17/75/67/603177567.db2.gz OHBWBFPLHOYTRJ-UHFFFAOYSA-N -1 0 381.344 3.629 20 5 GHBDRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000740075587 603297003 /nfs/dbraw/zinc/29/70/03/603297003.db2.gz HKQSAMRNXKEQME-UHFFFAOYSA-N -1 0 383.404 3.788 20 5 GHBDRM CN(Cc1nc(-c2ccccc2)c[nH]1)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000830874952 604272428 /nfs/dbraw/zinc/27/24/28/604272428.db2.gz QWFYSRVCRWHWFQ-UHFFFAOYSA-N -1 0 386.795 3.973 20 5 GHBDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000826102846 604375118 /nfs/dbraw/zinc/37/51/18/604375118.db2.gz JXZISGAHRIOPAV-KRWDZBQOSA-N -1 0 381.388 3.658 20 5 GHBDRM Cc1cc([C@H](C)OC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)oc1C(=O)[O-] ZINC000832874838 604549023 /nfs/dbraw/zinc/54/90/23/604549023.db2.gz LWLLNCJSKYKJJK-WDEREUQCSA-N -1 0 379.390 3.979 20 5 GHBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1 ZINC000832777336 604600892 /nfs/dbraw/zinc/60/08/92/604600892.db2.gz IODMEAXGABCIAZ-AWEZNQCLSA-N -1 0 396.371 3.541 20 5 GHBDRM C[C@@H]1C[C@H](CNc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000833599215 604836938 /nfs/dbraw/zinc/83/69/38/604836938.db2.gz ZYCNADAXDPFHLA-ZIAGYGMSSA-N -1 0 398.415 3.751 20 5 GHBDRM C[C@H](Nc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000833524780 605036285 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Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000535746238 844387286 /nfs/dbraw/zinc/38/72/86/844387286.db2.gz ZHHJIWLWYPLVLZ-UHFFFAOYSA-N -1 0 391.405 3.674 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cncc3ccccc32)cc1[N+](=O)[O-] ZINC000536183273 839136601 /nfs/dbraw/zinc/13/66/01/839136601.db2.gz ZIAKCPQLLMESHH-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM O=C1OC(c2ccc(C(F)(F)F)cc2)=N/C1=C\c1ccc([N+](=O)[O-])c([O-])c1 ZINC000748158672 839145768 /nfs/dbraw/zinc/14/57/68/839145768.db2.gz SKVLENKYBWMPJB-GHXNOFRVSA-N -1 0 378.262 3.664 20 5 GHBDRM CC(C)c1nc(/C=C\c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ncc1C(=O)[O-] ZINC000255511341 839537206 /nfs/dbraw/zinc/53/72/06/839537206.db2.gz XQYMYCBFEZPKCS-TWGQIWQCSA-N -1 0 393.403 3.777 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc3ccccc3n2C2CCCC2)cc1 ZINC000610149656 839905451 /nfs/dbraw/zinc/90/54/51/839905451.db2.gz MHOYCOFJIGOXQR-UHFFFAOYSA-N -1 0 386.433 3.860 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2ncc(C)o2)c1 ZINC000517520006 839999786 /nfs/dbraw/zinc/99/97/86/839999786.db2.gz UWFFJQSGQPSZGA-UHFFFAOYSA-N -1 0 387.417 3.921 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(OCc2ccncc2)cc1 ZINC000046882337 841903573 /nfs/dbraw/zinc/90/35/73/841903573.db2.gz GURSNHZRKAHHCG-ZZXKWVIFSA-N -1 0 377.356 3.832 20 5 GHBDRM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000055584641 861261560 /nfs/dbraw/zinc/26/15/60/861261560.db2.gz JBBQXTWPAIZGDY-UHFFFAOYSA-N -1 0 397.840 3.644 20 5 GHBDRM Cc1ccccc1CN(Cc1ccccn1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181977311 842077785 /nfs/dbraw/zinc/07/77/85/842077785.db2.gz SDHBPAUWETUZHM-UHFFFAOYSA-N -1 0 377.400 3.846 20 5 GHBDRM C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000111657019 842088087 /nfs/dbraw/zinc/08/80/87/842088087.db2.gz UTJXFJCGKRCKRJ-GTNSWQLSSA-N -1 0 376.796 3.556 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000119528380 842263470 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CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000511065874 846228222 /nfs/dbraw/zinc/22/82/22/846228222.db2.gz UPCDFLJNJXFRKA-SNVBAGLBSA-N -1 0 396.494 3.720 20 5 GHBDRM CC(C)c1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000263518759 846274556 /nfs/dbraw/zinc/27/45/56/846274556.db2.gz FZWTUGZTCVIISJ-MSOLQXFVSA-N -1 0 382.416 3.659 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)c1[N+](=O)[O-] ZINC000479127075 847490367 /nfs/dbraw/zinc/49/03/67/847490367.db2.gz YYLSNQBHIWWOEA-UHFFFAOYSA-N -1 0 397.456 3.998 20 5 GHBDRM O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183905756 847535060 /nfs/dbraw/zinc/53/50/60/847535060.db2.gz AVHINYRVWYNAOU-UHFFFAOYSA-N -1 0 389.314 3.805 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCCC3)cc1[N+](=O)[O-] ZINC000421174703 847842538 /nfs/dbraw/zinc/84/25/38/847842538.db2.gz OTOLNHQQUCGYGC-UHFFFAOYSA-N -1 0 380.447 3.675 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3cccc(Cl)c3n2)c(F)c1 ZINC000502413510 847873408 /nfs/dbraw/zinc/87/34/08/847873408.db2.gz IBKKLIYQZBBSIM-UHFFFAOYSA-N -1 0 381.772 3.736 20 5 GHBDRM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166130830 848097131 /nfs/dbraw/zinc/09/71/31/848097131.db2.gz BZTVPFVQXANCPK-UHFFFAOYSA-N -1 0 381.392 3.756 20 5 GHBDRM O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000029795027 862077281 /nfs/dbraw/zinc/07/72/81/862077281.db2.gz VRKRGCAMZSFOGY-UHFFFAOYSA-N -1 0 380.385 3.929 20 5 GHBDRM CCN(CC)c1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000514626265 850072490 /nfs/dbraw/zinc/07/24/90/850072490.db2.gz AJLBLHBQZBTXOP-UHFFFAOYSA-N -1 0 377.466 3.859 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2noc(=N[C@@H](c3nccs3)c3ccccc3)[n-]2)cc1 ZINC000486968845 850285794 /nfs/dbraw/zinc/28/57/94/850285794.db2.gz PGGABVGRKCJDJV-OAHLLOKOSA-N -1 0 379.401 3.725 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2noc(=NCc3cccc(OCC(F)(F)F)c3)[n-]2)cc1 ZINC000486977451 850310284 /nfs/dbraw/zinc/31/02/84/850310284.db2.gz WZMGNXGQUDZSGC-UHFFFAOYSA-N -1 0 394.309 3.620 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccc(SC(F)F)c1 ZINC000171346844 862130141 /nfs/dbraw/zinc/13/01/41/862130141.db2.gz ASLBDRPDSIZSAH-UHFFFAOYSA-N -1 0 378.353 3.849 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cnccc1-c1cccc(F)c1 ZINC000439884666 850544558 /nfs/dbraw/zinc/54/45/58/850544558.db2.gz WCJAUPVJMKTPEY-UHFFFAOYSA-N -1 0 387.392 3.905 20 5 GHBDRM O=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000505242487 850771169 /nfs/dbraw/zinc/77/11/69/850771169.db2.gz LMMLMMDCGUAOSM-UHFFFAOYSA-N -1 0 396.374 3.949 20 5 GHBDRM CC(C)Cn1ncc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1C1CC1 ZINC000515399322 850978349 /nfs/dbraw/zinc/97/83/49/850978349.db2.gz HVJYFUFVFWDIAP-UHFFFAOYSA-N -1 0 384.483 3.533 20 5 GHBDRM Cc1ccc(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c(OC[C@H]2CCOC2)c1 ZINC000515487876 851098055 /nfs/dbraw/zinc/09/80/55/851098055.db2.gz ZZIHYXXKTDHGDL-AWEZNQCLSA-N -1 0 386.404 3.629 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2[nH]c(C3CCC3)nc2c1 ZINC000436003876 851100780 /nfs/dbraw/zinc/10/07/80/851100780.db2.gz ISBHLYDWGKWJJQ-UHFFFAOYSA-N -1 0 386.433 3.848 20 5 GHBDRM O=C([O-])C1(C(F)(F)F)CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000910471481 851220842 /nfs/dbraw/zinc/22/08/42/851220842.db2.gz QIJJFYPWLZLHRN-UHFFFAOYSA-N -1 0 386.248 3.847 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000028260313 851312975 /nfs/dbraw/zinc/31/29/75/851312975.db2.gz FOGULYNKTZAYNY-UHFFFAOYSA-N -1 0 392.433 3.726 20 5 GHBDRM CC(C)(C)C[C@H](NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000603640624 862254230 /nfs/dbraw/zinc/25/42/30/862254230.db2.gz OYVREHPQQVWYIY-HNNXBMFYSA-N -1 0 378.450 3.756 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CSc1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000436473122 851959617 /nfs/dbraw/zinc/95/96/17/851959617.db2.gz DPWLJQAINMGPSP-UHFFFAOYSA-N -1 0 397.391 3.861 20 5 GHBDRM Cc1ccc([C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)[O-])cc1 ZINC000426710213 852318730 /nfs/dbraw/zinc/31/87/30/852318730.db2.gz HYYAGVQZSGSOJJ-QGZVFWFLSA-N -1 0 383.429 3.942 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)C(C)(C)C)cc1 ZINC000425997323 852342687 /nfs/dbraw/zinc/34/26/87/852342687.db2.gz BHNDZIDJVRYBQL-UHFFFAOYSA-N -1 0 392.433 3.633 20 5 GHBDRM COc1ccccc1[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000426816535 852428013 /nfs/dbraw/zinc/42/80/13/852428013.db2.gz LGALIGONDCBBRT-LJQANCHMSA-N -1 0 382.372 3.779 20 5 GHBDRM COc1cccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1OC1CCCC1 ZINC000436963179 852534311 /nfs/dbraw/zinc/53/43/11/852534311.db2.gz KESAHZKVLFSBBT-UHFFFAOYSA-N -1 0 386.404 3.560 20 5 GHBDRM O=C(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436950813 852540481 /nfs/dbraw/zinc/54/04/81/852540481.db2.gz DDIHVSTVKDJNEI-AWEZNQCLSA-N -1 0 396.428 3.872 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000436973657 852558580 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390.446 3.531 20 5 GHBDRM CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164466490 854510144 /nfs/dbraw/zinc/51/01/44/854510144.db2.gz ATEAJAVEZLBCKE-MRXNPFEDSA-N -1 0 380.404 3.647 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])nn1C1CCCCC1 ZINC000589558955 855026214 /nfs/dbraw/zinc/02/62/14/855026214.db2.gz SCENYWYMWAYIPP-UHFFFAOYSA-N -1 0 382.417 3.545 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(-c3ccccc3C)[nH]n2)c1 ZINC000542714804 855534187 /nfs/dbraw/zinc/53/41/87/855534187.db2.gz XNTZYGHLZSXZHC-UHFFFAOYSA-N -1 0 386.433 3.711 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1[N+](=O)[O-] ZINC000466965689 855641007 /nfs/dbraw/zinc/64/10/07/855641007.db2.gz VMLXWCWATDBIQK-UHFFFAOYSA-N -1 0 379.419 3.784 20 5 GHBDRM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000184840939 856455375 /nfs/dbraw/zinc/45/53/75/856455375.db2.gz DBXCWISXVXRPEL-LBPRGKRZSA-N -1 0 387.417 3.651 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ncc(-c3ccccn3)s2)c1 ZINC000508098864 856913930 /nfs/dbraw/zinc/91/39/30/856913930.db2.gz XKAWHPPLARIAAO-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2ncco2)cc1 ZINC000157715101 857215994 /nfs/dbraw/zinc/21/59/94/857215994.db2.gz YHSBKORUEVQFAY-UHFFFAOYSA-N -1 0 379.781 3.704 20 5 GHBDRM O=[N+]([O-])c1c([N-]c2cnn(-c3ncc(Cl)cc3Cl)c2)nc2sccn21 ZINC000301706309 857256277 /nfs/dbraw/zinc/25/62/77/857256277.db2.gz SGMXFBNLTJAEOG-UHFFFAOYSA-N -1 0 396.219 3.935 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)c1[N+](=O)[O-] ZINC000486083860 857403963 /nfs/dbraw/zinc/40/39/63/857403963.db2.gz DWLVPHSCSAOVNG-UHFFFAOYSA-N -1 0 388.445 3.995 20 5 GHBDRM COc1ccc([N+](=O)[O-])c(C(=O)Nc2c(F)cc(Br)cc2F)c1 ZINC000175245392 857472371 /nfs/dbraw/zinc/47/23/71/857472371.db2.gz ZIHOOKYIPVHZKZ-UHFFFAOYSA-N -1 0 387.136 3.896 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1C(F)(F)F ZINC000509219029 862944578 /nfs/dbraw/zinc/94/45/78/862944578.db2.gz QHVSUBOOJCGQFW-UHFFFAOYSA-N -1 0 397.334 3.963 20 5 GHBDRM COc1ccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1Br ZINC000255674177 858146451 /nfs/dbraw/zinc/14/64/51/858146451.db2.gz OZNUMYHRMOGBRZ-RQOWECAXSA-N -1 0 379.166 3.630 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCO[C@@H](c2ccccc2)C1 ZINC000592758003 858187811 /nfs/dbraw/zinc/18/78/11/858187811.db2.gz CNZRAIOLVDGFPI-MRXNPFEDSA-N -1 0 376.796 3.558 20 5 GHBDRM COc1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C2CC2)cc1Cl ZINC000594465070 858198707 /nfs/dbraw/zinc/19/87/07/858198707.db2.gz UOOYNOOLCSTGFB-UHFFFAOYSA-N -1 0 398.824 3.641 20 5 GHBDRM O=C([O-])CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C1CCC1 ZINC000594466368 858199037 /nfs/dbraw/zinc/19/90/37/858199037.db2.gz NLRLMVNZSUUZDU-UHFFFAOYSA-N -1 0 386.429 3.825 20 5 GHBDRM O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592786637 858234856 /nfs/dbraw/zinc/23/48/56/858234856.db2.gz CJFNSNKCTAXVQB-CZUORRHYSA-N -1 0 394.786 3.743 20 5 GHBDRM Cc1cc(N2CCC[C@@H]2c2nccc(C(F)(F)F)n2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000594735583 858268506 /nfs/dbraw/zinc/26/85/06/858268506.db2.gz JRIYGCFNSMUOFW-GFCCVEGCSA-N -1 0 396.325 3.752 20 5 GHBDRM CCCCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1CCc2ncsc2C1 ZINC000592902893 858373071 /nfs/dbraw/zinc/37/30/71/858373071.db2.gz ULJFMHGFJRXDCH-CYBMUJFWSA-N -1 0 375.450 3.557 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000184897588 858519668 /nfs/dbraw/zinc/51/96/68/858519668.db2.gz XGTSQSREZREENV-UHFFFAOYSA-N -1 0 395.390 3.720 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000543164076 858694525 /nfs/dbraw/zinc/69/45/25/858694525.db2.gz WOFZQLIZRAVWQI-SNVBAGLBSA-N -1 0 384.845 3.525 20 5 GHBDRM O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000160293892 858783884 /nfs/dbraw/zinc/78/38/84/858783884.db2.gz ZDVBAENSMSXNEL-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM CO[C@@H](c1ccc(Br)cc1)[C@H](C)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596183546 858799709 /nfs/dbraw/zinc/79/97/09/858799709.db2.gz GFNUCMDEBHUWON-LKFCYVNXSA-N -1 0 382.214 3.646 20 5 GHBDRM Cc1cc(=NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)[n-]nc1C ZINC000522315290 859019698 /nfs/dbraw/zinc/01/96/98/859019698.db2.gz TYPGAHMEKJFHHD-UHFFFAOYSA-N -1 0 380.429 3.827 20 5 GHBDRM COc1ccnc2c([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)cccc12 ZINC000543662030 859268299 /nfs/dbraw/zinc/26/82/99/859268299.db2.gz JCLKRRHAKZZWPP-UHFFFAOYSA-N -1 0 387.417 3.569 20 5 GHBDRM CSc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)ccn1 ZINC000611231564 859662253 /nfs/dbraw/zinc/66/22/53/859662253.db2.gz YYJPFWJOLRGDLV-UHFFFAOYSA-N -1 0 393.368 3.531 20 5 GHBDRM COC(=O)/C(=C/c1cc(OC)c([O-])c([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000764982850 859725525 /nfs/dbraw/zinc/72/55/25/859725525.db2.gz AQYXNXOWOPXVQK-IZZDOVSWSA-N -1 0 392.433 3.777 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(F)cc2)s1 ZINC000123721410 860053330 /nfs/dbraw/zinc/05/33/30/860053330.db2.gz HDUNNAFUJOUJKX-SNVBAGLBSA-N -1 0 398.359 3.767 20 5 GHBDRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000474428933 860070430 /nfs/dbraw/zinc/07/04/30/860070430.db2.gz UQBKKDCEGFNRFI-UHFFFAOYSA-N -1 0 376.731 3.531 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000154508170 860149416 /nfs/dbraw/zinc/14/94/16/860149416.db2.gz YFBDGXSXNOMKIF-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2ccc(Br)cc2F)cccc1[N+](=O)[O-] ZINC000154508434 860149526 /nfs/dbraw/zinc/14/95/26/860149526.db2.gz GHRIRMGAQWOLLM-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=C([O-])[C@H]1CC[C@@H](c2ccccc2)N1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000598662190 860477896 /nfs/dbraw/zinc/47/78/96/860477896.db2.gz RIZVQDXQGGVIRN-RBUKOAKNSA-N -1 0 397.431 3.604 20 5 GHBDRM O=C([O-])C[C@H](c1ccccc1)C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000598661713 860478908 /nfs/dbraw/zinc/47/89/08/860478908.db2.gz LNOCDXJXAZXAMX-HXUWFJFHSA-N -1 0 396.443 3.634 20 5 GHBDRM CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000552355078 860515233 /nfs/dbraw/zinc/51/52/33/860515233.db2.gz YAWZQJUFNZFVQC-UHFFFAOYSA-N -1 0 380.404 3.540 20 5 GHBDRM CCSCc1ccnc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c1 ZINC000598734805 860535114 /nfs/dbraw/zinc/53/51/14/860535114.db2.gz OXIIMFOVZBRRAX-UHFFFAOYSA-N -1 0 381.479 3.661 20 5 GHBDRM CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1nc(C(F)(F)F)cs1 ZINC000155710103 860580930 /nfs/dbraw/zinc/58/09/30/860580930.db2.gz ZZNZKEUOQZGGCY-MRVPVSSYSA-N -1 0 375.328 3.657 20 5 GHBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000156999081 861026733 /nfs/dbraw/zinc/02/67/33/861026733.db2.gz NSMAKRJPIARJGS-UHFFFAOYSA-N -1 0 394.302 3.568 20 5 GHBDRM C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593737801 861114596 /nfs/dbraw/zinc/11/45/96/861114596.db2.gz VJWXHVMAJXHMBP-KZULUSFZSA-N -1 0 390.823 3.908 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000593738864 861119669 /nfs/dbraw/zinc/11/96/69/861119669.db2.gz MGZKECPDCUSWQU-OAHLLOKOSA-N -1 0 386.379 3.527 20 5 GHBDRM CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000734080489 863984761 /nfs/dbraw/zinc/98/47/61/863984761.db2.gz STXAKLCXIQKRTQ-ZDUSSCGKSA-N -1 0 386.445 3.535 20 5 GHBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000554262299 864007480 /nfs/dbraw/zinc/00/74/80/864007480.db2.gz ATCBMKVZBUWJTA-CYBMUJFWSA-N -1 0 378.837 3.961 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nccc(-c3ccccc3)n2)c(Cl)c1 ZINC000163218104 864303436 /nfs/dbraw/zinc/30/34/36/864303436.db2.gz ODUQQBKYWIKCDK-UHFFFAOYSA-N -1 0 390.808 3.506 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C(C)C ZINC000499269056 881841598 /nfs/dbraw/zinc/84/15/98/881841598.db2.gz YCKJVOKTMFONFX-UHFFFAOYSA-N -1 0 380.470 3.680 20 5 GHBDRM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3O)s2)cs1 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CDZQJQFIYXRYMR-SECBINFHSA-N -1 0 397.200 3.563 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cc1F ZINC000742231550 867146778 /nfs/dbraw/zinc/14/67/78/867146778.db2.gz KJHYXIMAPOLUJK-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1cc2n[nH]cc2cc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000479134390 867199620 /nfs/dbraw/zinc/19/96/20/867199620.db2.gz UEDRBTFBNLBAHC-UHFFFAOYSA-N -1 0 380.813 3.542 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000479123869 867226071 /nfs/dbraw/zinc/22/60/71/867226071.db2.gz OHSZXMLAXPXHFZ-CQSZACIVSA-N -1 0 392.330 3.624 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(OC(F)(F)F)cc3)no2)cc1[O-] ZINC000445181997 867903465 /nfs/dbraw/zinc/90/34/65/867903465.db2.gz DHSFURWLHBVCHR-UHFFFAOYSA-N -1 0 381.266 3.840 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)CCCC2CCCC2)cc1[N+](=O)[O-] ZINC000744013340 868546116 /nfs/dbraw/zinc/54/61/16/868546116.db2.gz WEVSLGNWRKLXMD-UHFFFAOYSA-N -1 0 388.873 3.722 20 5 GHBDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1-c1ccccc1 ZINC000535394089 868708391 /nfs/dbraw/zinc/70/83/91/868708391.db2.gz JYIPGVYCJBLIEA-UHFFFAOYSA-N -1 0 392.824 3.748 20 5 GHBDRM CCC(=O)c1ccc(Sc2n[n-]c(=NCC(F)(F)F)s2)c([N+](=O)[O-])c1 ZINC000479966680 868811390 /nfs/dbraw/zinc/81/13/90/868811390.db2.gz XGTDFNBZMSYBDQ-UHFFFAOYSA-N -1 0 392.384 3.586 20 5 GHBDRM C[C@H](OC(=O)c1ccc([O-])c(Cl)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000746074738 869988932 /nfs/dbraw/zinc/98/89/32/869988932.db2.gz MPMISRSATWSCDT-VIFPVBQESA-N -1 0 389.751 3.922 20 5 GHBDRM CC(C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)no1 ZINC000446966826 870783752 /nfs/dbraw/zinc/78/37/52/870783752.db2.gz OXGPIVGXKQMJCU-UHFFFAOYSA-N -1 0 379.316 3.526 20 5 GHBDRM Cc1nc2ccccc2n1CCCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000920961884 882475312 /nfs/dbraw/zinc/47/53/12/882475312.db2.gz ZFUKTFFJCXCJDI-CSKARUKUSA-N -1 0 380.404 3.853 20 5 GHBDRM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 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COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000775294612 916843167 /nfs/dbraw/zinc/84/31/67/916843167.db2.gz FAZYVDFAXBXLLH-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001190349011 917277673 /nfs/dbraw/zinc/27/76/73/917277673.db2.gz ZZDMSNAZTKNMJA-JKSUJKDBSA-N -1 0 392.452 3.986 20 5 GHBDRM CCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000796610995 918909541 /nfs/dbraw/zinc/90/95/41/918909541.db2.gz IYDNCNSCNXYJLE-HNNXBMFYSA-N -1 0 376.862 3.578 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000803022075 922604054 /nfs/dbraw/zinc/60/40/54/922604054.db2.gz YAFIZMPJQRIABJ-LBPRGKRZSA-N -1 0 390.701 3.645 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000803103846 922702034 /nfs/dbraw/zinc/70/20/34/922702034.db2.gz ZNYSVIVCMSPUBR-GFCCVEGCSA-N -1 0 380.322 3.949 20 5 GHBDRM CC(C)CCN(C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])C1CC1 ZINC000826969970 924459941 /nfs/dbraw/zinc/45/99/41/924459941.db2.gz FOFJDNNFCMUNEE-UHFFFAOYSA-N -1 0 392.843 3.790 20 5 GHBDRM CC[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)sc2C1 ZINC000409534102 924735619 /nfs/dbraw/zinc/73/56/19/924735619.db2.gz GOZGZPIZNWCFEG-VIFPVBQESA-N -1 0 385.442 3.506 20 5 GHBDRM C[C@](CC(=O)[O-])(C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC000726604503 926758666 /nfs/dbraw/zinc/75/86/66/926758666.db2.gz UGXZHNZWEMRWNG-QGZVFWFLSA-N -1 0 379.369 3.503 20 5 GHBDRM C[C@](CC(=O)[O-])(C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000467156177 928767632 /nfs/dbraw/zinc/76/76/32/928767632.db2.gz XTMRWHQLAITJOP-GOSISDBHSA-N -1 0 382.844 3.926 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1[N+](=O)[O-] ZINC000753068006 929188808 /nfs/dbraw/zinc/18/88/08/929188808.db2.gz KMWUBGOLNAFYLI-UHFFFAOYSA-N -1 0 392.824 3.748 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1c[nH]nc1-c1c(F)cccc1F ZINC000544662262 929400848 /nfs/dbraw/zinc/40/08/48/929400848.db2.gz LDBPANNSLNFKSV-UHFFFAOYSA-N -1 0 394.721 3.874 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)cc1[N+](=O)[O-] ZINC000545933442 929692847 /nfs/dbraw/zinc/69/28/47/929692847.db2.gz QSLGHKRIYNMGTF-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c2cccnc21 ZINC000780728566 930587593 /nfs/dbraw/zinc/58/75/93/930587593.db2.gz DRSSKAFSNYCLKZ-UHFFFAOYSA-N -1 0 379.344 3.881 20 5 GHBDRM O=C(Nc1ccnc(N2CCc3ccccc3C2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000557483956 931463935 /nfs/dbraw/zinc/46/39/35/931463935.db2.gz WKFROSMXYZSDAS-UHFFFAOYSA-N -1 0 390.399 3.510 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c1 ZINC000783823702 931668370 /nfs/dbraw/zinc/66/83/70/931668370.db2.gz HRKKDEFIUNBQSO-UHFFFAOYSA-N -1 0 382.825 3.682 20 5 GHBDRM CSc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000558002721 931796811 /nfs/dbraw/zinc/79/68/11/931796811.db2.gz QFWQVAOIPDRTCK-UHFFFAOYSA-N -1 0 394.836 3.697 20 5 GHBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000784583603 931948826 /nfs/dbraw/zinc/94/88/26/931948826.db2.gz OZXBRYQFQONWEC-BUHFOSPRSA-N -1 0 396.424 3.656 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2F)cc1C ZINC000559183468 932495499 /nfs/dbraw/zinc/49/54/99/932495499.db2.gz DQEGSFIBUBOUHR-UHFFFAOYSA-N -1 0 390.396 3.542 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1 ZINC000798247828 932576050 /nfs/dbraw/zinc/57/60/50/932576050.db2.gz XSSBJUNYOYKXCJ-UHFFFAOYSA-N -1 0 396.730 3.790 20 5 GHBDRM Cc1ccc([C@@H](C)NC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000559578067 932741982 /nfs/dbraw/zinc/74/19/82/932741982.db2.gz JAVKARCUOPVAGB-CABCVRRESA-N -1 0 385.420 3.649 20 5 GHBDRM O=C(NCCc1cccc(OCc2ccccc2)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000560609004 933383764 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375.431 3.828 20 5 GHBDRM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000829708221 935849405 /nfs/dbraw/zinc/84/94/05/935849405.db2.gz ILEKEXLEPHRSSF-UHFFFAOYSA-N -1 0 388.808 3.569 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2scnc2C(C)C)cc1[N+](=O)[O-] ZINC000830172955 935908936 /nfs/dbraw/zinc/90/89/36/935908936.db2.gz NCBDMBVPTPYRAK-UHFFFAOYSA-N -1 0 375.859 3.937 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1scnc1C(C)C ZINC000830173088 935909012 /nfs/dbraw/zinc/90/90/12/935909012.db2.gz QUUGHPGFULUQFG-UHFFFAOYSA-N -1 0 375.859 3.937 20 5 GHBDRM O=C([O-])[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000576653332 939740647 /nfs/dbraw/zinc/74/06/47/939740647.db2.gz XTJXPIZQONQEAI-CQSZACIVSA-N -1 0 398.202 3.527 20 5 GHBDRM O=C([O-])c1c(F)ccc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1Cl ZINC001595206245 952327827 /nfs/dbraw/zinc/32/78/27/952327827.db2.gz DJLAEYWKDQOTCX-UHFFFAOYSA-N -1 0 379.731 3.633 20 5 GHBDRM CCn1c(SCCC2(C(=O)[O-])CCC2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC001593664540 953817952 /nfs/dbraw/zinc/81/79/52/953817952.db2.gz BJSJOBVPBNKROS-UHFFFAOYSA-N -1 0 376.438 3.610 20 5 GHBDRM O=C([O-])c1ccccc1CC(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001594709857 956869528 /nfs/dbraw/zinc/86/95/28/956869528.db2.gz CSGBJTPJZNHNLA-UHFFFAOYSA-N -1 0 398.396 3.702 20 5 GHBDRM O=C(NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001154383601 1032074127 /nfs/dbraw/zinc/07/41/27/1032074127.db2.gz HARUFXATPWXSPQ-TZMCWYRMSA-N -1 0 382.750 3.733 20 5 GHBDRM COC[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(Cl)c1 ZINC001625800565 1014183040 /nfs/dbraw/zinc/18/30/40/1014183040.db2.gz HQDSVJSGKQPQFH-ZDUSSCGKSA-N -1 0 385.203 3.725 20 5 GHBDRM C[C@](CC(=O)[O-])(NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC001592305041 977669399 /nfs/dbraw/zinc/66/93/99/977669399.db2.gz VTNBWOBWWIGILN-QGZVFWFLSA-N -1 0 380.759 3.507 20 5 GHBDRM C[C@H](CCc1ccc(Br)cc1)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001592537399 978412150 /nfs/dbraw/zinc/41/21/50/978412150.db2.gz LDKRXZARVVPQJR-SNVBAGLBSA-N -1 0 394.225 3.884 20 5 GHBDRM Cn1ccnc1[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1F ZINC000754775678 978696636 /nfs/dbraw/zinc/69/66/36/978696636.db2.gz YGONQDKDCQOYGL-GXVATQTDSA-N -1 0 396.378 3.767 20 5 GHBDRM C[C@H](Cc1ccc(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1)C(=O)[O-] ZINC001592878002 979747695 /nfs/dbraw/zinc/74/76/95/979747695.db2.gz UBQZBIPHWDSUAO-GFCCVEGCSA-N -1 0 382.376 3.520 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC001595212162 979996729 /nfs/dbraw/zinc/99/67/29/979996729.db2.gz MDKJNVLGADTYPT-DYVFJYSZSA-N -1 0 375.352 3.672 20 5 GHBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001595212678 980001429 /nfs/dbraw/zinc/00/14/29/980001429.db2.gz PZUFMSYWPLEBDW-NSHDSACASA-N -1 0 389.433 3.834 20 5 GHBDRM CC[C@H](Cc1cn(C)c2ccccc12)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001595219418 980039729 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ZINC000431687716 836819046 /nfs/dbraw/zinc/81/90/46/836819046.db2.gz QSLXXZIYNUCAQR-UHFFFAOYSA-N -1 0 399.428 3.998 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(O)ccc1C(F)(F)F ZINC000189383655 838262232 /nfs/dbraw/zinc/26/22/32/838262232.db2.gz VOGFWOJTCWCKMR-UHFFFAOYSA-N -1 0 376.674 3.931 20 5 GHBDRM Cc1cc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)n1 ZINC000414463484 838369496 /nfs/dbraw/zinc/36/94/96/838369496.db2.gz VVVZFKNKDDJSAA-UHFFFAOYSA-N -1 0 389.355 3.735 20 5 GHBDRM Cc1ccc(Br)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c1 ZINC000123771119 839309596 /nfs/dbraw/zinc/30/95/96/839309596.db2.gz PPSIWHVUUFYUHM-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N(Cc1csc(Br)c1)C1CC1 ZINC000119125345 839617088 /nfs/dbraw/zinc/61/70/88/839617088.db2.gz NHPPWUKXHKVFOA-UHFFFAOYSA-N -1 0 397.250 3.929 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cccc(Br)c2F)ccc1[N+](=O)[O-] ZINC000517427704 839710427 /nfs/dbraw/zinc/71/04/27/839710427.db2.gz DCCVLDIDBDBKEE-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cnn(-c3ccc(Cl)cc3)c2)s1 ZINC000302337764 861264640 /nfs/dbraw/zinc/26/46/40/861264640.db2.gz BDXLZZPMJAZSNO-UHFFFAOYSA-N -1 0 398.853 3.643 20 5 GHBDRM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000112039774 842167273 /nfs/dbraw/zinc/16/72/73/842167273.db2.gz ITTUHFQSCCCTBS-UHFFFAOYSA-N -1 0 391.449 3.689 20 5 GHBDRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c2ncccc12 ZINC000548279860 842372834 /nfs/dbraw/zinc/37/28/34/842372834.db2.gz OBWBNDSMZQXLLS-UHFFFAOYSA-N -1 0 394.412 3.800 20 5 GHBDRM CSc1ccc(F)cc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000466889051 842508345 /nfs/dbraw/zinc/50/83/45/842508345.db2.gz RRQOZNYLPBVSIE-UHFFFAOYSA-N -1 0 390.845 3.588 20 5 GHBDRM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000134677003 842590587 /nfs/dbraw/zinc/59/05/87/842590587.db2.gz FVUXYSYSWFCNPV-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000512143626 842630126 /nfs/dbraw/zinc/63/01/26/842630126.db2.gz BQFSOCYBYBCHBY-SECBINFHSA-N -1 0 378.834 3.878 20 5 GHBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](C)c2nc(C(F)(F)F)cs2)n1 ZINC000571329892 842710474 /nfs/dbraw/zinc/71/04/74/842710474.db2.gz FWGJKMAULMGZHJ-LURJTMIESA-N -1 0 376.316 3.645 20 5 GHBDRM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)c2C)o1 ZINC000135403288 843283815 /nfs/dbraw/zinc/28/38/15/843283815.db2.gz QZGMMQBPURRPEY-UHFFFAOYSA-N -1 0 390.421 3.612 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000613896819 843328951 /nfs/dbraw/zinc/32/89/51/843328951.db2.gz NCVYZKQGWYCHPZ-UHFFFAOYSA-N -1 0 384.388 3.614 20 5 GHBDRM O=C(N=c1[n-]nc([C@H]2CCCc3ccccc32)s1)c1ccc([N+](=O)[O-])cc1 ZINC000432627783 843331119 /nfs/dbraw/zinc/33/11/19/843331119.db2.gz WDKRQDFYAPXMSV-INIZCTEOSA-N -1 0 380.429 3.589 20 5 GHBDRM CCCCOc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1OC ZINC000603921165 861404516 /nfs/dbraw/zinc/40/45/16/861404516.db2.gz OTDADMCJEDDINB-ZDUSSCGKSA-N -1 0 388.420 3.979 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000187646276 843462762 /nfs/dbraw/zinc/46/27/62/843462762.db2.gz CRJPWIQRZRQOQB-MRXNPFEDSA-N -1 0 396.321 3.533 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)sc1Cl ZINC000473481138 843821300 /nfs/dbraw/zinc/82/13/00/843821300.db2.gz UISDHAUCWMCFGC-UHFFFAOYSA-N -1 0 398.853 3.809 20 5 GHBDRM COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1SC ZINC000471982646 844684491 /nfs/dbraw/zinc/68/44/91/844684491.db2.gz CJYBJIGFUREPQR-UHFFFAOYSA-N -1 0 390.417 3.893 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(-c2ccco2)nn1C(C)C ZINC000433151414 845529823 /nfs/dbraw/zinc/52/98/23/845529823.db2.gz ZBTBRZZVZCXLDV-UHFFFAOYSA-N -1 0 390.421 3.741 20 5 GHBDRM Cc1ccc([C@H](C)NC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000263200864 845978933 /nfs/dbraw/zinc/97/89/33/845978933.db2.gz HKZHYEKKDCUUOX-MAUKXSAKSA-N -1 0 399.447 3.740 20 5 GHBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263388854 846205199 /nfs/dbraw/zinc/20/51/99/846205199.db2.gz DEKRNGMBKGQWHZ-KRWDZBQOSA-N -1 0 384.432 3.726 20 5 GHBDRM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC001143438633 846467323 /nfs/dbraw/zinc/46/73/23/846467323.db2.gz CQNRCEQQEMIDCV-CYBMUJFWSA-N -1 0 389.839 3.519 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])nn1-c1cccc(Cl)c1 ZINC000540696181 846887490 /nfs/dbraw/zinc/88/74/90/846887490.db2.gz LFTXSGADCCIRED-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000158625588 847777559 /nfs/dbraw/zinc/77/75/59/847777559.db2.gz JLPALYCALNNKQB-INIZCTEOSA-N -1 0 394.387 3.718 20 5 GHBDRM CC[C@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Nc1ccccc1)OC ZINC000421144151 847781230 /nfs/dbraw/zinc/78/12/30/847781230.db2.gz VFBHHZXVQIBGCH-OAHLLOKOSA-N -1 0 379.438 3.505 20 5 GHBDRM O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000366870189 847925158 /nfs/dbraw/zinc/92/51/58/847925158.db2.gz DPYRKBZUPXKJMG-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)ccc1F ZINC000728508483 848134521 /nfs/dbraw/zinc/13/45/21/848134521.db2.gz QVQVQBZOTLGDQV-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611555863 848149920 /nfs/dbraw/zinc/14/99/20/848149920.db2.gz STMPTESARAGLFS-UHFFFAOYSA-N -1 0 399.378 3.799 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2csc(-c3ccncc3)n2)cc1C ZINC000185963321 862002219 /nfs/dbraw/zinc/00/22/19/862002219.db2.gz CGRYDYKVJKKAPR-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1noc2cc(Cl)ccc21 ZINC000518827558 850212998 /nfs/dbraw/zinc/21/29/98/850212998.db2.gz XZBMYWWCDNKPNY-UHFFFAOYSA-N -1 0 381.797 3.807 20 5 GHBDRM COc1ccc(-c2ccc(CNC(=O)c3cc([O-])cc([N+](=O)[O-])c3)s2)cc1 ZINC000506726413 850629345 /nfs/dbraw/zinc/62/93/45/850629345.db2.gz USWRUHWVBYIPFB-UHFFFAOYSA-N -1 0 384.413 3.968 20 5 GHBDRM CC(C)OCc1ccccc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000604432184 862203266 /nfs/dbraw/zinc/20/32/66/862203266.db2.gz JPMVWICXUOKLMR-UHFFFAOYSA-N -1 0 398.868 3.652 20 5 GHBDRM COc1ccc(-c2ccc(CNCc3ccc(C(=O)[O-])c(C)n3)o2)c([N+](=O)[O-])c1 ZINC000426649966 851125281 /nfs/dbraw/zinc/12/52/81/851125281.db2.gz ZCRFCLHFULDAJG-UHFFFAOYSA-N -1 0 397.387 3.555 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)cc1[N+](=O)[O-] ZINC000604467941 862210623 /nfs/dbraw/zinc/21/06/23/862210623.db2.gz DNJVZUZADJNFDK-UHFFFAOYSA-N -1 0 387.870 3.693 20 5 GHBDRM CCc1ccc([C@H](NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000604480269 862222154 /nfs/dbraw/zinc/22/21/54/862222154.db2.gz HWMUJOVDGVOEMA-GOSISDBHSA-N -1 0 378.450 3.538 20 5 GHBDRM COc1c(F)cc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)cc1[N+](=O)[O-] ZINC000488250435 851312416 /nfs/dbraw/zinc/31/24/16/851312416.db2.gz PIKBKHYZRDIHMI-UHFFFAOYSA-N -1 0 398.412 3.546 20 5 GHBDRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000132781168 862261261 /nfs/dbraw/zinc/26/12/61/862261261.db2.gz ZKBVXEJOYXCVSN-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM COc1cc(C)c(Br)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436653225 852144777 /nfs/dbraw/zinc/14/47/77/852144777.db2.gz AOLUMCOQOPMJIL-UHFFFAOYSA-N -1 0 381.182 3.632 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1-c1nc2ccccc2[nH]1 ZINC000517688956 852256369 /nfs/dbraw/zinc/25/63/69/852256369.db2.gz NDTCHFHZHKLVSQ-UHFFFAOYSA-N -1 0 394.412 3.939 20 5 GHBDRM O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436812564 852373511 /nfs/dbraw/zinc/37/35/11/852373511.db2.gz FFZYKSGZIIBMLT-UHFFFAOYSA-N -1 0 394.265 3.622 20 5 GHBDRM CCN(CC)C(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1Cl ZINC000436908482 852475498 /nfs/dbraw/zinc/47/54/98/852475498.db2.gz JAUGRZICYQGSQK-UHFFFAOYSA-N -1 0 391.811 3.688 20 5 GHBDRM COc1ccc([C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2ccc(F)cc2)cc1 ZINC000436951048 852523758 /nfs/dbraw/zinc/52/37/58/852523758.db2.gz QWHWZOGRPSAGAS-FQEVSTJZSA-N -1 0 396.374 3.968 20 5 GHBDRM COc1ccc(F)cc1-c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000436965540 852537156 /nfs/dbraw/zinc/53/71/56/852537156.db2.gz KPFQUULPZFTWGT-UHFFFAOYSA-N -1 0 389.364 3.824 20 5 GHBDRM Cc1cc(Br)cc2c1CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC000436955335 852544718 /nfs/dbraw/zinc/54/47/18/852544718.db2.gz DRVHRKJNQSIAQF-UHFFFAOYSA-N -1 0 391.221 3.570 20 5 GHBDRM COCCSc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436971963 852555724 /nfs/dbraw/zinc/55/57/24/852555724.db2.gz QNRUVKASXGCKDK-LBPRGKRZSA-N -1 0 376.434 3.530 20 5 GHBDRM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1OCC1CCOCC1 ZINC000436974153 852557506 /nfs/dbraw/zinc/55/75/06/852557506.db2.gz WTBQWZMHZFHIKO-UHFFFAOYSA-N -1 0 386.404 3.667 20 5 GHBDRM O=C(NCCc1cc(Cl)ccc1Br)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436984499 852594424 /nfs/dbraw/zinc/59/44/24/852594424.db2.gz FSCXVNBZDFMZSL-UHFFFAOYSA-N -1 0 399.628 3.689 20 5 GHBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)c2ccccc2N1Cc1ccccc1 ZINC000438607199 852628711 /nfs/dbraw/zinc/62/87/11/852628711.db2.gz JXQKEOUBUMXMNB-HNNXBMFYSA-N -1 0 376.416 3.978 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)c([N+](=O)[O-])c1 ZINC000509566023 852970647 /nfs/dbraw/zinc/97/06/47/852970647.db2.gz CNMPBECVJMCEQX-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Oc2cccnc2)cc1 ZINC000519783209 853489645 /nfs/dbraw/zinc/48/96/45/853489645.db2.gz BIUIMQHGNVDDJW-ZDUSSCGKSA-N -1 0 379.372 3.979 20 5 GHBDRM C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H](c2ccccc2)O1 ZINC000571330167 853844573 /nfs/dbraw/zinc/84/45/73/853844573.db2.gz 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Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)C(F)(F)F ZINC000479126234 867186811 /nfs/dbraw/zinc/18/68/11/867186811.db2.gz WXZMCXOOKKHZCJ-CQSZACIVSA-N -1 0 392.330 3.624 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]nc1-c1ccccc1 ZINC000534799766 867535893 /nfs/dbraw/zinc/53/58/93/867535893.db2.gz JNKNUCNLKIGDOI-UHFFFAOYSA-N -1 0 392.824 3.748 20 5 GHBDRM COc1cc(CNc2cc(F)c(Br)c(F)c2)cc([N+](=O)[O-])c1[O-] ZINC000508516855 867730651 /nfs/dbraw/zinc/73/06/51/867730651.db2.gz TWEYYSXBMAANFG-UHFFFAOYSA-N -1 0 389.152 3.962 20 5 GHBDRM O=C(CCc1cccc([N+](=O)[O-])c1)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000445779736 868973480 /nfs/dbraw/zinc/97/34/80/868973480.db2.gz FPVVKISXDRLCTB-UHFFFAOYSA-N -1 0 388.836 3.760 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)s3)[nH]n2)s1 ZINC000539803835 869811783 /nfs/dbraw/zinc/81/17/83/869811783.db2.gz AQGKAJQNSYBGDB-UHFFFAOYSA-N -1 0 390.855 3.562 20 5 GHBDRM CN(Cc1cccc(Cl)c1Cl)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000746306868 870169891 /nfs/dbraw/zinc/16/98/91/870169891.db2.gz RCKPJJIBGJVXEF-UHFFFAOYSA-N -1 0 383.187 3.872 20 5 GHBDRM O=[N+]([O-])c1ccc(Nc2ccccc2)c([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000525367924 870513981 /nfs/dbraw/zinc/51/39/81/870513981.db2.gz HEPWHCIUFMHWIO-INIZCTEOSA-N -1 0 391.449 3.649 20 5 GHBDRM O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000538834518 870710666 /nfs/dbraw/zinc/71/06/66/870710666.db2.gz AHCWZJDFMCZDRJ-ZDUSSCGKSA-N -1 0 381.388 3.848 20 5 GHBDRM Cc1cccc(Oc2ccccc2C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000525703563 871234388 /nfs/dbraw/zinc/23/43/88/871234388.db2.gz YKZIKFOPULIOCI-UHFFFAOYSA-N -1 0 399.428 3.569 20 5 GHBDRM CC1(C)CC[C@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001193997039 871453281 /nfs/dbraw/zinc/45/32/81/871453281.db2.gz GPDGHISGYFKLNZ-HOTGVXAUSA-N -1 0 389.477 3.631 20 5 GHBDRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463515328 871961101 /nfs/dbraw/zinc/96/11/01/871961101.db2.gz JUQBUIOOBAQOBX-UHFFFAOYSA-N -1 0 387.417 3.731 20 5 GHBDRM Cc1ccc(-c2cc(=NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH][n-]2)o1 ZINC000447799239 872279834 /nfs/dbraw/zinc/27/98/34/872279834.db2.gz GSIXQBGHKQFSJU-UHFFFAOYSA-N -1 0 380.282 3.579 20 5 GHBDRM O=C([O-])c1ccc(F)c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000238163116 872297172 /nfs/dbraw/zinc/29/71/72/872297172.db2.gz VRVUFTXTGVZSAY-UHFFFAOYSA-N -1 0 387.348 3.808 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)c(C)c1 ZINC000619467366 872663151 /nfs/dbraw/zinc/66/31/51/872663151.db2.gz CRWQYJLDNWIXQA-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc2c(s1)c(C)ccc2C ZINC000619506789 872693663 /nfs/dbraw/zinc/69/36/63/872693663.db2.gz IIVOBLKKWDZMGD-UHFFFAOYSA-N -1 0 393.446 3.631 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000768605167 873439393 /nfs/dbraw/zinc/43/93/93/873439393.db2.gz MVLPQQCCJCBIMS-LBPRGKRZSA-N -1 0 380.322 3.949 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)c1C ZINC000768868458 873631168 /nfs/dbraw/zinc/63/11/68/873631168.db2.gz NKYWTZAWQPDGHY-UHFFFAOYSA-N -1 0 385.785 3.574 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000464414288 873798708 /nfs/dbraw/zinc/79/87/08/873798708.db2.gz IUWLLRSISGMYKY-UHFFFAOYSA-N -1 0 388.854 3.780 20 5 GHBDRM Cc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(C(=O)[O-])c1 ZINC000541588766 873935360 /nfs/dbraw/zinc/93/53/60/873935360.db2.gz LXKAPOCRMKXNOJ-UHFFFAOYSA-N -1 0 383.385 3.977 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000769673278 874225762 /nfs/dbraw/zinc/22/57/62/874225762.db2.gz OJKXZPAUMCYPKA-UHFFFAOYSA-N -1 0 385.785 3.574 20 5 GHBDRM COc1ccc2nc([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)sc2c1 ZINC000541785096 874300878 /nfs/dbraw/zinc/30/08/78/874300878.db2.gz GMGLVEGETROGQQ-UHFFFAOYSA-N -1 0 393.446 3.631 20 5 GHBDRM Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n1 ZINC000541804153 874320228 /nfs/dbraw/zinc/32/02/28/874320228.db2.gz CIXLAVALNCJCGX-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3F)s2)c1 ZINC000550914411 882827851 /nfs/dbraw/zinc/82/78/51/882827851.db2.gz KPYPSGPWZMPSGO-UHFFFAOYSA-N -1 0 393.421 3.582 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(N(C)C)c2C)cc1[N+](=O)[O-] ZINC000776091962 875328474 /nfs/dbraw/zinc/32/84/74/875328474.db2.gz QNVFKDMIYBTAJR-UHFFFAOYSA-N -1 0 383.857 3.732 20 5 GHBDRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491719180 875917227 /nfs/dbraw/zinc/91/72/27/875917227.db2.gz IFZGYVGBNLTNPG-UHFFFAOYSA-N -1 0 386.376 3.922 20 5 GHBDRM COC(=O)c1ccc(-c2ccc(/C=C/c3ncc([N+](=O)[O-])cc3C(=O)[O-])o2)cc1 ZINC000609337026 883030890 /nfs/dbraw/zinc/03/08/90/883030890.db2.gz UNMGNBJAKMXKTM-SOFGYWHQSA-N -1 0 394.339 3.905 20 5 GHBDRM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C2CC2)o1 ZINC000237569329 877587570 /nfs/dbraw/zinc/58/75/70/877587570.db2.gz WXNYWEFSHFOLHC-GTNSWQLSSA-N -1 0 384.388 3.814 20 5 GHBDRM O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000477703327 878054871 /nfs/dbraw/zinc/05/48/71/878054871.db2.gz PDZZYPQRWPNWQZ-UHFFFAOYSA-N -1 0 378.388 3.691 20 5 GHBDRM Cc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1F ZINC000180019257 878378289 /nfs/dbraw/zinc/37/82/89/878378289.db2.gz BOWIKVDZNOLSIC-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=C([N-]C[C@@H]1CCCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000853637067 879196062 /nfs/dbraw/zinc/19/60/62/879196062.db2.gz NEZOCPJXAZOOJM-VIFPVBQESA-N -1 0 399.291 3.509 20 5 GHBDRM CC(=O)c1ccc2nc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)sc2c1 ZINC000789761658 879243675 /nfs/dbraw/zinc/24/36/75/879243675.db2.gz JSWHAAFNZWWYRP-UHFFFAOYSA-N -1 0 391.430 3.516 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1CN=c1[n-]nc(-c2cccc(OC(F)F)c2)o1 ZINC000461227152 879385799 /nfs/dbraw/zinc/38/57/99/879385799.db2.gz PTMIJXVEAXGBPP-UHFFFAOYSA-N -1 0 376.319 3.589 20 5 GHBDRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000790085143 879418771 /nfs/dbraw/zinc/41/87/71/879418771.db2.gz HUIDIOLBWDKSBT-UHFFFAOYSA-N -1 0 397.384 3.740 20 5 GHBDRM CSc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 ZINC000790384718 879656533 /nfs/dbraw/zinc/65/65/33/879656533.db2.gz QAYQNQKHIZPGCO-UHFFFAOYSA-N -1 0 397.434 3.643 20 5 GHBDRM CCc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cnn1C(CC)CC ZINC000790420708 879702404 /nfs/dbraw/zinc/70/24/04/879702404.db2.gz UNGIUEZCYLYMTC-UHFFFAOYSA-N -1 0 398.460 3.963 20 5 GHBDRM CC(C)(C)n1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cn1 ZINC000791432516 880401751 /nfs/dbraw/zinc/40/17/51/880401751.db2.gz QHAWICJMFJQORG-UHFFFAOYSA-N -1 0 393.252 3.654 20 5 GHBDRM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000856243292 881065179 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KMECATYPZRPTCQ-BHDSKKPTSA-N -1 0 393.793 3.526 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc(-c2nccs2)cc1 ZINC000327724512 884171219 /nfs/dbraw/zinc/17/12/19/884171219.db2.gz UGCRUJGBWIGCST-UHFFFAOYSA-N -1 0 379.394 3.658 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000476251451 884292214 /nfs/dbraw/zinc/29/22/14/884292214.db2.gz KZHINDDABIBDDB-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM CCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccccn1 ZINC000795823597 912874820 /nfs/dbraw/zinc/87/48/20/912874820.db2.gz LWPNZXGIBQKFLO-CYBMUJFWSA-N -1 0 387.820 3.602 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-n1cccn1 ZINC000761887506 884921905 /nfs/dbraw/zinc/92/19/05/884921905.db2.gz NMKBATUOXNLKIP-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM CC(C)(NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000263504934 885023658 /nfs/dbraw/zinc/02/36/58/885023658.db2.gz WTMYKADDDSGNBR-INIZCTEOSA-N -1 0 399.447 3.605 20 5 GHBDRM C[C@H](Cc1nnc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])o1)CC(C)(C)C ZINC000194881871 885300742 /nfs/dbraw/zinc/30/07/42/885300742.db2.gz KFRMHCIHGYCXNJ-GFCCVEGCSA-N -1 0 396.469 3.535 20 5 GHBDRM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000191572616 885396845 /nfs/dbraw/zinc/39/68/45/885396845.db2.gz LSVWMBFDRYPGHB-JTQLQIEISA-N -1 0 385.401 3.736 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C2CC2)cc1[N+](=O)[O-] ZINC000808119313 886029958 /nfs/dbraw/zinc/02/99/58/886029958.db2.gz KGGLZXCRSFGVEV-UHFFFAOYSA-N -1 0 396.444 3.573 20 5 GHBDRM O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000193436284 886168617 /nfs/dbraw/zinc/16/86/17/886168617.db2.gz USANSQLTQWTQDH-ZDUSSCGKSA-N -1 0 382.203 3.980 20 5 GHBDRM CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000863469530 887134060 /nfs/dbraw/zinc/13/40/60/887134060.db2.gz BDGRWKFTJXEWQQ-UHFFFAOYSA-N -1 0 387.392 3.924 20 5 GHBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000864226510 887644309 /nfs/dbraw/zinc/64/43/09/887644309.db2.gz ICOZUJCDHAIVJB-LBPRGKRZSA-N -1 0 386.429 3.926 20 5 GHBDRM O=C(Nc1ccc(OC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1)c1ccccc1 ZINC000794846930 888403485 /nfs/dbraw/zinc/40/34/85/888403485.db2.gz LXFJVCGPTDPYNG-UHFFFAOYSA-N -1 0 378.340 3.772 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000037385719 888518374 /nfs/dbraw/zinc/51/83/74/888518374.db2.gz RKTRQHWNCACQFZ-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM O=[N+]([O-])c1cnc2ccccc2c1Sc1n[n-]c(=NCC(F)(F)F)s1 ZINC000488070832 888619270 /nfs/dbraw/zinc/61/92/70/888619270.db2.gz PXOHCCKTMBKBIY-UHFFFAOYSA-N -1 0 387.368 3.542 20 5 GHBDRM CSc1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1Cl ZINC000747618784 888705291 /nfs/dbraw/zinc/70/52/91/888705291.db2.gz VUSHQCRQAHCQQJ-UHFFFAOYSA-N -1 0 376.818 3.910 20 5 GHBDRM O=C([N-]S(=O)(=O)/C=C\c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000916181220 888795203 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908917542 /nfs/dbraw/zinc/91/75/42/908917542.db2.gz QZDHZWDEMIFOAQ-UHFFFAOYSA-N -1 0 378.353 3.849 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)c(C(F)(F)F)c1 ZINC000194988265 908949487 /nfs/dbraw/zinc/94/94/87/908949487.db2.gz LSGRBUSOVRCVBT-UHFFFAOYSA-N -1 0 382.266 3.693 20 5 GHBDRM Cc1c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cccc1C(=O)[O-] ZINC000642148814 911803612 /nfs/dbraw/zinc/80/36/12/911803612.db2.gz UVODLBAKUHSWDO-UHFFFAOYSA-N -1 0 386.407 3.800 20 5 GHBDRM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(F)(F)F ZINC001189733969 916891669 /nfs/dbraw/zinc/89/16/69/916891669.db2.gz RUCVOICZBUKHNR-KGFZYKRKSA-N -1 0 392.758 3.643 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)cc1[N+](=O)[O-] ZINC000119274296 919615296 /nfs/dbraw/zinc/61/52/96/919615296.db2.gz PSNZYDQOXISCRC-UHFFFAOYSA-N -1 0 391.430 3.953 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000119356973 919621351 /nfs/dbraw/zinc/62/13/51/919621351.db2.gz 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Cc1nc(-c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3[O-])s2)cs1 ZINC001463795990 1064626300 /nfs/dbraw/zinc/62/63/00/1064626300.db2.gz OKKNHZFRMWFWLC-UHFFFAOYSA-N -1 0 375.431 3.724 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCN(c2ccccc2Cl)CC1 ZINC001463947505 1064734214 /nfs/dbraw/zinc/73/42/14/1064734214.db2.gz FPYSOQXXNGUVDQ-UHFFFAOYSA-N -1 0 396.230 3.570 20 5 GHBDRM CC(C)(C)c1ccc(-c2nc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC001464632196 1065123536 /nfs/dbraw/zinc/12/35/36/1065123536.db2.gz HSVBYOJKHHNQFM-UHFFFAOYSA-N -1 0 381.392 3.635 20 5 GHBDRM CCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001465260217 1065507061 /nfs/dbraw/zinc/50/70/61/1065507061.db2.gz QJJGNKTXVVHGIT-MSOLQXFVSA-N -1 0 376.453 3.890 20 5 GHBDRM CC[C@@H](Cc1ccccc1Br)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001465991398 1065948347 /nfs/dbraw/zinc/94/83/47/1065948347.db2.gz DKTFMPHAAXAVGC-ZDUSSCGKSA-N -1 0 393.237 3.814 20 5 GHBDRM O=C(NCCc1cccc(OCc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1[O-] 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ZINC000432329731 843705359 /nfs/dbraw/zinc/70/53/59/843705359.db2.gz SSZIQHISKNJMPN-UHFFFAOYSA-N -1 0 386.335 3.888 20 5 GHBDRM O=C(Nc1ccc(Cn2cnc3ccccc32)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000509840499 843962460 /nfs/dbraw/zinc/96/24/60/843962460.db2.gz RFUFHEVHNSOWPL-UHFFFAOYSA-N -1 0 388.383 3.951 20 5 GHBDRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000603971109 861475853 /nfs/dbraw/zinc/47/58/53/861475853.db2.gz QVEGLFJDDBSDEL-UHFFFAOYSA-N -1 0 380.422 3.501 20 5 GHBDRM COc1cc(-c2nc3ccc(Br)cc3n2C)cc([N+](=O)[O-])c1[O-] ZINC000436858351 844654968 /nfs/dbraw/zinc/65/49/68/844654968.db2.gz SVOSCFYBEFGTJM-UHFFFAOYSA-N -1 0 378.182 3.625 20 5 GHBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC[C@H]1C(=O)[O-] ZINC000262970427 845730111 /nfs/dbraw/zinc/73/01/11/845730111.db2.gz MQUOHZZKKQEYBL-CZUORRHYSA-N -1 0 384.388 3.570 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)sc1Cc1ccccc1 ZINC000604037654 861613616 /nfs/dbraw/zinc/61/36/16/861613616.db2.gz ASZIIEVZYNQASX-UHFFFAOYSA-N -1 0 389.458 3.751 20 5 GHBDRM Cc1ccc([C@@H](C)NC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000263200867 845979129 /nfs/dbraw/zinc/97/91/29/845979129.db2.gz HKZHYEKKDCUUOX-QAPCUYQASA-N -1 0 399.447 3.740 20 5 GHBDRM O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183584015 846347332 /nfs/dbraw/zinc/34/73/32/846347332.db2.gz JGABPJFBMVCMRK-ZDUSSCGKSA-N -1 0 381.388 3.848 20 5 GHBDRM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC001143438636 846467176 /nfs/dbraw/zinc/46/71/76/846467176.db2.gz CQNRCEQQEMIDCV-ZDUSSCGKSA-N -1 0 389.839 3.519 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]c(C(F)F)nc2c1 ZINC000135505903 846502849 /nfs/dbraw/zinc/50/28/49/846502849.db2.gz AYHQXQLBEVHILI-UHFFFAOYSA-N -1 0 382.348 3.518 20 5 GHBDRM O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000158114478 846971666 /nfs/dbraw/zinc/97/16/66/846971666.db2.gz DFCWZYHJRLDDBB-UHFFFAOYSA-N -1 0 383.335 3.666 20 5 GHBDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237075370 847027729 /nfs/dbraw/zinc/02/77/29/847027729.db2.gz XGHNNJKDQFIZNL-UHFFFAOYSA-N -1 0 397.412 3.689 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c1C ZINC000481589606 861780129 /nfs/dbraw/zinc/78/01/29/861780129.db2.gz VHBQNUZEIPALJO-UHFFFAOYSA-N -1 0 390.339 3.753 20 5 GHBDRM Cc1ccc(-n2nc(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)c3c2CCC3)cc1 ZINC000183918198 847559466 /nfs/dbraw/zinc/55/94/66/847559466.db2.gz DOWURBJQYZGDRY-UHFFFAOYSA-N -1 0 378.388 3.536 20 5 GHBDRM COCCSc1ccc([C@H](C)NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000511157409 847574763 /nfs/dbraw/zinc/57/47/63/847574763.db2.gz CJWUMPAKFCDDHY-LBPRGKRZSA-N -1 0 376.434 3.530 20 5 GHBDRM CCN(c1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1)C(C)C ZINC000731781196 861885670 /nfs/dbraw/zinc/88/56/70/861885670.db2.gz KBPOENGLSBJEKP-UHFFFAOYSA-N -1 0 381.429 3.769 20 5 GHBDRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])cc2)cs1 ZINC000121953816 848523943 /nfs/dbraw/zinc/52/39/43/848523943.db2.gz NIKFPINEQKHQKL-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1-c1cccc(Cl)c1 ZINC000612623890 848689995 /nfs/dbraw/zinc/68/99/95/848689995.db2.gz VVIGEAGVSNFVJL-UHFFFAOYSA-N -1 0 392.824 3.748 20 5 GHBDRM C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185930964 861949490 /nfs/dbraw/zinc/94/94/90/861949490.db2.gz IJCNIMCISIWBTE-APPDUMDISA-N -1 0 376.796 3.556 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N(CCC(F)(F)F)CC(F)(F)F ZINC000518774714 850078693 /nfs/dbraw/zinc/07/86/93/850078693.db2.gz CKTXHVZXJXKFNN-UHFFFAOYSA-N -1 0 394.655 3.911 20 5 GHBDRM Cc1n[nH]cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435135205 850117909 /nfs/dbraw/zinc/11/79/09/850117909.db2.gz NCMSHGHYISSROX-UHFFFAOYSA-N -1 0 396.475 3.640 20 5 GHBDRM Cc1nc(C=Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[nH]c(=O)c1CC(=O)[O-] ZINC000504721549 850270345 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OTDYRNPRWGWKGM-UHFFFAOYSA-N -1 0 398.853 3.605 20 5 GHBDRM CCCCOc1ccc([C@H](C)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1OC ZINC000505786660 851416239 /nfs/dbraw/zinc/41/62/39/851416239.db2.gz DMFWVOGCLUSOHE-ZDUSSCGKSA-N -1 0 388.420 3.979 20 5 GHBDRM O=C([O-])C[C@@H](c1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000604498354 862257475 /nfs/dbraw/zinc/25/74/75/862257475.db2.gz UOLZHGYWJOMILN-HNNXBMFYSA-N -1 0 388.445 3.767 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000028494606 851673335 /nfs/dbraw/zinc/67/33/35/851673335.db2.gz UPDSBXFHYCXYMR-UHFFFAOYSA-N -1 0 391.449 3.689 20 5 GHBDRM CN(c1ccccc1)c1ccc(CNCc2nc(C(=O)[O-])cs2)cc1[N+](=O)[O-] ZINC000426669802 852040239 /nfs/dbraw/zinc/04/02/39/852040239.db2.gz PADJFLSOEPIXMS-UHFFFAOYSA-N -1 0 398.444 3.807 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)OC1(CCCCC1)O2 ZINC000028783572 852070954 /nfs/dbraw/zinc/07/09/54/852070954.db2.gz RUYQOSXGPMGUSG-UHFFFAOYSA-N -1 0 390.417 3.827 20 5 GHBDRM Cc1ccc(-n2nc(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)c3c2CCC3)c(F)c1 ZINC000436617966 852117536 /nfs/dbraw/zinc/11/75/36/852117536.db2.gz JUQNWYGEUFNTSG-UHFFFAOYSA-N -1 0 396.378 3.675 20 5 GHBDRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000436652405 852143011 /nfs/dbraw/zinc/14/30/11/852143011.db2.gz MYISCSRHFKPDNR-UHFFFAOYSA-N -1 0 393.193 3.908 20 5 GHBDRM Cc1occc1C(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1F ZINC000436749216 852291849 /nfs/dbraw/zinc/29/18/49/852291849.db2.gz YBIPYIPCHMSQKR-UHFFFAOYSA-N -1 0 399.334 3.846 20 5 GHBDRM COc1ccc(F)cc1-c1csc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])n1 ZINC000436769783 852327864 /nfs/dbraw/zinc/32/78/64/852327864.db2.gz ITJHKCPVFUKCEW-UHFFFAOYSA-N -1 0 389.364 3.824 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000436845040 852409833 /nfs/dbraw/zinc/40/98/33/852409833.db2.gz IANISJHLFRSBBG-ZDUSSCGKSA-N -1 0 378.837 3.961 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000516343780 852447740 /nfs/dbraw/zinc/44/77/40/852447740.db2.gz VLGIXMZWAAJQHY-UHFFFAOYSA-N -1 0 396.730 3.948 20 5 GHBDRM COc1cc([C@@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1OCC(C)C ZINC000436948681 852531881 /nfs/dbraw/zinc/53/18/81/852531881.db2.gz IBGYGOURITXVFW-CYBMUJFWSA-N -1 0 388.420 3.835 20 5 GHBDRM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1NC(=O)c1ccncc1 ZINC000436968102 852539697 /nfs/dbraw/zinc/53/96/97/852539697.db2.gz SGGXJMHKXSJWBU-UHFFFAOYSA-N -1 0 392.371 3.508 20 5 GHBDRM O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436957147 852546279 /nfs/dbraw/zinc/54/62/79/852546279.db2.gz WCXDMWTZVHZSDP-UHFFFAOYSA-N -1 0 390.245 3.756 20 5 GHBDRM C[C@H]1c2cccc(Br)c2CCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507266390 852735086 /nfs/dbraw/zinc/73/50/86/852735086.db2.gz YZGLZXUGUDYJNL-JTQLQIEISA-N -1 0 391.221 3.822 20 5 GHBDRM CCCOc1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(OC(F)F)c1 ZINC000507310842 852771392 /nfs/dbraw/zinc/77/13/92/852771392.db2.gz DJKLMWNOHHMKLA-UHFFFAOYSA-N -1 0 396.346 3.621 20 5 GHBDRM CCCCCc1nnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)s1 ZINC000437180154 852838591 /nfs/dbraw/zinc/83/85/91/852838591.db2.gz MLWGGVXTNNFBSC-UHFFFAOYSA-N -1 0 384.483 3.542 20 5 GHBDRM COc1cc(F)ccc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000438797398 852857959 /nfs/dbraw/zinc/85/79/59/852857959.db2.gz ULJCNZYJKPDCGQ-UHFFFAOYSA-N -1 0 395.195 3.850 20 5 GHBDRM Cc1ccc([C@H]2OCCC[C@H]2N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000509549212 852900096 /nfs/dbraw/zinc/90/00/96/852900096.db2.gz NPLHSYWEFJAXNB-QZTJIDSGSA-N -1 0 380.404 3.707 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(-c3cccs3)c2)ccc1[O-] ZINC000509576678 852986761 /nfs/dbraw/zinc/98/67/61/852986761.db2.gz HEUOJISCRHLULK-UHFFFAOYSA-N -1 0 376.415 3.830 20 5 GHBDRM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000516787784 852999597 /nfs/dbraw/zinc/99/95/97/852999597.db2.gz HBWQQHPEKKXNBJ-MRVPVSSYSA-N -1 0 376.768 3.566 20 5 GHBDRM Cc1cc2sc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)nc2cc1F ZINC000481866060 862427595 /nfs/dbraw/zinc/42/75/95/862427595.db2.gz RLEQAOMRZUMCIY-UHFFFAOYSA-N -1 0 381.410 3.761 20 5 GHBDRM CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000129456681 853887718 /nfs/dbraw/zinc/88/77/18/853887718.db2.gz VIIPNYABVMQQNX-UHFFFAOYSA-N -1 0 381.388 3.660 20 5 GHBDRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])s2)c1 ZINC000481955091 862548069 /nfs/dbraw/zinc/54/80/69/862548069.db2.gz SQFTYKYJXDMAMG-UHFFFAOYSA-N -1 0 397.460 3.816 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000590400339 855390941 /nfs/dbraw/zinc/39/09/41/855390941.db2.gz UFVMEKVAOPIPCD-LLVKDONJSA-N -1 0 384.417 3.810 20 5 GHBDRM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000590563140 855490268 /nfs/dbraw/zinc/49/02/68/855490268.db2.gz RRWTTXNTFYFYRF-UHFFFAOYSA-N -1 0 381.392 3.521 20 5 GHBDRM O=C([O-])C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccs1 ZINC000590613776 855508666 /nfs/dbraw/zinc/50/86/66/855508666.db2.gz JVWMKKXZWXQLHU-LLVKDONJSA-N -1 0 376.415 3.817 20 5 GHBDRM Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000542720655 855552845 /nfs/dbraw/zinc/55/28/45/855552845.db2.gz COWQYQLGESBLKF-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc(F)c(F)c([O-])c1F ZINC000427598281 855696452 /nfs/dbraw/zinc/69/64/52/855696452.db2.gz CPGZSAFJWNZMHM-UHFFFAOYSA-N -1 0 394.227 3.667 20 5 GHBDRM O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000151423552 855751716 /nfs/dbraw/zinc/75/17/16/855751716.db2.gz MPWRJJSCCMEEBE-UHFFFAOYSA-N -1 0 376.781 3.725 20 5 GHBDRM O=[N+]([O-])c1ccc(OC(F)F)c([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000172198218 856368701 /nfs/dbraw/zinc/36/87/01/856368701.db2.gz OWBGGPCXAMYSBP-UHFFFAOYSA-N -1 0 395.343 3.545 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1-c1ccncc1 ZINC000427646278 856443455 /nfs/dbraw/zinc/44/34/55/856443455.db2.gz HQBKXRLYLZLYPK-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c1 ZINC000281046170 862807791 /nfs/dbraw/zinc/80/77/91/862807791.db2.gz WZRGINFCRLNHRG-SANMLTNESA-N -1 0 376.434 3.600 20 5 GHBDRM Cc1ccsc1-c1nsc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000129045553 856850788 /nfs/dbraw/zinc/85/07/88/856850788.db2.gz AIFURMLLDJTVMX-UHFFFAOYSA-N -1 0 396.475 3.592 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ncc(-c3ccccn3)s2)cc1C ZINC000508071808 856889910 /nfs/dbraw/zinc/88/99/10/856889910.db2.gz BWSHXCULFGBBHW-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)c1[N+](=O)[O-] ZINC000508093005 856900765 /nfs/dbraw/zinc/90/07/65/856900765.db2.gz GDDQEIDEVOIKMY-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000485750458 857044391 /nfs/dbraw/zinc/04/43/91/857044391.db2.gz IKROZPQDGXAIPH-GFCCVEGCSA-N -1 0 376.796 3.611 20 5 GHBDRM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])cc2O1 ZINC000442837468 858175422 /nfs/dbraw/zinc/17/54/22/858175422.db2.gz KBNFAJOAURUPLE-KRWDZBQOSA-N -1 0 378.406 3.601 20 5 GHBDRM C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000508420420 858716595 /nfs/dbraw/zinc/71/65/95/858716595.db2.gz YOLOSNZMPXTIPO-SNVBAGLBSA-N -1 0 384.310 3.733 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(OC(C)C)c(F)c1 ZINC000543165800 858720927 /nfs/dbraw/zinc/72/09/27/858720927.db2.gz IUNJVPXIYBAPET-UHFFFAOYSA-N -1 0 386.376 3.769 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc(N3C[C@@H](C(=O)[O-])CC[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000595974907 858736309 /nfs/dbraw/zinc/73/63/09/858736309.db2.gz ZOTYSLOVOLWRNQ-ZBFHGGJFSA-N -1 0 397.431 3.845 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc(N3C[C@@H](C(=O)[O-])CC[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000595974904 858736357 /nfs/dbraw/zinc/73/63/57/858736357.db2.gz ZOTYSLOVOLWRNQ-HOCLYGCPSA-N -1 0 397.431 3.845 20 5 GHBDRM O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160417891 858897560 /nfs/dbraw/zinc/89/75/60/858897560.db2.gz JJRJETQDFUGKAB-NDEPHWFRSA-N -1 0 396.424 3.861 20 5 GHBDRM COc1ccc(-c2cnc(CCC(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)o2)cc1 ZINC000483434434 859370447 /nfs/dbraw/zinc/37/04/47/859370447.db2.gz DDYMSCFWOCQKAV-UHFFFAOYSA-N -1 0 383.360 3.535 20 5 GHBDRM COCCCOc1cccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000543680155 859400215 /nfs/dbraw/zinc/40/02/15/859400215.db2.gz IHKBJXFKHCSUPX-UHFFFAOYSA-N -1 0 380.784 3.621 20 5 GHBDRM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000161678353 859594455 /nfs/dbraw/zinc/59/44/55/859594455.db2.gz PNBBUHNDUIBBEE-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1COC ZINC000611278366 859679287 /nfs/dbraw/zinc/67/92/87/859679287.db2.gz PGQKFTGTKUNRMU-UHFFFAOYSA-N -1 0 378.450 3.667 20 5 GHBDRM CC[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])Oc1cccc(C(F)(F)F)c1 ZINC000552076994 859719715 /nfs/dbraw/zinc/71/97/15/859719715.db2.gz QWVUQOCWUIXYMR-CYBMUJFWSA-N -1 0 398.337 3.907 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000013177866 859837475 /nfs/dbraw/zinc/83/74/75/859837475.db2.gz JZZQBHALMVRGLZ-ZBEGNZNMSA-N -1 0 392.408 3.547 20 5 GHBDRM CN1Cc2c(C(=O)[O-])c3ccccc3nc2/C(=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000013339414 859884047 /nfs/dbraw/zinc/88/40/47/859884047.db2.gz ZVPJUHRUMYFHOL-NTEUORMPSA-N -1 0 375.384 3.827 20 5 GHBDRM O=[N+]([O-])c1ccc2[nH]c(CSc3n[n-]c(=NC4CCCCC4)s3)nc2c1 ZINC000484480688 860043498 /nfs/dbraw/zinc/04/34/98/860043498.db2.gz QTZMWXOBOPGXCN-UHFFFAOYSA-N -1 0 390.494 3.781 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCc2cc(Br)ccc21 ZINC000185414599 860131813 /nfs/dbraw/zinc/13/18/13/860131813.db2.gz UXFJGPNVJVUMKQ-UHFFFAOYSA-N -1 0 377.194 3.656 20 5 GHBDRM Cc1cc([C@H]2CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])C2)c(O)cc1Cl ZINC000598331621 860238869 /nfs/dbraw/zinc/23/88/69/860238869.db2.gz PNIFTSSYRNEWDF-NSHDSACASA-N -1 0 376.796 3.598 20 5 GHBDRM O=C(c1cc(F)ccc1F)C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000555315901 860464561 /nfs/dbraw/zinc/46/45/61/860464561.db2.gz ZEZVHZLZUTVCAU-UHFFFAOYSA-N -1 0 376.359 3.674 20 5 GHBDRM O=C(NCCCc1ccccc1)c1ccccc1OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000729918695 860465656 /nfs/dbraw/zinc/46/56/56/860465656.db2.gz DTADYXOJPONKDA-UHFFFAOYSA-N -1 0 393.399 3.505 20 5 GHBDRM C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ncc(C(=O)[O-])s1 ZINC000598662001 860478932 /nfs/dbraw/zinc/47/89/32/860478932.db2.gz LSHWIPMJDHJWHB-SECBINFHSA-N -1 0 377.422 3.538 20 5 GHBDRM Cc1ccc(OCc2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])c2)cn1 ZINC000124939070 860535671 /nfs/dbraw/zinc/53/56/71/860535671.db2.gz ORFFWWDDTLXHOC-UHFFFAOYSA-N -1 0 379.372 3.835 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000125070558 860571625 /nfs/dbraw/zinc/57/16/25/860571625.db2.gz OJOIGRYJCAOBKO-UHFFFAOYSA-N 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CCc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cnn1C(CC)CC ZINC000480249282 864356802 /nfs/dbraw/zinc/35/68/02/864356802.db2.gz PJVRZASYFSTIHI-UHFFFAOYSA-N -1 0 386.499 3.886 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000734736455 864426045 /nfs/dbraw/zinc/42/60/45/864426045.db2.gz FRDLXOHJNFQKNE-JSGCOSHPSA-N -1 0 382.482 3.561 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C(C)C ZINC000499263188 881789761 /nfs/dbraw/zinc/78/97/61/881789761.db2.gz DWKHBDVIVTWBIB-UHFFFAOYSA-N -1 0 394.497 3.988 20 5 GHBDRM Cc1cc(C)cc(-c2nnc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000121263278 864806218 /nfs/dbraw/zinc/80/62/18/864806218.db2.gz OAOWKOJNNGHVJX-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(OC3CCCC3)nc2)cc1C ZINC000608874735 865776358 /nfs/dbraw/zinc/77/63/58/865776358.db2.gz CCBYIGHDEWKFRG-UHFFFAOYSA-N -1 0 391.449 3.729 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c3c(cccc31)CC2 ZINC000139635213 881905276 /nfs/dbraw/zinc/90/52/76/881905276.db2.gz WVWWTJMFKFVSPZ-UHFFFAOYSA-N -1 0 384.413 3.656 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2ccc(OC)cc2s1 ZINC000608926735 865830345 /nfs/dbraw/zinc/83/03/45/865830345.db2.gz QGVBHDQVBOXWCR-UHFFFAOYSA-N -1 0 393.446 3.576 20 5 GHBDRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000183131512 866242596 /nfs/dbraw/zinc/24/25/96/866242596.db2.gz FDYDMIXPKDPWHN-UHFFFAOYSA-N -1 0 387.417 3.731 20 5 GHBDRM COCCC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000478755733 866596524 /nfs/dbraw/zinc/59/65/24/866596524.db2.gz DWQXYYZWQZWSRY-UHFFFAOYSA-N -1 0 390.889 3.514 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC(Cc2cccc(F)c2F)CC1 ZINC000456812366 867170771 /nfs/dbraw/zinc/17/07/71/867170771.db2.gz QSFQIYKEYLPNNU-UHFFFAOYSA-N -1 0 376.359 3.674 20 5 GHBDRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000479138897 867197858 /nfs/dbraw/zinc/19/78/58/867197858.db2.gz YTPHFGVIFHRLIW-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cncc3ccccc32)c(C(F)(F)F)c1 ZINC000534673504 867261875 /nfs/dbraw/zinc/26/18/75/867261875.db2.gz SSNVJVJUFZFCKZ-UHFFFAOYSA-N -1 0 397.334 3.963 20 5 GHBDRM CC(C)c1nc2c([nH]1)C[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2 ZINC000476572622 882095619 /nfs/dbraw/zinc/09/56/19/882095619.db2.gz LOQGVPZEFCJKLS-VIFPVBQESA-N -1 0 378.816 3.544 20 5 GHBDRM O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000553575952 867706458 /nfs/dbraw/zinc/70/64/58/867706458.db2.gz RUBHQUFKFUEPRM-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC000743047225 867782654 /nfs/dbraw/zinc/78/26/54/867782654.db2.gz ZAGTUTYIMXQZNE-UHFFFAOYSA-N -1 0 382.612 3.751 20 5 GHBDRM CCCOc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OCCC ZINC000016095991 868185033 /nfs/dbraw/zinc/18/50/33/868185033.db2.gz JPLYUJZVSDVXJN-UHFFFAOYSA-N -1 0 394.449 3.973 20 5 GHBDRM COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000524006673 868416988 /nfs/dbraw/zinc/41/69/88/868416988.db2.gz OWMWKUUSUNRZKP-UHFFFAOYSA-N -1 0 393.446 3.631 20 5 GHBDRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000744076506 868571915 /nfs/dbraw/zinc/57/19/15/868571915.db2.gz ZCBCOSDTJMMIOF-LLVKDONJSA-N -1 0 376.862 3.660 20 5 GHBDRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000744076507 868572243 /nfs/dbraw/zinc/57/22/43/868572243.db2.gz ZCBCOSDTJMMIOF-NSHDSACASA-N -1 0 376.862 3.660 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)c1C ZINC000479983475 868859761 /nfs/dbraw/zinc/85/97/61/868859761.db2.gz GPFRIKCEIUAIAV-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)CC(C)C)c1C ZINC000524297295 868865584 /nfs/dbraw/zinc/86/55/84/868865584.db2.gz PMQILMVPBZUIGZ-ZDUSSCGKSA-N -1 0 380.470 3.816 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)c1C ZINC000479998686 868881954 /nfs/dbraw/zinc/88/19/54/868881954.db2.gz ZRQFATCIPMZSEO-CYBMUJFWSA-N -1 0 380.470 3.816 20 5 GHBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(OCc2cccnc2)cc1 ZINC000121871432 882276554 /nfs/dbraw/zinc/27/65/54/882276554.db2.gz BMFMDZSQXOVWGN-AWEZNQCLSA-N -1 0 393.399 3.765 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c2cccnc21 ZINC000462380406 869327888 /nfs/dbraw/zinc/32/78/88/869327888.db2.gz OKIRTRMMUPBCFL-UHFFFAOYSA-N -1 0 381.772 3.736 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000539567268 869367945 /nfs/dbraw/zinc/36/79/45/869367945.db2.gz FTNZFXKKGLGGHB-HNNXBMFYSA-N -1 0 397.214 3.636 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CCc2ccccc21 ZINC000462457236 869489008 /nfs/dbraw/zinc/48/90/08/869489008.db2.gz UWDCGMKAPVNNIE-ZDUSSCGKSA-N -1 0 387.244 3.867 20 5 GHBDRM COc1cc(CN=c2[n-]c(C(C)C)no2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000539707987 869635713 /nfs/dbraw/zinc/63/57/13/869635713.db2.gz VHKPMLQWVOXPPR-UHFFFAOYSA-N -1 0 398.419 3.723 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1OCC1CCOCC1 ZINC000524970564 869854762 /nfs/dbraw/zinc/85/47/62/869854762.db2.gz JOGSYEBJBKWUQU-UHFFFAOYSA-N -1 0 386.404 3.667 20 5 GHBDRM O=C([O-])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000617687337 870756444 /nfs/dbraw/zinc/75/64/44/870756444.db2.gz YFMMUEVAMMDUCE-GFCCVEGCSA-N -1 0 378.450 3.566 20 5 GHBDRM CCc1[nH]nc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1-c1cccs1 ZINC000446953890 870763256 /nfs/dbraw/zinc/76/32/56/870763256.db2.gz IDXVGAKRJZIXBV-UHFFFAOYSA-N -1 0 392.462 3.718 20 5 GHBDRM CCCc1c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC000446977544 870800664 /nfs/dbraw/zinc/80/06/64/870800664.db2.gz PBWYXCVMQNDJLO-UHFFFAOYSA-N -1 0 380.404 3.999 20 5 GHBDRM CCOC(=O)c1c(NC(=O)c2cccc([O-])c2[N+](=O)[O-])sc(C)c1CC ZINC000540530682 871505109 /nfs/dbraw/zinc/50/51/09/871505109.db2.gz VROZDHPTUREZCS-UHFFFAOYSA-N -1 0 378.406 3.662 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)nn1-c1ccc(C)cc1 ZINC000539398696 871898841 /nfs/dbraw/zinc/89/88/41/871898841.db2.gz BIQKCHGHTATMCJ-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1C(F)(F)F ZINC000447788723 872301747 /nfs/dbraw/zinc/30/17/47/872301747.db2.gz RMRDNDOQQHPWCZ-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000475713931 882611553 /nfs/dbraw/zinc/61/15/53/882611553.db2.gz KYTQXTMZRIKJBK-CQSZACIVSA-N -1 0 397.431 3.876 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)c2cccnc12 ZINC000619466546 872663019 /nfs/dbraw/zinc/66/30/19/872663019.db2.gz XELFMPALSJWROY-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ncc(-c2ccccc2)s1 ZINC000619506793 872693526 /nfs/dbraw/zinc/69/35/26/872693526.db2.gz JTGMEIRFMIPWBW-UHFFFAOYSA-N -1 0 391.430 3.528 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)cc1[N+](=O)[O-] ZINC000742230682 872844890 /nfs/dbraw/zinc/84/48/90/872844890.db2.gz LOQBHHLIBSDKJP-UHFFFAOYSA-N -1 0 394.302 3.568 20 5 GHBDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000619868354 873112681 /nfs/dbraw/zinc/11/26/81/873112681.db2.gz WNNFGGGZDKWRIU-LLVKDONJSA-N -1 0 399.432 3.513 20 5 GHBDRM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000768542007 873373758 /nfs/dbraw/zinc/37/37/58/873373758.db2.gz CKLYIMAYKFNULQ-BBRMVZONSA-N -1 0 379.457 3.568 20 5 GHBDRM Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cc12 ZINC000770855924 874890068 /nfs/dbraw/zinc/89/00/68/874890068.db2.gz IDEANRJAFOSLGC-UHFFFAOYSA-N -1 0 389.371 3.595 20 5 GHBDRM CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000770860112 874894061 /nfs/dbraw/zinc/89/40/61/874894061.db2.gz AWHCDWLZZBVXBV-DJJJIMSYSA-N -1 0 393.440 3.713 20 5 GHBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(OCc2cccnc2)cc1 ZINC000542199082 875129397 /nfs/dbraw/zinc/12/93/97/875129397.db2.gz KYEVWGOFVJWAJB-CQSZACIVSA-N -1 0 393.399 3.765 20 5 GHBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000776193754 875737031 /nfs/dbraw/zinc/73/70/31/875737031.db2.gz FLWGBXUTSNCWIT-UHFFFAOYSA-N -1 0 377.378 3.963 20 5 GHBDRM Cc1ccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1NC(=O)NC(C)(C)C ZINC000776197548 875800185 /nfs/dbraw/zinc/80/01/85/875800185.db2.gz ODGDUIVQNUXHDQ-UHFFFAOYSA-N -1 0 386.408 3.781 20 5 GHBDRM Cc1cc(C)c(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000491855984 875989895 /nfs/dbraw/zinc/98/98/95/875989895.db2.gz YXYBYUXPNRMTTO-NSHDSACASA-N -1 0 392.433 3.591 20 5 GHBDRM CC(C)c1ncsc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000451102083 877394307 /nfs/dbraw/zinc/39/43/07/877394307.db2.gz HPZHBRMVXTVYRN-UHFFFAOYSA-N -1 0 395.384 3.994 20 5 GHBDRM CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000787904307 877705348 /nfs/dbraw/zinc/70/53/48/877705348.db2.gz GXFYRUHUOWFAAO-HNNXBMFYSA-N -1 0 394.431 3.690 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)C[C@@H](c1ccccc1)C(C)C ZINC000789476372 878966152 /nfs/dbraw/zinc/96/61/52/878966152.db2.gz USQWXJWQGOGYOZ-MRXNPFEDSA-N -1 0 390.461 3.538 20 5 GHBDRM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])cc2)c1C ZINC000461211550 879355317 /nfs/dbraw/zinc/35/53/17/879355317.db2.gz HKFIDWVPNLICCT-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM Cc1ccc([C@@H](C)NC(=O)N=c2nc(-c3ccccc3)[n-]s2)cc1[N+](=O)[O-] ZINC000487720667 879548897 /nfs/dbraw/zinc/54/88/97/879548897.db2.gz NPHLJCWGNAXRBW-GFCCVEGCSA-N -1 0 383.433 3.726 20 5 GHBDRM CCc1c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC000790421321 879703963 /nfs/dbraw/zinc/70/39/63/879703963.db2.gz XUAOJKAYUAKBPX-UHFFFAOYSA-N -1 0 392.462 3.514 20 5 GHBDRM CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](C)[C@H](O)c1ccccc1 ZINC000854565730 879906435 /nfs/dbraw/zinc/90/64/35/879906435.db2.gz RWKQSWCDLAMTIP-BZNIZROVSA-N -1 0 378.812 3.538 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)cc1[N+](=O)[O-] ZINC000112663131 880064612 /nfs/dbraw/zinc/06/46/12/880064612.db2.gz FQRIOPQMSLSUNR-UHFFFAOYSA-N -1 0 387.820 3.563 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)ccc1[N+](=O)[O-] ZINC000531582639 880158463 /nfs/dbraw/zinc/15/84/63/880158463.db2.gz XQOQTPGOUCKXFH-UHFFFAOYSA-N -1 0 391.405 3.669 20 5 GHBDRM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000175119285 883287432 /nfs/dbraw/zinc/28/74/32/883287432.db2.gz AUVTTWNGSGRVKO-JTQLQIEISA-N -1 0 399.812 3.504 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC(C)(C)C ZINC000609658683 883497159 /nfs/dbraw/zinc/49/71/59/883497159.db2.gz YYDSTNNZIYUBJE-UHFFFAOYSA-N -1 0 380.422 3.582 20 5 GHBDRM CN(C)C(=O)Sc1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1Cl ZINC000805434934 883816868 /nfs/dbraw/zinc/81/68/68/883816868.db2.gz GKAHNMGYAWQADV-UHFFFAOYSA-N -1 0 395.824 3.980 20 5 GHBDRM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000498349069 884136089 /nfs/dbraw/zinc/13/60/89/884136089.db2.gz WJIYCBXRTDIRAZ-AREMUKBSSA-N -1 0 376.434 3.600 20 5 GHBDRM COc1cccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000556219402 884173164 /nfs/dbraw/zinc/17/31/64/884173164.db2.gz JIXMGKGDAWDLAS-KRWDZBQOSA-N -1 0 386.404 3.673 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1[N+](=O)[O-] ZINC000263185295 884368517 /nfs/dbraw/zinc/36/85/17/884368517.db2.gz MACSCLPTCSNTRJ-GXTWGEPZSA-N -1 0 380.466 3.668 20 5 GHBDRM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cc2)o1 ZINC000026540161 884420114 /nfs/dbraw/zinc/42/01/14/884420114.db2.gz ZZKJWSRDKLLYBK-UHFFFAOYSA-N -1 0 387.417 3.976 20 5 GHBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000263364631 884727910 /nfs/dbraw/zinc/72/79/10/884727910.db2.gz ZLCATNWCOSWKBN-FQEVSTJZSA-N -1 0 383.404 3.665 20 5 GHBDRM O=C([O-])/C=C\c1ccc(NCc2cccnc2OCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000914787504 884792252 /nfs/dbraw/zinc/79/22/52/884792252.db2.gz RJMXGDMGOKWVMR-XQRVVYSFSA-N -1 0 397.309 3.641 20 5 GHBDRM C[C@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000263440135 884869739 /nfs/dbraw/zinc/86/97/39/884869739.db2.gz WEJYKSJZVMOLSI-SECBINFHSA-N -1 0 383.198 3.522 20 5 GHBDRM CCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccccn1 ZINC000795823598 912875530 /nfs/dbraw/zinc/87/55/30/912875530.db2.gz LWPNZXGIBQKFLO-ZDUSSCGKSA-N -1 0 387.820 3.602 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(SC)c(Cl)c1 ZINC000476401228 885584355 /nfs/dbraw/zinc/58/43/55/885584355.db2.gz YXZCCBGYEOLJJE-UHFFFAOYSA-N -1 0 388.854 3.780 20 5 GHBDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1C1CC1 ZINC000762474987 886257846 /nfs/dbraw/zinc/25/78/46/886257846.db2.gz HVAFOCNOGHYOIK-LLVKDONJSA-N -1 0 396.444 3.888 20 5 GHBDRM Cc1cc(Cl)c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl ZINC000322701274 887590775 /nfs/dbraw/zinc/59/07/75/887590775.db2.gz QNWKVVVWFKMGKZ-UHFFFAOYSA-N -1 0 377.205 3.716 20 5 GHBDRM O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000272572781 887819699 /nfs/dbraw/zinc/81/96/99/887819699.db2.gz CNRDMUOKINABIH-UHFFFAOYSA-N -1 0 398.419 3.961 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1c(Cl)nc2cc(Cl)ccn21 ZINC000794698108 887881291 /nfs/dbraw/zinc/88/12/91/887881291.db2.gz MFCRFJHBYMXYSL-OWOJBTEDSA-N -1 0 379.159 3.813 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000916181182 888795211 /nfs/dbraw/zinc/79/52/11/888795211.db2.gz RTCXMAWAFUNWQQ-QXMHVHEDSA-N -1 0 388.445 3.623 20 5 GHBDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C/c1ccnc(-c2cccc([N+](=O)[O-])c2)[n+]1[O-] ZINC000794936846 888960510 /nfs/dbraw/zinc/96/05/10/888960510.db2.gz FYFIUQZVZZIKPQ-VOTSOKGWSA-N -1 0 391.383 3.776 20 5 GHBDRM CCCCC1CCC(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000916784856 890207004 /nfs/dbraw/zinc/20/70/04/890207004.db2.gz PFKKKQMXERWLPF-UHFFFAOYSA-N -1 0 382.482 3.537 20 5 GHBDRM CCC[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000916773747 890215629 /nfs/dbraw/zinc/21/56/29/890215629.db2.gz UNGUPSORCVPYOS-QGZVFWFLSA-N -1 0 390.461 3.600 20 5 GHBDRM O=C([N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000916814020 890227433 /nfs/dbraw/zinc/22/74/33/890227433.db2.gz VYCYOYTYJZOBJC-UHFFFAOYSA-N -1 0 388.445 3.761 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC000126475939 890554805 /nfs/dbraw/zinc/55/48/05/890554805.db2.gz JCBQATXUSODUNJ-UHFFFAOYSA-N -1 0 387.417 3.921 20 5 GHBDRM O=C([O-])/C=C/c1ccc(NCc2ccc(OCC(F)(F)F)nc2)c([N+](=O)[O-])c1 ZINC000917065317 890932918 /nfs/dbraw/zinc/93/29/18/890932918.db2.gz VEOOQDDECJPIOS-ZZXKWVIFSA-N -1 0 397.309 3.641 20 5 GHBDRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000814021286 892168118 /nfs/dbraw/zinc/16/81/18/892168118.db2.gz OXYYZEVWLMIXFA-MRXNPFEDSA-N -1 0 394.474 3.528 20 5 GHBDRM O=C(Nc1cccc(C(=O)OCc2ccccc2)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000796209621 913651187 /nfs/dbraw/zinc/65/11/87/913651187.db2.gz GCULDGCWEVQCAX-UHFFFAOYSA-N -1 0 392.367 3.910 20 5 GHBDRM O=C(OCc1c(Cl)nc(Cl)n1-c1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000917952392 892859210 /nfs/dbraw/zinc/85/92/10/892859210.db2.gz PFXHYKGVKKXAFK-UHFFFAOYSA-N -1 0 381.175 3.772 20 5 GHBDRM O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1cccc([O-])c1[N+](=O)[O-] ZINC000563197204 893471383 /nfs/dbraw/zinc/47/13/83/893471383.db2.gz CGYIECDGICEKKH-QWHCGFSZSA-N -1 0 380.404 3.633 20 5 GHBDRM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000536701647 893574232 /nfs/dbraw/zinc/57/42/32/893574232.db2.gz PKIXVCKJJXOWJH-UHFFFAOYSA-N -1 0 394.449 3.638 20 5 GHBDRM Cc1oc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1C(=O)[O-] ZINC000262747749 893790088 /nfs/dbraw/zinc/79/00/88/893790088.db2.gz IDOCYOQYIZZLGS-UHFFFAOYSA-N -1 0 392.433 3.967 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)NCC2(C(=O)[O-])CCC2)cc1[N+](=O)[O-] ZINC000537369221 894842230 /nfs/dbraw/zinc/84/22/30/894842230.db2.gz RPEKMJNUAZATMC-UHFFFAOYSA-N -1 0 380.466 3.718 20 5 GHBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(C(F)(F)F)nc1Cl ZINC000816762302 895054033 /nfs/dbraw/zinc/05/40/33/895054033.db2.gz WDOFIAOZGFXCNP-SSDOTTSWSA-N -1 0 389.717 3.859 20 5 GHBDRM O=C([O-])c1cc(NC[C@@H](CO)Cc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000565038040 895363663 /nfs/dbraw/zinc/36/36/63/895363663.db2.gz KUCRQAAYAKGLDC-NSHDSACASA-N -1 0 398.337 3.575 20 5 GHBDRM O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000565553881 895717719 /nfs/dbraw/zinc/71/77/19/895717719.db2.gz RXXQOSHIKKLBRM-LLVKDONJSA-N -1 0 396.230 3.616 20 5 GHBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)nc1Cl ZINC000817879440 895946548 /nfs/dbraw/zinc/94/65/48/895946548.db2.gz JXCWEVACILAUQL-SSDOTTSWSA-N -1 0 389.717 3.859 20 5 GHBDRM Cc1cc(N2CCN(Cc3ccc(Cl)cc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566294302 896222091 /nfs/dbraw/zinc/22/20/91/896222091.db2.gz XGOGRNPAIWCVEA-UHFFFAOYSA-N -1 0 389.839 3.577 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCN(c2ccccc2F)C1 ZINC000568377790 897794452 /nfs/dbraw/zinc/79/44/52/897794452.db2.gz VTLMSRTXYVRUKM-SNVBAGLBSA-N -1 0 379.775 3.558 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000569325566 898547966 /nfs/dbraw/zinc/54/79/66/898547966.db2.gz QOBYYMXQWOHVMH-UHFFFAOYSA-N -1 0 395.184 3.872 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000569404990 898625048 /nfs/dbraw/zinc/62/50/48/898625048.db2.gz MZJRNLPQBBSMSX-JTQLQIEISA-N -1 0 393.170 3.521 20 5 GHBDRM CCC(=O)c1ccc(N2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)c([N+](=O)[O-])c1 ZINC000844219858 900585741 /nfs/dbraw/zinc/58/57/41/900585741.db2.gz WINQEHQYARNCFR-ZDUSSCGKSA-N -1 0 389.433 3.992 20 5 GHBDRM Cc1ccc(C(=O)C2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC000844208033 900600686 /nfs/dbraw/zinc/60/06/86/900600686.db2.gz QUYWJSCXNMITPT-UHFFFAOYSA-N -1 0 382.416 3.630 20 5 GHBDRM O=C([O-])/C=C\c1ccc(NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000844215164 900609806 /nfs/dbraw/zinc/60/98/06/900609806.db2.gz ZQZNJXHUWSXFNI-AFKMGRNLSA-N -1 0 388.342 3.588 20 5 GHBDRM COc1ccc(-c2nnc([N-]C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])s2)cc1 ZINC000136308978 900628995 /nfs/dbraw/zinc/62/89/95/900628995.db2.gz NLEZKYJDZUPXLY-UHFFFAOYSA-N -1 0 392.343 3.652 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cc(-c2cccc(F)c2)on1 ZINC000576784631 902260944 /nfs/dbraw/zinc/26/09/44/902260944.db2.gz QEBSZABJWGRVSD-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM CC(C)c1ccc(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)cc1[N+](=O)[O-] ZINC000600869912 903028691 /nfs/dbraw/zinc/02/86/91/903028691.db2.gz NBPRUGCIHBUPBP-NSHDSACASA-N -1 0 390.367 3.962 20 5 GHBDRM CCOc1cccc(N2CCC(c3nc(C(=O)[O-])cs3)CC2)c1[N+](=O)[O-] ZINC000578016297 903446359 /nfs/dbraw/zinc/44/63/59/903446359.db2.gz SIVOWRUKGACATI-UHFFFAOYSA-N -1 0 377.422 3.532 20 5 GHBDRM Cc1ccc(Br)cc1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001147588592 903829453 /nfs/dbraw/zinc/82/94/53/903829453.db2.gz NVSKJDPWORVKHW-UHFFFAOYSA-N -1 0 399.628 3.955 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC000578750485 904100350 /nfs/dbraw/zinc/10/03/50/904100350.db2.gz NXQKVKQCVWLVDA-UHFFFAOYSA-N -1 0 396.375 3.826 20 5 GHBDRM Cc1ccc([C@@H](C)NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000579310195 904503340 /nfs/dbraw/zinc/50/33/40/904503340.db2.gz ZRWYKLHOOBPMNH-JLSDUUJJSA-N -1 0 397.431 3.964 20 5 GHBDRM O=C([O-])c1ccc(Nc2noc3cc(Br)ccc32)cc1[N+](=O)[O-] 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C[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC001592730613 979250795 /nfs/dbraw/zinc/25/07/95/979250795.db2.gz XXLBFTHQZWDCPS-SECBINFHSA-N -1 0 380.198 3.666 20 5 GHBDRM C[C@@H](NC(=O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC001593037027 980316755 /nfs/dbraw/zinc/31/67/55/980316755.db2.gz VHLGOUAQAHRRCE-CYBMUJFWSA-N -1 0 394.383 3.702 20 5 GHBDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001595361914 980766475 /nfs/dbraw/zinc/76/64/75/980766475.db2.gz RIYZHFGUVJWYAU-INIZCTEOSA-N -1 0 376.796 3.926 20 5 GHBDRM CCCC[C@H](SCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC001595654504 982040805 /nfs/dbraw/zinc/04/08/05/982040805.db2.gz CULMQLORQDEKFD-LBPRGKRZSA-N -1 0 394.371 3.929 20 5 GHBDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC001594570349 986390661 /nfs/dbraw/zinc/39/06/61/986390661.db2.gz UOVCIRWHLWZTLS-GFCCVEGCSA-N -1 0 375.812 3.662 20 5 GHBDRM CCOc1ccc(NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)c(C(=O)[O-])c1F 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O=[N+]([O-])c1cnc(O[C@@H]2CCc3cc(Br)ccc32)c2[nH]cnc21 ZINC001227692803 1032518334 /nfs/dbraw/zinc/51/83/34/1032518334.db2.gz DOOCFNPAQWOBLG-GFCCVEGCSA-N -1 0 375.182 3.695 20 5 GHBDRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000749016892 1021739102 /nfs/dbraw/zinc/73/91/02/1021739102.db2.gz LAJXIMJWKWQDSB-UHFFFAOYSA-N -1 0 386.861 3.744 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1C(F)(F)F ZINC000725829013 1022386177 /nfs/dbraw/zinc/38/61/77/1022386177.db2.gz YDLUDEVQDBOSLW-UHFFFAOYSA-N -1 0 394.758 3.746 20 5 GHBDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H](C)c2cc(-c3ccccc3)no2)cc1[O-] ZINC001228816048 1033115964 /nfs/dbraw/zinc/11/59/64/1033115964.db2.gz ZZIABIINAWCQDZ-NSHDSACASA-N -1 0 384.344 3.882 20 5 GHBDRM COc1ccc(OC[C@@H](C)Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])cc1 ZINC001228858128 1033140929 /nfs/dbraw/zinc/14/09/29/1033140929.db2.gz DABLOILCULLKEW-SECBINFHSA-N -1 0 388.298 3.569 20 5 GHBDRM 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/nfs/dbraw/zinc/46/79/49/852467949.db2.gz RBVJQFZBWDAWIX-UHFFFAOYSA-N -1 0 379.210 3.644 20 5 GHBDRM O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(Br)cc(Cl)c1[O-] ZINC000436913689 852491509 /nfs/dbraw/zinc/49/15/09/852491509.db2.gz WLRZJVYOMNMBDR-UHFFFAOYSA-N -1 0 385.601 3.646 20 5 GHBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1cccc(OCc2ccccn2)c1 ZINC000436963746 852535329 /nfs/dbraw/zinc/53/53/29/852535329.db2.gz GWYKHZLJEPZOGO-AWEZNQCLSA-N -1 0 393.399 3.765 20 5 GHBDRM C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436972351 852553890 /nfs/dbraw/zinc/55/38/90/852553890.db2.gz NYQPJUXZRJTWQK-SECBINFHSA-N -1 0 397.200 3.563 20 5 GHBDRM O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436996598 852590470 /nfs/dbraw/zinc/59/04/70/852590470.db2.gz UHRPGLPICOCLDV-LBPRGKRZSA-N -1 0 396.230 3.616 20 5 GHBDRM O=C(Nc1cccc(CSC2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000437005972 852602062 /nfs/dbraw/zinc/60/20/62/852602062.db2.gz XDFGCGGFTZSOOD-UHFFFAOYSA-N -1 0 388.445 3.965 20 5 GHBDRM CC[C@@](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507310153 852769522 /nfs/dbraw/zinc/76/95/22/852769522.db2.gz SMNQZBFSUFQECU-SFHVURJKSA-N -1 0 376.796 3.677 20 5 GHBDRM COc1cc(/C=C/c2ccc3ccccc3n2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000518075182 852809234 /nfs/dbraw/zinc/80/92/34/852809234.db2.gz QKZMJMJTKLVJRL-VQHVLOKHSA-N -1 0 380.356 3.785 20 5 GHBDRM CCC(CC)c1nnc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 ZINC000437183919 852843166 /nfs/dbraw/zinc/84/31/66/852843166.db2.gz ZQOJEPWWBNRGMA-UHFFFAOYSA-N -1 0 384.483 3.768 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(CCc2ccccc2)ccn1 ZINC000426211651 853021120 /nfs/dbraw/zinc/02/11/20/853021120.db2.gz URIGBMCIKGBFPG-UHFFFAOYSA-N -1 0 397.456 3.884 20 5 GHBDRM CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c2ccccc21 ZINC000593858927 862425242 /nfs/dbraw/zinc/42/52/42/862425242.db2.gz DAEDKDCXTUSQLA-RDJZCZTQSA-N -1 0 398.415 3.601 20 5 GHBDRM O=C([O-])c1csc(C2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000517239276 853548140 /nfs/dbraw/zinc/54/81/40/853548140.db2.gz NWZCFDHROCOVTE-UHFFFAOYSA-N -1 0 384.417 3.682 20 5 GHBDRM CCCCOc1cccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000518661772 853622915 /nfs/dbraw/zinc/62/29/15/853622915.db2.gz VVYILRPYXFNXNP-UHFFFAOYSA-N -1 0 398.868 3.906 20 5 GHBDRM COc1cc(/C=C/c2nc3ccccc3s2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000517400870 853726539 /nfs/dbraw/zinc/72/65/39/853726539.db2.gz CXNZFJDPBHHNDD-VOTSOKGWSA-N -1 0 386.385 3.847 20 5 GHBDRM Nc1c(Cl)cc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Cl ZINC000131245305 862599936 /nfs/dbraw/zinc/59/99/36/862599936.db2.gz FSUFNOWLIKAQCH-UHFFFAOYSA-N -1 0 396.639 3.938 20 5 GHBDRM O=[N+]([O-])c1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000055589895 854754536 /nfs/dbraw/zinc/75/45/36/854754536.db2.gz ASCGJZZATKNQCQ-UHFFFAOYSA-N -1 0 396.730 3.790 20 5 GHBDRM Cc1ccc(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(OC[C@H]2CCCO2)c1 ZINC000572725152 854951183 /nfs/dbraw/zinc/95/11/83/854951183.db2.gz ABMOAHOAIPDHOV-MRXNPFEDSA-N -1 0 386.404 3.771 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(-c2ccccc2)ncn1C1CC1 ZINC000589596327 855077287 /nfs/dbraw/zinc/07/72/87/855077287.db2.gz KFSAVEQDOZGJGT-UHFFFAOYSA-N -1 0 398.444 3.902 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000166092232 855407658 /nfs/dbraw/zinc/40/76/58/855407658.db2.gz WAMWBMGPZKWJLK-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM O=C(Cc1c[nH]c2cc(Br)ccc12)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166180166 855491831 /nfs/dbraw/zinc/49/18/31/855491831.db2.gz FYUJKBNIWAGXLT-UHFFFAOYSA-N -1 0 390.193 3.725 20 5 GHBDRM COc1ccc(NC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000591353324 855949183 /nfs/dbraw/zinc/94/91/83/855949183.db2.gz UFBUOEGLXHDKQK-UHFFFAOYSA-N -1 0 399.403 3.713 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000172183272 856364427 /nfs/dbraw/zinc/36/44/27/856364427.db2.gz HLUNBEXWEQIISW-UHFFFAOYSA-N -1 0 389.355 3.678 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(F)c(C(F)(F)F)c1 ZINC000520769071 856406744 /nfs/dbraw/zinc/40/67/44/856406744.db2.gz ZNDNEBIDMNTWOO-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1csc(-c2ccccn2)n1 ZINC000508129851 856967107 /nfs/dbraw/zinc/96/71/07/856967107.db2.gz WPTSBCSDQIZWBI-UHFFFAOYSA-N -1 0 396.837 3.568 20 5 GHBDRM O=C([O-])c1ccnc(N2CCC([C@H](F)c3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000592979548 857146805 /nfs/dbraw/zinc/14/68/05/857146805.db2.gz KFEZXNRNERBBGS-HNNXBMFYSA-N -1 0 377.347 3.754 20 5 GHBDRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000485864263 857165063 /nfs/dbraw/zinc/16/50/63/857165063.db2.gz PHCOQZZGNURLCZ-JTQLQIEISA-N -1 0 378.768 3.634 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1C(C)C ZINC000442222333 857636688 /nfs/dbraw/zinc/63/66/88/857636688.db2.gz JWURCILJMFTPHG-UHFFFAOYSA-N -1 0 380.422 3.536 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1ccccc1OCc1ccccn1 ZINC000255314866 857693438 /nfs/dbraw/zinc/69/34/38/857693438.db2.gz QMESOLDSGKTARO-HJWRWDBZSA-N -1 0 377.356 3.832 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)c1 ZINC000442311340 857713690 /nfs/dbraw/zinc/71/36/90/857713690.db2.gz VSIXNZGABSMDQX-UHFFFAOYSA-N -1 0 380.397 3.856 20 5 GHBDRM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000521279253 857808080 /nfs/dbraw/zinc/80/80/80/857808080.db2.gz YZQGFBFILSAGEA-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)c([N+](=O)[O-])c1 ZINC000486514114 857812243 /nfs/dbraw/zinc/81/22/43/857812243.db2.gz CXZKIEOITRLEJT-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])sc1C ZINC000574724916 858150554 /nfs/dbraw/zinc/15/05/54/858150554.db2.gz KUTHMZYGAPJCKZ-UHFFFAOYSA-N -1 0 389.886 3.535 20 5 GHBDRM CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)C(=O)[O-] ZINC000594460919 858198128 /nfs/dbraw/zinc/19/81/28/858198128.db2.gz VKHYAMROZGSUEP-HNNXBMFYSA-N -1 0 380.466 3.716 20 5 GHBDRM O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592786635 858235159 /nfs/dbraw/zinc/23/51/59/858235159.db2.gz CJFNSNKCTAXVQB-BBRMVZONSA-N -1 0 394.786 3.743 20 5 GHBDRM CC1(C)CO[C@H](c2cccc(F)c2)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000594734340 858268100 /nfs/dbraw/zinc/26/81/00/858268100.db2.gz XIBKDKIAZXWNJX-SFHVURJKSA-N -1 0 388.395 3.784 20 5 GHBDRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H]2CCCC[C@@H]12 ZINC000595246071 858451732 /nfs/dbraw/zinc/45/17/32/858451732.db2.gz VCYKOHDLXATONH-ZNMIVQPWSA-N -1 0 388.445 3.915 20 5 GHBDRM Cc1cc(N2CCC(OCc3ccccc3F)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592976682 858465909 /nfs/dbraw/zinc/46/59/09/858465909.db2.gz GPJYQQJFLSOKSS-UHFFFAOYSA-N -1 0 388.395 3.926 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)c1C ZINC000543163028 858691440 /nfs/dbraw/zinc/69/14/40/858691440.db2.gz WLGYLUGQBZKAKB-GFCCVEGCSA-N -1 0 392.433 3.591 20 5 GHBDRM CCc1c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000482730638 858797466 /nfs/dbraw/zinc/79/74/66/858797466.db2.gz CWKZACDNNUWWMZ-UHFFFAOYSA-N -1 0 386.795 3.954 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)c1 ZINC000543643048 859177160 /nfs/dbraw/zinc/17/71/60/859177160.db2.gz YZWURUNJLROYFY-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000483441393 859377309 /nfs/dbraw/zinc/37/73/09/859377309.db2.gz OKRNCAAWPBNYNP-PJODQICGSA-N -1 0 398.415 3.765 20 5 GHBDRM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])c2)n1 ZINC000161064606 859534711 /nfs/dbraw/zinc/53/47/11/859534711.db2.gz CTGIUTSCOALLDP-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1)c1cccs1 ZINC000160261462 859557991 /nfs/dbraw/zinc/55/79/91/859557991.db2.gz HPCLSAXXMLHSLG-UHFFFAOYSA-N -1 0 383.385 3.867 20 5 GHBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1Cl ZINC000751266325 859853898 /nfs/dbraw/zinc/85/38/98/859853898.db2.gz AKOUIZLJAGBGOH-UHFFFAOYSA-N -1 0 392.176 3.611 20 5 GHBDRM CSc1ccc(-c2nsc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])n2)cc1 ZINC000499860220 860024491 /nfs/dbraw/zinc/02/44/91/860024491.db2.gz IBOSKQZHFOBQFP-UHFFFAOYSA-N -1 0 388.430 3.793 20 5 GHBDRM O=C(Nc1cc(F)cc(Cl)c1[O-])C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000474440729 860102325 /nfs/dbraw/zinc/10/23/25/860102325.db2.gz ZRCMRZCINRNEME-UHFFFAOYSA-N -1 0 393.802 3.948 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000123839282 860107773 /nfs/dbraw/zinc/10/77/73/860107773.db2.gz KMHSKRIYAPXPOH-UHFFFAOYSA-N -1 0 376.312 3.603 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-n2cccc2)c1 ZINC000727720198 860201304 /nfs/dbraw/zinc/20/13/04/860201304.db2.gz IFIPICQBMXQENR-UHFFFAOYSA-N -1 0 377.809 3.840 20 5 GHBDRM Cc1cc([C@@H]2CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])C2)c(O)cc1Cl ZINC000598331619 860238911 /nfs/dbraw/zinc/23/89/11/860238911.db2.gz PNIFTSSYRNEWDF-LLVKDONJSA-N -1 0 376.796 3.598 20 5 GHBDRM COc1cc(-c2nc3cccnc3n2Cc2ccccc2)c([N+](=O)[O-])cc1O ZINC000155205195 860438833 /nfs/dbraw/zinc/43/88/33/860438833.db2.gz AILROEZKVXKHOE-UHFFFAOYSA-N -1 0 376.372 3.769 20 5 GHBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1c(O)cnc2ccc(Cl)cc21 ZINC000555358448 860503910 /nfs/dbraw/zinc/50/39/10/860503910.db2.gz ULPKMOSFPPXFPR-UHFFFAOYSA-N -1 0 385.807 3.817 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)sc1C(F)(F)F ZINC000598735605 860535761 /nfs/dbraw/zinc/53/57/61/860535761.db2.gz XFIBOQMFFIQWSF-UHFFFAOYSA-N -1 0 395.384 3.796 20 5 GHBDRM CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1nc(C(F)(F)F)cs1 ZINC000155709979 860580624 /nfs/dbraw/zinc/58/06/24/860580624.db2.gz ZZNZKEUOQZGGCY-QMMMGPOBSA-N -1 0 375.328 3.657 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)c2ncccc12 ZINC000185616500 860794553 /nfs/dbraw/zinc/79/45/53/860794553.db2.gz FKMFDULCEZPDSA-UHFFFAOYSA-N -1 0 398.444 3.544 20 5 GHBDRM Cc1ccc(N2C(=O)C(=Cc3ccc([O-])c([N+](=O)[O-])c3)NC2=S)cc1Cl ZINC000007336005 860828858 /nfs/dbraw/zinc/82/88/58/860828858.db2.gz ZVXZQFUANPZFJN-AWNIVKPZSA-N -1 0 389.820 3.524 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ncc(Cc2ccccc2)s1 ZINC000603631050 860937032 /nfs/dbraw/zinc/93/70/32/860937032.db2.gz SEAOCYLIQFXNJS-UHFFFAOYSA-N -1 0 389.458 3.751 20 5 GHBDRM C[C@@H]1CO[C@H](c2ccccc2Cl)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593737803 861114469 /nfs/dbraw/zinc/11/44/69/861114469.db2.gz VJWXHVMAJXHMBP-XIKOKIGWSA-N -1 0 390.823 3.908 20 5 GHBDRM Cc1ccc(C(=O)C2CCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)cc1 ZINC000593740371 861151333 /nfs/dbraw/zinc/15/13/33/861151333.db2.gz LJYXLUYJSHJHIN-UHFFFAOYSA-N -1 0 382.416 3.696 20 5 GHBDRM CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160053258 863278395 /nfs/dbraw/zinc/27/83/95/863278395.db2.gz MTYJCJNBZYAWRN-UHFFFAOYSA-N -1 0 398.394 3.534 20 5 GHBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000593924377 863380511 /nfs/dbraw/zinc/38/05/11/863380511.db2.gz ZFZJXVVMONTXPB-ZBFHGGJFSA-N -1 0 386.429 3.750 20 5 GHBDRM CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160198654 863406035 /nfs/dbraw/zinc/40/60/35/863406035.db2.gz ARHUDYNIBVYANK-UHFFFAOYSA-N -1 0 381.388 3.660 20 5 GHBDRM CC(C)[C@@H](CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000593955546 863451096 /nfs/dbraw/zinc/45/10/96/863451096.db2.gz AHAOMIFKSXSPDP-QGZVFWFLSA-N -1 0 387.392 3.865 20 5 GHBDRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000734079806 863983043 /nfs/dbraw/zinc/98/30/43/863983043.db2.gz JHEDDBOPRBYVBA-OAHLLOKOSA-N -1 0 382.482 3.623 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)c1[N+](=O)[O-] ZINC000480231968 864315429 /nfs/dbraw/zinc/31/54/29/864315429.db2.gz WUPWBTNCDJEQRP-UHFFFAOYSA-N -1 0 378.450 3.937 20 5 GHBDRM Cn1nc(-c2ccccc2)c(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1Cl ZINC000734753303 864421027 /nfs/dbraw/zinc/42/10/27/864421027.db2.gz RKCBBOQHIXSOCD-BQYQJAHWSA-N -1 0 384.779 3.912 20 5 GHBDRM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])ccc1Cl ZINC000063443716 864762898 /nfs/dbraw/zinc/76/28/98/864762898.db2.gz WDBDWACEOJWREA-UHFFFAOYSA-N -1 0 397.840 3.624 20 5 GHBDRM CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000735398083 864770652 /nfs/dbraw/zinc/77/06/52/864770652.db2.gz GXWZBQFFGFJTCJ-NSHDSACASA-N -1 0 376.862 3.660 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c2n[nH]cc21 ZINC000063635427 865075711 /nfs/dbraw/zinc/07/57/11/865075711.db2.gz VHSXZVSYEWMWDF-UHFFFAOYSA-N -1 0 380.813 3.542 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(C)C)ccc1[N+](=O)[O-] ZINC000499269361 881839247 /nfs/dbraw/zinc/83/92/47/881839247.db2.gz CIUQNASNBHTYNM-UHFFFAOYSA-N -1 0 380.470 3.680 20 5 GHBDRM CCOc1cc(CN(C)C(=O)c2cc([O-])ccc2[N+](=O)[O-])ccc1OC(F)F ZINC000480881487 865456988 /nfs/dbraw/zinc/45/69/88/865456988.db2.gz GRNPBHXDLOVPOR-UHFFFAOYSA-N -1 0 396.346 3.573 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2cc(C)c(C)c3ncccc23)ccc1[N+](=O)[O-] ZINC000121382537 866210636 /nfs/dbraw/zinc/21/06/36/866210636.db2.gz WLXZYEOGNYAFEX-UHFFFAOYSA-N -1 0 387.417 3.569 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@H](CC(C)C)c1ccccc1 ZINC000741112198 866231677 /nfs/dbraw/zinc/23/16/77/866231677.db2.gz RWDYYFFNZFYWGT-QGZVFWFLSA-N -1 0 390.461 3.538 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ncccc12 ZINC000546020443 866434563 /nfs/dbraw/zinc/43/45/63/866434563.db2.gz XPQRBXSHKSQLPS-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM COc1ccnc2c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cccc12 ZINC000534317796 866550741 /nfs/dbraw/zinc/55/07/41/866550741.db2.gz BMBKEEFYMUOHFV-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1nc(-c2cccs2)cs1 ZINC000183379087 866656439 /nfs/dbraw/zinc/65/64/39/866656439.db2.gz GWZOJDNOUYUJNE-UHFFFAOYSA-N -1 0 381.460 3.722 20 5 GHBDRM O=[N+]([O-])c1ccc(OC(F)F)c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000534401202 866718737 /nfs/dbraw/zinc/71/87/37/866718737.db2.gz LBHNAZKJMGLXSM-UHFFFAOYSA-N -1 0 396.730 3.790 20 5 GHBDRM O=C(NCCOc1ccccc1-c1ccccc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000553597915 867717778 /nfs/dbraw/zinc/71/77/78/867717778.db2.gz LHFQZTLCJMGJBH-UHFFFAOYSA-N -1 0 378.384 3.776 20 5 GHBDRM COc1ccc(COCCCc2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)cc1 ZINC000445231957 867980378 /nfs/dbraw/zinc/98/03/78/867980378.db2.gz GVCNBQHHIWCSMD-UHFFFAOYSA-N -1 0 385.376 3.508 20 5 GHBDRM CCCCCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000744010054 868543950 /nfs/dbraw/zinc/54/39/50/868543950.db2.gz YMFDVJWXXRXCQC-GOSISDBHSA-N -1 0 384.498 3.928 20 5 GHBDRM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(Sc3ccccc3)ns2)c1 ZINC000524132340 868612009 /nfs/dbraw/zinc/61/20/09/868612009.db2.gz MVUFANWJFJQFMX-UHFFFAOYSA-N -1 0 388.430 3.858 20 5 GHBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000539516797 869265339 /nfs/dbraw/zinc/26/53/39/869265339.db2.gz OOQLKOIYKSIIEP-IBGZPJMESA-N -1 0 378.425 3.993 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CCc2ccccc21 ZINC000462457235 869489092 /nfs/dbraw/zinc/48/90/92/869489092.db2.gz UWDCGMKAPVNNIE-CYBMUJFWSA-N -1 0 387.244 3.867 20 5 GHBDRM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462479514 869539051 /nfs/dbraw/zinc/53/90/51/869539051.db2.gz HMCLZDDNJQQTDB-SECBINFHSA-N -1 0 393.248 3.794 20 5 GHBDRM O=C([O-])CCCOc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000263119525 882384022 /nfs/dbraw/zinc/38/40/22/882384022.db2.gz CVYGAFWPPVRVMU-UHFFFAOYSA-N -1 0 399.403 3.665 20 5 GHBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000617742416 870822845 /nfs/dbraw/zinc/82/28/45/870822845.db2.gz MTDZKOAXMKSWQW-LBPRGKRZSA-N -1 0 380.466 3.670 20 5 GHBDRM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463175250 871041132 /nfs/dbraw/zinc/04/11/32/871041132.db2.gz HOAQYWDVHFBVJK-UHFFFAOYSA-N -1 0 386.233 3.736 20 5 GHBDRM Cc1c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cnn1Cc1ccccc1 ZINC000181538042 871142670 /nfs/dbraw/zinc/14/26/70/871142670.db2.gz OMVCCYCSRPCUQG-UHFFFAOYSA-N -1 0 386.795 3.759 20 5 GHBDRM COc1cc(CNc2nnc(Cc3ccc(Cl)cc3)o2)cc([N+](=O)[O-])c1[O-] ZINC000181720688 871409685 /nfs/dbraw/zinc/40/96/85/871409685.db2.gz IMPYYXMBXQLWEI-UHFFFAOYSA-N -1 0 390.783 3.548 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2)cs1 ZINC000768856646 873596016 /nfs/dbraw/zinc/59/60/16/873596016.db2.gz CJXMRHPDVLSHEQ-UHFFFAOYSA-N -1 0 381.479 3.838 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000541586726 873931209 /nfs/dbraw/zinc/93/12/09/873931209.db2.gz SJEFOZFVXZSVCY-STQMWFEESA-N -1 0 377.194 3.805 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)c1C ZINC000769631436 874176793 /nfs/dbraw/zinc/17/67/93/874176793.db2.gz SHVDTTNNRVPBQI-UHFFFAOYSA-N -1 0 399.812 3.882 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000769673521 874227042 /nfs/dbraw/zinc/22/70/42/874227042.db2.gz ZIBSVZCMFUMISW-UHFFFAOYSA-N -1 0 392.433 3.726 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)c1 ZINC000769889135 874353578 /nfs/dbraw/zinc/35/35/78/874353578.db2.gz NXNYJAVRFCIJQF-UHFFFAOYSA-N -1 0 395.195 3.856 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2nc3c(ccc(F)c3C)s2)c([N+](=O)[O-])c1 ZINC000464912938 874768932 /nfs/dbraw/zinc/76/89/32/874768932.db2.gz XVJZYSCBQFERRK-UHFFFAOYSA-N -1 0 381.410 3.761 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000550941446 882862390 /nfs/dbraw/zinc/86/23/90/882862390.db2.gz NHXMHRSHLBIFOT-NWDGAFQWSA-N -1 0 382.294 3.941 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000770722602 874833086 /nfs/dbraw/zinc/83/30/86/874833086.db2.gz JKIKQWQHYRTFDX-UHFFFAOYSA-N -1 0 375.340 3.547 20 5 GHBDRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000542234948 875194315 /nfs/dbraw/zinc/19/43/15/875194315.db2.gz WXTDPMCAIUGSPB-UHFFFAOYSA-N -1 0 392.481 3.589 20 5 GHBDRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000771511540 875305927 /nfs/dbraw/zinc/30/59/27/875305927.db2.gz MNXRYFCRUSPVND-UHFFFAOYSA-N -1 0 379.775 3.945 20 5 GHBDRM Cc1nc2ccc(Cl)cn2c1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000785550470 876104597 /nfs/dbraw/zinc/10/45/97/876104597.db2.gz DDCLHXRRDWMZLB-UHFFFAOYSA-N -1 0 394.840 3.622 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2scnc2C(C)C)cc1[N+](=O)[O-] ZINC000451101849 877395413 /nfs/dbraw/zinc/39/54/13/877395413.db2.gz GQDWKCXOVOVMBY-UHFFFAOYSA-N -1 0 375.859 3.937 20 5 GHBDRM O=C([O-])CCOc1cccc(/C=C2\C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc32)c1 ZINC000746684576 877415692 /nfs/dbraw/zinc/41/56/92/877415692.db2.gz SGIIGQUXZMMHCH-QPEQYQDCSA-N -1 0 388.763 3.594 20 5 GHBDRM Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1NC(=O)NC(C)(C)C ZINC000537767921 878268354 /nfs/dbraw/zinc/26/83/54/878268354.db2.gz HLAZRDDROXACIU-UHFFFAOYSA-N -1 0 386.408 3.781 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cnn(Cc2ccccc2)c1Cl ZINC000789130110 878616590 /nfs/dbraw/zinc/61/65/90/878616590.db2.gz LAPMUHSDEZAULF-SREVYHEPSA-N -1 0 384.779 3.757 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(-c2ccccc2)[nH]c1=O ZINC000180780669 879314707 /nfs/dbraw/zinc/31/47/07/879314707.db2.gz MJIUOZDSJRBUHB-UHFFFAOYSA-N -1 0 385.763 3.561 20 5 GHBDRM O=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000031312523 879411399 /nfs/dbraw/zinc/41/13/99/879411399.db2.gz OECRICREEBPHHH-UHFFFAOYSA-N -1 0 396.374 3.949 20 5 GHBDRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2[N+](=O)[O-])c(C)c1 ZINC000538497084 879578782 /nfs/dbraw/zinc/57/87/82/879578782.db2.gz YPZWIKHPEWDRQI-UHFFFAOYSA-N -1 0 380.422 3.501 20 5 GHBDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c1C ZINC000790417122 879697138 /nfs/dbraw/zinc/69/71/38/879697138.db2.gz 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O=C([O-])c1ccccc1C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000372641801 925604092 /nfs/dbraw/zinc/60/40/92/925604092.db2.gz RZYKMXVSGMLTLS-UHFFFAOYSA-N -1 0 388.807 3.966 20 5 GHBDRM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)cc2)o1 ZINC000466960078 928543929 /nfs/dbraw/zinc/54/39/29/928543929.db2.gz QYJRFSBYEPPMAA-UHFFFAOYSA-N -1 0 379.419 3.729 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3n2C)c1 ZINC000544625773 929360764 /nfs/dbraw/zinc/36/07/64/929360764.db2.gz JQYXENPVHPRJTF-UHFFFAOYSA-N -1 0 394.840 3.553 20 5 GHBDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCc1nc2ccccc2c2ccccc12 ZINC000759120008 930280028 /nfs/dbraw/zinc/28/00/28/930280028.db2.gz IYAXCFBAZYWNPH-UHFFFAOYSA-N -1 0 390.361 3.888 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)ccc1[N+](=O)[O-] ZINC000759164369 930296373 /nfs/dbraw/zinc/29/63/73/930296373.db2.gz WXDPXLARPLMYIF-UHFFFAOYSA-N -1 0 390.389 3.719 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])sc1-c1ccccc1 ZINC000759484653 930382977 /nfs/dbraw/zinc/38/29/77/930382977.db2.gz NIAKTJIIWBWOIS-UHFFFAOYSA-N -1 0 389.458 3.969 20 5 GHBDRM CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000780420268 930513394 /nfs/dbraw/zinc/51/33/94/930513394.db2.gz HDTFAUCOQHTHCQ-UHFFFAOYSA-N -1 0 382.825 3.868 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(OCCF)c2)cc1[N+](=O)[O-] ZINC000470439675 930617241 /nfs/dbraw/zinc/61/72/41/930617241.db2.gz WYUYPZVVHOQRDK-UHFFFAOYSA-N -1 0 388.804 3.706 20 5 GHBDRM Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000782755919 931325734 /nfs/dbraw/zinc/32/57/34/931325734.db2.gz XEVADHRKIOTMND-UHFFFAOYSA-N -1 0 394.409 3.665 20 5 GHBDRM O=C(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000557341055 931356501 /nfs/dbraw/zinc/35/65/01/931356501.db2.gz ARXRMLXNDMUNCF-SFHVURJKSA-N -1 0 390.823 3.852 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2cccc3c2ccn3C)c1 ZINC000783823522 931669295 /nfs/dbraw/zinc/66/92/95/931669295.db2.gz GDQGRTOLTKNJIA-UHFFFAOYSA-N -1 0 379.825 3.849 20 5 GHBDRM O=C(NCc1cccc(OCc2ccccc2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000557902265 931744284 /nfs/dbraw/zinc/74/42/84/931744284.db2.gz SKPPYFVWEYVUDB-UHFFFAOYSA-N -1 0 378.384 3.809 20 5 GHBDRM CCC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001116059386 933311361 /nfs/dbraw/zinc/31/13/61/933311361.db2.gz WHIYDSLJMQNIQV-OAHLLOKOSA-N -1 0 382.482 3.786 20 5 GHBDRM Cc1sc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])nc1-c1c[nH]c2ncccc12 ZINC000560610233 933384678 /nfs/dbraw/zinc/38/46/78/933384678.db2.gz XLUVXLPLNDTPQZ-UHFFFAOYSA-N -1 0 395.400 3.861 20 5 GHBDRM O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1c(F)cc([O-])cc1F ZINC001116663249 933691869 /nfs/dbraw/zinc/69/18/69/933691869.db2.gz JFYGWHKXMQRNKS-UHFFFAOYSA-N -1 0 388.120 3.698 20 5 GHBDRM CN(C[C@@H]1CC=CCC1)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001117798678 934031344 /nfs/dbraw/zinc/03/13/44/934031344.db2.gz AETWLTWIKXIDMR-GFCCVEGCSA-N -1 0 390.827 3.568 20 5 GHBDRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001601949293 971091370 /nfs/dbraw/zinc/09/13/70/971091370.db2.gz IRAIWEWUQBSETH-ZETCQYMHSA-N -1 0 379.171 3.510 20 5 GHBDRM O=C([O-])[C@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)c2ccccc21 ZINC001594811446 953830079 /nfs/dbraw/zinc/83/00/79/953830079.db2.gz SXPZFJGDFVNFKH-WCQYABFASA-N -1 0 375.768 3.683 20 5 GHBDRM CCC(CC)(C(=O)[O-])C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001589481405 954978147 /nfs/dbraw/zinc/97/81/47/954978147.db2.gz YFZZQGJMFBWGDL-UHFFFAOYSA-N -1 0 378.406 3.653 20 5 GHBDRM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001594963952 955031299 /nfs/dbraw/zinc/03/12/99/955031299.db2.gz AKZQQRKRHMGZHQ-INIZCTEOSA-N -1 0 391.221 3.541 20 5 GHBDRM Cc1ccc(Sc2ccc(C(=O)Nc3n[nH]cc3C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001594378012 958608333 /nfs/dbraw/zinc/60/83/33/958608333.db2.gz PNASCTIPVZNEFH-UHFFFAOYSA-N -1 0 398.400 3.728 20 5 GHBDRM O=C([O-])[C@@H]1C[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC001574524980 961873960 /nfs/dbraw/zinc/87/39/60/961873960.db2.gz ALXDENJEIANJOW-NVXWUHKLSA-N -1 0 388.807 3.610 20 5 GHBDRM O=C([O-])c1ccccc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001574573635 962063361 /nfs/dbraw/zinc/06/33/61/962063361.db2.gz BDMKBFNZUPFPQJ-UHFFFAOYSA-N -1 0 383.282 3.634 20 5 GHBDRM CC(C)C[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)CC(=O)[O-] ZINC001588894922 969902887 /nfs/dbraw/zinc/90/28/87/969902887.db2.gz QGURKJOEUXMJKO-LBPRGKRZSA-N -1 0 391.449 3.585 20 5 GHBDRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)c1 ZINC001605141081 972818474 /nfs/dbraw/zinc/81/84/74/972818474.db2.gz OSUXUMABHINUMB-UHFFFAOYSA-N -1 0 379.166 3.616 20 5 GHBDRM O=C([O-])COc1ccc(C(=O)O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc1 ZINC001606285107 973677156 /nfs/dbraw/zinc/67/71/56/973677156.db2.gz GIYUVNNJEYVFNV-OAHLLOKOSA-N -1 0 399.277 3.519 20 5 GHBDRM CON(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H](C)C(=O)[O-] ZINC001604661898 973840346 /nfs/dbraw/zinc/84/03/46/973840346.db2.gz WRSKVNOOMPFWBM-SNVBAGLBSA-N -1 0 394.767 3.517 20 5 GHBDRM CC(C)c1nc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC001592022568 976720669 /nfs/dbraw/zinc/72/06/69/976720669.db2.gz PRMJGBOVMZBJAI-VXGBXAGGSA-N -1 0 375.406 3.615 20 5 GHBDRM C[C@H](CCCNC(=O)OC(C)(C)C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001592487936 978279252 /nfs/dbraw/zinc/27/92/52/978279252.db2.gz XBDJWBKWCOOOIM-CHOZFAJLSA-N -1 0 393.440 3.798 20 5 GHBDRM C[C@H](CCc1ccc(Br)cc1)Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001592536976 978408836 /nfs/dbraw/zinc/40/88/36/978408836.db2.gz AVEDSISQQKWFIH-SNVBAGLBSA-N -1 0 394.225 3.884 20 5 GHBDRM C[C@@H](CCc1ccco1)NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001592552014 978435742 /nfs/dbraw/zinc/43/57/42/978435742.db2.gz IDXQBFUTIZGJMK-LBPRGKRZSA-N -1 0 392.433 3.506 20 5 GHBDRM CCC(CC)(NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001595098228 979401735 /nfs/dbraw/zinc/40/17/35/979401735.db2.gz VKABORXBNJZJNE-UHFFFAOYSA-N -1 0 386.404 3.547 20 5 GHBDRM C[C@H](Cc1ccsc1)NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001592906825 979849859 /nfs/dbraw/zinc/84/98/59/979849859.db2.gz PPSJRSKXLLPAEM-LLVKDONJSA-N -1 0 394.474 3.584 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC001595213635 980008038 /nfs/dbraw/zinc/00/80/38/980008038.db2.gz WTOKAQIROPEXIL-ZSZQSSIHSA-N -1 0 384.432 3.742 20 5 GHBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001595213926 980011733 /nfs/dbraw/zinc/01/17/33/980011733.db2.gz ZMVSARPMUSIEQQ-LPHOPBHVSA-N -1 0 384.432 3.722 20 5 GHBDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001594792744 981862271 /nfs/dbraw/zinc/86/22/71/981862271.db2.gz PTWMFXDTOGWDTE-MRXNPFEDSA-N -1 0 388.342 3.719 20 5 GHBDRM O=C(Nc1ccc(OC(F)F)c(F)c1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001626092644 1014876576 /nfs/dbraw/zinc/87/65/76/1014876576.db2.gz NLHCIXZNPMUWRO-UHFFFAOYSA-N -1 0 376.674 3.947 20 5 GHBDRM CC[C@@H](C)NC(=O)c1cccc(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC001594995254 982891981 /nfs/dbraw/zinc/89/19/81/982891981.db2.gz UVYSBNKJXJVSMI-CYBMUJFWSA-N -1 0 385.420 3.742 20 5 GHBDRM CCCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC001595885797 982909855 /nfs/dbraw/zinc/90/98/55/982909855.db2.gz HBDZNSULQSTWOZ-CQSZACIVSA-N -1 0 385.420 3.532 20 5 GHBDRM CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001595894551 982930921 /nfs/dbraw/zinc/93/09/21/982930921.db2.gz KIAXZAAJVYWLJI-UHFFFAOYSA-N -1 0 398.824 3.552 20 5 GHBDRM CCCOc1ccc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1F ZINC001595966064 983170426 /nfs/dbraw/zinc/17/04/26/983170426.db2.gz AETUKICXUNJOAM-UHFFFAOYSA-N -1 0 378.356 3.598 20 5 GHBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC001595987740 983240183 /nfs/dbraw/zinc/24/01/83/983240183.db2.gz PHHSIXRNKJCZEA-HNNXBMFYSA-N -1 0 386.429 3.926 20 5 GHBDRM C/C(=C/C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC001588940244 984633485 /nfs/dbraw/zinc/63/34/85/984633485.db2.gz ZZRRAMLYKKVABN-LEVJEWGPSA-N -1 0 388.807 3.768 20 5 GHBDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1cc(Cl)ccc1[N+](=O)[O-] ZINC001594568778 986374527 /nfs/dbraw/zinc/37/45/27/986374527.db2.gz MNGDDBCCPSQFJC-LBPRGKRZSA-N -1 0 375.812 3.662 20 5 GHBDRM CCOc1cccc(Cl)c1CN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001597155614 986951877 /nfs/dbraw/zinc/95/18/77/986951877.db2.gz PWRBRQDVMMHTEB-GOSISDBHSA-N -1 0 378.812 3.737 20 5 GHBDRM CCS[C@@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001597258928 987274910 /nfs/dbraw/zinc/27/49/10/987274910.db2.gz ZIVJPBQQZBEMCO-UKRRQHHQSA-N -1 0 398.506 3.566 20 5 GHBDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC001589612048 987471219 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WINAWUDYTQDHAC-UHFFFAOYSA-N -1 0 393.446 3.531 20 5 GHBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C[C@H]1C(=O)[O-] ZINC001599862568 989193517 /nfs/dbraw/zinc/19/35/17/989193517.db2.gz CULYUFDXCVXLNL-MLGOLLRUSA-N -1 0 392.477 3.670 20 5 GHBDRM CCn1c(Sc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])nnc1-c1ccncc1 ZINC001597869159 989665545 /nfs/dbraw/zinc/66/55/45/989665545.db2.gz SPSLXSOUNAVVTI-XQRVVYSFSA-N -1 0 397.416 3.517 20 5 GHBDRM CN(C(=O)/C=C/c1cc(C(=O)[O-])co1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001598006126 990157657 /nfs/dbraw/zinc/15/76/57/990157657.db2.gz IOWHVUJMVZZJBA-VOTSOKGWSA-N -1 0 399.384 3.686 20 5 GHBDRM CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598039811 990267113 /nfs/dbraw/zinc/26/71/13/990267113.db2.gz CHJAIOMWGPJADK-INIZCTEOSA-N -1 0 397.214 3.728 20 5 GHBDRM COc1ccccc1-c1cc(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])on1 ZINC001599692804 991097859 /nfs/dbraw/zinc/09/78/59/991097859.db2.gz CMNFFLCOQXNLAJ-UHFFFAOYSA-N -1 0 383.360 3.877 20 5 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GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccn(C3CCCCC3)n2)c1 ZINC001320800540 1055967424 /nfs/dbraw/zinc/96/74/24/1055967424.db2.gz USBHYZJCNVAKPW-UHFFFAOYSA-N -1 0 378.454 3.714 20 5 GHBDRM O=C([O-])[C@H](Cc1ccccc1Cl)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001322277496 1056603371 /nfs/dbraw/zinc/60/33/71/1056603371.db2.gz XTIVYGLOJZXBBM-AWEZNQCLSA-N -1 0 398.202 3.719 20 5 GHBDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)n2)c1 ZINC001324272923 1057102411 /nfs/dbraw/zinc/10/24/11/1057102411.db2.gz QSQGECNYFABMLP-UHFFFAOYSA-N -1 0 392.415 3.766 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccn(C3CCCCC3)n2)ccc1Cl ZINC001324653932 1057191048 /nfs/dbraw/zinc/19/10/48/1057191048.db2.gz BQLTWUXFLNZFTE-UHFFFAOYSA-N -1 0 384.845 3.751 20 5 GHBDRM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]c(C(F)(F)F)c1 ZINC001325197776 1057287812 /nfs/dbraw/zinc/28/78/12/1057287812.db2.gz UTEXUIGJCUQJHS-UHFFFAOYSA-N -1 0 392.359 3.563 20 5 GHBDRM O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001442534005 1058973627 /nfs/dbraw/zinc/97/36/27/1058973627.db2.gz SZVOAAIRIOAXQY-UHFFFAOYSA-N -1 0 390.395 3.832 20 5 GHBDRM CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2ccccc21 ZINC001452749719 1061002281 /nfs/dbraw/zinc/00/22/81/1061002281.db2.gz XCCQYEURHCZZRE-HZPDHXFCSA-N -1 0 398.415 3.601 20 5 GHBDRM CCC[C@H](C)CCNC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001455269117 1062082488 /nfs/dbraw/zinc/08/24/88/1062082488.db2.gz ZBBGCHMNPUDJON-NSHDSACASA-N -1 0 380.832 3.696 20 5 GHBDRM Cc1cc(C)c(C)c(C([O-])=CS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC001458832466 1063944257 /nfs/dbraw/zinc/94/42/57/1063944257.db2.gz CGNBBIYLWHMQOJ-UHFFFAOYSA-N -1 0 375.446 3.794 20 5 GHBDRM CCc1cccc(NC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])c1 ZINC001463567785 1064466766 /nfs/dbraw/zinc/46/67/66/1064466766.db2.gz CYHWIABVQUCSIG-UHFFFAOYSA-N -1 0 386.795 3.954 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3)C2)c1 ZINC001463632115 1064514869 /nfs/dbraw/zinc/51/48/69/1064514869.db2.gz NEJZATAINUJJEO-HAQNSBGRSA-N -1 0 384.816 3.612 20 5 GHBDRM CC(C)[C@H](CNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001463670299 1064541365 /nfs/dbraw/zinc/54/13/65/1064541365.db2.gz ZNNSIDOWIOOXPW-HNNXBMFYSA-N -1 0 398.868 3.672 20 5 GHBDRM CCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001465260218 1065507330 /nfs/dbraw/zinc/50/73/30/1065507330.db2.gz QJJGNKTXVVHGIT-QZTJIDSGSA-N -1 0 376.453 3.890 20 5 GHBDRM Cc1ccc(NCCCNC(=O)c2ccc3oc(=S)[n-]c3c2)c([N+](=O)[O-])c1 ZINC001465289071 1065527203 /nfs/dbraw/zinc/52/72/03/1065527203.db2.gz IAVIKRJEUSQNLN-UHFFFAOYSA-N -1 0 386.433 3.565 20 5 GHBDRM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001465571765 1065723132 /nfs/dbraw/zinc/72/31/32/1065723132.db2.gz WRUJUNDZPNDNIG-UHFFFAOYSA-N -1 0 393.783 3.615 20 5 GHBDRM C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001466628527 1066221467 /nfs/dbraw/zinc/22/14/67/1066221467.db2.gz DRNBSAPRRZCHCC-SUMWQHHRSA-N -1 0 391.221 3.979 20 5 GHBDRM Cc1ccc(-c2ccc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])cc2)nn1 ZINC001546162572 1067291615 /nfs/dbraw/zinc/29/16/15/1067291615.db2.gz OODLGNVNLLDMFT-UHFFFAOYSA-N -1 0 384.779 3.972 20 5 GHBDRM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc(Cl)c2ccccc2c1[O-] ZINC001467560849 1067359758 /nfs/dbraw/zinc/35/97/58/1067359758.db2.gz KMTFTAPQEWUMRF-UHFFFAOYSA-N -1 0 396.790 3.913 20 5 GHBDRM Cc1ccc2nc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4[O-])c3)[nH]c2n1 ZINC001471309722 1073010395 /nfs/dbraw/zinc/01/03/95/1073010395.db2.gz IHOBLZIQHLJIOG-UHFFFAOYSA-N -1 0 389.371 3.799 20 5 GHBDRM CC(C)(C)c1ccc(C(C)(C)C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC001475158663 1074762399 /nfs/dbraw/zinc/76/23/99/1074762399.db2.gz NDAXJDRJNSSYIU-UHFFFAOYSA-N -1 0 391.493 3.543 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1Oc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000737905752 599707652 /nfs/dbraw/zinc/70/76/52/599707652.db2.gz RXFWSGPMUAQCMN-UHFFFAOYSA-N -1 0 375.362 3.715 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000485801154 600067897 /nfs/dbraw/zinc/06/78/97/600067897.db2.gz IKNVICPNPJKMAW-UHFFFAOYSA-N -1 0 390.417 3.564 20 5 GHBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1ccccc1N(C)C(=O)[O-] ZINC000736493884 600141996 /nfs/dbraw/zinc/14/19/96/600141996.db2.gz FWGPXWLPBJYZRR-UHFFFAOYSA-N -1 0 388.376 3.853 20 5 GHBDRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc(C)c1OC(F)F ZINC000738336088 600189983 /nfs/dbraw/zinc/18/99/83/600189983.db2.gz VATLCCOKKSNXBQ-UHFFFAOYSA-N -1 0 380.303 3.764 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2ccc(Oc3ccccc3)nc2)cc([N+](=O)[O-])c1 ZINC000740088639 600190365 /nfs/dbraw/zinc/19/03/65/600190365.db2.gz MJQAYMSSQKNNPZ-UHFFFAOYSA-N -1 0 379.328 3.733 20 5 GHBDRM O=C([O-])CSCc1cccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000739871883 600199044 /nfs/dbraw/zinc/19/90/44/600199044.db2.gz QDKSPUYTHWXXTM-UHFFFAOYSA-N -1 0 380.809 3.818 20 5 GHBDRM CCCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000737020831 600237349 /nfs/dbraw/zinc/23/73/49/600237349.db2.gz LQKWWFJKIUGDII-UHFFFAOYSA-N -1 0 398.824 3.552 20 5 GHBDRM O=C([O-])c1cccc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000740215662 600282247 /nfs/dbraw/zinc/28/22/47/600282247.db2.gz HHUOVDGHPMWGFL-UHFFFAOYSA-N -1 0 379.328 3.733 20 5 GHBDRM O=C([O-])[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cccc(Cl)c1 ZINC000740292887 600325927 /nfs/dbraw/zinc/32/59/27/600325927.db2.gz RPSHPBWCGQCHIS-OAHLLOKOSA-N -1 0 375.720 3.977 20 5 GHBDRM O=C([O-])c1cc(OCc2noc(-c3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-] ZINC000740087391 600443049 /nfs/dbraw/zinc/44/30/49/600443049.db2.gz LQAJVVRMYXFMTJ-UHFFFAOYSA-N -1 0 375.724 3.575 20 5 GHBDRM Cc1cc(C(=O)COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(C)n1Cc1ccco1 ZINC000738318377 600443938 /nfs/dbraw/zinc/44/39/38/600443938.db2.gz HLGNTAYMURGJTQ-UHFFFAOYSA-N -1 0 398.371 3.614 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736711407 600444970 /nfs/dbraw/zinc/44/49/70/600444970.db2.gz BDGMZOLWSLDGLN-ZUZCIYMTSA-N -1 0 379.365 3.584 20 5 GHBDRM O=C([O-])[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000263110041 600483651 /nfs/dbraw/zinc/48/36/51/600483651.db2.gz VNLIIGMVRDCYBU-ZDUSSCGKSA-N -1 0 385.376 3.716 20 5 GHBDRM CN(c1ccccc1)c1ccc(CNCc2ccc(C(=O)[O-])o2)cc1[N+](=O)[O-] ZINC000737506649 600523707 /nfs/dbraw/zinc/52/37/07/600523707.db2.gz UTJREGKBRYQLHE-UHFFFAOYSA-N -1 0 381.388 3.944 20 5 GHBDRM O=C([O-])c1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(OC(F)F)c1 ZINC000740149853 600589153 /nfs/dbraw/zinc/58/91/53/600589153.db2.gz DKZYUNGIVINANS-UHFFFAOYSA-N -1 0 386.694 3.800 20 5 GHBDRM O=C([O-])c1ccc(NCc2csc([N+](=O)[O-])c2)c(OCC(F)(F)F)c1 ZINC000740155081 600677320 /nfs/dbraw/zinc/67/73/20/600677320.db2.gz LVBDDIIWXLPFRS-UHFFFAOYSA-N -1 0 376.312 3.908 20 5 GHBDRM O=C([O-])/C=C/c1ccc(NC[C@@H](O)c2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000739626375 600791932 /nfs/dbraw/zinc/79/19/32/600791932.db2.gz SPMBLCIDWDHOAN-KEDPEKRHSA-N -1 0 380.759 3.631 20 5 GHBDRM C[C@@H](NC(=O)c1ccc(N[C@H](CC2CC2)c2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703930 600819929 /nfs/dbraw/zinc/81/99/29/600819929.db2.gz URHHYOWQEUQQID-FZKQIMNGSA-N -1 0 397.431 3.751 20 5 GHBDRM O=C([O-])Nc1ccc(CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000833287577 600891858 /nfs/dbraw/zinc/89/18/58/600891858.db2.gz NCRWZTPZZQDECY-UHFFFAOYSA-N -1 0 397.309 3.676 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)c1 ZINC000738665208 601007866 /nfs/dbraw/zinc/00/78/66/601007866.db2.gz XMQGCQKBPGTMGU-UHFFFAOYSA-N -1 0 397.412 3.901 20 5 GHBDRM O=C([O-])Cc1ccccc1OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000739896103 601023277 /nfs/dbraw/zinc/02/32/77/601023277.db2.gz LNDDBYDRHUAEFR-UHFFFAOYSA-N -1 0 384.369 3.565 20 5 GHBDRM CSc1ccc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000738196934 601026469 /nfs/dbraw/zinc/02/64/69/601026469.db2.gz UBAFIZHHAUPZBW-UHFFFAOYSA-N -1 0 378.381 3.577 20 5 GHBDRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000833178767 601088692 /nfs/dbraw/zinc/08/86/92/601088692.db2.gz IYTGYZQJUANUNA-GOEBONIOSA-N -1 0 386.404 3.837 20 5 GHBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000826038937 601247018 /nfs/dbraw/zinc/24/70/18/601247018.db2.gz JHKKHPNXSMWKAS-BMIGLBTASA-N -1 0 377.784 3.832 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000262555809 601295519 /nfs/dbraw/zinc/29/55/19/601295519.db2.gz YFYSUPHPRCNAJZ-DCGLDWPTSA-N -1 0 388.445 3.654 20 5 GHBDRM C[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1noc(Cc2ccccc2)n1 ZINC000827767724 601383233 /nfs/dbraw/zinc/38/32/33/601383233.db2.gz IZCXKKWZHALJOX-KJJQSCHISA-N -1 0 394.387 3.840 20 5 GHBDRM O=C([O-])c1ccc(N2CCCC2)c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000833318236 601446222 /nfs/dbraw/zinc/44/62/22/601446222.db2.gz KLRLCDPUVANNSX-UHFFFAOYSA-N -1 0 389.795 3.799 20 5 GHBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000832785316 601587311 /nfs/dbraw/zinc/58/73/11/601587311.db2.gz KQTODNIWASQLII-CQSZACIVSA-N -1 0 380.809 3.526 20 5 GHBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828394592 601706468 /nfs/dbraw/zinc/70/64/68/601706468.db2.gz QTSSPTQZTVSHMN-LRDDRELGSA-N -1 0 386.429 3.539 20 5 GHBDRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000833031738 601725504 /nfs/dbraw/zinc/72/55/04/601725504.db2.gz NLQKOYBOPQNKHZ-QMMMGPOBSA-N -1 0 399.808 3.827 20 5 GHBDRM C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1C(=O)[O-] ZINC000828378244 601793397 /nfs/dbraw/zinc/79/33/97/601793397.db2.gz PQDKZPVUPUEZDM-PXAZEXFGSA-N -1 0 385.376 3.572 20 5 GHBDRM CCc1cc(N2CCC(CCC(=O)[O-])CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592981002 601829779 /nfs/dbraw/zinc/82/97/79/601829779.db2.gz NANJTTVGUOQFCV-UHFFFAOYSA-N -1 0 384.436 3.695 20 5 GHBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827890679 602004996 /nfs/dbraw/zinc/00/49/96/602004996.db2.gz WWQWRLLFXHKYND-QMMMGPOBSA-N -1 0 385.781 3.519 20 5 GHBDRM O=C([O-])NCCOc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000740669787 602283180 /nfs/dbraw/zinc/28/31/80/602283180.db2.gz YSGBBRRAJYAJAF-UHFFFAOYSA-N -1 0 394.771 3.539 20 5 GHBDRM Cc1cccc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)c1[N+](=O)[O-] ZINC000832962993 602300600 /nfs/dbraw/zinc/30/06/00/602300600.db2.gz JJKXOQVQEJKMCD-UHFFFAOYSA-N -1 0 380.356 3.772 20 5 GHBDRM Cc1cc(N[C@@H](C)c2ccc(N3CCCC3=O)cc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897559 602315192 /nfs/dbraw/zinc/31/51/92/602315192.db2.gz SMIOONUVCKSAET-ZDUSSCGKSA-N -1 0 383.404 3.901 20 5 GHBDRM Cc1cc(NCc2nn(-c3ccccc3)c3c2CCC3)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832898602 602315618 /nfs/dbraw/zinc/31/56/18/602315618.db2.gz QMQQZCCZLPYHTG-UHFFFAOYSA-N -1 0 392.415 3.888 20 5 GHBDRM Cc1cc(N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891390 602319636 /nfs/dbraw/zinc/31/96/36/602319636.db2.gz QMHRLWGSRPSDOA-AWEZNQCLSA-N -1 0 386.379 3.840 20 5 GHBDRM CN(CC1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1)C(=O)[O-] ZINC000739658029 602367074 /nfs/dbraw/zinc/36/70/74/602367074.db2.gz VHGSVDDIZAVLFJ-UHFFFAOYSA-N -1 0 377.444 3.850 20 5 GHBDRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000738814948 602408973 /nfs/dbraw/zinc/40/89/73/602408973.db2.gz DRMDHONGMUFJSZ-ZDUSSCGKSA-N -1 0 389.412 3.600 20 5 GHBDRM O=C([O-])Nc1ccccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000740715111 602626008 /nfs/dbraw/zinc/62/60/08/602626008.db2.gz FGGNFDSAPRTOCN-UHFFFAOYSA-N -1 0 399.281 3.878 20 5 GHBDRM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739188567 602642547 /nfs/dbraw/zinc/64/25/47/602642547.db2.gz KQYVDBZHTGQMOS-DYVFJYSZSA-N -1 0 383.404 3.662 20 5 GHBDRM O=C([O-])NCc1ccc2c(c1)CCCN2C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000740675167 602644874 /nfs/dbraw/zinc/64/48/74/602644874.db2.gz KHOJMRHZVAPPET-UHFFFAOYSA-N -1 0 389.795 3.609 20 5 GHBDRM O=C([O-])N1CCC[C@H]1C1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000740519038 602679186 /nfs/dbraw/zinc/67/91/86/602679186.db2.gz GTNVCHZZQSMSBD-AWEZNQCLSA-N -1 0 376.438 3.563 20 5 GHBDRM O=C([O-])Nc1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 ZINC000740705288 602786290 /nfs/dbraw/zinc/78/62/90/602786290.db2.gz QZCFZEKODGYZBO-UHFFFAOYSA-N -1 0 388.355 3.676 20 5 GHBDRM O=C([O-])Nc1ccccc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000740714321 602950733 /nfs/dbraw/zinc/95/07/33/602950733.db2.gz MQZODXPDAFZFDZ-UHFFFAOYSA-N -1 0 379.756 3.746 20 5 GHBDRM Cc1ccc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1NC(=O)[O-] ZINC000830182328 603266837 /nfs/dbraw/zinc/26/68/37/603266837.db2.gz YPOGJEDOEAUZFE-UHFFFAOYSA-N -1 0 377.784 3.919 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CC[C@@H](COCc3ccccc3)C2)cc1Cl ZINC000833306872 604270038 /nfs/dbraw/zinc/27/00/38/604270038.db2.gz FMHVLJDLJQERAY-CQSZACIVSA-N -1 0 390.823 3.990 20 5 GHBDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000826103984 604390849 /nfs/dbraw/zinc/39/08/49/604390849.db2.gz ZSAUWMPVHVYGDM-HNNXBMFYSA-N -1 0 376.796 3.830 20 5 GHBDRM Cc1ccc(NC(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)cc1[N+](=O)[O-] ZINC000832946449 604447334 /nfs/dbraw/zinc/44/73/34/604447334.db2.gz XSEFYJRQZDGVTQ-UHFFFAOYSA-N -1 0 398.419 3.710 20 5 GHBDRM Cc1cc([C@H](C)OC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])oc1C(=O)[O-] ZINC000832876795 604576167 /nfs/dbraw/zinc/57/61/67/604576167.db2.gz RQHVTXUKFNCQCI-VHSXEESVSA-N -1 0 397.767 3.920 20 5 GHBDRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000538588203 604933759 /nfs/dbraw/zinc/93/37/59/604933759.db2.gz CBSLTCFDYJMRGG-UHFFFAOYSA-N -1 0 381.388 3.583 20 5 GHBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000611478500 604996197 /nfs/dbraw/zinc/99/61/97/604996197.db2.gz FWCFVKXKLQEFKX-LBPRGKRZSA-N -1 0 376.434 3.773 20 5 GHBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000262772982 605172216 /nfs/dbraw/zinc/17/22/16/605172216.db2.gz MPAKARSYRWHIJW-MRXNPFEDSA-N -1 0 388.445 3.694 20 5 GHBDRM C/C(=C/C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833383611 605342638 /nfs/dbraw/zinc/34/26/38/605342638.db2.gz VDYLDCWANXKGKW-IRVMHKCDSA-N -1 0 382.416 3.748 20 5 GHBDRM CC(C)(C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C1 ZINC000833426828 605440284 /nfs/dbraw/zinc/44/02/84/605440284.db2.gz VUYHVJOMSKULNM-GFCCVEGCSA-N -1 0 380.466 3.670 20 5 GHBDRM C[C@H](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824563611 605533154 /nfs/dbraw/zinc/53/31/54/605533154.db2.gz CCYAGKPZRNJACB-GDBMZVCRSA-N -1 0 389.452 3.502 20 5 GHBDRM C[C@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000833798571 605910502 /nfs/dbraw/zinc/91/05/02/605910502.db2.gz DZWRTIGDTCDSFJ-ZBFHGGJFSA-N -1 0 389.452 3.502 20 5 GHBDRM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000133646873 834521376 /nfs/dbraw/zinc/52/13/76/834521376.db2.gz XYOXBXVUFHOOQG-CQSZACIVSA-N -1 0 397.431 3.876 20 5 GHBDRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000584403824 834525589 /nfs/dbraw/zinc/52/55/89/834525589.db2.gz WGMKVHPVIRGLLV-UHFFFAOYSA-N -1 0 399.737 3.645 20 5 GHBDRM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000128202513 834612758 /nfs/dbraw/zinc/61/27/58/834612758.db2.gz NVUDONHOMHLHJI-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)cs1 ZINC000120250692 834982691 /nfs/dbraw/zinc/98/26/91/834982691.db2.gz DMYUKSCAZMZQCK-UHFFFAOYSA-N -1 0 377.403 3.644 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c3cccnc23)cc1 ZINC000187073859 835001865 /nfs/dbraw/zinc/00/18/65/835001865.db2.gz SQFJMUQDVIDKNR-UHFFFAOYSA-N -1 0 395.343 3.545 20 5 GHBDRM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000187078516 835004104 /nfs/dbraw/zinc/00/41/04/835004104.db2.gz VCXQPIPRTWVWBP-BZNIZROVSA-N -1 0 376.796 3.556 20 5 GHBDRM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1Cl ZINC000559150076 835318870 /nfs/dbraw/zinc/31/88/70/835318870.db2.gz QOYGOMSQXOCFFF-VIFPVBQESA-N -1 0 375.233 3.941 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O ZINC000511319504 835322281 /nfs/dbraw/zinc/32/22/81/835322281.db2.gz HKZQEMBYTGMGLY-UHFFFAOYSA-N -1 0 377.205 3.716 20 5 GHBDRM O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1cc(F)c([O-])c(F)c1 ZINC000255658418 835500999 /nfs/dbraw/zinc/50/09/99/835500999.db2.gz MYEQZLGAICTSBV-XGICHPGQSA-N -1 0 380.690 3.577 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000536206332 835536312 /nfs/dbraw/zinc/53/63/12/835536312.db2.gz XGRMXHKXGDGDLE-QWHCGFSZSA-N -1 0 377.194 3.805 20 5 GHBDRM O=C(Nc1cccc2cc(Br)cnc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000557418216 836046560 /nfs/dbraw/zinc/04/65/60/836046560.db2.gz VRNVUGYCNCAWIY-UHFFFAOYSA-N -1 0 388.177 3.863 20 5 GHBDRM Cc1cccc(C[C@H](CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C(=O)[O-])c1 ZINC000431656951 836226817 /nfs/dbraw/zinc/22/68/17/836226817.db2.gz FIVGSFALOKXEQQ-QGZVFWFLSA-N -1 0 384.432 3.502 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1F ZINC000188579117 836332933 /nfs/dbraw/zinc/33/29/33/836332933.db2.gz KSOYDJKDLCLXLQ-UHFFFAOYSA-N -1 0 394.302 3.562 20 5 GHBDRM COc1ccc([C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000612523835 836355092 /nfs/dbraw/zinc/35/50/92/836355092.db2.gz IRDIWDXJIMMQBY-FQEVSTJZSA-N -1 0 378.384 3.828 20 5 GHBDRM O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612529035 836363975 /nfs/dbraw/zinc/36/39/75/836363975.db2.gz CXJSTSWKNWAHEF-UHFFFAOYSA-N -1 0 391.355 3.878 20 5 GHBDRM COc1ccc(CN=c2[n-]nc(-c3ccccc3Cl)s2)cc1[N+](=O)[O-] ZINC000544814411 844177903 /nfs/dbraw/zinc/17/79/03/844177903.db2.gz VOCOCWJUAGJWRL-UHFFFAOYSA-N -1 0 376.825 3.809 20 5 GHBDRM CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000610261010 836824030 /nfs/dbraw/zinc/82/40/30/836824030.db2.gz QBYAULVRIPUTQH-CQSZACIVSA-N -1 0 381.429 3.585 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2c(s1)c(C)ccc2C ZINC000066249834 837017591 /nfs/dbraw/zinc/01/75/91/837017591.db2.gz KMCGZJVHFVMGSR-UHFFFAOYSA-N -1 0 393.446 3.631 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OC(F)(F)F)c1 ZINC000024429445 838075320 /nfs/dbraw/zinc/07/53/20/838075320.db2.gz WWMAILWLIUNHJD-UHFFFAOYSA-N -1 0 376.312 3.603 20 5 GHBDRM O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000376735341 838663562 /nfs/dbraw/zinc/66/35/62/838663562.db2.gz GNHDHKBXPVPLTO-UHFFFAOYSA-N -1 0 393.403 3.538 20 5 GHBDRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000541304861 838863150 /nfs/dbraw/zinc/86/31/50/838863150.db2.gz RFKFRSMAVOXDIX-UHFFFAOYSA-N -1 0 382.417 3.545 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N(CCc1ccccc1)Cc1cccnc1 ZINC000136853611 838967368 /nfs/dbraw/zinc/96/73/68/838967368.db2.gz ZYAPXLTZQFDYDP-UHFFFAOYSA-N -1 0 377.400 3.581 20 5 GHBDRM Cc1nc(-c2ccccc2)c([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000545381524 839577814 /nfs/dbraw/zinc/57/78/14/839577814.db2.gz LAOVQDQBVABQDX-UHFFFAOYSA-N -1 0 389.458 3.969 20 5 GHBDRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)c1ccc(Nc3ccccc3)c([N+](=O)[O-])c1)C2 ZINC000542141022 839878621 /nfs/dbraw/zinc/87/86/21/839878621.db2.gz VMPIZAXZOSMWJQ-YCRPNKLZSA-N -1 0 395.415 3.665 20 5 GHBDRM O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119085360 839885616 /nfs/dbraw/zinc/88/56/16/839885616.db2.gz FLIGOEIQCHXORN-UHFFFAOYSA-N -1 0 390.808 3.648 20 5 GHBDRM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000119091913 839885782 /nfs/dbraw/zinc/88/57/82/839885782.db2.gz LNBBZAIQWKSRNQ-UHFFFAOYSA-N -1 0 397.478 3.813 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)cc1[N+](=O)[O-] ZINC000119422106 839922992 /nfs/dbraw/zinc/92/29/92/839922992.db2.gz XXXXQQMLNQGXRG-UHFFFAOYSA-N -1 0 396.368 3.549 20 5 GHBDRM Cc1ccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(Br)c1 ZINC000537768078 840276439 /nfs/dbraw/zinc/27/64/39/840276439.db2.gz NTFVLRMTNVAJSX-JTQLQIEISA-N -1 0 395.209 3.777 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2nc3cc(F)c(F)cc3s2)ccc1[N+](=O)[O-] ZINC000566816451 840503453 /nfs/dbraw/zinc/50/34/53/840503453.db2.gz BLEGBGNUBSOPNJ-UHFFFAOYSA-N -1 0 385.373 3.592 20 5 GHBDRM O=C([O-])c1sc(-c2cc(F)ccc2OCC2CCOCC2)cc1[N+](=O)[O-] ZINC000584791235 840883055 /nfs/dbraw/zinc/88/30/55/840883055.db2.gz CBBIIZBLNNCIFH-UHFFFAOYSA-N -1 0 381.381 3.966 20 5 GHBDRM Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000610500349 841222956 /nfs/dbraw/zinc/22/29/56/841222956.db2.gz WWZXHWXZVUOCAY-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000055619563 861268147 /nfs/dbraw/zinc/26/81/47/861268147.db2.gz OUWNMKGBUUHMTP-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2c(C)cccc2OC(F)F)c1 ZINC000544638307 842082176 /nfs/dbraw/zinc/08/21/76/842082176.db2.gz PSBCKXVRFLXEJB-UHFFFAOYSA-N -1 0 386.376 3.922 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000111632399 842083010 /nfs/dbraw/zinc/08/30/10/842083010.db2.gz WZARBQZKAALIPC-UHFFFAOYSA-N -1 0 383.379 3.941 20 5 GHBDRM CN(Cc1cscn1)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000182005942 842184780 /nfs/dbraw/zinc/18/47/80/842184780.db2.gz ZKPUVQUFHVUTKE-UHFFFAOYSA-N -1 0 398.444 3.641 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(c2nc3ccccc3s2)CC1 ZINC000184597097 842864097 /nfs/dbraw/zinc/86/40/97/842864097.db2.gz VFXGOSLCQVVLEJ-UHFFFAOYSA-N -1 0 383.429 3.930 20 5 GHBDRM C[C@@H](Cc1ccc(Cl)cc1Cl)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000509730001 843098567 /nfs/dbraw/zinc/09/85/67/843098567.db2.gz RLHWLZVOYUZPOP-QMMMGPOBSA-N -1 0 395.289 3.873 20 5 GHBDRM O=C(NCCCCc1nc(-c2cccnc2)cs1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000510872582 843679478 /nfs/dbraw/zinc/67/94/78/843679478.db2.gz RDEVKCPSMAYVRF-UHFFFAOYSA-N -1 0 398.444 3.572 20 5 GHBDRM O=C(Nc1ccnn1[C@@H]1CCCc2ccccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185775851 861451735 /nfs/dbraw/zinc/45/17/35/861451735.db2.gz FFRNIJVVDYJMOH-MRXNPFEDSA-N -1 0 378.388 3.675 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000610875970 844723822 /nfs/dbraw/zinc/72/38/22/844723822.db2.gz FCPRTVROPCHJFB-OCAPTIKFSA-N -1 0 386.248 3.503 20 5 GHBDRM O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000136974182 844976258 /nfs/dbraw/zinc/97/62/58/844976258.db2.gz VBUXTNPETUNZJO-ZDUSSCGKSA-N -1 0 381.388 3.848 20 5 GHBDRM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)c2)n1 ZINC000603975978 861526558 /nfs/dbraw/zinc/52/65/58/861526558.db2.gz VAWBVDANXAPLCN-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc3c(ccc(F)c3F)s2)c1C ZINC000500877656 845106467 /nfs/dbraw/zinc/10/64/67/845106467.db2.gz XGZUYXVAQFNAEC-UHFFFAOYSA-N -1 0 399.400 3.900 20 5 GHBDRM COc1cc(Br)ccc1/C=C\c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000513443362 845454246 /nfs/dbraw/zinc/45/42/46/845454246.db2.gz NVBQTIOILRVLMH-HYXAFXHYSA-N -1 0 379.166 3.630 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](c2ccccc2)C2CCCC2)ccc1[O-] ZINC000604037726 861613698 /nfs/dbraw/zinc/61/36/98/861613698.db2.gz GSUJYBICNIWHJJ-SFHVURJKSA-N -1 0 376.434 3.510 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCc3ccccc32)c(Cl)c1 ZINC000604025550 861628885 /nfs/dbraw/zinc/62/88/85/861628885.db2.gz NOQKCXXVMRYRNG-ZDUSSCGKSA-N -1 0 380.853 3.647 20 5 GHBDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000263278076 846088556 /nfs/dbraw/zinc/08/85/56/846088556.db2.gz WYBMPSQHFMZMMJ-MRXNPFEDSA-N -1 0 388.445 3.879 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c(Cl)c1 ZINC000604036999 861654664 /nfs/dbraw/zinc/65/46/64/861654664.db2.gz TVFBKPRFZVZRRY-CYBMUJFWSA-N -1 0 394.758 3.830 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cc(Cl)ccc3F)n[nH]2)c1 ZINC000551388280 846357664 /nfs/dbraw/zinc/35/76/64/846357664.db2.gz FTCGOTOZZZEUNJ-UHFFFAOYSA-N -1 0 396.787 3.578 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](Cc2ccccc2)c2ccccc2)ccc1[O-] ZINC000604091930 861759960 /nfs/dbraw/zinc/75/99/60/861759960.db2.gz XZDWWZCMLTZEPQ-GOSISDBHSA-N -1 0 398.440 3.563 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(-c2nccs2)c1 ZINC000604117494 861794777 /nfs/dbraw/zinc/79/47/77/861794777.db2.gz SJSLXAMFEREPCY-UHFFFAOYSA-N -1 0 391.430 3.528 20 5 GHBDRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000479615334 847761262 /nfs/dbraw/zinc/76/12/62/847761262.db2.gz MQFGANJQZYVKRF-UHFFFAOYSA-N -1 0 380.470 3.708 20 5 GHBDRM O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3cccc4cnccc43)sc2c1 ZINC000430069883 847944879 /nfs/dbraw/zinc/94/48/79/847944879.db2.gz BOQSVDITKDYOJD-UHFFFAOYSA-N -1 0 386.414 3.554 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)nc1 ZINC000511182708 848053624 /nfs/dbraw/zinc/05/36/24/848053624.db2.gz JELAPVQPJAHJQH-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM CN(C)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000731783629 861889613 /nfs/dbraw/zinc/88/96/13/861889613.db2.gz TVEGHDMIDMZDHI-UHFFFAOYSA-N -1 0 390.248 3.768 20 5 GHBDRM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c1 ZINC000583402384 849809231 /nfs/dbraw/zinc/80/92/31/849809231.db2.gz BQMXXZMQCFTICF-UHFFFAOYSA-N -1 0 398.265 3.572 20 5 GHBDRM O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3cccc4ncccc43)sc2c1 ZINC000430072663 849903850 /nfs/dbraw/zinc/90/38/50/849903850.db2.gz UPEYBMCTIPHAPZ-UHFFFAOYSA-N -1 0 386.414 3.554 20 5 GHBDRM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000434972907 849961177 /nfs/dbraw/zinc/96/11/77/849961177.db2.gz QOPXHKDYRIGYBH-UHFFFAOYSA-N -1 0 392.824 3.748 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2noc(=NCc3ccccc3OCC(F)(F)F)[n-]2)cc1 ZINC000486962045 850299722 /nfs/dbraw/zinc/29/97/22/850299722.db2.gz ZQJGSBPSOHKJNS-UHFFFAOYSA-N -1 0 394.309 3.620 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000519200857 850751044 /nfs/dbraw/zinc/75/10/44/850751044.db2.gz KLAIQCXJEDGSQR-UHFFFAOYSA-N -1 0 394.302 3.562 20 5 GHBDRM COc1cc([C@H](C)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1OCC(C)C ZINC000505475114 851501009 /nfs/dbraw/zinc/50/10/09/851501009.db2.gz YFGYPHODGKHUKT-ZDUSSCGKSA-N -1 0 388.420 3.835 20 5 GHBDRM CN(C(=O)c1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1)c1ccccc1 ZINC000505805410 851543208 /nfs/dbraw/zinc/54/32/08/851543208.db2.gz QJTHTSXVAYCHKB-UHFFFAOYSA-N -1 0 391.383 3.829 20 5 GHBDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000550100117 851562129 /nfs/dbraw/zinc/56/21/29/851562129.db2.gz ZOUMNKKXJKAVAL-UHFFFAOYSA-N -1 0 381.392 3.571 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)c([N+](=O)[O-])c1 ZINC000604571111 862310367 /nfs/dbraw/zinc/31/03/67/862310367.db2.gz MGUUSTBSIRVYPD-UHFFFAOYSA-N -1 0 375.406 3.969 20 5 GHBDRM CCC(=O)c1ccc([O-])c(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000436649124 852139605 /nfs/dbraw/zinc/13/96/05/852139605.db2.gz VWIMXRQMNJICDK-UHFFFAOYSA-N -1 0 394.387 3.546 20 5 GHBDRM COc1cc(Br)ccc1[C@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436841554 852406571 /nfs/dbraw/zinc/40/65/71/852406571.db2.gz SXYQUTVIGZFLET-VIFPVBQESA-N -1 0 395.209 3.563 20 5 GHBDRM O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436874559 852441569 /nfs/dbraw/zinc/44/15/69/852441569.db2.gz WGFWEMNVJSRIIA-GOSISDBHSA-N -1 0 383.791 3.868 20 5 GHBDRM Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])nc1-c1c[nH]c2ncccc12 ZINC000436894918 852445991 /nfs/dbraw/zinc/44/59/91/852445991.db2.gz GYJJVJOAJZRWMX-UHFFFAOYSA-N -1 0 395.400 3.861 20 5 GHBDRM C[C@H]1c2cccc(Br)c2CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436892420 852467613 /nfs/dbraw/zinc/46/76/13/852467613.db2.gz LQDNXOBNTGPLON-JTQLQIEISA-N -1 0 391.221 3.822 20 5 GHBDRM O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436907693 852473308 /nfs/dbraw/zinc/47/33/08/852473308.db2.gz GSAIEYRGGDDCKS-UHFFFAOYSA-N -1 0 383.404 3.569 20 5 GHBDRM COc1cc(C)c(Br)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436940968 852522767 /nfs/dbraw/zinc/52/27/67/852522767.db2.gz ZBIOEPUJVLQLNR-UHFFFAOYSA-N -1 0 381.182 3.632 20 5 GHBDRM C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436957885 852548464 /nfs/dbraw/zinc/54/84/64/852548464.db2.gz BTUYITYLGRWEJU-JTQLQIEISA-N -1 0 391.221 3.650 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000436974755 852560491 /nfs/dbraw/zinc/56/04/91/852560491.db2.gz BIWBWPZXXARDTK-CQSZACIVSA-N -1 0 386.795 3.807 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000436988059 852576288 /nfs/dbraw/zinc/57/62/88/852576288.db2.gz JMWKHIQAPHPOAD-OAHLLOKOSA-N -1 0 386.795 3.807 20 5 GHBDRM COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000518041292 852777021 /nfs/dbraw/zinc/77/70/21/852777021.db2.gz UIMYZRWUTRFEBC-UHFFFAOYSA-N -1 0 394.449 3.808 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000438789492 852840548 /nfs/dbraw/zinc/84/05/48/852840548.db2.gz FWXXAUYIVNVQBT-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM Cc1ccc(C[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000506472786 853236931 /nfs/dbraw/zinc/23/69/31/853236931.db2.gz UYTPIYYCFHEVDL-HXUWFJFHSA-N -1 0 377.400 3.718 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)cc1[N+](=O)[O-] ZINC000466963589 853860769 /nfs/dbraw/zinc/86/07/69/853860769.db2.gz FBKAATXVHOUWOA-UHFFFAOYSA-N -1 0 396.446 3.807 20 5 GHBDRM CC(C)(C)c1nc(=NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s[n-]1 ZINC000454707436 854042649 /nfs/dbraw/zinc/04/26/49/854042649.db2.gz LDGUGBDKFYTLQD-CYBMUJFWSA-N -1 0 389.481 3.577 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc(N3CC[C@H](C)[C@H](C(=O)[O-])C3)c([N+](=O)[O-])c2)cc1 ZINC000572121499 854400823 /nfs/dbraw/zinc/40/08/23/854400823.db2.gz YKDGQOVFLRSOJX-WMLDXEAASA-N -1 0 397.431 3.703 20 5 GHBDRM Cn1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(-c2cccs2)n1 ZINC000186047753 862615756 /nfs/dbraw/zinc/61/57/56/862615756.db2.gz SVCUYLHEWQZHAU-UHFFFAOYSA-N -1 0 378.797 3.668 20 5 GHBDRM Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000589557630 855026664 /nfs/dbraw/zinc/02/66/64/855026664.db2.gz DLUQQSOPSSRRHI-UHFFFAOYSA-N -1 0 395.746 3.771 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000553472257 855044763 /nfs/dbraw/zinc/04/47/63/855044763.db2.gz OCKLTBRTOPUAJK-UHFFFAOYSA-N -1 0 394.302 3.562 20 5 GHBDRM CCCc1[nH]nc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)c1[N+](=O)[O-] ZINC000159402318 862635745 /nfs/dbraw/zinc/63/57/45/862635745.db2.gz USMKASQTTDMSBG-UHFFFAOYSA-N -1 0 390.450 3.525 20 5 GHBDRM O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1cccc([O-])c1[N+](=O)[O-] ZINC000553608349 855145230 /nfs/dbraw/zinc/14/52/30/855145230.db2.gz WEMYBPQCBFAUPL-AWEZNQCLSA-N -1 0 378.331 3.709 20 5 GHBDRM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000057123747 855224816 /nfs/dbraw/zinc/22/48/16/855224816.db2.gz ACPSYPWIOCXUJT-GFCCVEGCSA-N -1 0 380.422 3.582 20 5 GHBDRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNc1cccnc1[N+](=O)[O-] ZINC000590715390 855558555 /nfs/dbraw/zinc/55/85/55/855558555.db2.gz HGIQFMLMWWXLDM-INIZCTEOSA-N -1 0 381.436 3.525 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])ccc1F ZINC000485050119 855870154 /nfs/dbraw/zinc/87/01/54/855870154.db2.gz MZCGKYJBRGIEET-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=C([O-])[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H]1c1ccccc1 ZINC000427698570 856602847 /nfs/dbraw/zinc/60/28/47/856602847.db2.gz QKKTUQWMSBZMBA-JKSUJKDBSA-N -1 0 396.424 3.750 20 5 GHBDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000485692726 856933468 /nfs/dbraw/zinc/93/34/68/856933468.db2.gz HSKZFXYMTLJSDY-UHFFFAOYSA-N -1 0 383.360 3.814 20 5 GHBDRM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])on1 ZINC000173492105 856954542 /nfs/dbraw/zinc/95/45/42/856954542.db2.gz GSCPCJTUHZSAKG-UHFFFAOYSA-N -1 0 387.845 3.618 20 5 GHBDRM CCN(CCC(=O)[O-])C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000485699198 856973748 /nfs/dbraw/zinc/97/37/48/856973748.db2.gz XIGUNCOUBMUCOG-UHFFFAOYSA-N -1 0 392.795 3.977 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2noc3ccccc32)c(C(F)(F)F)c1 ZINC000508221110 857081857 /nfs/dbraw/zinc/08/18/57/857081857.db2.gz IWTYBBPAUNVEEQ-UHFFFAOYSA-N -1 0 387.295 3.556 20 5 GHBDRM O=C([N-]c1nc(C2CC2)no1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001129083785 857643006 /nfs/dbraw/zinc/64/30/06/857643006.db2.gz CRMOYIGBPIMXPO-UHFFFAOYSA-N -1 0 380.360 3.687 20 5 GHBDRM Cc1cc(C(=O)NCc2c(C(=O)[O-])sc3ccsc32)ccc1[N+](=O)[O-] ZINC000486376934 857690411 /nfs/dbraw/zinc/69/04/11/857690411.db2.gz RNGBREHEWZEMHH-UHFFFAOYSA-N -1 0 376.415 3.808 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c2cccnc12 ZINC000486611790 857897348 /nfs/dbraw/zinc/89/73/48/857897348.db2.gz MMTFVSKDJSDMRQ-UHFFFAOYSA-N -1 0 387.417 3.569 20 5 GHBDRM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000439042104 858139005 /nfs/dbraw/zinc/13/90/05/858139005.db2.gz SQWREBPOZNKRLR-UHFFFAOYSA-N -1 0 394.334 3.806 20 5 GHBDRM C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592878040 858344261 /nfs/dbraw/zinc/34/42/61/858344261.db2.gz CTBFSWJEKWVZNF-QGHHPUGFSA-N -1 0 394.786 3.695 20 5 GHBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc2sccc2c1 ZINC000761105307 858467657 /nfs/dbraw/zinc/46/76/57/858467657.db2.gz NLAIIHYULPOHBT-UHFFFAOYSA-N -1 0 396.833 3.582 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000543165547 858721049 /nfs/dbraw/zinc/72/10/49/858721049.db2.gz GTLIGCKPLQOUSD-NSHDSACASA-N -1 0 392.433 3.591 20 5 GHBDRM O=C([O-])[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1c1ccccc1 ZINC000595980611 858737462 /nfs/dbraw/zinc/73/74/62/858737462.db2.gz WNZVEPQPMJADIT-UONOGXRCSA-N -1 0 378.331 3.501 20 5 GHBDRM CCOC(=O)/C(=C/c1ccc([O-])c([N+](=O)[O-])c1)c1nccn1Cc1ccccc1 ZINC000060036852 858830657 /nfs/dbraw/zinc/83/06/57/858830657.db2.gz ASYBDAUGZXVLFZ-SFQUDFHCSA-N -1 0 393.399 3.649 20 5 GHBDRM COc1ccc(C[C@@H](C)Nc2c(C)c(=O)[n-]n2-c2ccccc2)c([N+](=O)[O-])c1 ZINC001170326804 881365045 /nfs/dbraw/zinc/36/50/45/881365045.db2.gz NNURTHHRGPWXIL-CYBMUJFWSA-N -1 0 382.420 3.846 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(C(F)F)c2Cl)ccc1[O-] ZINC000543648284 859202614 /nfs/dbraw/zinc/20/26/14/859202614.db2.gz JMMURVTVUJSVAI-UHFFFAOYSA-N -1 0 378.740 3.692 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1ccc(OCC(F)(F)F)c(F)c1 ZINC000543657410 859250952 /nfs/dbraw/zinc/25/09/52/859250952.db2.gz GWJHVHQINUMONX-IWQZZHSRSA-N -1 0 386.257 3.939 20 5 GHBDRM Cc1ccc(-c2cncc(F)c2)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000509389972 859277293 /nfs/dbraw/zinc/27/72/93/859277293.db2.gz WBNIGLXECXTXLB-UHFFFAOYSA-N -1 0 387.392 3.905 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000611294700 859680767 /nfs/dbraw/zinc/68/07/67/859680767.db2.gz RBAIUDOTGFCDKV-LBPRGKRZSA-N -1 0 398.444 3.765 20 5 GHBDRM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cc2cccc(F)c2o1 ZINC000474387416 859977590 /nfs/dbraw/zinc/97/75/90/859977590.db2.gz HJGUWFLZICHMFX-SECBINFHSA-N -1 0 382.344 3.659 20 5 GHBDRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000474445066 860114597 /nfs/dbraw/zinc/11/45/97/860114597.db2.gz KGWJTALLJROFOW-UHFFFAOYSA-N -1 0 379.775 3.945 20 5 GHBDRM CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000555315578 860461195 /nfs/dbraw/zinc/46/11/95/860461195.db2.gz LHEJVUFZZZBSJB-DLBZAZTESA-N -1 0 383.231 3.697 20 5 GHBDRM COc1cccc(N=c2[n-]nc(SCCc3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000603722237 861080857 /nfs/dbraw/zinc/08/08/57/861080857.db2.gz ZTWSXNVMPFRSBJ-UHFFFAOYSA-N -1 0 388.474 3.955 20 5 GHBDRM CCc1nc2c(s1)[C@H](N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CCC2 ZINC000593740634 861151180 /nfs/dbraw/zinc/15/11/80/861151180.db2.gz IRMKYNJKILKQOK-OAHLLOKOSA-N -1 0 375.450 3.821 20 5 GHBDRM COc1ccc([C@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Br ZINC000159918661 863168100 /nfs/dbraw/zinc/16/81/00/863168100.db2.gz HKGUYHVWFVKAQB-VIFPVBQESA-N -1 0 395.209 3.563 20 5 GHBDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C(C)C ZINC000480251785 864362959 /nfs/dbraw/zinc/36/29/59/864362959.db2.gz UGWSKIBPCJCHPQ-UHFFFAOYSA-N -1 0 380.470 3.824 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000736419991 865202310 /nfs/dbraw/zinc/20/23/10/865202310.db2.gz ABLKZNCXEPHYML-UHFFFAOYSA-N -1 0 398.824 3.672 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)n(-c2ccccc2C)n1 ZINC000608927080 865833119 /nfs/dbraw/zinc/83/31/19/865833119.db2.gz DYOMOIUKAKAWJQ-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC000183130358 866242996 /nfs/dbraw/zinc/24/29/96/866242996.db2.gz JSUIRYNNKXDFAH-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM CCN(CC)C(=O)c1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000543692248 866303455 /nfs/dbraw/zinc/30/34/55/866303455.db2.gz YDPVCRKVGBIKAC-UHFFFAOYSA-N -1 0 391.811 3.688 20 5 GHBDRM Cc1c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnc(Cl)c1Br ZINC000760115834 866343787 /nfs/dbraw/zinc/34/37/87/866343787.db2.gz YTVLQTLWILGEKB-UHFFFAOYSA-N -1 0 386.589 3.672 20 5 GHBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ncc(-c2ccccc2)s1 ZINC000183380235 866656677 /nfs/dbraw/zinc/65/66/77/866656677.db2.gz IZQGXMQMZAXJBQ-UHFFFAOYSA-N -1 0 375.431 3.660 20 5 GHBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1scnc1-c1ccccc1 ZINC000183391953 866680060 /nfs/dbraw/zinc/68/00/60/866680060.db2.gz HBLIFJSVQLRFHA-UHFFFAOYSA-N -1 0 375.431 3.660 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1[N+](=O)[O-] ZINC000742028628 867017383 /nfs/dbraw/zinc/01/73/83/867017383.db2.gz XSYWKEAUHOCDOY-UHFFFAOYSA-N -1 0 382.413 3.768 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000609068313 867459179 /nfs/dbraw/zinc/45/91/79/867459179.db2.gz GTYRQHRWPVQHIW-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM Cc1cc(CSc2ncccc2C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])no1 ZINC000534802737 867538519 /nfs/dbraw/zinc/53/85/19/867538519.db2.gz BVDAHAPIJDMXID-UHFFFAOYSA-N -1 0 386.389 3.536 20 5 GHBDRM CC(C)NC(=O)Nc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)cc1 ZINC000445216689 867999722 /nfs/dbraw/zinc/99/97/22/867999722.db2.gz VGONHFGRWSSOQZ-UHFFFAOYSA-N -1 0 383.364 3.547 20 5 GHBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(Cl)c2cccnc12 ZINC000535033005 868003096 /nfs/dbraw/zinc/00/30/96/868003096.db2.gz STFPODDTLVZPSZ-UHFFFAOYSA-N -1 0 391.836 3.781 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000535067355 868090701 /nfs/dbraw/zinc/09/07/01/868090701.db2.gz ORQJESFTYKZIQG-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM O=C(NCc1cccc(OCc2ccccc2)c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000554004184 868587272 /nfs/dbraw/zinc/58/72/72/868587272.db2.gz IVUUEHNYTYFGLP-UHFFFAOYSA-N -1 0 378.384 3.809 20 5 GHBDRM COc1ccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])cc1OCc1cccnc1 ZINC000539406835 869069705 /nfs/dbraw/zinc/06/97/05/869069705.db2.gz AZGZLEMKSJJTPU-UHFFFAOYSA-N -1 0 395.371 3.535 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ncc(-c2ccccc2)s1 ZINC000121624221 869252988 /nfs/dbraw/zinc/25/29/88/869252988.db2.gz LFIDJLHQPSRDDT-UHFFFAOYSA-N -1 0 391.430 3.528 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc2n[nH]cc21 ZINC000766330243 869507729 /nfs/dbraw/zinc/50/77/29/869507729.db2.gz UTVQWMPFKDUBTO-UHFFFAOYSA-N -1 0 380.813 3.542 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cnn1CC(C)C ZINC000766331699 869524048 /nfs/dbraw/zinc/52/40/48/869524048.db2.gz KZROEIKUXGVVAW-UHFFFAOYSA-N -1 0 386.861 3.518 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000524853532 869678039 /nfs/dbraw/zinc/67/80/39/869678039.db2.gz SBGVDUSWADXCBE-UHFFFAOYSA-N -1 0 382.825 3.838 20 5 GHBDRM COc1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1Br ZINC000195406093 882347514 /nfs/dbraw/zinc/34/75/14/882347514.db2.gz OZNUMYHRMOGBRZ-DUXPYHPUSA-N -1 0 379.166 3.630 20 5 GHBDRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)n[nH]2)o1 ZINC000446627132 870111508 /nfs/dbraw/zinc/11/15/08/870111508.db2.gz WTVQXPSJCOEQET-UHFFFAOYSA-N -1 0 396.812 3.649 20 5 GHBDRM CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])O[C@@H](C)C2 ZINC000539972186 870136339 /nfs/dbraw/zinc/13/63/39/870136339.db2.gz YPDRHGZWCCYAMQ-HZUKXOBISA-N -1 0 398.415 3.765 20 5 GHBDRM O=[N+]([O-])c1ccc(Nc2ccccc2)c([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000525367925 870515568 /nfs/dbraw/zinc/51/55/68/870515568.db2.gz HEPWHCIUFMHWIO-MRXNPFEDSA-N -1 0 391.449 3.649 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C1(c2ccccc2)CC1 ZINC000462162432 871716477 /nfs/dbraw/zinc/71/64/77/871716477.db2.gz GJHMAFPKRBMSIM-UHFFFAOYSA-N -1 0 387.244 3.869 20 5 GHBDRM Cc1ccc2[nH]c([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)nc2c1 ZINC000794068809 882553718 /nfs/dbraw/zinc/55/37/18/882553718.db2.gz FGKKRJJPRZOBDK-UHFFFAOYSA-N -1 0 380.813 3.542 20 5 GHBDRM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000540695658 871964404 /nfs/dbraw/zinc/96/44/04/871964404.db2.gz AQCXXMJDJSMDOU-UHFFFAOYSA-N -1 0 390.339 3.813 20 5 GHBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)ccc1Cl ZINC000766892173 872061942 /nfs/dbraw/zinc/06/19/42/872061942.db2.gz NNAUFUHFFYVSSG-UHFFFAOYSA-N -1 0 382.612 3.751 20 5 GHBDRM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1c([O-])cc(F)cc1F ZINC000618872526 872100693 /nfs/dbraw/zinc/10/06/93/872100693.db2.gz JCYHJGKJZSADQP-UHFFFAOYSA-N -1 0 376.237 3.527 20 5 GHBDRM O=c1nc(Cc2ccc([N+](=O)[O-])cn2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000540930103 872521294 /nfs/dbraw/zinc/52/12/94/872521294.db2.gz YXJASAFZRQGPCS-UHFFFAOYSA-N -1 0 382.376 3.685 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(OC2CCCC2)c1 ZINC000619466841 872662660 /nfs/dbraw/zinc/66/26/60/872662660.db2.gz XLCDXYZPAOJJLE-UHFFFAOYSA-N -1 0 392.433 3.726 20 5 GHBDRM CN(c1ccccc1)c1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000619864662 873109924 /nfs/dbraw/zinc/10/99/24/873109924.db2.gz SADVKWDIPYJQGH-CSKARUKUSA-N -1 0 392.371 3.727 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000768618594 873411799 /nfs/dbraw/zinc/41/17/99/873411799.db2.gz BPUHKWPBCQNCJK-ZDUSSCGKSA-N -1 0 380.322 3.949 20 5 GHBDRM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)nc1 ZINC000768883205 873645965 /nfs/dbraw/zinc/64/59/65/873645965.db2.gz XJJLKSBKJCBVRG-UHFFFAOYSA-N -1 0 391.430 3.953 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)cs1 ZINC000768861200 873663813 /nfs/dbraw/zinc/66/38/13/873663813.db2.gz JQHMUCMKYOAYQN-UHFFFAOYSA-N -1 0 388.517 3.936 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)cs1 ZINC000768865465 873667880 /nfs/dbraw/zinc/66/78/80/873667880.db2.gz JXNYCJOMVBMXRX-UHFFFAOYSA-N -1 0 391.430 3.990 20 5 GHBDRM O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000769094955 873785884 /nfs/dbraw/zinc/78/58/84/873785884.db2.gz MZBPGWDYZJYPES-UHFFFAOYSA-N -1 0 386.751 3.788 20 5 GHBDRM CC(C)(C)OC(=O)N1CCc2c1cccc2NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000769184772 873871879 /nfs/dbraw/zinc/87/18/79/873871879.db2.gz AINRHQLYIPFPDB-UHFFFAOYSA-N -1 0 399.403 3.850 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2O)c1 ZINC000798247462 874286407 /nfs/dbraw/zinc/28/64/07/874286407.db2.gz AOUMSPPRCPZRQX-UHFFFAOYSA-N -1 0 381.168 3.547 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])c1 ZINC000541807708 874324972 /nfs/dbraw/zinc/32/49/72/874324972.db2.gz TYMFVGVWIFAJCX-UHFFFAOYSA-N -1 0 377.205 3.716 20 5 GHBDRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000449003727 874342084 /nfs/dbraw/zinc/34/20/84/874342084.db2.gz PQXSMMPEJIIVAQ-ZDUSSCGKSA-N -1 0 399.241 3.511 20 5 GHBDRM Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000476690926 882879845 /nfs/dbraw/zinc/87/98/45/882879845.db2.gz OPDMPVWDHZZLTJ-UHFFFAOYSA-N -1 0 382.338 3.856 20 5 GHBDRM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(F)cc(Cl)c1[O-] ZINC000771504773 875301083 /nfs/dbraw/zinc/30/10/83/875301083.db2.gz MPTNSBKLAUJFQE-UHFFFAOYSA-N -1 0 383.719 3.572 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000491600123 875834855 /nfs/dbraw/zinc/83/48/55/875834855.db2.gz YYGKJZLFAPYOSI-UHFFFAOYSA-N -1 0 395.195 3.850 20 5 GHBDRM O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000772317389 875864921 /nfs/dbraw/zinc/86/49/21/875864921.db2.gz QXHAZIVYNQADMR-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)cc1 ZINC000460828477 878676099 /nfs/dbraw/zinc/67/60/99/878676099.db2.gz FFAGPBMRADGOQY-UHFFFAOYSA-N -1 0 380.397 3.856 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000161103945 878787975 /nfs/dbraw/zinc/78/79/75/878787975.db2.gz DAARHHLJIZTTII-UHFFFAOYSA-N -1 0 396.730 3.790 20 5 GHBDRM Cc1c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)c2ccccc2n1C ZINC000789737420 879252237 /nfs/dbraw/zinc/25/22/37/879252237.db2.gz LXVDFQVJRLKWKT-UHFFFAOYSA-N -1 0 379.825 3.849 20 5 GHBDRM O=C(Cc1csc(-c2cccnc2)n1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180784297 879355661 /nfs/dbraw/zinc/35/56/61/879355661.db2.gz IUFIUEZUXSSLHG-UHFFFAOYSA-N -1 0 390.808 3.654 20 5 GHBDRM O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3cccc4ccccc43)ccc2c1 ZINC000538451601 879517029 /nfs/dbraw/zinc/51/70/29/879517029.db2.gz JZZOPNIYZMULBY-UHFFFAOYSA-N -1 0 379.397 3.519 20 5 GHBDRM Cc1nn(C)c2cc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)ccc12 ZINC000461341672 879642952 /nfs/dbraw/zinc/64/29/52/879642952.db2.gz GJBPVUUQVHVAMV-UHFFFAOYSA-N -1 0 394.840 3.553 20 5 GHBDRM O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000791343237 880343961 /nfs/dbraw/zinc/34/39/61/880343961.db2.gz FXRMXXMECDPREH-UHFFFAOYSA-N -1 0 393.852 3.759 20 5 GHBDRM C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc2[N+](=O)[O-])C1 ZINC000531995427 880892268 /nfs/dbraw/zinc/89/22/68/880892268.db2.gz CTQHNNKVNIMBLL-ZDUSSCGKSA-N -1 0 383.404 3.782 20 5 GHBDRM O=c1nc(CCNc2ccccc2[N+](=O)[O-])[n-]c2c(-c3ccccc3)nsc21 ZINC000548028141 884216001 /nfs/dbraw/zinc/21/60/01/884216001.db2.gz NLGVHPFBRQNSJY-UHFFFAOYSA-N -1 0 393.428 3.609 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)s2)c1 ZINC000795785524 912817712 /nfs/dbraw/zinc/81/77/12/912817712.db2.gz DBMKBFPGGGFERQ-UHFFFAOYSA-N -1 0 385.225 3.581 20 5 GHBDRM Cc1ccc(-c2cccnc2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000475827220 884514821 /nfs/dbraw/zinc/51/48/21/884514821.db2.gz 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CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])cc1 ZINC000862830966 886680824 /nfs/dbraw/zinc/68/08/24/886680824.db2.gz ARRLYLKHORYYGO-UHFFFAOYSA-N -1 0 387.392 3.924 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)c(F)c1 ZINC000316092929 887102553 /nfs/dbraw/zinc/10/25/53/887102553.db2.gz BMUQLESDJBWGDW-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM C[C@](CC(=O)[O-])(NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC000864197595 887620939 /nfs/dbraw/zinc/62/09/39/887620939.db2.gz HBVLJQISYLEIEU-OAQYLSRUSA-N -1 0 397.431 3.580 20 5 GHBDRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000864227193 887645880 /nfs/dbraw/zinc/64/58/80/887645880.db2.gz AVZDESNKOYOCGS-DYVFJYSZSA-N -1 0 388.445 3.716 20 5 GHBDRM O=C(NCc1ccccc1COCc1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000532679275 887653856 /nfs/dbraw/zinc/65/38/56/887653856.db2.gz DRFNJZGVQRUSHG-UHFFFAOYSA-N -1 0 392.411 3.947 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] ZINC000193930673 887859663 /nfs/dbraw/zinc/85/96/63/887859663.db2.gz ZYNJNQRWQBDKOX-UHFFFAOYSA-N -1 0 395.746 3.771 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c(Cl)cc1Cl ZINC000809846287 887862524 /nfs/dbraw/zinc/86/25/24/887862524.db2.gz FRWVUTMLUYCAGK-UHFFFAOYSA-N -1 0 389.207 3.758 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cnn1C1CCCC1 ZINC000194221578 888121427 /nfs/dbraw/zinc/12/14/27/888121427.db2.gz LYUNIHPMLINXRY-UHFFFAOYSA-N -1 0 378.454 3.632 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c([N-][C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)n1 ZINC001170611990 888738787 /nfs/dbraw/zinc/73/87/87/888738787.db2.gz NJAINQLNIYRZIM-HXUWFJFHSA-N -1 0 387.399 3.526 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000811723617 889920809 /nfs/dbraw/zinc/92/08/09/889920809.db2.gz SWFYEKHJVUBZLT-UHFFFAOYSA-N -1 0 396.293 3.654 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000811721972 889921001 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Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1 ZINC000570573197 899399740 /nfs/dbraw/zinc/39/97/40/899399740.db2.gz MLCDNVKMUUZBSV-UKRRQHHQSA-N -1 0 377.784 3.592 20 5 GHBDRM CN(C)C(=O)C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])c2ccc(Cl)cc21 ZINC000570829873 899623562 /nfs/dbraw/zinc/62/35/62/899623562.db2.gz RIYDVLGUEUCPBA-LBPRGKRZSA-N -1 0 389.839 3.536 20 5 GHBDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000571547067 899908329 /nfs/dbraw/zinc/90/83/29/899908329.db2.gz BRHGURHEOXDOGB-MRXNPFEDSA-N -1 0 375.356 3.804 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3)on2)c1C ZINC000575312026 901185485 /nfs/dbraw/zinc/18/54/85/901185485.db2.gz ZHXJLQYPWWRPRB-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM Cc1ccc(OC2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)cc1 ZINC000575317859 901185742 /nfs/dbraw/zinc/18/57/42/901185742.db2.gz DKPBIUNDARZXNU-UHFFFAOYSA-N -1 0 390.823 3.946 20 5 GHBDRM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1 ZINC000575336383 901201165 /nfs/dbraw/zinc/20/11/65/901201165.db2.gz GBCXABZTUQHTIV-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=C([O-])c1ccnc(N2CCC[C@@H](COc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000576111351 901689275 /nfs/dbraw/zinc/68/92/75/901689275.db2.gz VPYBSUWBTXQDLA-GFCCVEGCSA-N -1 0 391.811 3.637 20 5 GHBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000799127875 901996353 /nfs/dbraw/zinc/99/63/53/901996353.db2.gz YZGHFCLNEFWQIJ-UHFFFAOYSA-N -1 0 383.159 3.981 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cccc(C2CCOCC2)c1 ZINC000600662940 902795439 /nfs/dbraw/zinc/79/54/39/902795439.db2.gz YAYWYHKYAOKGEX-UHFFFAOYSA-N -1 0 396.852 3.943 20 5 GHBDRM C[C@](NC(=O)CCCCCc1cccs1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600873050 903032884 /nfs/dbraw/zinc/03/28/84/903032884.db2.gz FVHXTCLNGPPXIS-LJQANCHMSA-N -1 0 390.461 3.875 20 5 GHBDRM C[C@](NC(=O)C[C@H]1CCCc2ccccc21)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600875826 903034612 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Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c1C ZINC000303948255 915322229 /nfs/dbraw/zinc/32/22/29/915322229.db2.gz ZMSWCPALAZWLIZ-UHFFFAOYSA-N -1 0 376.434 3.801 20 5 GHBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000292668151 915788293 /nfs/dbraw/zinc/78/82/93/915788293.db2.gz LWZWFPLVMVMRTI-UHFFFAOYSA-N -1 0 385.351 3.601 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc2ccccc21 ZINC001189728462 916886788 /nfs/dbraw/zinc/88/67/88/916886788.db2.gz WWOZDVGPIYZUJO-DOTOQJQBSA-N -1 0 386.404 3.722 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)nc1 ZINC000117334666 919538120 /nfs/dbraw/zinc/53/81/20/919538120.db2.gz VSPRBOYZEUQDNE-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000119103120 919604208 /nfs/dbraw/zinc/60/42/08/919604208.db2.gz NVGMVVSRBLUMTD-UHFFFAOYSA-N -1 0 391.430 3.953 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCCC3)c([N+](=O)[O-])c1 ZINC000409546832 924745079 /nfs/dbraw/zinc/74/50/79/924745079.db2.gz HFPAXSIWQLUIBP-UHFFFAOYSA-N -1 0 397.478 3.520 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)nn1C(C)(C)C ZINC000409582120 924782482 /nfs/dbraw/zinc/78/24/82/924782482.db2.gz OMRIFQNPVJKEII-UHFFFAOYSA-N -1 0 394.497 3.953 20 5 GHBDRM Nc1c(Cl)cc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1Cl ZINC000751267083 928101543 /nfs/dbraw/zinc/10/15/43/928101543.db2.gz BJLLQPNXBBDZHN-UHFFFAOYSA-N -1 0 396.639 3.938 20 5 GHBDRM COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000466954666 928538782 /nfs/dbraw/zinc/53/87/82/928538782.db2.gz KNNFQMMNSDDHFL-UHFFFAOYSA-N -1 0 386.451 3.561 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccnn2C2CCCC2)cc1[N+](=O)[O-] ZINC000752191796 928671101 /nfs/dbraw/zinc/67/11/01/928671101.db2.gz QZBKNMUQHYIBMF-UHFFFAOYSA-N -1 0 384.845 3.669 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000544403738 929136591 /nfs/dbraw/zinc/13/65/91/929136591.db2.gz 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Cc1nc2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3F)ccc2s1 ZINC000781119756 930706606 /nfs/dbraw/zinc/70/66/06/930706606.db2.gz AAXHTZFIZDDZQX-UHFFFAOYSA-N -1 0 381.410 3.761 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1Br ZINC000782264452 931147196 /nfs/dbraw/zinc/14/71/96/931147196.db2.gz XCAOIJSQAHRMSU-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)c1 ZINC000783805162 931660302 /nfs/dbraw/zinc/66/03/02/931660302.db2.gz FAEQXMUNVUYFOD-UHFFFAOYSA-N -1 0 398.824 3.519 20 5 GHBDRM COC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1C ZINC000797817069 932415242 /nfs/dbraw/zinc/41/52/42/932415242.db2.gz MHJPMEDTKUVFTH-UHFFFAOYSA-N -1 0 399.812 3.536 20 5 GHBDRM Cc1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1N1CCCC1 ZINC000798149899 932546257 /nfs/dbraw/zinc/54/62/57/932546257.db2.gz WWXMCADEWVLUFW-UHFFFAOYSA-N -1 0 395.868 3.958 20 5 GHBDRM O=C(Nc1cccc2[nH]ccc21)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798167946 932550754 /nfs/dbraw/zinc/55/07/54/932550754.db2.gz UWXXFMMRHOMVMD-UHFFFAOYSA-N -1 0 397.778 3.873 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c1 ZINC000798247344 932575941 /nfs/dbraw/zinc/57/59/41/932575941.db2.gz UDKOGFKKOSGTAN-UHFFFAOYSA-N -1 0 396.730 3.790 20 5 GHBDRM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc1Cl ZINC000798248326 932576013 /nfs/dbraw/zinc/57/60/13/932576013.db2.gz WJPZNRIICYAHBM-UHFFFAOYSA-N -1 0 397.771 3.843 20 5 GHBDRM O=C([N-]CC1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)C(F)(F)F ZINC000798403368 932633692 /nfs/dbraw/zinc/63/36/92/932633692.db2.gz XJAPTLNINQGPLX-UHFFFAOYSA-N -1 0 399.291 3.509 20 5 GHBDRM COc1ccc(C[C@@H](C)N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC001118276064 934125766 /nfs/dbraw/zinc/12/57/66/934125766.db2.gz ISIMYFANCVAJQI-LLVKDONJSA-N -1 0 378.812 3.666 20 5 GHBDRM CC(C)c1ncsc1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000830172983 935908938 /nfs/dbraw/zinc/90/89/38/935908938.db2.gz NSJFGAHMQDMFIM-UHFFFAOYSA-N -1 0 379.822 3.768 20 5 GHBDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001589604928 949237106 /nfs/dbraw/zinc/23/71/06/949237106.db2.gz YJKLNHXHVFWFHZ-OAHLLOKOSA-N -1 0 375.208 3.619 20 5 GHBDRM Cc1cc(NC(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)ccc1C(=O)[O-] ZINC001594323456 958142969 /nfs/dbraw/zinc/14/29/69/958142969.db2.gz MAHMTOCEYDVVEL-UHFFFAOYSA-N -1 0 381.348 3.636 20 5 GHBDRM Cc1cc(NCc2cccc(OCC(F)(F)F)n2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001326421734 961090239 /nfs/dbraw/zinc/09/02/39/961090239.db2.gz UKTLXFGCDFRENX-UHFFFAOYSA-N -1 0 385.298 3.550 20 5 GHBDRM CC(C)C[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)CC(=O)[O-] ZINC001588894640 962229209 /nfs/dbraw/zinc/22/92/09/962229209.db2.gz QQSHVJMWDRIIGY-AWEZNQCLSA-N -1 0 380.444 3.548 20 5 GHBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001605066329 972693047 /nfs/dbraw/zinc/69/30/47/972693047.db2.gz FAJNIZLFMZUNAB-UHFFFAOYSA-N -1 0 394.177 3.721 20 5 GHBDRM Cc1c(NC(=O)Cc2ccccc2C(=O)[O-])cc(Br)cc1[N+](=O)[O-] ZINC001605084661 972727447 /nfs/dbraw/zinc/72/74/47/972727447.db2.gz AQIIVIYNWBALHU-UHFFFAOYSA-N -1 0 393.193 3.545 20 5 GHBDRM CC(C)c1sc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)nc1C(=O)[O-] ZINC001592107907 976889797 /nfs/dbraw/zinc/88/97/97/976889797.db2.gz IWIZGWBFXAQTPP-UHFFFAOYSA-N -1 0 377.422 3.789 20 5 GHBDRM CC(C)n1nc(-c2ccco2)cc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001592149940 977021236 /nfs/dbraw/zinc/02/12/36/977021236.db2.gz RPSLPDNWHRZFMG-UHFFFAOYSA-N -1 0 384.348 3.583 20 5 GHBDRM C[C@H](CNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC001592675278 979088598 /nfs/dbraw/zinc/08/85/98/979088598.db2.gz PRXYMWQXYIAWBO-GFCCVEGCSA-N -1 0 394.387 3.766 20 5 GHBDRM C[C@@H](CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001592675328 979088672 /nfs/dbraw/zinc/08/86/72/979088672.db2.gz QOTDGOJMZWWNJJ-NSHDSACASA-N -1 0 382.376 3.700 20 5 GHBDRM O=C([O-])c1cc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)ccc1Cl ZINC000833144046 979094229 /nfs/dbraw/zinc/09/42/29/979094229.db2.gz CTSBDCYYXPVBQW-UHFFFAOYSA-N -1 0 384.175 3.922 20 5 GHBDRM CC[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])Oc1cccc(C(F)(F)F)c1 ZINC001595172836 979746679 /nfs/dbraw/zinc/74/66/79/979746679.db2.gz QRBDHCHEOBZLPM-LLVKDONJSA-N -1 0 399.325 3.976 20 5 GHBDRM CC[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])Oc1ccccc1C(F)(F)F ZINC001595176001 979762578 /nfs/dbraw/zinc/76/25/78/979762578.db2.gz KSIXQPLPCJGATM-NSHDSACASA-N -1 0 399.325 3.976 20 5 GHBDRM C[C@@](NC(=O)CCc1cccc2ccccc21)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593020220 980279748 /nfs/dbraw/zinc/27/97/48/980279748.db2.gz YODPKYVCWNUZAD-QFIPXVFZSA-N -1 0 392.411 3.797 20 5 GHBDRM C[C@](NC(=O)CCc1cccc2ccccc21)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593020219 980279771 /nfs/dbraw/zinc/27/97/71/980279771.db2.gz YODPKYVCWNUZAD-JOCHJYFZSA-N -1 0 392.411 3.797 20 5 GHBDRM C/C(=C\C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001588933495 984612593 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GHBDRM CC(C)(C)OC(=O)NCCCCCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001590185028 989537543 /nfs/dbraw/zinc/53/75/43/989537543.db2.gz KJKURNBQQYXKLA-UHFFFAOYSA-N -1 0 381.429 3.790 20 5 GHBDRM CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001597943343 989922660 /nfs/dbraw/zinc/92/26/60/989922660.db2.gz UXRLNDIMHLECFC-QGZVFWFLSA-N -1 0 382.420 3.628 20 5 GHBDRM CC(C)(C)c1nc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])sc1C(=O)[O-] ZINC001590544832 990176834 /nfs/dbraw/zinc/17/68/34/990176834.db2.gz JTXPYXLTNRIJLP-UHFFFAOYSA-N -1 0 395.412 3.757 20 5 GHBDRM CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598088382 990426184 /nfs/dbraw/zinc/42/61/84/990426184.db2.gz PCWQEGZNMADJCX-GFCCVEGCSA-N -1 0 389.216 3.861 20 5 GHBDRM CC(C)C[C@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-] ZINC001591468650 992582796 /nfs/dbraw/zinc/58/27/96/992582796.db2.gz POXGARUXYSYXRU-KRWDZBQOSA-N -1 0 388.445 3.975 20 5 GHBDRM 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ZINC001227360523 1032388601 /nfs/dbraw/zinc/38/86/01/1032388601.db2.gz WFHVCZZFTIGWEI-SECBINFHSA-N -1 0 396.193 3.990 20 5 GHBDRM COc1ccc(COc2ncc([N+](=O)[O-])c3nc[nH]c32)cc1OC1CCCC1 ZINC001227692804 1032518297 /nfs/dbraw/zinc/51/82/97/1032518297.db2.gz DPQLFJSOLTUUKM-UHFFFAOYSA-N -1 0 384.392 3.775 20 5 GHBDRM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000563937580 1018985907 /nfs/dbraw/zinc/98/59/07/1018985907.db2.gz IEZUBYIRDBVPKB-UHFFFAOYSA-N -1 0 384.841 3.812 20 5 GHBDRM COc1ccc(-c2ccc(C)c(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)c2)cn1 ZINC000576592622 1020040760 /nfs/dbraw/zinc/04/07/60/1020040760.db2.gz PEYDGTSKSSJYEQ-UHFFFAOYSA-N -1 0 379.372 3.932 20 5 GHBDRM O=C([N-]c1nnc(-c2ccco2)s1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000577423751 1020183401 /nfs/dbraw/zinc/18/34/01/1020183401.db2.gz PUOJXNCJPBGIFI-UHFFFAOYSA-N -1 0 384.295 3.977 20 5 GHBDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H](c2ccccc2)c2ccccn2)cc1[O-] ZINC001228814390 1033114299 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CCCCN([C@H](C)c1ccc(C)o1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001208586448 1034943664 /nfs/dbraw/zinc/94/36/64/1034943664.db2.gz GKSBZYYXJPOYLL-CYBMUJFWSA-N -1 0 382.438 3.754 20 5 GHBDRM CCN(CC)c1ccc(-c2noc(C([O-])=Cc3ccccc3[N+](=O)[O-])n2)cc1 ZINC001248978097 1036260072 /nfs/dbraw/zinc/26/00/72/1036260072.db2.gz HGFFPODTEAGKDS-UHFFFAOYSA-N -1 0 380.404 3.916 20 5 GHBDRM O=c1cc(-c2nnc(Cc3ccccc3Cl)o2)[n-]c2ccc([N+](=O)[O-])cc12 ZINC001254346499 1040180496 /nfs/dbraw/zinc/18/04/96/1040180496.db2.gz RTKRKENKHIDKIE-UHFFFAOYSA-N -1 0 382.763 3.731 20 5 GHBDRM CC(C)=CCc1c([O-])cc2oc3ccc(O)cc3c(=O)c2c1OC[C@H]1COCO1 ZINC001234742319 1040268435 /nfs/dbraw/zinc/26/84/35/1040268435.db2.gz WPXVPNOVIDATIF-CQSZACIVSA-N -1 0 398.411 3.618 20 5 GHBDRM CC(C)=CCc1c([O-])cc2oc3ccc(O)cc3c(=O)c2c1O[C@@H](C)CON ZINC001234744074 1040270361 /nfs/dbraw/zinc/27/03/61/1040270361.db2.gz JVJWJTSDCFLWAT-LBPRGKRZSA-N -1 0 385.416 3.524 20 5 GHBDRM CC(C)(C)c1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)cc1 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O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001546162567 1067291233 /nfs/dbraw/zinc/29/12/33/1067291233.db2.gz OLQOUIFPXVMTEK-NWDGAFQWSA-N -1 0 377.740 3.604 20 5 GHBDRM O=C(NC/C=C\c1ccc(Br)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001468353364 1067699829 /nfs/dbraw/zinc/69/98/29/1067699829.db2.gz NJHTYMJGHFVRQK-UPHRSURJSA-N -1 0 377.194 3.506 20 5 GHBDRM Cc1ccccc1[C@H](CC(C)C)NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001474964970 1074656493 /nfs/dbraw/zinc/65/64/93/1074656493.db2.gz VBJBTYZOEFRXOX-INIZCTEOSA-N -1 0 378.450 3.675 20 5 GHBDRM CC[C@@H](CSc1ccccc1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001475122939 1074746681 /nfs/dbraw/zinc/74/66/81/1074746681.db2.gz VSZVMORZTLLYRD-LBPRGKRZSA-N -1 0 384.454 3.583 20 5 GHBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000738203440 599847762 /nfs/dbraw/zinc/84/77/62/599847762.db2.gz ZAZCQAAUIHRTHW-LBPRGKRZSA-N -1 0 380.447 3.632 20 5 GHBDRM COc1ccc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000737946332 599943466 /nfs/dbraw/zinc/94/34/66/599943466.db2.gz DCOGYHIGCGXUHU-UHFFFAOYSA-N -1 0 387.369 3.873 20 5 GHBDRM Cc1cc(C(=O)[O-])c2sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)nc2n1 ZINC000738346158 600048751 /nfs/dbraw/zinc/04/87/51/600048751.db2.gz MOBPKNSUNSMRFM-UHFFFAOYSA-N -1 0 398.356 3.605 20 5 GHBDRM Cc1cccc(C[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C(=O)[O-])c1 ZINC000486165549 600071064 /nfs/dbraw/zinc/07/10/64/600071064.db2.gz NAPQGJGIZXICLO-OAHLLOKOSA-N -1 0 398.440 3.791 20 5 GHBDRM Cc1ccc([C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C(=O)[O-])cc1 ZINC000486382329 600155273 /nfs/dbraw/zinc/15/52/73/600155273.db2.gz STBCPGWGVFRBEH-OAHLLOKOSA-N -1 0 384.413 3.716 20 5 GHBDRM C[C@@H](c1cccc(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])c1)N1CCOCC1 ZINC000736718258 600161965 /nfs/dbraw/zinc/16/19/65/600161965.db2.gz SBXYHGYLXWPTCK-LYASGUKUSA-N -1 0 397.431 3.829 20 5 GHBDRM C[C@@H](Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])c1cc2ccccc2s1 ZINC000736670671 600167295 /nfs/dbraw/zinc/16/72/95/600167295.db2.gz GPNANAYHCQGEGF-LLVKDONJSA-N -1 0 399.428 3.797 20 5 GHBDRM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736343656 600191812 /nfs/dbraw/zinc/19/18/12/600191812.db2.gz HOCBFKSANJYGCP-UHFFFAOYSA-N -1 0 378.768 3.743 20 5 GHBDRM CSc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)cc1[N+](=O)[O-] ZINC000738199442 600211214 /nfs/dbraw/zinc/21/12/14/600211214.db2.gz KYDZLYQUKODMOK-UHFFFAOYSA-N -1 0 398.343 3.869 20 5 GHBDRM CCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)cc1[N+](=O)[O-] ZINC000737194750 600212911 /nfs/dbraw/zinc/21/29/11/600212911.db2.gz IMPKHKRWXFLMGO-UHFFFAOYSA-N -1 0 396.302 3.545 20 5 GHBDRM O=C([O-])/C=C\c1ccc(NC[C@@](O)(c2ccccc2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000739623475 600237350 /nfs/dbraw/zinc/23/73/50/600237350.db2.gz FVWNKDJBZMUCQV-NBEHIINDSA-N -1 0 396.321 3.555 20 5 GHBDRM O=C([O-])[C@H]1CC12CCN(c1ccc(C(=O)c3ccccc3)cc1[N+](=O)[O-])CC2 ZINC000567985412 600282681 /nfs/dbraw/zinc/28/26/81/600282681.db2.gz WORMAFVMJIXTBX-MRXNPFEDSA-N -1 0 380.400 3.517 20 5 GHBDRM C[C@@H]1COCCN1c1ccc(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000736820323 600365087 /nfs/dbraw/zinc/36/50/87/600365087.db2.gz CDIBYFAZRFTGDQ-YZGHKGICSA-N -1 0 383.404 3.661 20 5 GHBDRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736717183 600441822 /nfs/dbraw/zinc/44/18/22/600441822.db2.gz LSYWSPGKBCUDDN-NSHDSACASA-N -1 0 392.795 3.545 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000738067854 600451931 /nfs/dbraw/zinc/45/19/31/600451931.db2.gz ABCINEZQEDQKBY-UHFFFAOYSA-N -1 0 378.406 3.913 20 5 GHBDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000737873946 600523314 /nfs/dbraw/zinc/52/33/14/600523314.db2.gz UBXLKLXEFRPCNR-WZUFQYTHSA-N -1 0 385.372 3.584 20 5 GHBDRM Cc1sc(C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])cc1[N+](=O)[O-] ZINC000738990421 600601078 /nfs/dbraw/zinc/60/10/78/600601078.db2.gz LTYGNCJAAXXZNU-HNNXBMFYSA-N -1 0 398.440 3.791 20 5 GHBDRM O=C([O-])c1cc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000739415164 600625004 /nfs/dbraw/zinc/62/50/04/600625004.db2.gz FWSYJDGFZSWRRD-UHFFFAOYSA-N -1 0 375.356 3.577 20 5 GHBDRM O=C([O-])[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc2ccccc2c1 ZINC000739408683 600652659 /nfs/dbraw/zinc/65/26/59/600652659.db2.gz PXCDOKBORYYWIM-KRWDZBQOSA-N -1 0 393.399 3.813 20 5 GHBDRM COc1ccc(OCCSc2nc3ccc(C(=O)[O-])cc3o2)c([N+](=O)[O-])c1 ZINC000738049027 600987111 /nfs/dbraw/zinc/98/71/11/600987111.db2.gz MPPZUMSKLGTVES-UHFFFAOYSA-N -1 0 390.373 3.614 20 5 GHBDRM Cc1c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC000832856004 601149852 /nfs/dbraw/zinc/14/98/52/601149852.db2.gz LCSCKNWTYUQINL-UHFFFAOYSA-N -1 0 379.166 3.616 20 5 GHBDRM C[C@H](Sc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000827922316 601188745 /nfs/dbraw/zinc/18/87/45/601188745.db2.gz OZCGQIWBNOBVNP-JTQLQIEISA-N -1 0 379.365 3.656 20 5 GHBDRM O=C([O-])c1ccccc1C(=O)c1ccc(NCCc2cscn2)c([N+](=O)[O-])c1 ZINC000833332497 601445613 /nfs/dbraw/zinc/44/56/13/601445613.db2.gz CMKFGJQBFXSLRD-UHFFFAOYSA-N -1 0 397.412 3.635 20 5 GHBDRM C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(C(=O)[O-])o1 ZINC000827844147 601460079 /nfs/dbraw/zinc/46/00/79/601460079.db2.gz NHUOEBLKOWIEBL-GFCCVEGCSA-N -1 0 388.376 3.794 20 5 GHBDRM Cc1ccc(Sc2ccc(C(=O)N(CC(=O)[O-])C3CC3)cc2[N+](=O)[O-])cc1 ZINC000832957162 601634958 /nfs/dbraw/zinc/63/49/58/601634958.db2.gz AXQRDPFXWSJSCH-UHFFFAOYSA-N -1 0 386.429 3.744 20 5 GHBDRM O=C([O-])c1cc(Br)ccc1OC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000833102583 601672761 /nfs/dbraw/zinc/67/27/61/601672761.db2.gz MUZPKEPUXOFRQH-UHFFFAOYSA-N -1 0 394.177 3.594 20 5 GHBDRM O=C([O-])/C=C\c1ccc(NCc2cc([N+](=O)[O-])ccc2Cl)c([N+](=O)[O-])c1 ZINC000833196750 601681396 /nfs/dbraw/zinc/68/13/96/601681396.db2.gz CXWXALVLSFGVAU-KXFIGUGUSA-N -1 0 377.740 3.866 20 5 GHBDRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000833030750 601706738 /nfs/dbraw/zinc/70/67/38/601706738.db2.gz BOMYYZSIMSMWKA-JTQLQIEISA-N -1 0 381.431 3.887 20 5 GHBDRM Cc1ccc(-c2cncc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2)cc1 ZINC000832907396 601865906 /nfs/dbraw/zinc/86/59/06/601865906.db2.gz UZTXLCLJVZKWOJ-UHFFFAOYSA-N -1 0 377.356 3.916 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1CN[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000832482060 601973197 /nfs/dbraw/zinc/97/31/97/601973197.db2.gz WELPVVIILGBZKE-HNNXBMFYSA-N -1 0 385.203 3.826 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000832482109 602109922 /nfs/dbraw/zinc/10/99/22/602109922.db2.gz YTQZJCVJRHXLQG-UHFFFAOYSA-N -1 0 399.281 3.964 20 5 GHBDRM C[C@H](Oc1ccc(/C=C2/C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc32)cc1)C(=O)[O-] ZINC000827884302 602110221 /nfs/dbraw/zinc/11/02/21/602110221.db2.gz BHHKDVFORFDNFB-CVSYOPMASA-N -1 0 388.763 3.593 20 5 GHBDRM CCC(=O)Nc1cccc(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000828573891 602251342 /nfs/dbraw/zinc/25/13/42/602251342.db2.gz FHBNRAJSNXHDIY-UHFFFAOYSA-N -1 0 377.784 3.907 20 5 GHBDRM C[C@H](Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000827768516 602251654 /nfs/dbraw/zinc/25/16/54/602251654.db2.gz UKHNBRHWTPVFJN-ZETCQYMHSA-N -1 0 376.756 3.701 20 5 GHBDRM CCOc1c(OC)cc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)cc1OC ZINC000566681113 602315464 /nfs/dbraw/zinc/31/54/64/602315464.db2.gz CYABXSMIMCLDPI-UHFFFAOYSA-N -1 0 390.392 3.629 20 5 GHBDRM CN(Cc1ccc(Nc2ncc(Br)cc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000830840051 602318443 /nfs/dbraw/zinc/31/84/43/602318443.db2.gz IRFUPARKVHRPJW-UHFFFAOYSA-N -1 0 381.186 3.606 20 5 GHBDRM CC(C)c1ccc([C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])NC(=O)[O-])cc1 ZINC000738881148 602359061 /nfs/dbraw/zinc/35/90/61/602359061.db2.gz DFFGBQLPGWZLOE-MRXNPFEDSA-N -1 0 389.383 3.596 20 5 GHBDRM CC(C)(C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)c1ccc([N+](=O)[O-])cc1 ZINC000738660831 603001297 /nfs/dbraw/zinc/00/12/97/603001297.db2.gz CKFFOPZGJKCHRL-UHFFFAOYSA-N -1 0 383.404 3.547 20 5 GHBDRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000825422113 603171482 /nfs/dbraw/zinc/17/14/82/603171482.db2.gz FSBAHLFCQQBRTR-LLVKDONJSA-N -1 0 375.406 3.654 20 5 GHBDRM O=C([O-])NCc1ccc2c(c1)CCCN2C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000832715310 604090164 /nfs/dbraw/zinc/09/01/64/604090164.db2.gz SSQUXHCCMJHYQP-UHFFFAOYSA-N -1 0 389.795 3.609 20 5 GHBDRM COC(=O)Nc1ccc(CCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000831210699 604267379 /nfs/dbraw/zinc/26/73/79/604267379.db2.gz SVAQZOUUGWYKLK-UHFFFAOYSA-N -1 0 393.783 3.779 20 5 GHBDRM C[C@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000828489047 604272339 /nfs/dbraw/zinc/27/23/39/604272339.db2.gz YENUBOVGCNOWBW-VFZGTOFNSA-N -1 0 382.825 3.974 20 5 GHBDRM Cc1cc([C@H](C)OC(=O)c2cc(Br)cc([N+](=O)[O-])c2)oc1C(=O)[O-] ZINC000832876948 604435859 /nfs/dbraw/zinc/43/58/59/604435859.db2.gz WANOGCWOUVKMLX-QMMMGPOBSA-N -1 0 398.165 3.875 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H]3CC(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC000832947901 604468814 /nfs/dbraw/zinc/46/88/14/604468814.db2.gz JUOTXURGXJHCBZ-MRXNPFEDSA-N -1 0 383.404 3.599 20 5 GHBDRM CC(C)(C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000826081321 604903240 /nfs/dbraw/zinc/90/32/40/604903240.db2.gz OEDFSNLBWBPALE-UHFFFAOYSA-N -1 0 392.795 3.628 20 5 GHBDRM CC(C)c1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])s1 ZINC000833511247 605005638 /nfs/dbraw/zinc/00/56/38/605005638.db2.gz HOSAMTVTKJZSOB-UHFFFAOYSA-N -1 0 395.462 3.994 20 5 GHBDRM O=C([O-])Nc1ccccc1CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000834272831 606095769 /nfs/dbraw/zinc/09/57/69/606095769.db2.gz RDEUDDJRIFLRNZ-QGZVFWFLSA-N -1 0 387.417 3.501 20 5 GHBDRM CC[C@H](Cc1ccc(Br)cc1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001167701574 837450604 /nfs/dbraw/zinc/45/06/04/837450604.db2.gz AUDFFYYOLGUKEA-CYBMUJFWSA-N -1 0 393.237 3.814 20 5 GHBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(CCc3ccc(O)cc3)CC2)n1 ZINC000581669420 837577390 /nfs/dbraw/zinc/57/73/90/837577390.db2.gz RGRDCTNTOTYPKW-UHFFFAOYSA-N -1 0 385.420 3.551 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CCCCCC2)[nH]n1 ZINC000126868877 835091823 /nfs/dbraw/zinc/09/18/23/835091823.db2.gz FZJACDXOUDWLDW-UHFFFAOYSA-N -1 0 394.453 3.565 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1(c2ccccc2Br)CC1 ZINC000188167378 835404343 /nfs/dbraw/zinc/40/43/43/835404343.db2.gz JCVUHGDBXFVHAZ-UHFFFAOYSA-N -1 0 377.194 3.733 20 5 GHBDRM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000179392855 835670004 /nfs/dbraw/zinc/67/00/04/835670004.db2.gz FPNDSCCYRJYDTQ-UHFFFAOYSA-N -1 0 391.232 3.849 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2F)c(Cl)c1 ZINC000559183828 835752143 /nfs/dbraw/zinc/75/21/43/835752143.db2.gz ILPPSYCQVQCIOG-UHFFFAOYSA-N -1 0 396.787 3.578 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2scnc2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000180165972 836475514 /nfs/dbraw/zinc/47/55/14/836475514.db2.gz OKTCVNLUVVRBAK-UHFFFAOYSA-N -1 0 391.430 3.528 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc(-c3cccs3)ns2)cc1C ZINC000181118360 837844418 /nfs/dbraw/zinc/84/44/18/837844418.db2.gz TUJBQJWUKMXECF-UHFFFAOYSA-N -1 0 396.475 3.592 20 5 GHBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-][C@@H](C1CCCCC1)C(F)(F)F ZINC000544104293 837866893 /nfs/dbraw/zinc/86/68/93/837866893.db2.gz JVTXCEJBQDSWGG-HNNXBMFYSA-N -1 0 394.415 3.568 20 5 GHBDRM O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000473384464 844287386 /nfs/dbraw/zinc/28/73/86/844287386.db2.gz DFXNOGQWEBYVDV-UHFFFAOYSA-N -1 0 394.771 3.864 20 5 GHBDRM CC(C)(C)c1coc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000414449925 838264663 /nfs/dbraw/zinc/26/46/63/838264663.db2.gz DXUZATHGHHYEDC-UHFFFAOYSA-N -1 0 393.343 3.700 20 5 GHBDRM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000610136359 839748383 /nfs/dbraw/zinc/74/83/83/839748383.db2.gz SOBSLTXURBURIN-ZDUSSCGKSA-N -1 0 390.795 3.956 20 5 GHBDRM CCCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cnn1-c1ccc(F)cc1 ZINC000541157495 839782459 /nfs/dbraw/zinc/78/24/59/839782459.db2.gz INABUUXAAYOIMF-UHFFFAOYSA-N -1 0 384.367 3.830 20 5 GHBDRM O=C([O-])CN(Cc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000566715817 840287680 /nfs/dbraw/zinc/28/76/80/840287680.db2.gz CHENEOMRWPMVBK-UHFFFAOYSA-N -1 0 381.747 3.506 20 5 GHBDRM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000432133555 840807730 /nfs/dbraw/zinc/80/77/30/840807730.db2.gz NJADNWUVYLKQFY-JTQLQIEISA-N -1 0 396.321 3.673 20 5 GHBDRM CC[C@H](C)[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000236956376 844584599 /nfs/dbraw/zinc/58/45/99/844584599.db2.gz QEHCDPKLMUNPIV-APPDUMDISA-N -1 0 396.403 3.687 20 5 GHBDRM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000106893206 841137741 /nfs/dbraw/zinc/13/77/41/841137741.db2.gz UMRCWVXBNPPBQY-SECBINFHSA-N -1 0 387.458 3.527 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1cc(C)ccc1C ZINC000161820269 861252115 /nfs/dbraw/zinc/25/21/15/861252115.db2.gz PMBOQEPIZGWFHW-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM CC(C)Cn1ccc2cc(NS(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc21 ZINC000109593490 841979460 /nfs/dbraw/zinc/97/94/60/841979460.db2.gz HYENTKTZVUGBIS-UHFFFAOYSA-N -1 0 389.433 3.712 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1Oc1ccncc1 ZINC000111995609 842150377 /nfs/dbraw/zinc/15/03/77/842150377.db2.gz ZCEDUDFWEJACFS-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000106724348 842211552 /nfs/dbraw/zinc/21/15/52/842211552.db2.gz YWPVDXZJZPIESV-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000131258967 861286025 /nfs/dbraw/zinc/28/60/25/861286025.db2.gz ZFTQQWQGSWEMLB-UHFFFAOYSA-N -1 0 397.840 3.644 20 5 GHBDRM Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2)n1 ZINC000175948093 842448161 /nfs/dbraw/zinc/44/81/61/842448161.db2.gz YDBBGPKAXJTFEM-AWEZNQCLSA-N -1 0 380.404 3.594 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000761350229 861387858 /nfs/dbraw/zinc/38/78/58/861387858.db2.gz NVOSKOSQZBIMPR-UHFFFAOYSA-N -1 0 392.824 3.748 20 5 GHBDRM C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000432587059 843225034 /nfs/dbraw/zinc/22/50/34/843225034.db2.gz HUSUSADGKLDFDC-OKILXGFUSA-N -1 0 397.431 3.671 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000610663138 843450592 /nfs/dbraw/zinc/45/05/92/843450592.db2.gz SCMLKIMUZBSDIT-UHFFFAOYSA-N -1 0 392.824 3.748 20 5 GHBDRM CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000603940751 861423975 /nfs/dbraw/zinc/42/39/75/861423975.db2.gz XMHKBFVYMWIRLZ-KRWDZBQOSA-N -1 0 391.811 3.939 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(Cl)c1-n1cccn1 ZINC000603980349 861498910 /nfs/dbraw/zinc/49/89/10/861498910.db2.gz MDJHPFCKPBXNBD-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM COc1ccc(N(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1F ZINC000436874037 844897406 /nfs/dbraw/zinc/89/74/06/844897406.db2.gz RXNHRSBBKIUICE-UHFFFAOYSA-N -1 0 386.335 3.888 20 5 GHBDRM O=C([O-])CC1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000262467082 845340862 /nfs/dbraw/zinc/34/08/62/845340862.db2.gz ROZQDMWLCUUPES-UHFFFAOYSA-N -1 0 397.431 3.534 20 5 GHBDRM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000548536195 845398920 /nfs/dbraw/zinc/39/89/20/845398920.db2.gz XIZQWLRXTNZMOB-UHFFFAOYSA-N -1 0 392.433 3.597 20 5 GHBDRM O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)c1 ZINC000433801859 845405370 /nfs/dbraw/zinc/40/53/70/845405370.db2.gz MMNJUYGVNDINOU-UHFFFAOYSA-N -1 0 384.822 3.969 20 5 GHBDRM COc1ccc2c(CC(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])coc2c1 ZINC000538648494 845561336 /nfs/dbraw/zinc/56/13/36/845561336.db2.gz MBVYIKNMCNDVOJ-UHFFFAOYSA-N -1 0 376.752 3.890 20 5 GHBDRM CCOc1ccc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)c([N+](=O)[O-])c1 ZINC000548607986 845784071 /nfs/dbraw/zinc/78/40/71/845784071.db2.gz OCPUACUKYCMBQT-UHFFFAOYSA-N -1 0 387.417 3.651 20 5 GHBDRM Cc1cccc([C@@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c1C ZINC000263201510 845994255 /nfs/dbraw/zinc/99/42/55/845994255.db2.gz YPPRJLUZOPTJKY-SUMWQHHRSA-N -1 0 388.445 3.634 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c(Cl)c1 ZINC000604037000 861654686 /nfs/dbraw/zinc/65/46/86/861654686.db2.gz TVFBKPRFZVZRRY-ZDUSSCGKSA-N -1 0 394.758 3.830 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc2ccc(Cl)cc2s1 ZINC000072089921 846402938 /nfs/dbraw/zinc/40/29/38/846402938.db2.gz DZDHYHPGHKZDFV-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)cc1C ZINC000135513154 846502332 /nfs/dbraw/zinc/50/23/32/846502332.db2.gz OQMSSEUUWHQDIT-UHFFFAOYSA-N -1 0 396.375 3.826 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1[O-] ZINC000024101196 848056345 /nfs/dbraw/zinc/05/63/45/848056345.db2.gz NNZOWHRJYRGIEQ-UHFFFAOYSA-N -1 0 396.730 3.773 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1 ZINC000121961053 848524219 /nfs/dbraw/zinc/52/42/19/848524219.db2.gz XIZADPLXIGRHOY-UHFFFAOYSA-N -1 0 377.353 3.553 20 5 GHBDRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000555853841 862006753 /nfs/dbraw/zinc/00/67/53/862006753.db2.gz ZMSAFNXXZQGHBE-CQSZACIVSA-N -1 0 381.747 3.643 20 5 GHBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2c3ccccc3CC23CCOCC3)n1 ZINC000583324990 849626856 /nfs/dbraw/zinc/62/68/56/849626856.db2.gz UBZAWOPCRFLWJO-KRWDZBQOSA-N -1 0 383.404 3.503 20 5 GHBDRM O=[N+]([O-])c1cccc(OCCSc2n[n-]c(=NCc3ccccc3)s2)c1 ZINC000514433968 849848699 /nfs/dbraw/zinc/84/86/99/849848699.db2.gz CYFMSPGWXMSMPT-UHFFFAOYSA-N -1 0 388.474 3.651 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2n[nH]c3c2cccc3Cl)c1C ZINC000434974999 849962759 /nfs/dbraw/zinc/96/27/59/849962759.db2.gz XQOLMSMPUKTCRS-UHFFFAOYSA-N -1 0 380.813 3.542 20 5 GHBDRM CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000509597042 850115974 /nfs/dbraw/zinc/11/59/74/850115974.db2.gz XJGIEGXAHQVGGD-UHFFFAOYSA-N -1 0 394.449 3.892 20 5 GHBDRM COCc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000424078787 850191890 /nfs/dbraw/zinc/19/18/90/850191890.db2.gz FBPSKLZLTXHBEV-UHFFFAOYSA-N -1 0 384.841 3.812 20 5 GHBDRM O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506725796 850627863 /nfs/dbraw/zinc/62/78/63/850627863.db2.gz RIOZHHBRYOFHQO-UHFFFAOYSA-N -1 0 383.335 3.666 20 5 GHBDRM Cc1cc(Br)ccc1CN(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000434345584 850999920 /nfs/dbraw/zinc/99/99/20/850999920.db2.gz AWLSFSPOIAZENT-UHFFFAOYSA-N -1 0 379.210 3.644 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000766043341 862226723 /nfs/dbraw/zinc/22/67/23/862226723.db2.gz RIIUENLTNSQWMW-UHFFFAOYSA-N -1 0 399.812 3.882 20 5 GHBDRM Cc1ccc(F)c(-c2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)n[nH]2)c1 ZINC000436176128 851305097 /nfs/dbraw/zinc/30/50/97/851305097.db2.gz HFBSMKAIJOSPRP-UHFFFAOYSA-N -1 0 390.396 3.542 20 5 GHBDRM Cc1cn2c(nc(C)c2CN(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000519532647 851336896 /nfs/dbraw/zinc/33/68/96/851336896.db2.gz GHWFUPUYSZIGNR-UHFFFAOYSA-N -1 0 394.840 3.552 20 5 GHBDRM COc1ccc(F)cc1-c1csc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000505778518 851358444 /nfs/dbraw/zinc/35/84/44/851358444.db2.gz SUESBAHABMCACC-UHFFFAOYSA-N -1 0 389.364 3.824 20 5 GHBDRM Cc1ccc(CS(=O)(=O)[N-]c2nc3ccc([N+](=O)[O-])cc3s2)cc1F ZINC000430078092 851527539 /nfs/dbraw/zinc/52/75/39/851527539.db2.gz OAXOABNWEGCMDW-UHFFFAOYSA-N -1 0 381.410 3.594 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000505804922 851545030 /nfs/dbraw/zinc/54/50/30/851545030.db2.gz IVTUMZMVZGJJMQ-GFCCVEGCSA-N -1 0 378.787 3.940 20 5 GHBDRM COc1ccc(-c2csc(CNC(=O)c3ccc([N+](=O)[O-])c([O-])c3)c2)cc1 ZINC000473786142 852003670 /nfs/dbraw/zinc/00/36/70/852003670.db2.gz NWVAHMQSVVZUMR-UHFFFAOYSA-N -1 0 384.413 3.968 20 5 GHBDRM CCc1c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cnn1-c1ccccc1Cl ZINC000436595644 852082461 /nfs/dbraw/zinc/08/24/61/852082461.db2.gz NFIUPAMNWHOLDC-UHFFFAOYSA-N -1 0 386.795 3.954 20 5 GHBDRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[C@H]1C ZINC000517602320 852159356 /nfs/dbraw/zinc/15/93/56/852159356.db2.gz HMNJEVYMONRMFQ-OCCSQVGLSA-N -1 0 391.449 3.615 20 5 GHBDRM O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436668525 852167184 /nfs/dbraw/zinc/16/71/84/852167184.db2.gz CSPQUPXGNLEXLY-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM O=C([O-])Cc1ccccc1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426678214 852278209 /nfs/dbraw/zinc/27/82/09/852278209.db2.gz BGRNPVRVFJALAU-UHFFFAOYSA-N -1 0 383.429 3.635 20 5 GHBDRM Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1OCC1CCOCC1 ZINC000436752009 852294453 /nfs/dbraw/zinc/29/44/53/852294453.db2.gz WIJMSBDVCJACIF-UHFFFAOYSA-N -1 0 386.404 3.667 20 5 GHBDRM COC1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCC(c2ccccc2)CC1 ZINC000436774318 852308291 /nfs/dbraw/zinc/30/82/91/852308291.db2.gz VZKUGSHKAIEJOD-UHFFFAOYSA-N -1 0 384.432 3.773 20 5 GHBDRM O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436797846 852355552 /nfs/dbraw/zinc/35/55/52/852355552.db2.gz PRNMVJHHNOASLQ-KRWDZBQOSA-N -1 0 383.791 3.868 20 5 GHBDRM CN(Cc1cc(Br)ccc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436816528 852357774 /nfs/dbraw/zinc/35/77/74/852357774.db2.gz OUFJEVBCAKHALT-UHFFFAOYSA-N -1 0 399.628 3.989 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000436818681 852359802 /nfs/dbraw/zinc/35/98/02/852359802.db2.gz LQOBAHPIUXTFHG-UHFFFAOYSA-N -1 0 396.230 3.570 20 5 GHBDRM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436821357 852390655 /nfs/dbraw/zinc/39/06/55/852390655.db2.gz PAUWDWVGAMWNHF-JTQLQIEISA-N -1 0 380.784 3.620 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C(=O)C(C)(C)C)cc1 ZINC000426002607 852400131 /nfs/dbraw/zinc/40/01/31/852400131.db2.gz GQRHWDYCJOVNMD-UHFFFAOYSA-N -1 0 376.434 3.933 20 5 GHBDRM Cc1cc(Br)cc2c1CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])CC2 ZINC000436890576 852464680 /nfs/dbraw/zinc/46/46/80/852464680.db2.gz UUUVYDVLDAXZMS-UHFFFAOYSA-N -1 0 391.221 3.570 20 5 GHBDRM CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000489621909 852471549 /nfs/dbraw/zinc/47/15/49/852471549.db2.gz KBBJBCYBOXIPQS-KRWDZBQOSA-N -1 0 376.384 3.663 20 5 GHBDRM O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436907716 852473207 /nfs/dbraw/zinc/47/32/07/852473207.db2.gz HAYCKJKFCMTCND-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436959322 852549195 /nfs/dbraw/zinc/54/91/95/852549195.db2.gz MQVUAVAROZAQGT-UHFFFAOYSA-N -1 0 377.356 3.550 20 5 GHBDRM O=C(N[C@@H](COCc1ccccc1)c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436973756 852558755 /nfs/dbraw/zinc/55/87/55/852558755.db2.gz YMTQNTIEQCHRGH-IBGZPJMESA-N -1 0 392.411 3.988 20 5 GHBDRM O=C(Nc1cccc(CSC2CCOCC2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436970061 852573605 /nfs/dbraw/zinc/57/36/05/852573605.db2.gz KNKYSXBISMPECB-UHFFFAOYSA-N -1 0 388.445 3.965 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccnn2[C@H]2CCCc3ccccc32)c1 ZINC000516534076 852694802 /nfs/dbraw/zinc/69/48/02/852694802.db2.gz NJHVQLDAFVJWRQ-SFHVURJKSA-N -1 0 398.444 3.518 20 5 GHBDRM CC[C@@](NC(=O)CCc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507300186 852761264 /nfs/dbraw/zinc/76/12/64/852761264.db2.gz OKADXOPWMXMXSM-IBGZPJMESA-N -1 0 390.823 3.687 20 5 GHBDRM CC[C@](NC(=O)c1ccc([N+](=O)[O-])cc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507308934 852768865 /nfs/dbraw/zinc/76/88/65/852768865.db2.gz IXCPYJBMCVHUOA-GOSISDBHSA-N -1 0 376.796 3.677 20 5 GHBDRM CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000912979269 852943322 /nfs/dbraw/zinc/94/33/22/852943322.db2.gz ALLNXEHKBFOLAC-UHFFFAOYSA-N -1 0 398.824 3.616 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2C)c([N+](=O)[O-])c1 ZINC000509562289 852963838 /nfs/dbraw/zinc/96/38/38/852963838.db2.gz XFZDTJKXTQHCHQ-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000518246673 853106719 /nfs/dbraw/zinc/10/67/19/853106719.db2.gz AKKVUWBPPQBJFY-UHFFFAOYSA-N -1 0 391.430 3.953 20 5 GHBDRM Cc1cc([C@H](NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])ccc1F ZINC000519803628 853498667 /nfs/dbraw/zinc/49/86/67/853498667.db2.gz QQQGFONFCOLPIQ-SJCJKPOMSA-N -1 0 389.383 3.537 20 5 GHBDRM O=C(Nc1ccc2c(c1)N(CC(F)F)CCS2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000586833381 853574695 /nfs/dbraw/zinc/57/46/95/853574695.db2.gz WDIUSTJDOMQZQH-UHFFFAOYSA-N -1 0 395.387 3.730 20 5 GHBDRM CCOc1ccc([N-]S(=O)(=O)c2c(C)ccc3cccnc32)c([N+](=O)[O-])c1 ZINC000481961074 862552937 /nfs/dbraw/zinc/55/29/37/862552937.db2.gz LFHUNRCPVGMEFJ-UHFFFAOYSA-N -1 0 387.417 3.651 20 5 GHBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000473959171 854422230 /nfs/dbraw/zinc/42/22/30/854422230.db2.gz MQYULMVAJBEZES-LLVKDONJSA-N -1 0 392.795 3.671 20 5 GHBDRM O=C(Nc1cccc2cc(Br)cnc21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000326979674 855591338 /nfs/dbraw/zinc/59/13/38/855591338.db2.gz PCYHHXYPWJOZIR-UHFFFAOYSA-N -1 0 388.177 3.863 20 5 GHBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000591260460 855831663 /nfs/dbraw/zinc/83/16/63/855831663.db2.gz CHYMKRFFCQOPJZ-LJQANCHMSA-N -1 0 392.477 3.956 20 5 GHBDRM CC(C)c1csc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C2)n1 ZINC000184816721 856292681 /nfs/dbraw/zinc/29/26/81/856292681.db2.gz CJVSYCVJGFMBPX-GFCCVEGCSA-N -1 0 375.450 3.900 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)c1[N+](=O)[O-] ZINC000427643708 856384600 /nfs/dbraw/zinc/38/46/00/856384600.db2.gz BQFYOGTYPUZMTG-UHFFFAOYSA-N -1 0 381.797 3.807 20 5 GHBDRM CCC[C@@H](NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1)c1nnn[n-]1 ZINC000467652746 856667501 /nfs/dbraw/zinc/66/75/01/856667501.db2.gz GHKQXHURCCWRRE-CYBMUJFWSA-N -1 0 392.485 3.517 20 5 GHBDRM C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[C@H]1C(=O)[O-] ZINC000592467332 856884910 /nfs/dbraw/zinc/88/49/10/856884910.db2.gz MUOGMNHPBAUNNP-BLLLJJGKSA-N -1 0 392.477 3.812 20 5 GHBDRM CCOc1cc(Br)c(F)cc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000427989964 856983895 /nfs/dbraw/zinc/98/38/95/856983895.db2.gz BWKQTJYDLDUTNQ-UHFFFAOYSA-N -1 0 399.172 3.853 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000508222666 857084290 /nfs/dbraw/zinc/08/42/90/857084290.db2.gz NVQHSMFYCJZDIN-UHFFFAOYSA-N -1 0 395.746 3.771 20 5 GHBDRM Cc1sc([C@H]2CCCN2c2ccc([N+](=O)[O-])c3ncccc23)nc1C(=O)[O-] ZINC000592981167 857147505 /nfs/dbraw/zinc/14/75/05/857147505.db2.gz KUTNGKPBULJVAP-CQSZACIVSA-N -1 0 384.417 3.948 20 5 GHBDRM CN(CCC(=O)[O-])C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000485918820 857230773 /nfs/dbraw/zinc/23/07/73/857230773.db2.gz GBKDRTPHISMUHV-UHFFFAOYSA-N -1 0 378.768 3.587 20 5 GHBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=CC2=Cc3cc(Cl)cc(Cl)c3OC2)[nH]1 ZINC000486050766 857364922 /nfs/dbraw/zinc/36/49/22/857364922.db2.gz ISJMMSNIJFLQIU-OWOJBTEDSA-N -1 0 382.159 3.592 20 5 GHBDRM O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000520902282 857390264 /nfs/dbraw/zinc/39/02/64/857390264.db2.gz XNBOSRAZBOKPKR-UHFFFAOYSA-N -1 0 399.186 3.560 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CCC(C)C ZINC000520915725 857401878 /nfs/dbraw/zinc/40/18/78/857401878.db2.gz SOVGDPJBFZAYHK-UHFFFAOYSA-N -1 0 378.450 3.993 20 5 GHBDRM COc1ccc(Oc2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])cc2)cc1 ZINC000486099485 857426694 /nfs/dbraw/zinc/42/66/94/857426694.db2.gz CACGRZUXRFBYNI-WCIBSUBMSA-N -1 0 381.344 3.767 20 5 GHBDRM CCc1cccc([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000521279132 857808531 /nfs/dbraw/zinc/80/85/31/857808531.db2.gz UHPVEIQNCPPBQK-UHFFFAOYSA-N -1 0 385.239 3.721 20 5 GHBDRM Cc1cscc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000439051438 858147334 /nfs/dbraw/zinc/14/73/34/858147334.db2.gz QHDCMBJGUCUUCT-UHFFFAOYSA-N -1 0 377.241 3.528 20 5 GHBDRM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])cc2O1 ZINC000442833005 858170924 /nfs/dbraw/zinc/17/09/24/858170924.db2.gz GYBHSIGGWGJCEA-KRWDZBQOSA-N -1 0 378.406 3.601 20 5 GHBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 ZINC000059250742 858270959 /nfs/dbraw/zinc/27/09/59/858270959.db2.gz BZRLUESMYCKIJE-UHFFFAOYSA-N -1 0 396.424 3.522 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1-n1cccc1 ZINC000521917462 858430864 /nfs/dbraw/zinc/43/08/64/858430864.db2.gz IDGCHAQLVLHMDC-UHFFFAOYSA-N -1 0 377.809 3.840 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000575087583 858578987 /nfs/dbraw/zinc/57/89/87/858578987.db2.gz ATTDYDUGRSKFPG-QGZVFWFLSA-N -1 0 382.338 3.893 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)ccc1[N+](=O)[O-] ZINC000543665507 859293855 /nfs/dbraw/zinc/29/38/55/859293855.db2.gz YUKCHNITTROJNV-UHFFFAOYSA-N -1 0 377.205 3.716 20 5 GHBDRM O=C(CCc1cc(Br)ccc1F)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000483446518 859363115 /nfs/dbraw/zinc/36/31/15/859363115.db2.gz QSRAAIPNDOVZBU-UHFFFAOYSA-N -1 0 383.173 3.773 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000738664639 859485236 /nfs/dbraw/zinc/48/52/36/859485236.db2.gz JFKADPJBYZBEQD-UHFFFAOYSA-N -1 0 397.156 3.755 20 5 GHBDRM CC1(C(=O)[O-])CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000611478102 859776294 /nfs/dbraw/zinc/77/62/94/859776294.db2.gz FBEPXMFVHRRQSY-UHFFFAOYSA-N -1 0 397.431 3.534 20 5 GHBDRM O=[N+]([O-])c1ccc(CN=c2[n-]nc(Cc3ccc4ccccc4c3)o2)c(F)c1 ZINC000611491326 859778912 /nfs/dbraw/zinc/77/89/12/859778912.db2.gz HEFDJUJAUQGBTD-UHFFFAOYSA-N -1 0 378.363 3.895 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000611535608 859798654 /nfs/dbraw/zinc/79/86/54/859798654.db2.gz HVBQVJLORSNRDN-UHFFFAOYSA-N -1 0 380.322 3.634 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)[nH]n2)cc1[N+](=O)[O-] ZINC000474406506 860004001 /nfs/dbraw/zinc/00/40/01/860004001.db2.gz CAGDKRWDEDCXKK-UHFFFAOYSA-N -1 0 394.453 3.565 20 5 GHBDRM C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598253306 860177075 /nfs/dbraw/zinc/17/70/75/860177075.db2.gz HSKVURHRYLFSKZ-DIFFPNOSSA-N -1 0 376.796 3.556 20 5 GHBDRM Cc1cc([C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])C2)c(O)cc1Cl ZINC000598331704 860238675 /nfs/dbraw/zinc/23/86/75/860238675.db2.gz QGOVOBRQMPWIIQ-NSHDSACASA-N -1 0 376.796 3.598 20 5 GHBDRM Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000124925258 860532220 /nfs/dbraw/zinc/53/22/20/860532220.db2.gz BAGUGJIIAATFHU-UHFFFAOYSA-N -1 0 387.373 3.768 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)ccc1[N+](=O)[O-] ZINC000125085954 860577175 /nfs/dbraw/zinc/57/71/75/860577175.db2.gz BRXWMYGRSRIZDZ-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(Cc3cccc(F)c3)s2)cc1 ZINC000125616443 860724421 /nfs/dbraw/zinc/72/44/21/860724421.db2.gz BXVXCEDKDYRQAR-UHFFFAOYSA-N -1 0 393.421 3.582 20 5 GHBDRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593703995 860934084 /nfs/dbraw/zinc/93/40/84/860934084.db2.gz VLBCQAKTXLYERF-DLBZAZTESA-N -1 0 395.415 3.521 20 5 GHBDRM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593739572 861122528 /nfs/dbraw/zinc/12/25/28/861122528.db2.gz BMWHKAWMIBNJHO-SGTLLEGYSA-N -1 0 390.823 3.908 20 5 GHBDRM CCC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000733675947 863105955 /nfs/dbraw/zinc/10/59/55/863105955.db2.gz KOBYUNHXKRYQGW-QGZVFWFLSA-N -1 0 396.509 3.928 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)ccc1[N+](=O)[O-] ZINC000494404158 881679012 /nfs/dbraw/zinc/67/90/12/881679012.db2.gz OTDWRVUAXXINMM-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM CC(=O)c1ccc([O-])c(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000444293594 863843653 /nfs/dbraw/zinc/84/36/53/863843653.db2.gz WUKFCWUFJCMUPF-UHFFFAOYSA-N -1 0 390.370 3.981 20 5 GHBDRM COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000480195711 864220618 /nfs/dbraw/zinc/22/06/18/864220618.db2.gz CXBNXWCBLYQQQM-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM CC(C)n1cc2cc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2n1 ZINC000736421631 865202538 /nfs/dbraw/zinc/20/25/38/865202538.db2.gz YUKDYXCDADNLAR-UHFFFAOYSA-N -1 0 394.840 3.980 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000736418654 865203250 /nfs/dbraw/zinc/20/32/50/865203250.db2.gz HQIDMXRUOKFBGE-UHFFFAOYSA-N -1 0 394.302 3.742 20 5 GHBDRM Cc1ccc(C)c2sc([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])nc21 ZINC000608929092 865835991 /nfs/dbraw/zinc/83/59/91/865835991.db2.gz XMDKQVGVXKVACK-UHFFFAOYSA-N -1 0 377.447 3.931 20 5 GHBDRM O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3F)ccc2c1 ZINC000183130982 866243414 /nfs/dbraw/zinc/24/34/14/866243414.db2.gz SAVSCZGFZCFXGO-UHFFFAOYSA-N -1 0 381.772 3.736 20 5 GHBDRM CCCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c(C)c1 ZINC000742028111 867017423 /nfs/dbraw/zinc/01/74/23/867017423.db2.gz RMFOJHMDSIWEOV-UHFFFAOYSA-N -1 0 382.413 3.940 20 5 GHBDRM O=C(Nc1cccc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)c1)c1ccco1 ZINC000445194198 867933722 /nfs/dbraw/zinc/93/37/22/867933722.db2.gz KWDHJYDIYKKCPO-UHFFFAOYSA-N -1 0 392.327 3.863 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2nc(Cc3ccccc3)cs2)ccc1[N+](=O)[O-] ZINC000523773365 867939875 /nfs/dbraw/zinc/93/98/75/867939875.db2.gz SBVPHUQBUFHBKY-UHFFFAOYSA-N -1 0 389.458 3.751 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc1[N+](=O)[O-] ZINC000743260939 868032428 /nfs/dbraw/zinc/03/24/28/868032428.db2.gz IHNIAOOQHOAWEW-UHFFFAOYSA-N -1 0 392.412 3.774 20 5 GHBDRM CCCn1ccc2cc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])ccc21 ZINC000745383137 869511705 /nfs/dbraw/zinc/51/17/05/869511705.db2.gz MIZVECBYVYUUDK-UHFFFAOYSA-N -1 0 377.397 3.899 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000462894713 870316382 /nfs/dbraw/zinc/31/63/82/870316382.db2.gz IXPUKWWQWWIRNN-UHFFFAOYSA-N -1 0 379.166 3.616 20 5 GHBDRM COc1cc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)sc1Br ZINC000121359588 871693213 /nfs/dbraw/zinc/69/32/13/871693213.db2.gz QYPLEVGFQYYEBB-UHFFFAOYSA-N -1 0 393.165 3.958 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000509660775 872021351 /nfs/dbraw/zinc/02/13/51/872021351.db2.gz FTRNKIMFCOZIBU-UHFFFAOYSA-N -1 0 376.312 3.603 20 5 GHBDRM O=S(=O)([N-]c1cccc2nc3ccccc3nc12)c1cccc2nccnc21 ZINC001194981318 872083662 /nfs/dbraw/zinc/08/36/62/872083662.db2.gz RCRJNPPXNHGDKH-UHFFFAOYSA-N -1 0 387.424 3.527 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(CC3CCCCC3)CC2)ccc1[O-] ZINC001195427555 872416205 /nfs/dbraw/zinc/41/62/05/872416205.db2.gz LMBNUUFJKADZAR-UHFFFAOYSA-N -1 0 382.482 3.672 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1c(F)ccc(Br)c1F ZINC000443449409 872751014 /nfs/dbraw/zinc/75/10/14/872751014.db2.gz ANLKPSGSHMRWMA-DAFODLJHSA-N -1 0 385.120 3.899 20 5 GHBDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1C1CC1 ZINC000768282491 873231707 /nfs/dbraw/zinc/23/17/07/873231707.db2.gz INBDURQWDXLNLV-NSHDSACASA-N -1 0 396.444 3.888 20 5 GHBDRM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@H](C2CCCCC2)C(F)(F)F)cc1 ZINC000541309478 873337303 /nfs/dbraw/zinc/33/73/03/873337303.db2.gz GGXXOPFZYONVKE-CQSZACIVSA-N -1 0 380.388 3.525 20 5 GHBDRM CCCCc1nc2cc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000768864267 873666427 /nfs/dbraw/zinc/66/64/27/873666427.db2.gz OBIAFGFCSYTHRU-UHFFFAOYSA-N -1 0 380.451 3.676 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000768951922 873731437 /nfs/dbraw/zinc/73/14/37/873731437.db2.gz MUPDKCXYHQXAJJ-ZDUSSCGKSA-N -1 0 376.796 3.637 20 5 GHBDRM COc1cc(F)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)c(F)c1 ZINC000769631810 874178143 /nfs/dbraw/zinc/17/81/43/874178143.db2.gz YSVYPLARZPQCKO-UHFFFAOYSA-N -1 0 392.767 3.644 20 5 GHBDRM CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000770415865 874657139 /nfs/dbraw/zinc/65/71/39/874657139.db2.gz HARNICFPDQEXDW-UHFFFAOYSA-N -1 0 387.392 3.577 20 5 GHBDRM O=[N+]([O-])c1ccc(CCS(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)cc1 ZINC000542240770 875232637 /nfs/dbraw/zinc/23/26/37/875232637.db2.gz UEFHNZJFXFDSRI-HNNXBMFYSA-N -1 0 394.415 3.568 20 5 GHBDRM CCOc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)ccc1OC(F)F ZINC000029956426 875732072 /nfs/dbraw/zinc/73/20/72/875732072.db2.gz 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3.572 20 5 GHBDRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237998435 878493647 /nfs/dbraw/zinc/49/36/47/878493647.db2.gz PAIUVYIKERODCW-CYBMUJFWSA-N -1 0 389.433 3.578 20 5 GHBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC000174757322 880224453 /nfs/dbraw/zinc/22/44/53/880224453.db2.gz LZUKDLMQWLEWMK-UHFFFAOYSA-N -1 0 378.303 3.640 20 5 GHBDRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791433416 880401667 /nfs/dbraw/zinc/40/16/67/880401667.db2.gz VTVGLJHORDSGCB-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM CC[C@H](c1n[n-]c(=NC(=O)c2ccc([N+](=O)[O-])cc2C)s1)c1ccccc1 ZINC000609305647 881235054 /nfs/dbraw/zinc/23/50/54/881235054.db2.gz XZTSDJVWPVKVIK-HNNXBMFYSA-N -1 0 382.445 3.971 20 5 GHBDRM O=C(NCC1(c2ccc(F)cc2F)CCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000556982232 881283859 /nfs/dbraw/zinc/28/38/59/881283859.db2.gz OOGZDJGTDDAJBT-UHFFFAOYSA-N -1 0 376.359 3.820 20 5 GHBDRM O=C([N-][C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)C(F)(F)c1nccs1 ZINC001129747176 883173640 /nfs/dbraw/zinc/17/36/40/883173640.db2.gz MYWZRLPMLJHXKX-VIFPVBQESA-N -1 0 399.272 3.702 20 5 GHBDRM O=C1CCCc2ccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21 ZINC000175013067 883184488 /nfs/dbraw/zinc/18/44/88/883184488.db2.gz CDYKGUORAJXAIM-UHFFFAOYSA-N -1 0 380.809 3.568 20 5 GHBDRM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000175119267 883287846 /nfs/dbraw/zinc/28/78/46/883287846.db2.gz AUVTTWNGSGRVKO-SNVBAGLBSA-N -1 0 399.812 3.504 20 5 GHBDRM COc1nc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2s1 ZINC000551116369 883308813 /nfs/dbraw/zinc/30/88/13/883308813.db2.gz YDWIXVQJGWVFLJ-UHFFFAOYSA-N -1 0 399.837 3.667 20 5 GHBDRM Cn1cc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(-c2ccc(Cl)s2)n1 ZINC000476882789 883323525 /nfs/dbraw/zinc/32/35/25/883323525.db2.gz MEXLCRUYAPTEKW-UHFFFAOYSA-N -1 0 378.797 3.668 20 5 GHBDRM O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000609680686 883539249 /nfs/dbraw/zinc/53/92/49/883539249.db2.gz VWFHWDJSVSXGRD-MUUNZHRXSA-N -1 0 396.424 3.861 20 5 GHBDRM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)n1 ZINC000556333381 884502657 /nfs/dbraw/zinc/50/26/57/884502657.db2.gz IKSUALRYPDOEFA-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM O=C([O-])C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(F)cc1 ZINC000194790989 884581702 /nfs/dbraw/zinc/58/17/02/884581702.db2.gz WCURJOCUEMZHJH-AWEZNQCLSA-N -1 0 388.376 3.894 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OC(C)(C)C ZINC000498489385 884597303 /nfs/dbraw/zinc/59/73/03/884597303.db2.gz LLYBXNPROMWBKO-UHFFFAOYSA-N -1 0 398.412 3.721 20 5 GHBDRM O=C([O-])CC[C@@H](Cc1ccccc1)Nc1ncc([N+](=O)[O-])cc1Br ZINC000263569129 885231336 /nfs/dbraw/zinc/23/13/36/885231336.db2.gz YZVNBADUKMGGKN-LBPRGKRZSA-N -1 0 394.225 3.640 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1nnc(C[C@@H](C)CC(C)(C)C)o1 ZINC000194883492 885308418 /nfs/dbraw/zinc/30/84/18/885308418.db2.gz HAYZZJYZGJWFLI-LLVKDONJSA-N -1 0 396.469 3.702 20 5 GHBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Oc2cccnc2)cc1 ZINC000808126446 886001244 /nfs/dbraw/zinc/00/12/44/886001244.db2.gz PPFLJQIMNFNYEB-UHFFFAOYSA-N -1 0 389.364 3.722 20 5 GHBDRM CCN(Cc1cccc(Br)c1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000498926262 886116059 /nfs/dbraw/zinc/11/60/59/886116059.db2.gz DPMFBTRBJNIUSG-UHFFFAOYSA-N -1 0 379.210 3.725 20 5 GHBDRM CCOCCOc1c(Cl)cccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000475886935 886394897 /nfs/dbraw/zinc/39/48/97/886394897.db2.gz HMWKTQYSRKWRGO-UHFFFAOYSA-N -1 0 380.784 3.621 20 5 GHBDRM COc1ccc(-c2ccc(CNC(=O)c3cc([O-])ccc3[N+](=O)[O-])cc2)cc1 ZINC000556875059 886409881 /nfs/dbraw/zinc/40/98/81/886409881.db2.gz MSGJHQFMMZPCJL-UHFFFAOYSA-N -1 0 378.384 3.906 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2Cc3ccccc32)c(Cl)cc1Cl ZINC000809809391 887820084 /nfs/dbraw/zinc/82/00/84/887820084.db2.gz OUVYVXNZKYRJCO-SNVBAGLBSA-N -1 0 387.244 3.520 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000794865769 888563235 /nfs/dbraw/zinc/56/32/35/888563235.db2.gz RPAUOKNQWZODJV-UHFFFAOYSA-N -1 0 390.389 3.719 20 5 GHBDRM O=C(CC/C=C/c1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000122052676 889351674 /nfs/dbraw/zinc/35/16/74/889351674.db2.gz JNPWWWWDDWVVRC-RUDMXATFSA-N -1 0 394.836 3.547 20 5 GHBDRM CC1(C)CCCc2sc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])nc21 ZINC000811837134 890022628 /nfs/dbraw/zinc/02/26/28/890022628.db2.gz HTOCOBQTWWYROH-UHFFFAOYSA-N -1 0 385.442 3.605 20 5 GHBDRM O=C([O-])CC1(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCCC1 ZINC000262938068 892381752 /nfs/dbraw/zinc/38/17/52/892381752.db2.gz PNWNRUOQJLJPEB-UHFFFAOYSA-N -1 0 397.431 3.724 20 5 GHBDRM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000106893029 892409953 /nfs/dbraw/zinc/40/99/53/892409953.db2.gz LRGCDMPZIZWIJQ-VIFPVBQESA-N -1 0 387.458 3.527 20 5 GHBDRM CCC(CC)[C@@H](NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1cccs1 ZINC000917931598 892844740 /nfs/dbraw/zinc/84/47/40/892844740.db2.gz LZASPUYGZCVVFH-MRXNPFEDSA-N -1 0 384.479 3.818 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000497960025 892849695 /nfs/dbraw/zinc/84/96/95/892849695.db2.gz NMLVCTRXVBZMTL-UHFFFAOYSA-N -1 0 382.825 3.838 20 5 GHBDRM CC(C)(C)CC[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C(=O)[O-] ZINC000455795008 893380358 /nfs/dbraw/zinc/38/03/58/893380358.db2.gz PBSVHIQMBWQEPN-MRXNPFEDSA-N -1 0 398.434 3.830 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccc(F)cc3)s2)cc1 ZINC000069901870 893967278 /nfs/dbraw/zinc/96/72/78/893967278.db2.gz XOLCNCDPLWDSBJ-UHFFFAOYSA-N -1 0 393.421 3.582 20 5 GHBDRM Cc1ccc(C[C@@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])c2ccccn2)cc1 ZINC000537220028 894584719 /nfs/dbraw/zinc/58/47/19/894584719.db2.gz NECCNJJPEQDRTD-GOSISDBHSA-N -1 0 377.400 3.718 20 5 GHBDRM CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000537366742 894839344 /nfs/dbraw/zinc/83/93/44/894839344.db2.gz YKBBFAWBQCOXAP-HNNXBMFYSA-N -1 0 380.759 3.505 20 5 GHBDRM Cc1cc(N2CCN(Cc3ccc(Cl)cc3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565038747 895362836 /nfs/dbraw/zinc/36/28/36/895362836.db2.gz SAULAXRJPGADHU-UHFFFAOYSA-N -1 0 389.839 3.577 20 5 GHBDRM O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000568513942 897900614 /nfs/dbraw/zinc/90/06/14/897900614.db2.gz RWEKGRVOPUFCBG-CJNGLKHVSA-N -1 0 376.796 3.604 20 5 GHBDRM COCCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](C)c1ccccc1 ZINC001136455257 897901155 /nfs/dbraw/zinc/90/11/55/897901155.db2.gz ZKNKENXWHAVFPW-LBPRGKRZSA-N -1 0 378.812 3.804 20 5 GHBDRM O=C(NCC1(c2cccc(Br)c2)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC001136836469 899453160 /nfs/dbraw/zinc/45/31/60/899453160.db2.gz CVEYJDPREZFVHM-UHFFFAOYSA-N -1 0 391.221 3.525 20 5 GHBDRM Cc1ccc(N2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000844218265 900584534 /nfs/dbraw/zinc/58/45/34/900584534.db2.gz JOSXKLXUSVHLRM-SFHVURJKSA-N -1 0 389.839 3.505 20 5 GHBDRM O=C([O-])c1cc(NC[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000573687389 900597007 /nfs/dbraw/zinc/59/70/07/900597007.db2.gz GJXUMBWSDZDDLZ-LBPRGKRZSA-N -1 0 398.337 3.575 20 5 GHBDRM O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000573907548 900697464 /nfs/dbraw/zinc/69/74/64/900697464.db2.gz OVSWSEAQSNAJDS-UHFFFAOYSA-N -1 0 398.312 3.920 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)ccc1Cl ZINC000157764278 900812588 /nfs/dbraw/zinc/81/25/88/900812588.db2.gz DOYHWLPDFLXKDZ-UHFFFAOYSA-N -1 0 379.781 3.704 20 5 GHBDRM Cc1cccc2nc(C3CCN(c4nc(C(=O)[O-])ccc4[N+](=O)[O-])CC3)oc21 ZINC000578774870 904112238 /nfs/dbraw/zinc/11/22/38/904112238.db2.gz SYHRIMMEKQMIRB-UHFFFAOYSA-N -1 0 382.376 3.522 20 5 GHBDRM CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000779124784 904360085 /nfs/dbraw/zinc/36/00/85/904360085.db2.gz MQYSIFQCEVGUEL-UHFFFAOYSA-N -1 0 387.392 3.577 20 5 GHBDRM O=C([O-])c1cc(NCc2ccc(COC3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000579597263 904728076 /nfs/dbraw/zinc/72/80/76/904728076.db2.gz GJVZHDWMRDCWAI-UHFFFAOYSA-N -1 0 386.404 3.601 20 5 GHBDRM COC(=O)c1cccc(C(F)(F)F)c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174507087 907081319 /nfs/dbraw/zinc/08/13/19/907081319.db2.gz BGYJMMGHANBZIO-UHFFFAOYSA-N -1 0 384.266 3.842 20 5 GHBDRM CCCN(C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(C)C ZINC000773438835 907331981 /nfs/dbraw/zinc/33/19/81/907331981.db2.gz ZCBYLVHRBLHBOD-UHFFFAOYSA-N -1 0 385.420 3.813 20 5 GHBDRM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000192731398 907870013 /nfs/dbraw/zinc/87/00/13/907870013.db2.gz CRCRWYMSIPNHKK-UHFFFAOYSA-N -1 0 385.785 3.574 20 5 GHBDRM COC(=O)c1c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)scc1C(F)(F)F ZINC001176672639 908202836 /nfs/dbraw/zinc/20/28/36/908202836.db2.gz LTNCVBWTHQJCME-UHFFFAOYSA-N -1 0 390.295 3.904 20 5 GHBDRM COc1ccccc1Cn1nc(C)cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176673651 908204677 /nfs/dbraw/zinc/20/46/77/908204677.db2.gz ZRHBPYRYWULTBY-UHFFFAOYSA-N -1 0 382.376 3.598 20 5 GHBDRM CCOC(=O)c1sc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nc1C1CC1 ZINC001176678009 908205659 /nfs/dbraw/zinc/20/56/59/908205659.db2.gz HJHGERRJRLVVAZ-UHFFFAOYSA-N -1 0 377.378 3.547 20 5 GHBDRM CCOC(=O)c1noc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1-c1ccccc1 ZINC001176678542 908206556 /nfs/dbraw/zinc/20/65/56/908206556.db2.gz SPDYERIXLLUCIV-UHFFFAOYSA-N -1 0 397.343 3.868 20 5 GHBDRM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])ccc2o1 ZINC000194722911 908917908 /nfs/dbraw/zinc/91/79/08/908917908.db2.gz TUCDPBHLBCOIPQ-UHFFFAOYSA-N -1 0 393.396 3.973 20 5 GHBDRM COc1cc(CNc2ccc(C(=O)N3CCCCCC3)cc2)cc([N+](=O)[O-])c1[O-] ZINC000195123343 908968375 /nfs/dbraw/zinc/96/83/75/908968375.db2.gz GQKJTWPTDSQCPH-UHFFFAOYSA-N -1 0 399.447 3.937 20 5 GHBDRM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000269269148 910200531 /nfs/dbraw/zinc/20/05/31/910200531.db2.gz FODPXZZVNZELPJ-SANMLTNESA-N -1 0 376.434 3.600 20 5 GHBDRM O=C([O-])c1cnc(C2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)s1 ZINC000901934884 921752357 /nfs/dbraw/zinc/75/23/57/921752357.db2.gz RLDYYJQNUCFWRO-UHFFFAOYSA-N -1 0 381.841 3.783 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc1C ZINC000775291616 916837162 /nfs/dbraw/zinc/83/71/62/916837162.db2.gz VOIFBNCRYBEUGX-UHFFFAOYSA-N -1 0 396.471 3.607 20 5 GHBDRM O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000796453418 917455537 /nfs/dbraw/zinc/45/55/37/917455537.db2.gz GOWOXHNQOBDWDO-UHFFFAOYSA-N -1 0 386.751 3.788 20 5 GHBDRM O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119809968 919655360 /nfs/dbraw/zinc/65/53/60/919655360.db2.gz RNVCHNKEFZKTNU-CYBMUJFWSA-N -1 0 376.237 3.612 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)cc1C ZINC000409584696 924779997 /nfs/dbraw/zinc/77/99/97/924779997.db2.gz MHAZKJAFNRDLGM-UHFFFAOYSA-N -1 0 381.479 3.738 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CSc1nnc(N2CCCCC2)n1C1CC1 ZINC000412984990 928072090 /nfs/dbraw/zinc/07/20/90/928072090.db2.gz DRPVSIJPQAYOLZ-UHFFFAOYSA-N -1 0 375.454 3.509 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(OC(F)(F)F)c1 ZINC000751269216 928104405 /nfs/dbraw/zinc/10/44/05/928104405.db2.gz GSXICRBIPIONFR-UHFFFAOYSA-N -1 0 396.730 3.948 20 5 GHBDRM Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000466958049 928542858 /nfs/dbraw/zinc/54/28/58/928542858.db2.gz QGEKURSYDQKCGT-UHFFFAOYSA-N -1 0 392.462 3.568 20 5 GHBDRM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000753058573 929183951 /nfs/dbraw/zinc/18/39/51/929183951.db2.gz FVINWDADFRKBDP-UHFFFAOYSA-N -1 0 398.824 3.534 20 5 GHBDRM Cc1cc(C(=O)N=c2[n-]nc(-c3cc4ccccc4o3)s2)ccc1[N+](=O)[O-] ZINC000470368905 930566885 /nfs/dbraw/zinc/56/68/85/930566885.db2.gz GWVQCJUXQTVDAT-UHFFFAOYSA-N -1 0 380.385 3.842 20 5 GHBDRM CCCCN1Cc2cccc([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])c2C1 ZINC000547305461 930902031 /nfs/dbraw/zinc/90/20/31/930902031.db2.gz TYYRCFLHXRGBEI-UHFFFAOYSA-N -1 0 389.477 3.820 20 5 GHBDRM C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000557118245 931219637 /nfs/dbraw/zinc/21/96/37/931219637.db2.gz MXDAXVQCIVYAJK-QMMMGPOBSA-N -1 0 399.172 3.608 20 5 GHBDRM CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000557372020 931385586 /nfs/dbraw/zinc/38/55/86/931385586.db2.gz XCNICBPLWVEFMQ-UHFFFAOYSA-N -1 0 384.310 3.514 20 5 GHBDRM Cc1cc(OCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000797635706 932352287 /nfs/dbraw/zinc/35/22/87/932352287.db2.gz FEURRVIVYYWSSQ-UHFFFAOYSA-N -1 0 384.310 3.549 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3F)s2)cc1[N+](=O)[O-] ZINC000559186676 932496835 /nfs/dbraw/zinc/49/68/35/932496835.db2.gz UNAANJRHGBQWPU-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c1 ZINC000798246695 932575117 /nfs/dbraw/zinc/57/51/17/932575117.db2.gz FKYKCACSZHTMBA-UHFFFAOYSA-N -1 0 396.787 3.578 20 5 GHBDRM COc1cc(CNc2ccc(C(=O)NCC(C)C)cc2C)cc([N+](=O)[O-])c1[O-] ZINC000559996004 933005407 /nfs/dbraw/zinc/00/54/07/933005407.db2.gz FNXZXRRJQASAGB-UHFFFAOYSA-N -1 0 387.436 3.615 20 5 GHBDRM COc1cccc(N2CCC(Nc3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)CC2)c1 ZINC001118221452 934112429 /nfs/dbraw/zinc/11/24/29/934112429.db2.gz CWDPTXXAIVCDDV-UHFFFAOYSA-N -1 0 385.420 3.691 20 5 GHBDRM CC(C)c1scnc1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000829973972 935886931 /nfs/dbraw/zinc/88/69/31/935886931.db2.gz RSBCSJAHTDODBU-UHFFFAOYSA-N -1 0 379.822 3.768 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)c1 ZINC000830009092 935889734 /nfs/dbraw/zinc/88/97/34/935889734.db2.gz PQAYSWLGDYFKKX-CYBMUJFWSA-N -1 0 396.852 3.861 20 5 GHBDRM O=C([O-])c1cccc(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c1 ZINC001595241967 949469121 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O=C(NCCc1ccc(OCc2ccccc2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001625948142 1014519600 /nfs/dbraw/zinc/51/96/00/1014519600.db2.gz GOEYFOYYJFXXCD-UHFFFAOYSA-N -1 0 392.411 3.852 20 5 GHBDRM COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)c1 ZINC000841502303 979305157 /nfs/dbraw/zinc/30/51/57/979305157.db2.gz YYTVJVURFPITSK-UHFFFAOYSA-N -1 0 399.403 3.544 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000841502860 979305421 /nfs/dbraw/zinc/30/54/21/979305421.db2.gz JLOBKUBERIDWJG-UHFFFAOYSA-N -1 0 383.404 3.844 20 5 GHBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001595213098 980004130 /nfs/dbraw/zinc/00/41/30/980004130.db2.gz SIUKZLJXLBYWHK-IRXDYDNUSA-N -1 0 376.453 3.561 20 5 GHBDRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)c1ccccc1OC ZINC001595253355 980230041 /nfs/dbraw/zinc/23/00/41/980230041.db2.gz XSPOPIBWMVJIDU-CQSZACIVSA-N -1 0 387.392 3.883 20 5 GHBDRM CCCCC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])C(C)(C)C ZINC001595687471 982179465 /nfs/dbraw/zinc/17/94/65/982179465.db2.gz QZKHGBPXCWMLFQ-HNNXBMFYSA-N -1 0 386.470 3.566 20 5 GHBDRM CC[C@@H](C)Oc1cc(-c2noc(-c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)n2)ccn1 ZINC001594995970 982897466 /nfs/dbraw/zinc/89/74/66/982897466.db2.gz BJGROWFFBPPQNF-SNVBAGLBSA-N -1 0 384.348 3.582 20 5 GHBDRM CCNc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)cc1[N+](=O)[O-] ZINC001596501103 984252586 /nfs/dbraw/zinc/25/25/86/984252586.db2.gz CKFQULHKNPDWEG-OAHLLOKOSA-N -1 0 378.768 3.663 20 5 GHBDRM CCNc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1[N+](=O)[O-] ZINC001596501498 984256199 /nfs/dbraw/zinc/25/61/99/984256199.db2.gz XIZQDAMLJIYJDI-UHFFFAOYSA-N -1 0 389.433 3.917 20 5 GHBDRM Cc1c(Br)cc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001599971199 986008332 /nfs/dbraw/zinc/00/83/32/986008332.db2.gz YXOWZELGVCXVLF-UHFFFAOYSA-N -1 0 379.166 3.616 20 5 GHBDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001597021550 986412383 /nfs/dbraw/zinc/41/23/83/986412383.db2.gz ZBWVJPZKLIPTMV-UHFFFAOYSA-N -1 0 393.783 3.667 20 5 GHBDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001597026422 986434396 /nfs/dbraw/zinc/43/43/96/986434396.db2.gz XEACIRXIVOIAIE-UHFFFAOYSA-N -1 0 385.376 3.518 20 5 GHBDRM CCOc1ccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(C(=O)[O-])c1F ZINC001597120261 986810133 /nfs/dbraw/zinc/81/01/33/986810133.db2.gz DWMSHISCGMKTPD-UHFFFAOYSA-N -1 0 376.340 3.700 20 5 GHBDRM CCS[C@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001597258929 987275076 /nfs/dbraw/zinc/27/50/76/987275076.db2.gz ZIVJPBQQZBEMCO-ZFWWWQNUSA-N -1 0 398.506 3.566 20 5 GHBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001597273395 987328028 /nfs/dbraw/zinc/32/80/28/987328028.db2.gz UAZXGRBNIOJLDQ-UHFFFAOYSA-N -1 0 395.462 3.778 20 5 GHBDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001589605030 987447479 /nfs/dbraw/zinc/44/74/79/987447479.db2.gz AFCVQRXRDNRTBX-GFCCVEGCSA-N -1 0 382.844 3.530 20 5 GHBDRM CCc1ccc(Br)cc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001597495589 988043975 /nfs/dbraw/zinc/04/39/75/988043975.db2.gz XMMIBXNYKXJBFD-UHFFFAOYSA-N -1 0 393.193 3.870 20 5 GHBDRM CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC001597499962 988052375 /nfs/dbraw/zinc/05/23/75/988052375.db2.gz ATMWEYVUASTYPE-IBGZPJMESA-N -1 0 378.384 3.866 20 5 GHBDRM CCc1ccc(C(=O)Nc2cc(C(F)(F)F)cnc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001597503330 988070975 /nfs/dbraw/zinc/07/09/75/988070975.db2.gz PUUQYIBCRGSTHH-UHFFFAOYSA-N -1 0 383.282 3.522 20 5 GHBDRM CCc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC001597551411 988275177 /nfs/dbraw/zinc/27/51/77/988275177.db2.gz ZVUPXLDRENYQSZ-UHFFFAOYSA-N -1 0 393.193 3.870 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001597563412 988314395 /nfs/dbraw/zinc/31/43/95/988314395.db2.gz JEQBYYNGLFHHJE-IBGZPJMESA-N -1 0 389.383 3.808 20 5 GHBDRM CSc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC001599821875 988527655 /nfs/dbraw/zinc/52/76/55/988527655.db2.gz LBIAGIDEVLOGOY-CYBMUJFWSA-N -1 0 398.799 3.665 20 5 GHBDRM C[C@@H](Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC001599842468 988866749 /nfs/dbraw/zinc/86/67/49/988866749.db2.gz OYPIBDOCPQIENW-SSDOTTSWSA-N -1 0 384.161 3.763 20 5 GHBDRM CC(C)(C)n1cncc1[C@H]1CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001590603175 990265543 /nfs/dbraw/zinc/26/55/43/990265543.db2.gz RRUDQLNTIANEGQ-HNNXBMFYSA-N -1 0 386.452 3.557 20 5 GHBDRM CC(C)(CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC001590746679 990543439 /nfs/dbraw/zinc/54/34/39/990543439.db2.gz DFIPDRGZFVWKLN-UHFFFAOYSA-N -1 0 376.796 3.654 20 5 GHBDRM COc1cccc2cc(CNC(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3C)oc21 ZINC001599692607 991095534 /nfs/dbraw/zinc/09/55/34/991095534.db2.gz NJZUORQHMMEEFT-UHFFFAOYSA-N -1 0 399.359 3.678 20 5 GHBDRM COc1ccccc1C[C@@H](CNc1cc(OC)c([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001599706719 991303604 /nfs/dbraw/zinc/30/36/04/991303604.db2.gz DKEAQFUQLVUYIN-LBPRGKRZSA-N -1 0 394.811 3.621 20 5 GHBDRM CN(Cc1ccc([N+](=O)[O-])cc1Br)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598525388 992713783 /nfs/dbraw/zinc/71/37/83/992713783.db2.gz FMXAPVJNIXAXON-OAHLLOKOSA-N -1 0 379.210 3.615 20 5 GHBDRM CN(Cc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001598526106 992723543 /nfs/dbraw/zinc/72/35/43/992723543.db2.gz KNYKYQWUMPVDES-UHFFFAOYSA-N -1 0 392.408 3.573 20 5 GHBDRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000545444881 1015877387 /nfs/dbraw/zinc/87/73/87/1015877387.db2.gz CGNARAJNFWUHDX-UHFFFAOYSA-N -1 0 385.159 3.631 20 5 GHBDRM COC(=O)[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])CC1CCCC1 ZINC001598703222 995251482 /nfs/dbraw/zinc/25/14/82/995251482.db2.gz CPZAHIATJPTSOI-LLVKDONJSA-N -1 0 384.816 3.728 20 5 GHBDRM C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001593613671 995821806 /nfs/dbraw/zinc/82/18/06/995821806.db2.gz VXOHORRXTLVCIX-SECBINFHSA-N -1 0 399.277 3.685 20 5 GHBDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001599400020 997198685 /nfs/dbraw/zinc/19/86/85/997198685.db2.gz QZXGPMGMBUYNNQ-CLTKARDFSA-N -1 0 383.312 3.667 20 5 GHBDRM COc1ccc([C@H](OC)[C@@H](C)Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001599533587 997702581 /nfs/dbraw/zinc/70/25/81/997702581.db2.gz GVANUMGIDZKKTP-OZVZWTALSA-N -1 0 386.404 3.889 20 5 GHBDRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001599546158 997925994 /nfs/dbraw/zinc/92/59/94/997925994.db2.gz LRAMZLHEENWUNU-XVNBXDOJSA-N -1 0 377.736 3.574 20 5 GHBDRM COc1c(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cccc1C(=O)[O-] ZINC001599341350 997927816 /nfs/dbraw/zinc/92/78/16/997927816.db2.gz AQAZMWXDZIKXPV-UHFFFAOYSA-N -1 0 393.355 3.616 20 5 GHBDRM COc1cc(Br)ccc1Oc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001599349540 998068258 /nfs/dbraw/zinc/06/82/58/998068258.db2.gz ULXUYCVOKDHEGP-UHFFFAOYSA-N -1 0 383.154 3.560 20 5 GHBDRM COc1cc(OCc2cc(Br)ccc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599456981 998204728 /nfs/dbraw/zinc/20/47/28/998204728.db2.gz RIGSNCAAHWCEGE-UHFFFAOYSA-N -1 0 382.166 3.643 20 5 GHBDRM COc1cc2c(cc1CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])O[C@H](C)C2 ZINC001599462937 998305460 /nfs/dbraw/zinc/30/54/60/998305460.db2.gz CCLHWOAPOZYWGM-FVOPLDGLSA-N -1 0 384.388 3.637 20 5 GHBDRM COc1cc(C(=O)[O-])ccc1OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001599378951 998536205 /nfs/dbraw/zinc/53/62/05/998536205.db2.gz GGNPQALLLBROFO-UHFFFAOYSA-N -1 0 389.363 3.607 20 5 GHBDRM COC(=O)c1cc(Br)c([O-])cc1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001227359783 1032388804 /nfs/dbraw/zinc/38/88/04/1032388804.db2.gz OXDJDJSTBMFIJC-VIFPVBQESA-N -1 0 396.193 3.990 20 5 GHBDRM CSc1nc(O[C@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227625070 1032490187 /nfs/dbraw/zinc/49/01/87/1032490187.db2.gz NWCVZCHDCKVIOR-SSDOTTSWSA-N -1 0 375.328 3.971 20 5 GHBDRM COc1ccc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3OC)ccc2c1 ZINC000795366195 1021035391 /nfs/dbraw/zinc/03/53/91/1021035391.db2.gz NFVDXWLKEWYNCT-UHFFFAOYSA-N -1 0 388.401 3.566 20 5 GHBDRM C[C@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])c1c(F)c(F)c(F)c(F)c1F ZINC001228604936 1033002170 /nfs/dbraw/zinc/00/21/70/1033002170.db2.gz YSQKQNXWXSVEQZ-BYPYZUCNSA-N -1 0 391.252 3.803 20 5 GHBDRM Cn1ccnc1[C@@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000754775179 1022889103 /nfs/dbraw/zinc/88/91/03/1022889103.db2.gz KTBDOBJWEQIIAZ-FNQPIQQGSA-N -1 0 396.378 3.767 20 5 GHBDRM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831122054 1024368648 /nfs/dbraw/zinc/36/86/48/1024368648.db2.gz ZRQJCECNCNOOFV-YFKPBYRVSA-N -1 0 381.159 3.521 20 5 GHBDRM CC(C)(C)n1ncc(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])c1C(F)(F)F ZINC000837435681 1024457062 /nfs/dbraw/zinc/45/70/62/1024457062.db2.gz MPUKOYLLBPJBAD-UHFFFAOYSA-N -1 0 387.314 3.628 20 5 GHBDRM CCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000842450350 1029284639 /nfs/dbraw/zinc/28/46/39/1029284639.db2.gz ANBDPQIEDVQMIK-CQSZACIVSA-N -1 0 396.387 3.635 20 5 GHBDRM COc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3[O-])n2)ccc1-n1cnc(C)c1 ZINC001216563961 1029688005 /nfs/dbraw/zinc/68/80/05/1029688005.db2.gz PZEILFRQNOUYKQ-UHFFFAOYSA-N -1 0 393.359 3.520 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2nc(-c3ncccc3OCc3ccccc3)no2)c1[O-] ZINC001216702182 1029735547 /nfs/dbraw/zinc/73/55/47/1029735547.db2.gz LGGKSCBSEFDSKS-UHFFFAOYSA-N -1 0 390.355 3.991 20 5 GHBDRM CC1(C)CC(=O)c2ccc(-c3noc(-c4c([O-])cccc4[N+](=O)[O-])n3)cc2O1 ZINC001216845440 1029960487 /nfs/dbraw/zinc/96/04/87/1029960487.db2.gz OGMNXUOWCZMAKO-UHFFFAOYSA-N -1 0 381.344 3.761 20 5 GHBDRM COc1ccc(Br)cc1-c1noc(-c2ccc([O-])cc2[N+](=O)[O-])n1 ZINC001216891001 1029982035 /nfs/dbraw/zinc/98/20/35/1029982035.db2.gz MCSPONRUZLZYPG-UHFFFAOYSA-N -1 0 392.165 3.789 20 5 GHBDRM O=c1cc(-c2nc(-c3cncc4ccccc43)no2)[n-]c2ccc([N+](=O)[O-])cc12 ZINC001217512225 1030454309 /nfs/dbraw/zinc/45/43/09/1030454309.db2.gz MDVLOUZIIXPBJN-UHFFFAOYSA-N -1 0 385.339 3.702 20 5 GHBDRM O=C(NCCc1c[nH]c2cc(F)c(Cl)cc12)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001150551882 1030566648 /nfs/dbraw/zinc/56/66/48/1030566648.db2.gz YVPAZJLHZXJNTP-UHFFFAOYSA-N -1 0 377.759 3.547 20 5 GHBDRM CC(C)=CCc1c([O-])cc(OC2CC(O)C2)c2c(=O)c3cccc(O)c3oc12 ZINC001218262298 1030859926 /nfs/dbraw/zinc/85/99/26/1030859926.db2.gz YWQXGHLGRFMHOG-UHFFFAOYSA-N -1 0 382.412 3.768 20 5 GHBDRM COc1ccc(NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])cc1[N+](=O)[O-] ZINC001152078798 1031097664 /nfs/dbraw/zinc/09/76/64/1031097664.db2.gz JKIPVSQRISCPIQ-UHFFFAOYSA-N -1 0 396.403 3.870 20 5 GHBDRM CCOC(=O)c1cccc([C@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C(F)(F)F)c1 ZINC001225663217 1031526890 /nfs/dbraw/zinc/52/68/90/1031526890.db2.gz AAAWRVXNKPJALK-ZDUSSCGKSA-N -1 0 386.282 3.555 20 5 GHBDRM C[C@H](Oc1[nH]ccc(=O)c1[N+](=O)[O-])c1c(F)cc(Br)cc1F ZINC001225664070 1031528361 /nfs/dbraw/zinc/52/83/61/1031528361.db2.gz INXDWVCFMLSAJV-LURJTMIESA-N -1 0 375.125 3.876 20 5 GHBDRM CCCSc1nc(O[C@@H](C)c2cc(OC)ccc2OC)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229792277 1033719142 /nfs/dbraw/zinc/71/91/42/1033719142.db2.gz QFEKYDRZNDGVQE-JTQLQIEISA-N -1 0 395.437 3.750 20 5 GHBDRM O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2CCN(Cc3ccccc3Cl)C2)cc1[O-] ZINC001231227814 1034472532 /nfs/dbraw/zinc/47/25/32/1034472532.db2.gz MVOMTTPFFDSVEA-LBPRGKRZSA-N -1 0 393.783 3.515 20 5 GHBDRM O=[N+]([O-])c1cc(Cc2nc(-c3ccc(F)cc3Br)no2)ccc1[O-] ZINC001247987445 1038526998 /nfs/dbraw/zinc/52/69/98/1038526998.db2.gz FWSKVBNEQXETDI-UHFFFAOYSA-N -1 0 394.156 3.843 20 5 GHBDRM O=[N+]([O-])c1cc(Cc2nc(-c3cccc(Br)c3F)no2)ccc1[O-] ZINC001247990884 1038528014 /nfs/dbraw/zinc/52/80/14/1038528014.db2.gz YSTQNPIIFDMQOI-UHFFFAOYSA-N -1 0 394.156 3.843 20 5 GHBDRM COC(=O)c1cccc2[nH]c(O[C@H](c3ccc([N+](=O)[O-])cc3)C(F)(F)F)nc21 ZINC001234045752 1039782252 /nfs/dbraw/zinc/78/22/52/1039782252.db2.gz WHXOHGRTLBHFLA-CQSZACIVSA-N -1 0 395.293 3.940 20 5 GHBDRM Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001292215893 1043631430 /nfs/dbraw/zinc/63/14/30/1043631430.db2.gz LEUOSRYRQFJLMH-UHFFFAOYSA-N -1 0 383.404 3.534 20 5 GHBDRM CCO[C@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C12CCCCC2 ZINC001293666472 1044284960 /nfs/dbraw/zinc/28/49/60/1044284960.db2.gz WTGSBLYIVQOSII-GJZGRUSLSA-N -1 0 382.844 3.812 20 5 GHBDRM CC[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])Oc1cccc(F)c1 ZINC001294371513 1044593511 /nfs/dbraw/zinc/59/35/11/1044593511.db2.gz XQZOQNKYNCVXDV-GFCCVEGCSA-N -1 0 382.775 3.680 20 5 GHBDRM CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001294554171 1044701458 /nfs/dbraw/zinc/70/14/58/1044701458.db2.gz BMDCEOGECQIXCN-AWEZNQCLSA-N -1 0 389.839 3.825 20 5 GHBDRM CS(C)(=O)=Nc1cccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC001295614140 1045071754 /nfs/dbraw/zinc/07/17/54/1045071754.db2.gz GYXROAZOBDEOFP-UHFFFAOYSA-N -1 0 383.813 3.565 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2cccc3nc4ccccc4nc23)cc1C ZINC001260638413 1045584178 /nfs/dbraw/zinc/58/41/78/1045584178.db2.gz HWIUGNVJCWQEEV-UHFFFAOYSA-N -1 0 379.441 3.901 20 5 GHBDRM COCCN(Cc1ccc(C)cc1C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001290728339 1049910357 /nfs/dbraw/zinc/91/03/57/1049910357.db2.gz HNXYIAIHIYLTPW-UHFFFAOYSA-N -1 0 392.839 3.859 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H]([N-]C(=O)C(F)(F)F)C(C)C)n1 ZINC001329661760 1050876880 /nfs/dbraw/zinc/87/68/80/1050876880.db2.gz WNFWYDNJNBEGBE-LBPRGKRZSA-N -1 0 386.330 3.637 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n(-c2cccc(C)c2)n1 ZINC001318634144 1054761851 /nfs/dbraw/zinc/76/18/51/1054761851.db2.gz MPBUAONGEVCXQR-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC001322080320 1056509294 /nfs/dbraw/zinc/50/92/94/1056509294.db2.gz JSKGLZHVDIRXLR-YVMONPNESA-N -1 0 398.444 3.757 20 5 GHBDRM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001445411787 1059523306 /nfs/dbraw/zinc/52/33/06/1059523306.db2.gz ZGHROLQEBJIHCH-RSNKEIGGSA-N -1 0 396.852 3.524 20 5 GHBDRM CCCN(Cc1nc(=O)c2sccc2[n-]1)Cc1cc([N+](=O)[O-])ccc1OC ZINC001340898201 1060233267 /nfs/dbraw/zinc/23/32/67/1060233267.db2.gz LCCNFBWKGVVEHB-UHFFFAOYSA-N -1 0 388.449 3.726 20 5 GHBDRM O=C(N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1s[n-]c(=O)c1Cl ZINC001451521705 1060788984 /nfs/dbraw/zinc/78/89/84/1060788984.db2.gz FBEOHKATIUPTOV-VIFPVBQESA-N -1 0 399.709 3.583 20 5 GHBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)[N-]c1nc(-c2ccc(F)cc2)ns1 ZINC001435179394 1062361712 /nfs/dbraw/zinc/36/17/12/1062361712.db2.gz ACFZUJRBQHWAGQ-UHFFFAOYSA-N -1 0 376.344 3.952 20 5 GHBDRM COc1cc(N(C)Cc2nc(=O)c3sccc3[n-]2)c(Cl)cc1[N+](=O)[O-] ZINC001458082833 1063552282 /nfs/dbraw/zinc/55/22/82/1063552282.db2.gz CHVOAMLFUPIANH-UHFFFAOYSA-N -1 0 380.813 3.604 20 5 GHBDRM Cc1ccc(NC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])cc1F ZINC001463610242 1064497409 /nfs/dbraw/zinc/49/74/09/1064497409.db2.gz SRXCRFRBDQEJPS-UHFFFAOYSA-N -1 0 390.758 3.839 20 5 GHBDRM Cc1cccnc1[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)(C)C ZINC001464754192 1065192861 /nfs/dbraw/zinc/19/28/61/1065192861.db2.gz AOXDRPNLPSQKCM-MRXNPFEDSA-N -1 0 381.429 3.503 20 5 GHBDRM CC(C)(Cc1cccc(Br)c1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001465530042 1065692209 /nfs/dbraw/zinc/69/22/09/1065692209.db2.gz DKZZHVZKKJLVIR-UHFFFAOYSA-N -1 0 393.237 3.814 20 5 GHBDRM O=C(C[C@H]1CCC[C@H](C(F)(F)F)O1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001466409191 1066137909 /nfs/dbraw/zinc/13/79/09/1066137909.db2.gz YFGFPMYLJZSNDO-LDYMZIIASA-N -1 0 382.722 3.782 20 5 GHBDRM C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(Br)cc1 ZINC001472149576 1073347310 /nfs/dbraw/zinc/34/73/10/1073347310.db2.gz WWAGZFPKRZCVRL-SNVBAGLBSA-N -1 0 379.210 3.596 20 5 GHBDRM CCC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001475010180 1074681934 /nfs/dbraw/zinc/68/19/34/1074681934.db2.gz NXSPRWXCPJAXCS-OAHLLOKOSA-N -1 0 380.441 3.814 20 5 GHBDRM Cc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 ZINC001475425706 1074870649 /nfs/dbraw/zinc/87/06/49/1074870649.db2.gz DPSDWPKASYXQNN-GXTWGEPZSA-N -1 0 384.816 3.530 20 5 GHBDRM CCc1oc2ccccc2c1CN(C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237087761 599780779 /nfs/dbraw/zinc/78/07/79/599780779.db2.gz PTGZXEPTJDCEKX-UHFFFAOYSA-N -1 0 382.372 3.874 20 5 GHBDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000738203439 599847795 /nfs/dbraw/zinc/84/77/95/599847795.db2.gz ZAZCQAAUIHRTHW-GFCCVEGCSA-N -1 0 380.447 3.632 20 5 GHBDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000738200804 599886659 /nfs/dbraw/zinc/88/66/59/599886659.db2.gz JXPJRVSYVHGQSG-OAHLLOKOSA-N -1 0 389.433 3.963 20 5 GHBDRM O=C([O-])[C@H](CNc1nc2ccc([N+](=O)[O-])cc2s1)Cc1cccc(F)c1 ZINC000739503635 599922977 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C[C@@H]1SCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000262156745 600482315 /nfs/dbraw/zinc/48/23/15/600482315.db2.gz PDXIEWOITRJKEQ-YVEFUNNKSA-N -1 0 386.429 3.612 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccccc1OC1CCC1 ZINC000740098628 600488771 /nfs/dbraw/zinc/48/87/71/600488771.db2.gz XAPMTUHHMGLZPK-UHFFFAOYSA-N -1 0 387.348 3.745 20 5 GHBDRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000740135012 600522509 /nfs/dbraw/zinc/52/25/09/600522509.db2.gz JLXMMISAEPRJQA-UHFFFAOYSA-N -1 0 399.584 3.961 20 5 GHBDRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000739471405 600525020 /nfs/dbraw/zinc/52/50/20/600525020.db2.gz JKYBOKQQWAKPEG-UHFFFAOYSA-N -1 0 399.584 3.961 20 5 GHBDRM O=C([O-])CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000739763129 600526763 /nfs/dbraw/zinc/52/67/63/600526763.db2.gz DEWBUJBSUPDBKQ-UHFFFAOYSA-N -1 0 393.193 3.627 20 5 GHBDRM O=C([O-])c1cc(NC(=O)CCCOc2ccccc2Cl)cc([N+](=O)[O-])c1 ZINC000739235023 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SCSWAPJTBDSALF-GFCCVEGCSA-N -1 0 399.428 3.633 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCN(c3cccc(Cl)c3)CC2)cc1Cl ZINC000740094379 600942961 /nfs/dbraw/zinc/94/29/61/600942961.db2.gz BSFUICAICTWRIX-UHFFFAOYSA-N -1 0 396.230 3.926 20 5 GHBDRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000766841204 600967798 /nfs/dbraw/zinc/96/77/98/600967798.db2.gz QODFYFGPOWHVBN-UHFFFAOYSA-N -1 0 380.278 3.515 20 5 GHBDRM CCc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000830232434 601056484 /nfs/dbraw/zinc/05/64/84/601056484.db2.gz UWLDYGRNIHWLSP-UHFFFAOYSA-N -1 0 383.404 3.708 20 5 GHBDRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1NC(=O)CC(C)C ZINC000738335699 601062916 /nfs/dbraw/zinc/06/29/16/601062916.db2.gz QAHQYXKPNFZXET-UHFFFAOYSA-N -1 0 399.403 3.838 20 5 GHBDRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000833178818 601079969 /nfs/dbraw/zinc/07/99/69/601079969.db2.gz ZBVBWKPOKRPXQF-YOEHRIQHSA-N -1 0 392.477 3.569 20 5 GHBDRM O=C([O-])Nc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000833287360 601668731 /nfs/dbraw/zinc/66/87/31/601668731.db2.gz BZXMIIFNMHJECO-UHFFFAOYSA-N -1 0 394.181 3.628 20 5 GHBDRM O=C([O-])c1ccccc1C(=O)c1ccc(N2CCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000833332517 602150877 /nfs/dbraw/zinc/15/08/77/602150877.db2.gz DHKBTXZOSAYUJT-UHFFFAOYSA-N -1 0 380.400 3.904 20 5 GHBDRM C[C@@H]1CCCN(c2ccc(C(=O)Nc3cc(C(=O)[O-])cs3)cc2[N+](=O)[O-])C1 ZINC000569886711 602183517 /nfs/dbraw/zinc/18/35/17/602183517.db2.gz WQYUWBYFHWOVOT-LLVKDONJSA-N -1 0 389.433 3.843 20 5 GHBDRM O=C([O-])COc1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000540705639 602260945 /nfs/dbraw/zinc/26/09/45/602260945.db2.gz SVJBMZUUXKQPOJ-UHFFFAOYSA-N -1 0 394.383 3.783 20 5 GHBDRM Cc1cc(N2CCC(Oc3ccc(F)cc3F)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832889875 602313841 /nfs/dbraw/zinc/31/38/41/602313841.db2.gz AXLJNBFQRMTNNR-UHFFFAOYSA-N -1 0 392.358 3.927 20 5 GHBDRM C[C@@H](NC(=O)[O-])c1ccc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000739018235 603103822 /nfs/dbraw/zinc/10/38/22/603103822.db2.gz YDQADWZOSKLZBG-LLVKDONJSA-N -1 0 383.364 3.586 20 5 GHBDRM O=C([O-])N1CCc2c(cccc2NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000740473760 603220178 /nfs/dbraw/zinc/22/01/78/603220178.db2.gz JYSRZAMFBKZCNT-UHFFFAOYSA-N -1 0 375.768 3.537 20 5 GHBDRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000825246381 604260364 /nfs/dbraw/zinc/26/03/64/604260364.db2.gz RGKXPRSDDFZELZ-GDBMZVCRSA-N -1 0 377.444 3.896 20 5 GHBDRM CC(C)Oc1cccc([C@@H](O)CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000827058526 604266775 /nfs/dbraw/zinc/26/67/75/604266775.db2.gz INAVOMGNDWDQBZ-KRWDZBQOSA-N -1 0 394.811 3.879 20 5 GHBDRM COC(=O)c1cc([N+](=O)[O-])c(NCCc2ccc(NC(=O)[O-])cc2)cc1Cl ZINC000831354236 604267295 /nfs/dbraw/zinc/26/72/95/604267295.db2.gz WTOSJBMPSIOVEY-UHFFFAOYSA-N -1 0 393.783 3.779 20 5 GHBDRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000825372186 604444949 /nfs/dbraw/zinc/44/49/49/604444949.db2.gz LUYRCBYRARSCSJ-CYBMUJFWSA-N -1 0 385.420 3.517 20 5 GHBDRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000825396547 604451260 /nfs/dbraw/zinc/45/12/60/604451260.db2.gz AVRZGCMHIXSKRO-LLVKDONJSA-N -1 0 383.360 3.600 20 5 GHBDRM C[C@H](Oc1ccc(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1)C(=O)[O-] ZINC000833537084 604523485 /nfs/dbraw/zinc/52/34/85/604523485.db2.gz HKCLGXLSTZHFJG-LBPRGKRZSA-N -1 0 378.812 3.732 20 5 GHBDRM Cc1cc([C@@H](C)OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)oc1C(=O)[O-] ZINC000832877311 604542716 /nfs/dbraw/zinc/54/27/16/604542716.db2.gz XEWVKGGKWVHDKO-MRVPVSSYSA-N -1 0 398.165 3.875 20 5 GHBDRM CCc1ccc(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)cc1[N+](=O)[O-] ZINC000830232299 604787891 /nfs/dbraw/zinc/78/78/91/604787891.db2.gz MXIGXPPMKAZJTH-UHFFFAOYSA-N -1 0 397.431 3.572 20 5 GHBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000833410928 604877666 /nfs/dbraw/zinc/87/76/66/604877666.db2.gz JACOTEUQBZIHNB-BMIGLBTASA-N -1 0 396.321 3.805 20 5 GHBDRM CC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC000833403379 605000167 /nfs/dbraw/zinc/00/01/67/605000167.db2.gz JEEWUELHCOCCMV-UHFFFAOYSA-N -1 0 388.401 3.617 20 5 GHBDRM C[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])[C@@H]1C ZINC000833607114 605002266 /nfs/dbraw/zinc/00/22/66/605002266.db2.gz CKKFZLYXTQTZAA-LALPHHSUSA-N -1 0 380.466 3.716 20 5 GHBDRM C[C@H]1CCC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C1 ZINC000833610420 605002275 /nfs/dbraw/zinc/00/22/75/605002275.db2.gz VMPBOPZHJMSLNF-QWHCGFSZSA-N -1 0 380.466 3.812 20 5 GHBDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000833414067 605047484 /nfs/dbraw/zinc/04/74/84/605047484.db2.gz PSUQPFNWJVFSIO-HNNXBMFYSA-N -1 0 376.796 3.830 20 5 GHBDRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000832230467 605150217 /nfs/dbraw/zinc/15/02/17/605150217.db2.gz AXDYXJFTORWOCO-YHWZYXNKSA-N -1 0 389.433 3.603 20 5 GHBDRM O=C([O-])Nc1cccc(-c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000834263111 605382373 /nfs/dbraw/zinc/38/23/73/605382373.db2.gz QBIXWKVDQQWYJZ-UHFFFAOYSA-N -1 0 376.275 3.875 20 5 GHBDRM CC(C)N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833499758 605394589 /nfs/dbraw/zinc/39/45/89/605394589.db2.gz YROHUKBRKTYQJE-UHFFFAOYSA-N -1 0 398.824 3.550 20 5 GHBDRM O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)c3cc4ccccc4c4cccnc34)C[C@@H]21 ZINC000834178422 605501958 /nfs/dbraw/zinc/50/19/58/605501958.db2.gz IXMDZFKTZXUNRG-UIAACRFSSA-N -1 0 389.455 3.896 20 5 GHBDRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000833811207 605595837 /nfs/dbraw/zinc/59/58/37/605595837.db2.gz AUPNDDJFJLFXBS-GXTWGEPZSA-N -1 0 390.465 3.586 20 5 GHBDRM 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GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cn1 ZINC000261408428 842653041 /nfs/dbraw/zinc/65/30/41/842653041.db2.gz QYGPNYOYEWULSU-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM COc1cc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)c([N+](=O)[O-])cc1F ZINC001126236722 843253542 /nfs/dbraw/zinc/25/35/42/843253542.db2.gz MNZDWIQHKQZJNP-UHFFFAOYSA-N -1 0 392.343 3.652 20 5 GHBDRM CCCCOc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1OC ZINC000603921160 861404753 /nfs/dbraw/zinc/40/47/53/861404753.db2.gz OTDADMCJEDDINB-CYBMUJFWSA-N -1 0 388.420 3.979 20 5 GHBDRM CCc1nc2ccccc2n1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000182180577 843453017 /nfs/dbraw/zinc/45/30/17/843453017.db2.gz KMMVRQKKLYLQHT-UHFFFAOYSA-N -1 0 394.431 3.690 20 5 GHBDRM CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000603940752 861424342 /nfs/dbraw/zinc/42/43/42/861424342.db2.gz XMHKBFVYMWIRLZ-QGZVFWFLSA-N -1 0 391.811 3.939 20 5 GHBDRM O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1)c1cccs1 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Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])c2)n1 ZINC000515632658 851274436 /nfs/dbraw/zinc/27/44/36/851274436.db2.gz XYFFJSKYAXAYLX-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1 ZINC000488248242 851309631 /nfs/dbraw/zinc/30/96/31/851309631.db2.gz CCMPPWLGERJAIK-NSHDSACASA-N -1 0 398.412 3.721 20 5 GHBDRM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000488253661 851313856 /nfs/dbraw/zinc/31/38/56/851313856.db2.gz QBGJSBWLIKIMAH-UHFFFAOYSA-N -1 0 395.195 3.850 20 5 GHBDRM COc1cc(OC)cc(-c2nnc(SCc3cc([O-])ccc3[N+](=O)[O-])o2)c1 ZINC000436473395 851959984 /nfs/dbraw/zinc/95/99/84/851959984.db2.gz IJOYOJKBXSQLCP-UHFFFAOYSA-N -1 0 389.389 3.660 20 5 GHBDRM COc1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1OC1CCCC1 ZINC000506196200 852185895 /nfs/dbraw/zinc/18/58/95/852185895.db2.gz WMBHIWUWVBTMRV-UHFFFAOYSA-N -1 0 386.404 3.560 20 5 GHBDRM CC(C)(C)OC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000732524472 862335877 /nfs/dbraw/zinc/33/58/77/862335877.db2.gz FJEPIZVIILFHGP-UHFFFAOYSA-N -1 0 393.421 3.743 20 5 GHBDRM Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436773383 852306264 /nfs/dbraw/zinc/30/62/64/852306264.db2.gz JAGLCYGDUKWISA-QGZVFWFLSA-N -1 0 392.415 3.983 20 5 GHBDRM COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436820134 852369892 /nfs/dbraw/zinc/36/98/92/852369892.db2.gz KWZNKWOKCLMWQM-SNVBAGLBSA-N -1 0 380.784 3.620 20 5 GHBDRM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436839325 852405773 /nfs/dbraw/zinc/40/57/73/852405773.db2.gz UCKJFPWOGFMJAD-NSHDSACASA-N -1 0 392.795 3.621 20 5 GHBDRM CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000489621910 852471533 /nfs/dbraw/zinc/47/15/33/852471533.db2.gz KBBJBCYBOXIPQS-QGZVFWFLSA-N -1 0 376.384 3.663 20 5 GHBDRM CCC[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1nnn[n-]1 ZINC000426878879 852501026 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O=[N+]([O-])c1cncc(Cl)c1Sc1n[n-]c(=NCc2ccc(F)cc2)s1 ZINC000589105332 854687522 /nfs/dbraw/zinc/68/75/22/854687522.db2.gz GIOVTPOXSGQKAU-UHFFFAOYSA-N -1 0 397.844 3.819 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1nc2ccccc2cc1Br ZINC000589199901 854745136 /nfs/dbraw/zinc/74/51/36/854745136.db2.gz MOSBYGPPKDUJFR-UHFFFAOYSA-N -1 0 388.177 3.863 20 5 GHBDRM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000057126300 855237600 /nfs/dbraw/zinc/23/76/00/855237600.db2.gz KJYKEKRJHYPZSA-GFCCVEGCSA-N -1 0 380.422 3.582 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)cc1 ZINC000055688122 855378456 /nfs/dbraw/zinc/37/84/56/855378456.db2.gz NXMOTZJBNWXSLE-UHFFFAOYSA-N -1 0 384.413 3.975 20 5 GHBDRM O=C(Nc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1)c1cccs1 ZINC000160189298 855474331 /nfs/dbraw/zinc/47/43/31/855474331.db2.gz PYTPRBJYIQRDAK-UHFFFAOYSA-N -1 0 383.385 3.867 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000166154244 855487894 /nfs/dbraw/zinc/48/78/94/855487894.db2.gz SLAOWJKBCDZOJF-UHFFFAOYSA-N -1 0 377.356 3.550 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)nn1-c1ccccc1 ZINC000542735529 855585749 /nfs/dbraw/zinc/58/57/49/855585749.db2.gz XZOQRFNHWCZJJL-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-n2cnc3ccccc32)cc1 ZINC000057748361 855663022 /nfs/dbraw/zinc/66/30/22/855663022.db2.gz FILZXGRGXJEJIE-UHFFFAOYSA-N -1 0 394.412 3.735 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c2ncccc12 ZINC000184774032 855827457 /nfs/dbraw/zinc/82/74/57/855827457.db2.gz NCVHJBCENIZVBP-UHFFFAOYSA-N -1 0 395.343 3.545 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000591353893 855949474 /nfs/dbraw/zinc/94/94/74/855949474.db2.gz RRFDZWZUXAXZBS-UHFFFAOYSA-N -1 0 399.403 3.713 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)c([N+](=O)[O-])c1 ZINC000427626227 856123771 /nfs/dbraw/zinc/12/37/71/856123771.db2.gz NAJHUNBBCZTHCI-UHFFFAOYSA-N -1 0 399.428 3.775 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000441798625 856408034 /nfs/dbraw/zinc/40/80/34/856408034.db2.gz SODJFYBERSAQTH-OAHLLOKOSA-N -1 0 386.795 3.807 20 5 GHBDRM O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000573969866 856833214 /nfs/dbraw/zinc/83/32/14/856833214.db2.gz UWAZYNRVWWWWLQ-GXTWGEPZSA-N -1 0 380.404 3.633 20 5 GHBDRM O=C(N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000573969870 856833709 /nfs/dbraw/zinc/83/37/09/856833709.db2.gz UWAZYNRVWWWWLQ-TZMCWYRMSA-N -1 0 380.404 3.633 20 5 GHBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1NCC(F)(F)F ZINC000058494364 856903156 /nfs/dbraw/zinc/90/31/56/856903156.db2.gz WTJPGDXQGLKYPD-UHFFFAOYSA-N -1 0 393.318 3.509 20 5 GHBDRM CCOC(=O)c1onc(-c2ccccc2)c1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC001128887266 856913539 /nfs/dbraw/zinc/91/35/39/856913539.db2.gz AULQZJDVXMOMGR-UHFFFAOYSA-N -1 0 395.371 3.987 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000438806595 857118698 /nfs/dbraw/zinc/11/86/98/857118698.db2.gz BJPNXGAQEVSPCQ-UHFFFAOYSA-N -1 0 387.204 3.579 20 5 GHBDRM O=C(N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000574087922 857218968 /nfs/dbraw/zinc/21/89/68/857218968.db2.gz WDLLETNGLAIJID-STQMWFEESA-N -1 0 380.404 3.633 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2OC(F)F)c1 ZINC000442230600 857620955 /nfs/dbraw/zinc/62/09/55/857620955.db2.gz FRDBAVYHFUBTJF-UHFFFAOYSA-N -1 0 378.740 3.650 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccco4)nc3c2)c1 ZINC000442341980 857755253 /nfs/dbraw/zinc/75/52/53/857755253.db2.gz AFFVKWYQQBYPMI-UHFFFAOYSA-N -1 0 384.373 3.532 20 5 GHBDRM O=C([O-])c1csc(C2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)n1 ZINC000574404548 857786927 /nfs/dbraw/zinc/78/69/27/857786927.db2.gz WJKRJGKKYHTLRG-UHFFFAOYSA-N -1 0 384.417 3.682 20 5 GHBDRM Cc1occc1-c1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])no1 ZINC000486565567 857857953 /nfs/dbraw/zinc/85/79/53/857857953.db2.gz WQNQILKZKILSJY-UHFFFAOYSA-N -1 0 377.378 3.569 20 5 GHBDRM Cc1occc1-c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)no1 ZINC000486569357 857871804 /nfs/dbraw/zinc/87/18/04/857871804.db2.gz WNXTVVMIIAHEJS-UHFFFAOYSA-N -1 0 377.378 3.569 20 5 GHBDRM Cc1cccc([C@@H](NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])c1C ZINC000521529100 858074710 /nfs/dbraw/zinc/07/47/10/858074710.db2.gz FSSAJHPTJADHBG-KBXCAEBGSA-N -1 0 385.420 3.706 20 5 GHBDRM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc21 ZINC000442837808 858175387 /nfs/dbraw/zinc/17/53/87/858175387.db2.gz QRGDMWXFBBUSQZ-UHFFFAOYSA-N -1 0 399.350 3.906 20 5 GHBDRM CC(C)(C)Oc1cc(N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000594734767 858268719 /nfs/dbraw/zinc/26/87/19/858268719.db2.gz BNJHAHYXKVOOQW-MNOVXSKESA-N -1 0 390.358 3.862 20 5 GHBDRM CCCCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CCc2ncsc2C1 ZINC000592899795 858364724 /nfs/dbraw/zinc/36/47/24/858364724.db2.gz DIWYBJRCKBXBPM-CYBMUJFWSA-N -1 0 375.450 3.557 20 5 GHBDRM CCCCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H]1CCc2ncsc2C1 ZINC000592903729 858377706 /nfs/dbraw/zinc/37/77/06/858377706.db2.gz XKCNYZJRQJEYEL-GFCCVEGCSA-N -1 0 375.450 3.557 20 5 GHBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC[C@@H]1C(=O)[O-] ZINC000595248252 858451660 /nfs/dbraw/zinc/45/16/60/858451660.db2.gz UPZRAPSXHYHGMR-DOMZBBRYSA-N -1 0 392.477 3.812 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000575087582 858578720 /nfs/dbraw/zinc/57/87/20/858578720.db2.gz ATTDYDUGRSKFPG-KRWDZBQOSA-N -1 0 382.338 3.893 20 5 GHBDRM CC(C)CCN1Cc2cccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2C1 ZINC000543146519 858614105 /nfs/dbraw/zinc/61/41/05/858614105.db2.gz HSUMFJXOSNADHC-UHFFFAOYSA-N -1 0 389.477 3.757 20 5 GHBDRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC000184964446 858758837 /nfs/dbraw/zinc/75/88/37/858758837.db2.gz XOHFCKNHFPXUJW-UHFFFAOYSA-N -1 0 385.401 3.537 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c2cccnc21 ZINC000184967470 858765698 /nfs/dbraw/zinc/76/56/98/858765698.db2.gz KFRXADLJYNPSKS-UHFFFAOYSA-N -1 0 397.334 3.963 20 5 GHBDRM COc1ccc(C)cc1-c1csc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000160304942 858790561 /nfs/dbraw/zinc/79/05/61/858790561.db2.gz YDKRSXMZYXEFCB-UHFFFAOYSA-N -1 0 385.401 3.993 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2C)c1C ZINC000509397205 859308103 /nfs/dbraw/zinc/30/81/03/859308103.db2.gz RLJLDGYILHEYCS-UHFFFAOYSA-N -1 0 389.355 3.735 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000597160976 859322702 /nfs/dbraw/zinc/32/27/02/859322702.db2.gz GJXFPZDWLOENFH-ZDUSSCGKSA-N -1 0 386.379 3.842 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000474430898 860080447 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COc1cc(Br)ccc1-c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000445234177 868033387 /nfs/dbraw/zinc/03/33/87/868033387.db2.gz FRPIFRZYSVJPOM-UHFFFAOYSA-N -1 0 392.165 3.789 20 5 GHBDRM O=C(Cc1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1)Nc1cccc2ccccc21 ZINC000445341038 868289662 /nfs/dbraw/zinc/28/96/62/868289662.db2.gz KBKRBANGCSXTEZ-UHFFFAOYSA-N -1 0 390.355 3.685 20 5 GHBDRM CCCCCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000744132561 868611048 /nfs/dbraw/zinc/61/10/48/868611048.db2.gz PQNBBSPBJQMFQV-HNNXBMFYSA-N -1 0 376.500 3.848 20 5 GHBDRM Cc1ccc([C@H](C)NC(=O)N=c2[n-]nc(-c3ccccc3)s2)cc1[N+](=O)[O-] ZINC000479982455 868857310 /nfs/dbraw/zinc/85/73/10/868857310.db2.gz OEYNAFXIFAEWIL-LBPRGKRZSA-N -1 0 383.433 3.726 20 5 GHBDRM COc1cc(OC)cc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)n2)c1 ZINC000462840590 870171654 /nfs/dbraw/zinc/17/16/54/870171654.db2.gz MOFKKKKPDXLLLH-UHFFFAOYSA-N -1 0 395.371 3.632 20 5 GHBDRM COc1cc(OC)cc(-c2cccc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])n2)c1 ZINC000462851065 870200826 /nfs/dbraw/zinc/20/08/26/870200826.db2.gz HZNUONUWRZJHKW-UHFFFAOYSA-N -1 0 395.371 3.632 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1c(-c2ccco2)nc2ccccn21 ZINC000446726842 870271148 /nfs/dbraw/zinc/27/11/48/870271148.db2.gz RKTVZPLDOCVEBW-UHFFFAOYSA-N -1 0 398.400 3.612 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]Cc2ccc3occc3c2)c1 ZINC001192294617 870271473 /nfs/dbraw/zinc/27/14/73/870271473.db2.gz NWQVZZDRFIOJMB-UHFFFAOYSA-N -1 0 384.772 3.612 20 5 GHBDRM C[C@@H](NC(=O)c1cc(Br)cc(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000462883467 870297551 /nfs/dbraw/zinc/29/75/51/870297551.db2.gz LTAMBUAAJQSPFG-SECBINFHSA-N -1 0 393.193 3.547 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cccc3nc4ccccc4nc23)cnc1Cl ZINC001192572510 870550189 /nfs/dbraw/zinc/55/01/89/870550189.db2.gz YXCGIPKZTISDKB-UHFFFAOYSA-N -1 0 384.848 3.941 20 5 GHBDRM CC1(C)[C@@H](c2ccccc2)[C@@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001192830247 870702145 /nfs/dbraw/zinc/70/21/45/870702145.db2.gz 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CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000443423364 872528778 /nfs/dbraw/zinc/52/87/78/872528778.db2.gz QKDGBRCYZJBHTN-UHFFFAOYSA-N -1 0 389.355 3.933 20 5 GHBDRM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000619467173 872662368 /nfs/dbraw/zinc/66/23/68/872662368.db2.gz RMZLDFFWQUEKJE-LBPRGKRZSA-N -1 0 380.422 3.582 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCCC(C)C)cc1 ZINC000619467402 872662643 /nfs/dbraw/zinc/66/26/43/872662643.db2.gz FWGCYFSMKQDUQN-UHFFFAOYSA-N -1 0 394.449 3.829 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)cc1 ZINC000619466718 872662726 /nfs/dbraw/zinc/66/27/26/872662726.db2.gz LVFJKCUSWAGPCJ-UHFFFAOYSA-N -1 0 392.433 3.726 20 5 GHBDRM CCSCc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000619467352 872662776 /nfs/dbraw/zinc/66/27/76/872662776.db2.gz BSRDNDGFNRLRQW-UHFFFAOYSA-N -1 0 382.463 3.657 20 5 GHBDRM CCCn1ccc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3OC)cc21 ZINC000619467607 872663762 /nfs/dbraw/zinc/66/37/62/872663762.db2.gz RWNMXTPGEYLTFJ-UHFFFAOYSA-N -1 0 389.433 3.769 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(-c2cccnc2)ccc1C ZINC000619468160 872664053 /nfs/dbraw/zinc/66/40/53/872664053.db2.gz AULORGMBIZKSHF-UHFFFAOYSA-N -1 0 399.428 3.775 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cnn(Cc2ccccc2Cl)c1 ZINC000619522115 872722389 /nfs/dbraw/zinc/72/23/89/872722389.db2.gz YODWVTHHWXQLBY-WAYWQWQTSA-N -1 0 384.779 3.757 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1c(F)ccc(Br)c1F ZINC000443449416 872759525 /nfs/dbraw/zinc/75/95/25/872759525.db2.gz ANLKPSGSHMRWMA-RJRFIUFISA-N -1 0 385.120 3.899 20 5 GHBDRM CCSCc1ccnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000191908140 882662721 /nfs/dbraw/zinc/66/27/21/882662721.db2.gz XQBSLAHAIYWOQW-UHFFFAOYSA-N -1 0 381.479 3.661 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCCCC2)cc1 ZINC000921205722 882718144 /nfs/dbraw/zinc/71/81/44/882718144.db2.gz HPNBYXGGGWNZDK-UHFFFAOYSA-N -1 0 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COc1cc(S(=O)(=O)[N-]c2nc3c(s2)CCCCCC3)ccc1[N+](=O)[O-] ZINC000469339953 929800509 /nfs/dbraw/zinc/80/05/09/929800509.db2.gz FWVILWZXNMZMNW-UHFFFAOYSA-N -1 0 397.478 3.520 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2OC(F)F)c([N+](=O)[O-])c1 ZINC000546534869 930246159 /nfs/dbraw/zinc/24/61/59/930246159.db2.gz ILOVRVKXEWGZDW-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000759074895 930265618 /nfs/dbraw/zinc/26/56/18/930265618.db2.gz CNDHYTLOVPECPJ-UHFFFAOYSA-N -1 0 394.302 3.568 20 5 GHBDRM CCCC[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000546745607 930396598 /nfs/dbraw/zinc/39/65/98/930396598.db2.gz FYKMMYDIKDSJLZ-QGZVFWFLSA-N -1 0 385.420 3.580 20 5 GHBDRM O=C(Nc1ccc(OC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1)c1cccs1 ZINC000781071146 930692237 /nfs/dbraw/zinc/69/22/37/930692237.db2.gz RCWDNEXURHGABD-UHFFFAOYSA-N -1 0 384.369 3.833 20 5 GHBDRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(Br)c1 ZINC000782265170 931148170 /nfs/dbraw/zinc/14/81/70/931148170.db2.gz QVYNSDQHDTWLDO-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000784584900 931948920 /nfs/dbraw/zinc/94/89/20/931948920.db2.gz AROIEEAAAXIONI-UHFFFAOYSA-N -1 0 398.440 3.531 20 5 GHBDRM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000559049447 932396313 /nfs/dbraw/zinc/39/63/13/932396313.db2.gz LKJMBOWULFUDBP-UHFFFAOYSA-N -1 0 384.219 3.678 20 5 GHBDRM O=C(Nc1ccc(F)cc1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798154488 932547199 /nfs/dbraw/zinc/54/71/99/932547199.db2.gz GUPGWTYKYOHPED-UHFFFAOYSA-N -1 0 376.731 3.531 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)c([N+](=O)[O-])c1 ZINC000798158975 932548802 /nfs/dbraw/zinc/54/88/02/932548802.db2.gz GBUYIBQGDLUMRC-UHFFFAOYSA-N -1 0 399.384 3.556 20 5 GHBDRM CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000560689208 933461074 /nfs/dbraw/zinc/46/10/74/933461074.db2.gz APENWJJRAGQTIA-UHFFFAOYSA-N -1 0 394.431 3.541 20 5 GHBDRM C[C@H](NC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000564627495 939345297 /nfs/dbraw/zinc/34/52/97/939345297.db2.gz YUNOTHVOKXDRNN-DJJJIMSYSA-N -1 0 393.399 3.934 20 5 GHBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001589656334 949821681 /nfs/dbraw/zinc/82/16/81/949821681.db2.gz XMTHLYBFWVVMAH-DOMZBBRYSA-N -1 0 380.466 3.670 20 5 GHBDRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001594806330 953781210 /nfs/dbraw/zinc/78/12/10/953781210.db2.gz GGGBNBFEJNZSIJ-KRWDZBQOSA-N -1 0 379.372 3.565 20 5 GHBDRM O=C(/C=C\c1ccc(C(=O)[O-])o1)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC001594674646 956648026 /nfs/dbraw/zinc/64/80/26/956648026.db2.gz RAGYIAPHNBOXOV-QIBOZCLASA-N -1 0 394.339 3.627 20 5 GHBDRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001594387399 958688899 /nfs/dbraw/zinc/68/88/99/958688899.db2.gz GBDGZKVOIULRKE-JTQLQIEISA-N -1 0 378.768 3.661 20 5 GHBDRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c2ccccc21 ZINC001605743429 972387452 /nfs/dbraw/zinc/38/74/52/972387452.db2.gz KQUJXKSJSXRTQE-SWLSCSKDSA-N -1 0 394.305 3.657 20 5 GHBDRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001594215160 959321123 /nfs/dbraw/zinc/32/11/23/959321123.db2.gz GQURFJDBYSWWNE-RDTXWAMCSA-N -1 0 397.431 3.675 20 5 GHBDRM CC(C)(C)CC[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)[O-] ZINC001588647117 959743980 /nfs/dbraw/zinc/74/39/80/959743980.db2.gz BXOKVEDYKPRJGP-GOSISDBHSA-N -1 0 380.444 3.691 20 5 GHBDRM CC[C@@H](NC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001573931518 961578338 /nfs/dbraw/zinc/57/83/38/961578338.db2.gz YQGJKZXCBVZCQE-RCCFBDPRSA-N -1 0 383.404 3.658 20 5 GHBDRM O=C([O-])[C@@H]1C[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC001574524983 961873510 /nfs/dbraw/zinc/87/35/10/961873510.db2.gz ALXDENJEIANJOW-WBVHZDCISA-N -1 0 388.807 3.610 20 5 GHBDRM C[C@H]1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC000263024319 962134137 /nfs/dbraw/zinc/13/41/37/962134137.db2.gz QLSXJAMHRBBGJW-XJKSGUPXSA-N -1 0 383.404 3.521 20 5 GHBDRM O=C([O-])[C@@H]1CN(c2c(Br)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC001574662026 962495728 /nfs/dbraw/zinc/49/57/28/962495728.db2.gz WPSOVIGUEODCNP-GFCCVEGCSA-N -1 0 377.194 3.546 20 5 GHBDRM CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(=O)[O-])c1 ZINC001591788106 975967736 /nfs/dbraw/zinc/96/77/36/975967736.db2.gz MFEQIKQOMAAWDA-UHFFFAOYSA-N -1 0 378.768 3.986 20 5 GHBDRM CC(C)c1ncsc1NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001592042745 976770892 /nfs/dbraw/zinc/77/08/92/976770892.db2.gz SYIPAUXFTLKVRK-UHFFFAOYSA-N -1 0 395.462 3.994 20 5 GHBDRM CC[C@H](CNC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)CC(F)(F)F ZINC001595152225 979646977 /nfs/dbraw/zinc/64/69/77/979646977.db2.gz IHCXISJXGYQEIV-VIFPVBQESA-N -1 0 377.319 3.702 20 5 GHBDRM 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Cc1c(Br)cc(C(=O)Nc2ccsc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001599970970 986005173 /nfs/dbraw/zinc/00/51/73/986005173.db2.gz RVCWUAWUMMJOGO-UHFFFAOYSA-N -1 0 385.195 3.678 20 5 GHBDRM Cc1c(Br)ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1F ZINC001599971293 986011117 /nfs/dbraw/zinc/01/11/17/986011117.db2.gz BRWPFYKDUCAVGO-UHFFFAOYSA-N -1 0 397.156 3.755 20 5 GHBDRM C[C@@H](C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccc([N+](=O)[O-])cc1F ZINC001589444911 986804689 /nfs/dbraw/zinc/80/46/89/986804689.db2.gz SVAVGGDLYSEFPZ-SSDOTTSWSA-N -1 0 379.369 3.508 20 5 GHBDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)c1ccccc1 ZINC001589458446 986903333 /nfs/dbraw/zinc/90/33/33/986903333.db2.gz OAXQBLKBLWWWFR-KZULUSFZSA-N -1 0 394.387 3.727 20 5 GHBDRM CCc1c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cnn1C1CCCC1 ZINC001597411439 987699786 /nfs/dbraw/zinc/69/97/86/987699786.db2.gz ANDBZWILLVJZAV-UHFFFAOYSA-N -1 0 386.408 3.728 20 5 GHBDRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001589704168 987807887 /nfs/dbraw/zinc/80/78/87/987807887.db2.gz CPHIVZLMWPNQOY-KRWDZBQOSA-N -1 0 385.420 3.958 20 5 GHBDRM CCc1cc(C(=O)[O-])c(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)s1 ZINC001597444038 987812621 /nfs/dbraw/zinc/81/26/21/987812621.db2.gz XPCSNQRBVUASJU-UHFFFAOYSA-N -1 0 375.406 3.507 20 5 GHBDRM CCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC001597499964 988052245 /nfs/dbraw/zinc/05/22/45/988052245.db2.gz ATMWEYVUASTYPE-LJQANCHMSA-N -1 0 378.384 3.866 20 5 GHBDRM CSc1ccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001599815403 988414375 /nfs/dbraw/zinc/41/43/75/988414375.db2.gz JRNAVZVIYRABNY-UHFFFAOYSA-N -1 0 390.417 3.731 20 5 GHBDRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001597591861 988417538 /nfs/dbraw/zinc/41/75/38/988417538.db2.gz KFFBSRVOPJCILF-UHFFFAOYSA-N -1 0 393.193 3.870 20 5 GHBDRM CC(C)(C)OC(=O)CC1([NH2+]Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCCCC1 ZINC001589866307 988468564 /nfs/dbraw/zinc/46/85/64/988468564.db2.gz DKCPBORGOPSVEJ-UHFFFAOYSA-N -1 0 392.452 3.817 20 5 GHBDRM CC(C)(C)OC(=O)N[C@@H]1C[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCC2 ZINC001590137953 989389244 /nfs/dbraw/zinc/38/92/44/989389244.db2.gz CBIOWIAMHSVELZ-LSDHHAIUSA-N -1 0 391.424 3.541 20 5 GHBDRM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCC2 ZINC001590137952 989389895 /nfs/dbraw/zinc/38/98/95/989389895.db2.gz CBIOWIAMHSVELZ-HUUCEWRRSA-N -1 0 391.424 3.541 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)cc1[N+](=O)[O-] ZINC001590481616 990075132 /nfs/dbraw/zinc/07/51/32/990075132.db2.gz KSSKKPXEXCWTEP-UHFFFAOYSA-N -1 0 382.376 3.719 20 5 GHBDRM CN(Cc1ccccc1Br)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598530046 992768349 /nfs/dbraw/zinc/76/83/49/992768349.db2.gz YITLLXBRMKZFDM-UHFFFAOYSA-N -1 0 379.210 3.688 20 5 GHBDRM CN(c1ccccc1)[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001598545215 992938094 /nfs/dbraw/zinc/93/80/94/992938094.db2.gz WEBZUWDVANVRPD-ZDUSSCGKSA-N -1 0 375.812 3.662 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001599622087 994098168 /nfs/dbraw/zinc/09/81/68/994098168.db2.gz PZTVJTXSACHHPX-CQSZACIVSA-N -1 0 399.277 3.762 20 5 GHBDRM C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)c1cc(C(=O)[O-])co1 ZINC001593585874 995704766 /nfs/dbraw/zinc/70/47/66/995704766.db2.gz SWPQWFOSFAPUEE-ZETCQYMHSA-N -1 0 384.138 3.567 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001593667721 996059200 /nfs/dbraw/zinc/05/92/00/996059200.db2.gz RVBHTMUTRZQIRJ-MRVPVSSYSA-N -1 0 382.344 3.691 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001593668014 996060769 /nfs/dbraw/zinc/06/07/69/996060769.db2.gz WDIRNSUDLAPMEB-JTQLQIEISA-N -1 0 385.401 3.894 20 5 GHBDRM C[C@H](c1cc(F)ccc1F)N(C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593688084 996129789 /nfs/dbraw/zinc/12/97/89/996129789.db2.gz ZMSMKHWGFPGUJG-LLVKDONJSA-N -1 0 380.347 3.529 20 5 GHBDRM COc1cc(C)c(CN(C)c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])cc1OC ZINC001599391187 997040269 /nfs/dbraw/zinc/04/02/69/997040269.db2.gz JZCLKDUPYKNZNN-UHFFFAOYSA-N -1 0 394.811 3.908 20 5 GHBDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1 ZINC001599511742 997308401 /nfs/dbraw/zinc/30/84/01/997308401.db2.gz PKFGLCXNCJMNED-MRXNPFEDSA-N -1 0 387.392 3.558 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1[C@@H]1NC(=O)N(Cc2ccccc2)C(C)=C1C(=O)[O-] ZINC001594097882 998074724 /nfs/dbraw/zinc/07/47/24/998074724.db2.gz IHALWDSCFGGNAJ-SFHVURJKSA-N -1 0 381.388 3.528 20 5 GHBDRM COc1cc(OC)cc([C@H](C(=O)[O-])N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC001599450537 998087933 /nfs/dbraw/zinc/08/79/33/998087933.db2.gz QIMAJTFCCTUGDW-QGZVFWFLSA-N -1 0 394.811 3.523 20 5 GHBDRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1O ZINC001599362664 998286191 /nfs/dbraw/zinc/28/61/91/998286191.db2.gz QGFLXELZBJWSJU-UHFFFAOYSA-N -1 0 388.376 3.557 20 5 GHBDRM CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Oc2ccc(C(=O)[O-])cc2)CC1 ZINC001594435075 999615106 /nfs/dbraw/zinc/61/51/06/999615106.db2.gz MQEXTNSXZLGFAC-UHFFFAOYSA-N -1 0 384.388 3.749 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000469146163 1016556934 /nfs/dbraw/zinc/55/69/34/1016556934.db2.gz ZWSMEJBRCPBUND-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM O=C(NCc1cccc(COCc2ccccc2)c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000557647722 1017025441 /nfs/dbraw/zinc/02/54/41/1017025441.db2.gz QMJPAOWJBPBTSV-UHFFFAOYSA-N -1 0 392.411 3.947 20 5 GHBDRM O=[N+]([O-])c1nc(Br)ccc1OC(=C([O-])c1ccco1)c1ccco1 ZINC001227256484 1032344587 /nfs/dbraw/zinc/34/45/87/1032344587.db2.gz IVUUNUKSHAEZES-AWEZNQCLSA-N -1 0 393.149 3.941 20 5 GHBDRM CC1(C)COC(=O)[C@@H]1Oc1ccc2c(c1)oc1c2c(=O)oc2cc([O-])ccc12 ZINC001227516261 1032448663 /nfs/dbraw/zinc/44/86/63/1032448663.db2.gz AQOZJEDFNGBRAD-SFHVURJKSA-N -1 0 380.352 3.728 20 5 GHBDRM CSc1nc(O[C@@H](C)c2c(Cl)cncc2Cl)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227629322 1032492469 /nfs/dbraw/zinc/49/24/69/1032492469.db2.gz VDLDHJDWOVUKHH-YFKPBYRVSA-N -1 0 377.209 3.654 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000754839609 1022924700 /nfs/dbraw/zinc/92/47/00/1022924700.db2.gz GSLJLUJERBDBCR-UHFFFAOYSA-N -1 0 396.787 3.578 20 5 GHBDRM COc1ccccc1OC[C@@H](C)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228859660 1033143199 /nfs/dbraw/zinc/14/31/99/1033143199.db2.gz MQZOMJOSYAEZQT-SECBINFHSA-N -1 0 388.298 3.569 20 5 GHBDRM O=C([O-])[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Br ZINC000756347190 1023599852 /nfs/dbraw/zinc/59/98/52/1023599852.db2.gz GJFXXUZOWMNWDT-AWEZNQCLSA-N -1 0 399.628 3.926 20 5 GHBDRM CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](Oc2cc(O)cc([O-])c2[N+](=O)[O-])CC1 ZINC001228970211 1033208562 /nfs/dbraw/zinc/20/85/62/1033208562.db2.gz HKPKYRYISNAIBY-AULYBMBSSA-N -1 0 382.413 3.563 20 5 GHBDRM O=C([O-])c1ccc(Nc2cccc(I)c2)cc1[N+](=O)[O-] ZINC000163941392 1026575005 /nfs/dbraw/zinc/57/50/05/1026575005.db2.gz PWPVKOIIHXCYAB-UHFFFAOYSA-N -1 0 384.129 3.641 20 5 GHBDRM CC(C)(C)OC(=O)Nc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC001166609803 1027040127 /nfs/dbraw/zinc/04/01/27/1027040127.db2.gz MYEWECCHRGTRGH-UHFFFAOYSA-N -1 0 387.392 3.577 20 5 GHBDRM COC(=O)c1cc(Br)c(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1C ZINC001210398545 1027490444 /nfs/dbraw/zinc/49/04/44/1027490444.db2.gz HXGCMXLOQPZJLN-UHFFFAOYSA-N -1 0 381.182 3.902 20 5 GHBDRM COC(=O)Cc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(Br)c1 ZINC001210399487 1027490475 /nfs/dbraw/zinc/49/04/75/1027490475.db2.gz UJWGGDHMVMZONG-UHFFFAOYSA-N -1 0 381.182 3.522 20 5 GHBDRM O=C(Nc1nc(CN2CCCCC2)cs1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001142033404 1027924638 /nfs/dbraw/zinc/92/46/38/1027924638.db2.gz DDRXKHHZLWLZKS-UHFFFAOYSA-N -1 0 396.856 3.649 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)c([N+](=O)[O-])c1 ZINC001214174008 1028581742 /nfs/dbraw/zinc/58/17/42/1028581742.db2.gz IZTWNJYPTOSLMU-UHFFFAOYSA-N -1 0 376.221 3.593 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1-c1nc(-c2ccc(F)cc2Br)no1 ZINC001216678373 1029727987 /nfs/dbraw/zinc/72/79/87/1029727987.db2.gz ALZPQDSCYHAYCR-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM COc1cccc(-c2noc(-c3cccc([N+](=O)[O-])c3[O-])n2)c1Br ZINC001216700717 1029734634 /nfs/dbraw/zinc/73/46/34/1029734634.db2.gz JNNLPIZJGHQHRI-UHFFFAOYSA-N -1 0 392.165 3.789 20 5 GHBDRM COc1cc(F)c(F)cc1-c1noc(-c2cc([O-])c(Cl)cc2[N+](=O)[O-])n1 ZINC001217101282 1030165832 /nfs/dbraw/zinc/16/58/32/1030165832.db2.gz OWXUQGLIPTWIJX-UHFFFAOYSA-N -1 0 383.694 3.958 20 5 GHBDRM COc1ccc(-c2noc(-c3cc([O-])c(Cl)cc3[N+](=O)[O-])n2)cc1OC ZINC001217100882 1030165896 /nfs/dbraw/zinc/16/58/96/1030165896.db2.gz DFOXMTSMYFCZDC-UHFFFAOYSA-N -1 0 377.740 3.688 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c([O-])cc1-c1nc(-c2cncc(Br)c2)no1 ZINC001217101797 1030168024 /nfs/dbraw/zinc/16/80/24/1030168024.db2.gz ZPAYHFAEYYUUCF-UHFFFAOYSA-N -1 0 397.572 3.828 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC(Cc2ccccc2OC(F)(F)F)C1 ZINC001149421928 1030170126 /nfs/dbraw/zinc/17/01/26/1030170126.db2.gz HSRWXRNSEJRQFY-UHFFFAOYSA-N -1 0 396.321 3.514 20 5 GHBDRM CCOc1ccc(-c2noc(-c3c[n-]c4ccc([N+](=O)[O-])cc4c3=O)n2)cc1 ZINC001217438487 1030392099 /nfs/dbraw/zinc/39/20/99/1030392099.db2.gz MICTWYXJJKPQER-UHFFFAOYSA-N -1 0 378.344 3.552 20 5 GHBDRM Cc1ncc(Cl)cc1-c1noc(-c2cc(=O)c3cc([N+](=O)[O-])ccc3[n-]2)n1 ZINC001217511927 1030454435 /nfs/dbraw/zinc/45/44/35/1030454435.db2.gz KESKFWLWFIWMDQ-UHFFFAOYSA-N -1 0 383.751 3.510 20 5 GHBDRM CC[C@@](O)(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(Cl)c1 ZINC001152449407 1031247933 /nfs/dbraw/zinc/24/79/33/1031247933.db2.gz ZQZANRRGPRIGCU-INIZCTEOSA-N -1 0 385.203 3.844 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1O[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001225490304 1031436996 /nfs/dbraw/zinc/43/69/96/1031436996.db2.gz GVTCMQWSISBMCB-CQSZACIVSA-N -1 0 379.210 3.721 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCOc2ccc(Br)cc21 ZINC001153456213 1031599273 /nfs/dbraw/zinc/59/92/73/1031599273.db2.gz VGEIDDIQKUDIMX-LLVKDONJSA-N -1 0 393.193 3.568 20 5 GHBDRM O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1OC(=C([O-])c1ccco1)c1ccco1 ZINC001225888996 1031676427 /nfs/dbraw/zinc/67/64/27/1031676427.db2.gz IZWYPWOFZPBCGZ-INIZCTEOSA-N -1 0 376.252 3.831 20 5 GHBDRM COC(=O)c1ccc(C)c([N+](=O)[O-])c1OC(=C([O-])c1ccco1)c1ccco1 ZINC001229899704 1033782917 /nfs/dbraw/zinc/78/29/17/1033782917.db2.gz NZXVNFQKKISXFG-GOSISDBHSA-N -1 0 385.328 3.879 20 5 GHBDRM C[C@@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])c1c(F)c(F)c(F)c(F)c1F ZINC001231072977 1034378438 /nfs/dbraw/zinc/37/84/38/1034378438.db2.gz XBNIAXMOQQGCIR-UWTATZPHSA-N -1 0 385.632 3.579 20 5 GHBDRM C[C@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC001231075875 1034381667 /nfs/dbraw/zinc/38/16/67/1034381667.db2.gz IMGPZXCBJQVROE-YFKPBYRVSA-N -1 0 392.568 3.785 20 5 GHBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@H](C(=O)OCc2ccccc2)c2ccccc2)[n-]1 ZINC001231261029 1034489587 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NGWFRTSVIZHDEA-MRVPVSSYSA-N -1 0 387.870 3.630 20 5 GHBDRM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001462326764 1070174118 /nfs/dbraw/zinc/17/41/18/1070174118.db2.gz RJRUVYPKJYCRIC-SECBINFHSA-N -1 0 388.327 3.569 20 5 GHBDRM O=C(c1cc(Cl)cc(Br)c1[O-])N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001252719883 1039095769 /nfs/dbraw/zinc/09/57/69/1039095769.db2.gz IOMUUVCEZLFPMU-UHFFFAOYSA-N -1 0 397.612 3.872 20 5 GHBDRM O=C(NCc1ccc(Br)cc1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001291906349 1043524842 /nfs/dbraw/zinc/52/48/42/1043524842.db2.gz ZWRPCWAHEFCJOH-UHFFFAOYSA-N -1 0 385.601 3.646 20 5 GHBDRM CC(C)(Cc1ccc(Br)cc1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001292716424 1043846123 /nfs/dbraw/zinc/84/61/23/1043846123.db2.gz DGNRUWAVFYAOKH-UHFFFAOYSA-N -1 0 393.237 3.814 20 5 GHBDRM CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001293251345 1044075393 /nfs/dbraw/zinc/07/53/93/1044075393.db2.gz AQMRUYNDBIFWID-INIZCTEOSA-N -1 0 376.384 3.663 20 5 GHBDRM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccn(C2CCCCC2)n1 ZINC001320791101 1055963183 /nfs/dbraw/zinc/96/31/83/1055963183.db2.gz SYFQURMFSUWHOF-UHFFFAOYSA-N -1 0 382.417 3.545 20 5 GHBDRM C[C@@H](OC(=O)c1ccc([O-])c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000848949639 1057450718 /nfs/dbraw/zinc/45/07/18/1057450718.db2.gz AEDIFEOCHYNSCW-MRVPVSSYSA-N -1 0 399.186 3.791 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2c(s1)C[C@@H](C)CC2 ZINC001338378076 1058537110 /nfs/dbraw/zinc/53/71/10/1058537110.db2.gz MHVWDAFPZNWJIF-JTQLQIEISA-N -1 0 381.479 3.539 20 5 GHBDRM COc1ccc(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3[O-])s2)cc1 ZINC001445430588 1059527681 /nfs/dbraw/zinc/52/76/81/1059527681.db2.gz RUXDOZYFBXZATP-UHFFFAOYSA-N -1 0 384.413 3.968 20 5 GHBDRM CC[C@@H]1CC[C@H](C)N(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])C1 ZINC001449481247 1060411492 /nfs/dbraw/zinc/41/14/92/1060411492.db2.gz UNHJDVAFDBHZNW-NWDGAFQWSA-N -1 0 392.843 3.790 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1ccc(-c2ccco2)cc1F ZINC001463647285 1064525331 /nfs/dbraw/zinc/52/53/31/1064525331.db2.gz CXQQDMOBTKIYFM-UHFFFAOYSA-N -1 0 394.355 3.612 20 5 GHBDRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001463700625 1064556809 /nfs/dbraw/zinc/55/68/09/1064556809.db2.gz DLTGQHVBHAZXQB-UHFFFAOYSA-N -1 0 396.230 3.570 20 5 GHBDRM O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001464305431 1064949284 /nfs/dbraw/zinc/94/92/84/1064949284.db2.gz XCCLHLARNNYXGS-UHFFFAOYSA-N -1 0 391.355 3.878 20 5 GHBDRM Cc1sc(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])nc1-c1ccccc1 ZINC001465296217 1065530948 /nfs/dbraw/zinc/53/09/48/1065530948.db2.gz HKFNSXUQORJIAH-UHFFFAOYSA-N -1 0 383.429 3.705 20 5 GHBDRM O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1cccc([N+](=O)[O-])c1[O-] ZINC001466979016 1066424542 /nfs/dbraw/zinc/42/45/42/1066424542.db2.gz RHUKTEJCMSLBHR-UHFFFAOYSA-N -1 0 394.771 3.864 20 5 GHBDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)NCCc3ccccc3[N+](=O)[O-])n2)c1 ZINC001467661180 1067404898 /nfs/dbraw/zinc/40/48/98/1067404898.db2.gz KIRGTZMUCVRLDL-UHFFFAOYSA-N -1 0 394.431 3.582 20 5 GHBDRM C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1C ZINC001473594892 1074038298 /nfs/dbraw/zinc/03/82/98/1074038298.db2.gz JZZZUXWVRUONKY-IIAWOOMASA-N -1 0 393.484 3.814 20 5 GHBDRM CCOc1ccc(C[C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C(=O)[O-])cc1 ZINC000737205863 599707446 /nfs/dbraw/zinc/70/74/46/599707446.db2.gz SOEBTGCTUCHYSZ-OAHLLOKOSA-N -1 0 395.415 3.897 20 5 GHBDRM Cc1nc(COc2ccc(Nc3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])cc2)no1 ZINC000738856772 599854702 /nfs/dbraw/zinc/85/47/02/599854702.db2.gz AMIMFJTVYZZYKN-YCRREMRBSA-N -1 0 396.359 3.707 20 5 GHBDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000738201698 599886455 /nfs/dbraw/zinc/88/64/55/599886455.db2.gz UUNPOTVIIWCROA-MRXNPFEDSA-N -1 0 389.433 3.963 20 5 GHBDRM O=C([O-])CCSCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)c1 ZINC000739753173 600067361 /nfs/dbraw/zinc/06/73/61/600067361.db2.gz DBYOMZMLGLNCKT-UHFFFAOYSA-N -1 0 378.381 3.694 20 5 GHBDRM Cc1cc(C)cc([C@H](C)Nc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000738363849 600167381 /nfs/dbraw/zinc/16/73/81/600167381.db2.gz NONMNSBTEVHCBX-KBPBESRZSA-N -1 0 385.420 3.588 20 5 GHBDRM O=C([O-])[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000739336775 600324751 /nfs/dbraw/zinc/32/47/51/600324751.db2.gz DUYFQDMJELRYCK-HNNXBMFYSA-N -1 0 381.793 3.709 20 5 GHBDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000737873165 600381243 /nfs/dbraw/zinc/38/12/43/600381243.db2.gz QNTVPJJTQSKQBR-CLTKARDFSA-N -1 0 391.763 3.503 20 5 GHBDRM O=C([O-])c1ccc(CCC(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000739261372 600389769 /nfs/dbraw/zinc/38/97/69/600389769.db2.gz RTGOFUONVCXZLB-UHFFFAOYSA-N -1 0 396.355 3.624 20 5 GHBDRM Cc1cc(C)c(NC(=O)COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(Cl)c1 ZINC000738359468 600444916 /nfs/dbraw/zinc/44/49/16/600444916.db2.gz SZUWUIPYJSWFLX-UHFFFAOYSA-N -1 0 378.768 3.581 20 5 GHBDRM CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000737257383 600462254 /nfs/dbraw/zinc/46/22/54/600462254.db2.gz NTVPGEVQLVTHCT-STQMWFEESA-N -1 0 386.404 3.500 20 5 GHBDRM O=C([O-])c1cc(NC(=O)[C@@H](OC2CCCC2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000740080133 600542660 /nfs/dbraw/zinc/54/26/60/600542660.db2.gz CKWWGSMAHSQTRU-SFHVURJKSA-N -1 0 384.388 3.932 20 5 GHBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(NC(=O)[O-])c(O)c1 ZINC000827058303 600730891 /nfs/dbraw/zinc/73/08/91/600730891.db2.gz AYTYQKOVEWGSSX-UHFFFAOYSA-N -1 0 390.348 3.535 20 5 GHBDRM COc1ccc(-c2ncc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)s2)cc1 ZINC000832134104 600889732 /nfs/dbraw/zinc/88/97/32/600889732.db2.gz KUXMUWUNROFMQG-UHFFFAOYSA-N -1 0 399.384 3.677 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000262354256 600929511 /nfs/dbraw/zinc/92/95/11/600929511.db2.gz BYWAFHMVCOPMKQ-CYBMUJFWSA-N -1 0 386.429 3.547 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCO[C@H](c3ccc(F)cc3)C2)cc1Cl ZINC000740096747 600942945 /nfs/dbraw/zinc/94/29/45/600942945.db2.gz POGXFGMCPRFVBK-INIZCTEOSA-N -1 0 380.759 3.663 20 5 GHBDRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000832847932 600978091 /nfs/dbraw/zinc/97/80/91/600978091.db2.gz DQJJUPPIHIGADW-UHFFFAOYSA-N -1 0 379.166 3.616 20 5 GHBDRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000832850721 600978730 /nfs/dbraw/zinc/97/87/30/600978730.db2.gz SXQNWERTLIAREH-UHFFFAOYSA-N -1 0 393.193 3.925 20 5 GHBDRM O=C([O-])c1cc(C(=O)Nc2cc(Cl)ccc2NC2CC2)cc([N+](=O)[O-])c1 ZINC000833298413 601001593 /nfs/dbraw/zinc/00/15/93/601001593.db2.gz UIXSWBZEHRABCP-UHFFFAOYSA-N -1 0 375.768 3.773 20 5 GHBDRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000833299225 601150728 /nfs/dbraw/zinc/15/07/28/601150728.db2.gz OMKBEEKRKPEXED-UHFFFAOYSA-N -1 0 399.584 3.961 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000540664585 601587183 /nfs/dbraw/zinc/58/71/83/601587183.db2.gz BCXOZIGMASHNJM-BMIGLBTASA-N -1 0 394.836 3.671 20 5 GHBDRM Cc1ccc([C@H](C)NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000262096387 601624789 /nfs/dbraw/zinc/62/47/89/601624789.db2.gz IMQBAZDYAJCINQ-STQMWFEESA-N -1 0 388.445 3.959 20 5 GHBDRM O=C([O-])c1ccc(OC(=O)CCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000833102965 601658775 /nfs/dbraw/zinc/65/87/75/601658775.db2.gz YHVNUQDZHLKCCE-UHFFFAOYSA-N -1 0 394.177 3.594 20 5 GHBDRM COc1ccc(OC(F)F)c(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000832431018 601680365 /nfs/dbraw/zinc/68/03/65/601680365.db2.gz KMZGXMZEHQAUAB-XVNBXDOJSA-N -1 0 394.330 3.915 20 5 GHBDRM CC[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000485868839 601749234 /nfs/dbraw/zinc/74/92/34/601749234.db2.gz KKLOQNGWXNXOEZ-ZDUSSCGKSA-N -1 0 378.768 3.634 20 5 GHBDRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000833132247 601901730 /nfs/dbraw/zinc/90/17/30/601901730.db2.gz YXRSWMDGECFCDH-RISCZKNCSA-N -1 0 399.241 3.511 20 5 GHBDRM O=C([O-])Nc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc(C(F)(F)F)c1 ZINC000833281278 601991157 /nfs/dbraw/zinc/99/11/57/601991157.db2.gz ICDBWOQYACUCOI-UHFFFAOYSA-N -1 0 383.282 3.634 20 5 GHBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000426686890 602245279 /nfs/dbraw/zinc/24/52/79/602245279.db2.gz HLHBGTKMYGNJKA-SECBINFHSA-N -1 0 380.809 3.602 20 5 GHBDRM Cc1cc(N[C@H](C)c2ccc(N3CCCC3=O)cc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897555 602315195 /nfs/dbraw/zinc/31/51/95/602315195.db2.gz SMIOONUVCKSAET-CYBMUJFWSA-N -1 0 383.404 3.901 20 5 GHBDRM Cc1cc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832888861 602318020 /nfs/dbraw/zinc/31/80/20/602318020.db2.gz MJDIPQMUNMPFBN-LJQANCHMSA-N -1 0 388.395 3.691 20 5 GHBDRM Cc1cccc(C(=O)NC[C@H](NC(=O)[O-])c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000740162500 602361391 /nfs/dbraw/zinc/36/13/91/602361391.db2.gz LYPSMVUCPCDVQW-KRWDZBQOSA-N -1 0 385.420 3.765 20 5 GHBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739703822 602483356 /nfs/dbraw/zinc/48/33/56/602483356.db2.gz GHIZMXSQUMHIQZ-UHFFFAOYSA-N -1 0 381.747 3.749 20 5 GHBDRM CSc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])cc1[N+](=O)[O-] ZINC000740016720 602506717 /nfs/dbraw/zinc/50/67/17/602506717.db2.gz UIMAENKMEBXIQY-UHFFFAOYSA-N -1 0 387.417 4.000 20 5 GHBDRM O=C([O-])Nc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000740715725 602626022 /nfs/dbraw/zinc/62/60/22/602626022.db2.gz NULMCJYGGRHLGF-UHFFFAOYSA-N -1 0 380.154 3.700 20 5 GHBDRM O=C([O-])Nc1cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000740695237 603008017 /nfs/dbraw/zinc/00/80/17/603008017.db2.gz GJNCCRDEXIOKSR-UHFFFAOYSA-N -1 0 375.356 3.577 20 5 GHBDRM O=C([O-])N1CCc2c(cccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000740473287 603182135 /nfs/dbraw/zinc/18/21/35/603182135.db2.gz DSJVPWNWHZKLND-UHFFFAOYSA-N -1 0 375.768 3.537 20 5 GHBDRM Cc1cc(C(=O)N(c2ccc(CNC(=O)[O-])cc2C)C2CC2)cc([N+](=O)[O-])c1 ZINC000740052808 603428248 /nfs/dbraw/zinc/42/82/48/603428248.db2.gz FJNQNFKLOXUOEB-UHFFFAOYSA-N -1 0 383.404 3.788 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000830428055 604034552 /nfs/dbraw/zinc/03/45/52/604034552.db2.gz QVKHQYXKURYRDZ-CYBMUJFWSA-N -1 0 387.392 3.639 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000830427191 604102882 /nfs/dbraw/zinc/10/28/82/604102882.db2.gz FHQOVESXXXTHIM-ZBFHGGJFSA-N -1 0 390.440 3.598 20 5 GHBDRM COc1ccccc1O[C@@H](C)CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000832628364 604269534 /nfs/dbraw/zinc/26/95/34/604269534.db2.gz NJJPRXXYPKZRGE-JTQLQIEISA-N -1 0 380.784 3.834 20 5 GHBDRM C[C@H](Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000827767707 604272526 /nfs/dbraw/zinc/27/25/26/604272526.db2.gz IMMSYOWJYOEEBD-JTQLQIEISA-N -1 0 387.783 3.700 20 5 GHBDRM O=C([O-])/C=C/c1ccc(NCc2ccc(O)c(Br)c2)c([N+](=O)[O-])c1 ZINC000833197473 604284719 /nfs/dbraw/zinc/28/47/19/604284719.db2.gz PPPQSCRFVALGIR-ZZXKWVIFSA-N -1 0 393.193 3.773 20 5 GHBDRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000237946462 604371776 /nfs/dbraw/zinc/37/17/76/604371776.db2.gz PNSKSEKNUVPOIR-UHFFFAOYSA-N -1 0 376.796 3.755 20 5 GHBDRM Cc1cc(F)cc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)c1[N+](=O)[O-] ZINC000833744467 604575383 /nfs/dbraw/zinc/57/53/83/604575383.db2.gz BDKMFUHVFDWOIX-UHFFFAOYSA-N -1 0 378.381 3.861 20 5 GHBDRM C[C@@H]1C[C@@H](Nc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000833599010 604717875 /nfs/dbraw/zinc/71/78/75/604717875.db2.gz UVGDRKKOVOXRJH-OCCSQVGLSA-N -1 0 384.388 3.503 20 5 GHBDRM CNc1ccc(C(=O)O[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000833700286 604888659 /nfs/dbraw/zinc/88/86/59/604888659.db2.gz IDJQEKDXMNOTBM-AWEZNQCLSA-N -1 0 398.293 3.795 20 5 GHBDRM C[C@@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])[C@@H](C)C1 ZINC000833604260 605004458 /nfs/dbraw/zinc/00/44/58/605004458.db2.gz QPZBMFHLURCFMT-TYNCELHUSA-N -1 0 380.466 3.716 20 5 GHBDRM O=C([O-])c1ccc(F)c(COC(=O)c2cccc([N+](=O)[O-])c2Br)c1 ZINC000833780672 605077658 /nfs/dbraw/zinc/07/76/58/605077658.db2.gz ADDJZVZUHDCHOK-UHFFFAOYSA-N -1 0 398.140 3.552 20 5 GHBDRM C[C@@H](NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000833521822 605142554 /nfs/dbraw/zinc/14/25/54/605142554.db2.gz ARYGOMBULJTLKI-CXAGYDPISA-N -1 0 385.420 3.807 20 5 GHBDRM O=C([O-])c1cc(C(=O)NCCCCOc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000539567230 605206501 /nfs/dbraw/zinc/20/65/01/605206501.db2.gz FBMXYTREHSHCCL-UHFFFAOYSA-N -1 0 392.795 3.535 20 5 GHBDRM CC(C)(C)C[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)[O-] ZINC000833428397 605235013 /nfs/dbraw/zinc/23/50/13/605235013.db2.gz QYPXLHIWVKZVTG-GOSISDBHSA-N -1 0 381.428 3.587 20 5 GHBDRM O=C([O-])N1CCCCC[C@@H]1c1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000834102767 605722627 /nfs/dbraw/zinc/72/26/27/605722627.db2.gz FTKHDRPHUOUELD-OAHLLOKOSA-N -1 0 385.380 3.645 20 5 GHBDRM Cn1ccnc1[C@H](Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833954249 605816590 /nfs/dbraw/zinc/81/65/90/605816590.db2.gz HRJNDSZGHYAMSK-GOSISDBHSA-N -1 0 393.403 3.570 20 5 GHBDRM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ccccc2c2cccnc12 ZINC000834096570 605961180 /nfs/dbraw/zinc/96/11/80/605961180.db2.gz UBTSOHSKGDPBQU-CVEARBPZSA-N -1 0 375.428 3.745 20 5 GHBDRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000833905720 606008359 /nfs/dbraw/zinc/00/83/59/606008359.db2.gz BFNDFSNOWOCQLO-UHFFFAOYSA-N -1 0 388.336 3.770 20 5 GHBDRM Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000274661609 834690727 /nfs/dbraw/zinc/69/07/27/834690727.db2.gz VTCBCBKNCFHOBA-UHFFFAOYSA-N -1 0 383.404 3.534 20 5 GHBDRM Cc1cc(N2CCN(Cc3ccccc3Cl)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583633494 834779230 /nfs/dbraw/zinc/77/92/30/834779230.db2.gz HRBRGEKMFUGMNV-UHFFFAOYSA-N -1 0 389.839 3.577 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2ccccc2SC(C)C)ccc1[N+](=O)[O-] ZINC000471135581 834905505 /nfs/dbraw/zinc/90/55/05/834905505.db2.gz CICPUPRTZDCPLV-UHFFFAOYSA-N -1 0 382.463 3.905 20 5 GHBDRM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187024984 834972467 /nfs/dbraw/zinc/97/24/67/834972467.db2.gz XFICZWOQOZPXRZ-PIGZYNQJSA-N -1 0 376.796 3.556 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2noc3cc(Cl)ccc32)c1[N+](=O)[O-] ZINC000584017481 835437516 /nfs/dbraw/zinc/43/75/16/835437516.db2.gz UNMADPOSCWKXMP-UHFFFAOYSA-N -1 0 381.797 3.807 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1F ZINC000509385229 835515632 /nfs/dbraw/zinc/51/56/32/835515632.db2.gz HIETZBKORQIHRL-UHFFFAOYSA-N -1 0 396.730 3.790 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc2c(ccc(F)c2F)s1 ZINC000500853229 844061293 /nfs/dbraw/zinc/06/12/93/844061293.db2.gz SBHQIOWSOBPSOZ-UHFFFAOYSA-N -1 0 385.373 3.592 20 5 GHBDRM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000255724518 835674695 /nfs/dbraw/zinc/67/46/95/835674695.db2.gz FLRPCNHSHYHGKF-ARJAWSKDSA-N -1 0 378.316 3.740 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000120546202 835722812 /nfs/dbraw/zinc/72/28/12/835722812.db2.gz KWGIQXAOMHGMKU-UHFFFAOYSA-N -1 0 383.234 3.773 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC000174759614 836551380 /nfs/dbraw/zinc/55/13/80/836551380.db2.gz HWMZYOOZJPBJPD-UHFFFAOYSA-N -1 0 390.339 3.509 20 5 GHBDRM O=C(NCCc1nc(C2CCCCC2)cs1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000175626647 836825522 /nfs/dbraw/zinc/82/55/22/836825522.db2.gz HDQQSFBEKJYBFU-UHFFFAOYSA-N -1 0 375.450 3.777 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2nc3c(s2)c(C)ccc3C)cc1[N+](=O)[O-] ZINC000066249823 837016723 /nfs/dbraw/zinc/01/67/23/837016723.db2.gz XJKJPVHQHCRUFT-UHFFFAOYSA-N -1 0 393.446 3.631 20 5 GHBDRM Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000180353772 837160398 /nfs/dbraw/zinc/16/03/98/837160398.db2.gz CIKYNENRTMZINI-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM O=C(NCc1cccc(COCc2ccco2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000541175164 838064536 /nfs/dbraw/zinc/06/45/36/838064536.db2.gz XXSVGXMEKFFHNM-UHFFFAOYSA-N -1 0 382.372 3.540 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccnn1[C@H](C)CC(C)C ZINC000481059870 838467830 /nfs/dbraw/zinc/46/78/30/838467830.db2.gz OVHOFNADZNDWFN-CQSZACIVSA-N -1 0 380.470 3.816 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc(-c2ccco2)cc1F ZINC000447266369 838827089 /nfs/dbraw/zinc/82/70/89/838827089.db2.gz WJVLFNNZGSTKSY-UHFFFAOYSA-N -1 0 380.328 3.934 20 5 GHBDRM O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000512966363 844394219 /nfs/dbraw/zinc/39/42/19/844394219.db2.gz INPFDWJUCJPNAS-MUUNZHRXSA-N -1 0 396.424 3.861 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(-c3nccc(C)n3)cc2)cc1[N+](=O)[O-] ZINC000119198836 839892545 /nfs/dbraw/zinc/89/25/45/839892545.db2.gz CCSRCDATZLKIMO-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM O=C([O-])c1cc(C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)cc([N+](=O)[O-])c1 ZINC000432122943 840766466 /nfs/dbraw/zinc/76/64/66/840766466.db2.gz RBJPQYKZOAMLPH-OAHLLOKOSA-N -1 0 390.779 3.590 20 5 GHBDRM CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000106008559 841857036 /nfs/dbraw/zinc/85/70/36/841857036.db2.gz VKSVNEZYNPZPLQ-UHFFFAOYSA-N -1 0 397.840 3.624 20 5 GHBDRM O=C([O-])c1cnc(N2CCC[C@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])c1 ZINC000567980459 842912444 /nfs/dbraw/zinc/91/24/44/842912444.db2.gz BCZNJZIRKUGSGE-NSHDSACASA-N -1 0 384.417 3.682 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3oc(C(F)(F)F)nc32)cc1 ZINC000178332154 842956478 /nfs/dbraw/zinc/95/64/78/842956478.db2.gz OLCBVZWWEABCDO-UHFFFAOYSA-N -1 0 387.295 3.556 20 5 GHBDRM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])c2C)o1 ZINC000135408141 843345022 /nfs/dbraw/zinc/34/50/22/843345022.db2.gz OUQCBOZSQKUTLU-UHFFFAOYSA-N -1 0 390.421 3.612 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000481469760 861455562 /nfs/dbraw/zinc/45/55/62/861455562.db2.gz ZVFCBTJIGXEQLE-AULYBMBSSA-N -1 0 384.816 3.612 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccn([C@H](C)c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000610733903 843789011 /nfs/dbraw/zinc/78/90/11/843789011.db2.gz HFTRACOJPUUCCT-CQSZACIVSA-N -1 0 386.433 3.510 20 5 GHBDRM COc1ccc(N(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1F ZINC000509837020 843924352 /nfs/dbraw/zinc/92/43/52/843924352.db2.gz GDOTZUYRINEKOZ-UHFFFAOYSA-N -1 0 386.335 3.888 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C3(C)CCCC3)on2)c1[N+](=O)[O-] ZINC000432961879 844754772 /nfs/dbraw/zinc/75/47/72/844754772.db2.gz UKGUQVMLCNZCSD-UHFFFAOYSA-N -1 0 379.438 3.832 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000574008775 845053762 /nfs/dbraw/zinc/05/37/62/845053762.db2.gz JFYPUAJDZHLQSW-UHFFFAOYSA-N -1 0 398.824 3.618 20 5 GHBDRM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1C ZINC000176637448 845352438 /nfs/dbraw/zinc/35/24/38/845352438.db2.gz QFBYNUGCWLOUHI-UHFFFAOYSA-N -1 0 397.840 3.624 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000119528768 845511872 /nfs/dbraw/zinc/51/18/72/845511872.db2.gz BTYNGBAVOKSVKH-BDAKNGLRSA-N -1 0 386.779 3.648 20 5 GHBDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000551475727 846391252 /nfs/dbraw/zinc/39/12/52/846391252.db2.gz VHNKNFKYHPCYAV-UHFFFAOYSA-N -1 0 394.449 3.710 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)c([N+](=O)[O-])c1 ZINC000205624030 846798263 /nfs/dbraw/zinc/79/82/63/846798263.db2.gz XEXGBONXPNZIFP-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM CC(C)(NC(=O)N=c1nc(-c2ccccc2)[n-]s1)c1ccc([N+](=O)[O-])cc1 ZINC000431413075 847251365 /nfs/dbraw/zinc/25/13/65/847251365.db2.gz IQSNUEYNNDXNGE-UHFFFAOYSA-N -1 0 383.433 3.592 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1-c1cccc(Cl)c1 ZINC000503917341 849759694 /nfs/dbraw/zinc/75/96/94/849759694.db2.gz XYKIKRNASFYUKL-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2cccc(-c3nccc(C)n3)c2)cc1[N+](=O)[O-] ZINC000466958563 850263392 /nfs/dbraw/zinc/26/33/92/850263392.db2.gz BCQLNIKHJWITRW-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000515087734 850659223 /nfs/dbraw/zinc/65/92/23/850659223.db2.gz PUCWIFCJDYIYLG-UHFFFAOYSA-N -1 0 395.419 3.944 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)ccc1[N+](=O)[O-] ZINC000469232159 850977045 /nfs/dbraw/zinc/97/70/45/850977045.db2.gz RALLIOXRVINVLM-UHFFFAOYSA-N -1 0 391.430 3.528 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000436028751 851118245 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BZYIQZMGBPPULO-UHFFFAOYSA-N -1 0 386.282 3.502 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000436949008 852530907 /nfs/dbraw/zinc/53/09/07/852530907.db2.gz JCJQEUXWGXJKNR-GFCCVEGCSA-N -1 0 378.787 3.940 20 5 GHBDRM O=C(C[C@@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC000436989638 852580396 /nfs/dbraw/zinc/58/03/96/852580396.db2.gz MZXSKZRDLKITGR-INIZCTEOSA-N -1 0 382.416 3.958 20 5 GHBDRM COc1ccc(CCC2CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])CC2)cc1 ZINC000505916929 852585060 /nfs/dbraw/zinc/58/50/60/852585060.db2.gz LMJZCAMXBMCRNI-UHFFFAOYSA-N -1 0 384.432 3.794 20 5 GHBDRM Cc1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 ZINC000505918744 852585909 /nfs/dbraw/zinc/58/59/09/852585909.db2.gz JXZZOJKWDKXOJJ-UHFFFAOYSA-N -1 0 381.344 3.706 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)cccc1[N+](=O)[O-] ZINC000427105907 852732337 /nfs/dbraw/zinc/73/23/37/852732337.db2.gz BDSCYXXCVNMHDR-UHFFFAOYSA-N -1 0 394.302 3.742 20 5 GHBDRM Cc1ccc([C@@H]2OCCC[C@@H]2N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000509549214 852899966 /nfs/dbraw/zinc/89/99/66/852899966.db2.gz NPLHSYWEFJAXNB-ROUUACIJSA-N -1 0 380.404 3.707 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)c(Cl)c1 ZINC000437298786 852973594 /nfs/dbraw/zinc/97/35/94/852973594.db2.gz MUJNNSAFTNVOQC-UHFFFAOYSA-N -1 0 382.612 3.751 20 5 GHBDRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000437337020 853024350 /nfs/dbraw/zinc/02/43/50/853024350.db2.gz MKTJTTHXTPUWJK-UHFFFAOYSA-N -1 0 375.859 3.803 20 5 GHBDRM O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000437473772 853177172 /nfs/dbraw/zinc/17/71/72/853177172.db2.gz MIFIJTVFOJTFNX-MQMHXKEQSA-N -1 0 380.322 3.995 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC([C@H](O)c2ccccc2)CC1 ZINC000843764704 853636961 /nfs/dbraw/zinc/63/69/61/853636961.db2.gz SZJPRVPGFKQGLK-QGZVFWFLSA-N -1 0 390.823 3.540 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000519993670 853708985 /nfs/dbraw/zinc/70/89/85/853708985.db2.gz GVFBFBMDHNPWJT-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H](c2ccsc2)O1 ZINC000571286377 853852712 /nfs/dbraw/zinc/85/27/12/853852712.db2.gz KULIFUVYWREWIR-OTYXRUKQSA-N -1 0 382.825 3.618 20 5 GHBDRM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000766048942 862605730 /nfs/dbraw/zinc/60/57/30/862605730.db2.gz OTJIDOSCUJRTPP-UHFFFAOYSA-N -1 0 379.438 3.668 20 5 GHBDRM COC(C)(C)c1nc(C)c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000589477180 854899777 /nfs/dbraw/zinc/89/97/77/854899777.db2.gz HXZCPAGTAXLSIS-UHFFFAOYSA-N -1 0 385.829 3.853 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-c2ccncc2)c(C)c1 ZINC000589980319 855228937 /nfs/dbraw/zinc/22/89/37/855228937.db2.gz CAQYAUNLFRJIJP-UHFFFAOYSA-N -1 0 399.428 3.775 20 5 GHBDRM O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000130845770 855240122 /nfs/dbraw/zinc/24/01/22/855240122.db2.gz QKXJEQIPZILVOM-UHFFFAOYSA-N -1 0 395.346 3.944 20 5 GHBDRM COCCn1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c2ccccc21 ZINC000542763286 855674714 /nfs/dbraw/zinc/67/47/14/855674714.db2.gz SSPVWXABBMORKW-UHFFFAOYSA-N -1 0 389.795 3.807 20 5 GHBDRM CN(C(=O)c1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1)C1CCCCC1 ZINC000507808414 856204686 /nfs/dbraw/zinc/20/46/86/856204686.db2.gz RMBZSXUYRODUHB-UHFFFAOYSA-N -1 0 397.431 3.957 20 5 GHBDRM CCCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000905774210 856584226 /nfs/dbraw/zinc/58/42/26/856584226.db2.gz NILISROAARSIGA-UHFFFAOYSA-N -1 0 398.824 3.616 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(Cl)cccc2n1 ZINC000508082973 856877435 /nfs/dbraw/zinc/87/74/35/856877435.db2.gz IZSGEHWQXWJKCT-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM COc1c(Cl)cc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000485653809 856883083 /nfs/dbraw/zinc/88/30/83/856883083.db2.gz 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858260903 /nfs/dbraw/zinc/26/09/03/858260903.db2.gz UNIYZVADLBAOOL-NSHDSACASA-N -1 0 389.437 3.571 20 5 GHBDRM C[C@@H](c1ccsc1)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000567948775 863037054 /nfs/dbraw/zinc/03/70/54/863037054.db2.gz LYPQQSVDYBVZPF-NSHDSACASA-N -1 0 395.868 3.534 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1sccc1Br ZINC000315129446 858704204 /nfs/dbraw/zinc/70/42/04/858704204.db2.gz MAIFPGABIRZWML-UHFFFAOYSA-N -1 0 391.268 3.782 20 5 GHBDRM Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccncc3[N+](=O)[O-])cc2)cc1 ZINC000060342859 859104426 /nfs/dbraw/zinc/10/44/26/859104426.db2.gz OYHAGSQEVZHGGJ-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cccc(-n2cccc2)c1 ZINC000509380639 859237540 /nfs/dbraw/zinc/23/75/40/859237540.db2.gz WSJCETCSGJGYIN-UHFFFAOYSA-N -1 0 377.809 3.840 20 5 GHBDRM COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2)cn1 ZINC000509389630 859278037 /nfs/dbraw/zinc/27/80/37/859278037.db2.gz FOGVIGCVEZLGHZ-UHFFFAOYSA-N -1 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O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000474425766 860055657 /nfs/dbraw/zinc/05/56/57/860055657.db2.gz JDSIJTWPZMABQA-UHFFFAOYSA-N -1 0 376.731 3.531 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cccc(SC(F)F)c1 ZINC000727363481 860064507 /nfs/dbraw/zinc/06/45/07/860064507.db2.gz ROVCIFZCPKRCOV-UHFFFAOYSA-N -1 0 378.353 3.849 20 5 GHBDRM CCSc1cccc(F)c1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000555143065 860114655 /nfs/dbraw/zinc/11/46/55/860114655.db2.gz VHNOJUDIRDUSLZ-UHFFFAOYSA-N -1 0 386.426 3.655 20 5 GHBDRM C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000598253473 860177939 /nfs/dbraw/zinc/17/79/39/860177939.db2.gz JZUJJLDABNDUQF-DIFFPNOSSA-N -1 0 376.796 3.556 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000093928884 860377132 /nfs/dbraw/zinc/37/71/32/860377132.db2.gz FXDOVJIUYHWPLZ-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1ccc(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)c(C)c1[N+](=O)[O-] 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O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(Cl)cc1-n1cccc1 ZINC000736423287 865204608 /nfs/dbraw/zinc/20/46/08/865204608.db2.gz JWAHIRRWXHTHMJ-UHFFFAOYSA-N -1 0 395.799 3.979 20 5 GHBDRM Cc1cc2sc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)nc2c(C)c1 ZINC000608926714 865830460 /nfs/dbraw/zinc/83/04/60/865830460.db2.gz NSYRWWMKDVMUJS-UHFFFAOYSA-N -1 0 377.447 3.931 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n(-c2ccccc2C)n1 ZINC000608927123 865833370 /nfs/dbraw/zinc/83/33/70/865833370.db2.gz JKJYFUSVGOKLMP-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM Cc1c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)cccc1[N+](=O)[O-] ZINC000444390532 866056345 /nfs/dbraw/zinc/05/63/45/866056345.db2.gz GSASEQXCLNGEBW-UHFFFAOYSA-N -1 0 397.431 3.924 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(F)F)cc1[N+](=O)[O-] ZINC000466974560 866093506 /nfs/dbraw/zinc/09/35/06/866093506.db2.gz LBZNJKMOWCQFMP-UHFFFAOYSA-N -1 0 394.425 3.556 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)n1 ZINC000783605363 866596402 /nfs/dbraw/zinc/59/64/02/866596402.db2.gz ZGAPABFVQOGOGM-UHFFFAOYSA-N -1 0 376.221 3.660 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cccc3Cl)s2)cc1[N+](=O)[O-] ZINC000479114194 867156232 /nfs/dbraw/zinc/15/62/32/867156232.db2.gz GIFKXKSKFNUNSW-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM O=C(Nc1nc2c(cccc2Br)s1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000553408797 867368152 /nfs/dbraw/zinc/36/81/52/867368152.db2.gz VWKHJALYOXWKHU-UHFFFAOYSA-N -1 0 394.206 3.925 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(F)c(Br)c3)no2)cc1[O-] ZINC000445214725 867990258 /nfs/dbraw/zinc/99/02/58/867990258.db2.gz RVFSYRPGDSDULG-UHFFFAOYSA-N -1 0 394.156 3.843 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)c1[N+](=O)[O-] ZINC000479617490 868226325 /nfs/dbraw/zinc/22/63/25/868226325.db2.gz PQXIUSVAECJMNC-UHFFFAOYSA-N -1 0 381.479 3.738 20 5 GHBDRM C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000609076407 868798937 /nfs/dbraw/zinc/79/89/37/868798937.db2.gz VWJISKJAMSVMAU-GFCCVEGCSA-N -1 0 382.869 3.893 20 5 GHBDRM CC(C)(C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1Cl ZINC000609076272 868803950 /nfs/dbraw/zinc/80/39/50/868803950.db2.gz SNNKJXRPJNVTHK-UHFFFAOYSA-N -1 0 386.832 3.643 20 5 GHBDRM COCc1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c(-c2ccccc2)s1 ZINC000442975426 869197683 /nfs/dbraw/zinc/19/76/83/869197683.db2.gz UIWMSXAPMUCQIU-UHFFFAOYSA-N -1 0 399.428 3.500 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(C)C)cc1[N+](=O)[O-] ZINC000766325081 869327794 /nfs/dbraw/zinc/32/77/94/869327794.db2.gz ACMDVKMWCSYEIU-UHFFFAOYSA-N -1 0 398.460 3.819 20 5 GHBDRM O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc2c1 ZINC000539552433 869350830 /nfs/dbraw/zinc/35/08/30/869350830.db2.gz JHJXXGXOLIJORR-UHFFFAOYSA-N -1 0 398.227 3.673 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)nn1 ZINC000191036866 882344838 /nfs/dbraw/zinc/34/48/38/882344838.db2.gz HHQOXJAALYYERN-UHFFFAOYSA-N -1 0 390.808 3.506 20 5 GHBDRM Cc1nc(SC(F)F)sc1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000793734764 882397682 /nfs/dbraw/zinc/39/76/82/882397682.db2.gz AYHJATNKFHCPES-UHFFFAOYSA-N -1 0 375.378 3.561 20 5 GHBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000775552553 870769888 /nfs/dbraw/zinc/76/98/88/870769888.db2.gz HSTYLUKQQODJFW-UHFFFAOYSA-N -1 0 377.378 3.961 20 5 GHBDRM C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000540512057 871457688 /nfs/dbraw/zinc/45/76/88/871457688.db2.gz FAPIPDBNZBSBTL-NSHDSACASA-N -1 0 393.237 3.814 20 5 GHBDRM Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181756281 871461307 /nfs/dbraw/zinc/46/13/07/871461307.db2.gz OEBLSLBJMDYKIX-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1O ZINC000462100869 871596780 /nfs/dbraw/zinc/59/67/80/871596780.db2.gz JJJPAVYRAWLCMC-UHFFFAOYSA-N -1 0 377.205 3.716 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC001194918316 872031332 /nfs/dbraw/zinc/03/13/32/872031332.db2.gz YVMRQFJRMJBTSW-QXEWZRGKSA-N -1 0 379.265 3.616 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2ccc(CN=c3[n-]nc(Cc4ccsc4)o3)o2)c1 ZINC000540792968 872194092 /nfs/dbraw/zinc/19/40/92/872194092.db2.gz OCSTUXNLJXIESA-UHFFFAOYSA-N -1 0 382.401 3.924 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CCC3)nn2-c2ccccc2)cc1 ZINC000443425713 872608115 /nfs/dbraw/zinc/60/81/15/872608115.db2.gz YVCWJVUDQUNCPI-UHFFFAOYSA-N -1 0 398.444 3.849 20 5 GHBDRM Nc1ccc2n(C(=O)c3cc(Cl)c(F)cc3[O-])c3ccccc3cc-2c1=O ZINC001196465975 873114357 /nfs/dbraw/zinc/11/43/57/873114357.db2.gz CZTYTVHIZQWSKH-UHFFFAOYSA-N -1 0 382.778 3.875 20 5 GHBDRM C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])c2ccc(Br)cc2O1 ZINC001196459365 873142660 /nfs/dbraw/zinc/14/26/60/873142660.db2.gz SMLXJESFBVTBIY-JTQLQIEISA-N -1 0 379.210 3.850 20 5 GHBDRM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])c2ccc(Br)cc2O1 ZINC001196459366 873142820 /nfs/dbraw/zinc/14/28/20/873142820.db2.gz SMLXJESFBVTBIY-SNVBAGLBSA-N -1 0 379.210 3.850 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)cc1Cl ZINC000768866656 873630017 /nfs/dbraw/zinc/63/00/17/873630017.db2.gz ADHAEAOGPVBWQI-UHFFFAOYSA-N -1 0 378.740 3.650 20 5 GHBDRM Cc1nc(=NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)s[n-]1 ZINC000464422202 873850604 /nfs/dbraw/zinc/85/06/04/873850604.db2.gz XUKMMLZIJUATOD-UHFFFAOYSA-N -1 0 390.808 3.875 20 5 GHBDRM O=C(NCc1ccc(O)c(Br)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541783617 874255968 /nfs/dbraw/zinc/25/59/68/874255968.db2.gz JAORZLWXZXBTGA-UHFFFAOYSA-N -1 0 384.161 3.524 20 5 GHBDRM CCCN1Cc2cccc([N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])c2C1 ZINC000541933465 874584041 /nfs/dbraw/zinc/58/40/41/874584041.db2.gz PCLKTYIVJWVCPF-UHFFFAOYSA-N -1 0 389.477 3.738 20 5 GHBDRM C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000237493064 874594116 /nfs/dbraw/zinc/59/41/16/874594116.db2.gz PXAGHWPNHWNQQP-SECBINFHSA-N -1 0 377.422 3.538 20 5 GHBDRM 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Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)n[nH]1 ZINC000760365074 884018994 /nfs/dbraw/zinc/01/89/94/884018994.db2.gz GSMVLWLBYMCDMJ-UHFFFAOYSA-N -1 0 390.396 3.542 20 5 GHBDRM Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cs1 ZINC000475837894 884846752 /nfs/dbraw/zinc/84/67/52/884846752.db2.gz UOZUAPBABHKHPM-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM CCC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1 ZINC000475837845 884872932 /nfs/dbraw/zinc/87/29/32/884872932.db2.gz XFOQIAXIVGCFFE-UHFFFAOYSA-N -1 0 398.824 3.656 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1 ZINC000761892545 884932129 /nfs/dbraw/zinc/93/21/29/884932129.db2.gz VHUVRCGLNWBRNF-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000556767091 886092654 /nfs/dbraw/zinc/09/26/54/886092654.db2.gz HGYYCFMBBOGUHO-GFCCVEGCSA-N -1 0 383.429 3.930 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(OCC(F)(F)F)c1 ZINC000032600199 887448272 /nfs/dbraw/zinc/44/82/72/887448272.db2.gz CCOFDCFYLGBWHD-UHFFFAOYSA-N -1 0 390.339 3.645 20 5 GHBDRM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c1 ZINC000794577015 887491071 /nfs/dbraw/zinc/49/10/71/887491071.db2.gz MZPZLWCZASEZJN-UHFFFAOYSA-N -1 0 382.825 3.950 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)c(F)c(Cl)c2)ccc1[O-] ZINC000322859876 887642027 /nfs/dbraw/zinc/64/20/27/887642027.db2.gz BNUYHNLJSFTUPT-UHFFFAOYSA-N -1 0 381.168 3.547 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(-c3ccc(F)cc3)s2)cc1 ZINC000191760594 888454832 /nfs/dbraw/zinc/45/48/32/888454832.db2.gz DVRKWPMWMFIHFE-UHFFFAOYSA-N -1 0 379.394 3.658 20 5 GHBDRM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000916108425 888717213 /nfs/dbraw/zinc/71/72/13/888717213.db2.gz RGLKSZPYFCYWGY-UHFFFAOYSA-N -1 0 379.394 3.736 20 5 GHBDRM O=C(Nc1ccc(OC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000796103543 913279059 /nfs/dbraw/zinc/27/90/59/913279059.db2.gz ANCCAKOMRCIDNC-UHFFFAOYSA-N -1 0 396.330 3.911 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2c(-c3ccccc3)ncn2C2CC2)cs1 ZINC000811835054 890020172 /nfs/dbraw/zinc/02/01/72/890020172.db2.gz QRCBJGDTUFBBCR-UHFFFAOYSA-N -1 0 390.446 3.656 20 5 GHBDRM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000811835863 890021200 /nfs/dbraw/zinc/02/12/00/890021200.db2.gz ROKIUZGGSLXDFK-UHFFFAOYSA-N -1 0 376.221 3.714 20 5 GHBDRM CCOc1cc(CN(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000497735512 892288559 /nfs/dbraw/zinc/28/85/59/892288559.db2.gz XYRJWNWRPFMXFW-UHFFFAOYSA-N -1 0 396.346 3.573 20 5 GHBDRM COc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1OCC(F)(F)F ZINC000497729473 892311926 /nfs/dbraw/zinc/31/19/26/892311926.db2.gz CFJGFNYGGHRSID-UHFFFAOYSA-N -1 0 386.282 3.502 20 5 GHBDRM C[C@H](NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(C(C)(C)C)cc1 ZINC000917916377 892814087 /nfs/dbraw/zinc/81/40/87/892814087.db2.gz 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O=C([O-])[C@@H]1CN(Cc2cc(Br)c([N+](=O)[O-])s2)Cc2ccccc21 ZINC001606046491 973152970 /nfs/dbraw/zinc/15/29/70/973152970.db2.gz TVOGDQALJVZDKB-GFCCVEGCSA-N -1 0 397.250 3.603 20 5 GHBDRM O=C([O-])c1c(F)ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1Cl ZINC001605681925 974097158 /nfs/dbraw/zinc/09/71/58/974097158.db2.gz IVBUUKRUWJTKHT-UHFFFAOYSA-N -1 0 381.747 3.526 20 5 GHBDRM CC(C)Oc1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c(C(=O)[O-])c1 ZINC001591788173 975968676 /nfs/dbraw/zinc/96/86/76/975968676.db2.gz QXHHEOCXLXTQRS-UHFFFAOYSA-N -1 0 383.360 3.814 20 5 GHBDRM CC(C)Oc1cccc(CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC001591796997 976011525 /nfs/dbraw/zinc/01/15/25/976011525.db2.gz SGVNAAAGMHUEOW-UHFFFAOYSA-N -1 0 375.337 3.601 20 5 GHBDRM C[C@@H](CCCNC(=O)OC(C)(C)C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001592487937 978279186 /nfs/dbraw/zinc/27/91/86/978279186.db2.gz XBDJWBKWCOOOIM-FROQITRMSA-N -1 0 393.440 3.798 20 5 GHBDRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)[O-] ZINC001592839631 979599561 /nfs/dbraw/zinc/59/95/61/979599561.db2.gz GREGOZIFTWFPLV-QGZVFWFLSA-N -1 0 397.214 3.717 20 5 GHBDRM CC[C@](CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC001595160883 979688736 /nfs/dbraw/zinc/68/87/36/979688736.db2.gz WBMCBRSHHWFFTJ-OAQYLSRUSA-N -1 0 384.432 3.881 20 5 GHBDRM CC[C@H](Cc1ccccc1Br)Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001595218266 980031736 /nfs/dbraw/zinc/03/17/36/980031736.db2.gz HREOUQJIGYRMCN-LLVKDONJSA-N -1 0 394.225 3.884 20 5 GHBDRM CC[C@@H](NC(=O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001595243324 980174967 /nfs/dbraw/zinc/17/49/67/980174967.db2.gz ZKPNQEOECNLWCV-CQSZACIVSA-N -1 0 392.795 3.593 20 5 GHBDRM C[C@@](NC(=O)Cc1cc(Cl)cc(Cl)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593040781 980326003 /nfs/dbraw/zinc/32/60/03/980326003.db2.gz XVINNLXWXYJVEA-KRWDZBQOSA-N -1 0 397.214 3.560 20 5 GHBDRM CC[C@@H](c1nnc(Sc2ncc(C(=O)[O-])cc2[N+](=O)[O-])o1)c1ccccc1 ZINC001595364083 980789803 /nfs/dbraw/zinc/78/98/03/980789803.db2.gz OSALPJHGESXSGZ-GFCCVEGCSA-N -1 0 386.389 3.764 20 5 GHBDRM CCCc1c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)[nH]c(C)c1C(C)=O ZINC001596045398 983333239 /nfs/dbraw/zinc/33/32/39/983333239.db2.gz AZTFENODRWLPHD-UHFFFAOYSA-N -1 0 387.392 3.645 20 5 GHBDRM C/C(=C/C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001588938991 984626331 /nfs/dbraw/zinc/62/63/31/984626331.db2.gz JJGFRIWJXPGXGJ-FSAKYXIASA-N -1 0 380.400 3.815 20 5 GHBDRM C/C(=C/C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC001588940248 984633273 /nfs/dbraw/zinc/63/32/73/984633273.db2.gz ZZRRAMLYKKVABN-XASXRRJKSA-N -1 0 388.807 3.768 20 5 GHBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC001599971677 986016634 /nfs/dbraw/zinc/01/66/34/986016634.db2.gz IXSOFAQKMFRSPF-UHFFFAOYSA-N -1 0 393.193 3.925 20 5 GHBDRM C[C@H](C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001589389396 986503810 /nfs/dbraw/zinc/50/38/10/986503810.db2.gz ZRYGYPKDBYWGSG-BONVTDFDSA-N -1 0 396.321 3.816 20 5 GHBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC001589458241 986900695 /nfs/dbraw/zinc/90/06/95/986900695.db2.gz IIAJJLMQBCEVMS-QGHHPUGFSA-N -1 0 394.786 3.508 20 5 GHBDRM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC001597149296 986917812 /nfs/dbraw/zinc/91/78/12/986917812.db2.gz IVQYVJPAVGHJAZ-RDJZCZTQSA-N -1 0 399.403 3.678 20 5 GHBDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC001589503356 987108074 /nfs/dbraw/zinc/10/80/74/987108074.db2.gz CNSOWRHSCAAGBS-ZDUSSCGKSA-N -1 0 383.404 3.979 20 5 GHBDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC001589531545 987204485 /nfs/dbraw/zinc/20/44/85/987204485.db2.gz HANPAQFDXDWMIJ-SECBINFHSA-N -1 0 393.193 3.798 20 5 GHBDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC001589533156 987223509 /nfs/dbraw/zinc/22/35/09/987223509.db2.gz YGQGWHWQVFQMGY-SECBINFHSA-N -1 0 393.193 3.798 20 5 GHBDRM C[C@H](C(=O)Oc1ccc(Br)cc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589548298 987275437 /nfs/dbraw/zinc/27/54/37/987275437.db2.gz YWTKFCMUZKSYIS-VIFPVBQESA-N -1 0 394.177 3.765 20 5 GHBDRM CC(C)(C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC001589568071 987336208 /nfs/dbraw/zinc/33/62/08/987336208.db2.gz XFURTEHRDOXIIE-OAHLLOKOSA-N -1 0 394.443 3.799 20 5 GHBDRM CC(C)(C(=O)[O-])c1cccc(OC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC001589651015 987601056 /nfs/dbraw/zinc/60/10/56/987601056.db2.gz SXNNBHVBDMBDIC-UHFFFAOYSA-N -1 0 375.402 3.655 20 5 GHBDRM CCc1cc(N2CCC[C@H](C(C)(C)C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001597477277 987948304 /nfs/dbraw/zinc/94/83/04/987948304.db2.gz YQUXRZKQLIAFGO-HNNXBMFYSA-N -1 0 398.463 3.941 20 5 GHBDRM CCc1ccc([C@@H]2COCCN2c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)o1 ZINC001597519915 988143944 /nfs/dbraw/zinc/14/39/44/988143944.db2.gz HGUSRAHICHAUDE-ZDUSSCGKSA-N -1 0 380.784 3.680 20 5 GHBDRM CSc1ccc(NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001599819163 988481586 /nfs/dbraw/zinc/48/15/86/988481586.db2.gz RPPDYIKOGCBGBV-UHFFFAOYSA-N -1 0 375.406 3.645 20 5 GHBDRM CSc1ccc(Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1Br ZINC001599820387 988502582 /nfs/dbraw/zinc/50/25/82/988502582.db2.gz XCTOKQCAGNJJIY-UHFFFAOYSA-N -1 0 384.211 3.916 20 5 GHBDRM CSc1ccc([N+](=O)[O-])c(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)c1 ZINC001599823042 988547565 /nfs/dbraw/zinc/54/75/65/988547565.db2.gz USEYVANLEYDDNF-UHFFFAOYSA-N -1 0 375.402 3.898 20 5 GHBDRM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001599860868 989165846 /nfs/dbraw/zinc/16/58/46/989165846.db2.gz UBUVEPNZOAJGCX-NOZJJQNGSA-N -1 0 399.831 3.614 20 5 GHBDRM CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598093642 990442274 /nfs/dbraw/zinc/44/22/74/990442274.db2.gz PGFXPIIDTJCJJB-CQSZACIVSA-N -1 0 383.187 3.800 20 5 GHBDRM C[C@@](NC(=O)c1cc2cccc(Cl)c2o1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593155633 993968554 /nfs/dbraw/zinc/96/85/54/993968554.db2.gz MOPXBFLGSOWHDY-SFHVURJKSA-N -1 0 388.763 3.724 20 5 GHBDRM C[C@@](NC(=O)c1ccc(-c2ccccc2)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593156004 993972182 /nfs/dbraw/zinc/97/21/82/993972182.db2.gz HMQRKFWWOLWASJ-QFIPXVFZSA-N -1 0 390.395 3.992 20 5 GHBDRM C[C@H](NC(=O)c1ccc(NCCC(C)(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593169765 994022892 /nfs/dbraw/zinc/02/28/92/994022892.db2.gz DZXFKAGVJJOJSH-AWEZNQCLSA-N -1 0 399.447 3.578 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001599622035 994097261 /nfs/dbraw/zinc/09/72/61/994097261.db2.gz MAASURMFUJSPKH-UHFFFAOYSA-N -1 0 391.405 3.668 20 5 GHBDRM COc1ccc([N+](=O)[O-])c(C(=O)O[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)c1 ZINC001599622068 994097406 /nfs/dbraw/zinc/09/74/06/994097406.db2.gz OQQPQNBXCKNZGP-CQSZACIVSA-N -1 0 399.277 3.762 20 5 GHBDRM COc1cccc(C2(NC(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3C)CCC2)c1 ZINC001599667127 994747819 /nfs/dbraw/zinc/74/78/19/994747819.db2.gz VVRYMBJLSFHFCH-UHFFFAOYSA-N -1 0 399.403 3.811 20 5 GHBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001593619999 995866724 /nfs/dbraw/zinc/86/67/24/995866724.db2.gz VTEBTAYDZCAXPM-DTWKUNHWSA-N -1 0 383.740 3.611 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001593667208 996056797 /nfs/dbraw/zinc/05/67/97/996056797.db2.gz LJSGMJBJQUXUSL-CXAGYDPISA-N -1 0 394.493 3.863 20 5 GHBDRM CC1(C)CCC[C@@](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])(C(=O)[O-])C1 ZINC001593892511 996741485 /nfs/dbraw/zinc/74/14/85/996741485.db2.gz SRGQAQWVVFZJPX-SFHVURJKSA-N -1 0 382.844 3.721 20 5 GHBDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC001599399631 997190486 /nfs/dbraw/zinc/19/04/86/997190486.db2.gz PTFVNVAPXVKUCY-YWEYNIOJSA-N -1 0 389.385 3.642 20 5 GHBDRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001599401478 997222633 /nfs/dbraw/zinc/22/26/33/997222633.db2.gz XDZIXXMODAHAKL-XVNBXDOJSA-N -1 0 377.736 3.574 20 5 GHBDRM COc1cc(COc2ccn(Cc3ccccc3)c2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599416735 997525408 /nfs/dbraw/zinc/52/54/08/997525408.db2.gz FQMKYAPWUATRKP-UHFFFAOYSA-N -1 0 382.372 3.730 20 5 GHBDRM COc1c(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)cccc1[N+](=O)[O-] ZINC001599328269 997702727 /nfs/dbraw/zinc/70/27/27/997702727.db2.gz DGUNOXIEDYPCQE-CQSZACIVSA-N -1 0 378.425 3.537 20 5 GHBDRM COCCCOc1cc(C)ccc1CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC001599227754 997790383 /nfs/dbraw/zinc/79/03/83/997790383.db2.gz KGASJWYJSWZYCD-UHFFFAOYSA-N -1 0 388.420 3.937 20 5 GHBDRM COc1ccc([C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)[O-])c3Cl)C2)cc1 ZINC001599539941 997818996 /nfs/dbraw/zinc/81/89/96/997818996.db2.gz ATVNCILQFPEGDR-GFCCVEGCSA-N -1 0 376.796 3.949 20 5 GHBDRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001599546270 997928101 /nfs/dbraw/zinc/92/81/01/997928101.db2.gz VVLCAOXNVCDIHU-CLTKARDFSA-N -1 0 377.736 3.574 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000468944390 1016256310 /nfs/dbraw/zinc/25/63/10/1016256310.db2.gz MCNRVAKFZDJRGW-UHFFFAOYSA-N -1 0 392.433 3.726 20 5 GHBDRM C[C@H]1CCCN(c2ccc(C(=O)O[C@H](C(=O)[O-])c3ccccc3)cc2[N+](=O)[O-])C1 ZINC001594389217 999474247 /nfs/dbraw/zinc/47/42/47/999474247.db2.gz OKEQYLHDGSXUCM-LIRRHRJNSA-N -1 0 398.415 3.814 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)(C)C)cc2)ccc1[N+](=O)[O-] ZINC000469123387 1016522020 /nfs/dbraw/zinc/52/20/20/1016522020.db2.gz XPDPAMBHMLQXOQ-UHFFFAOYSA-N -1 0 392.433 3.633 20 5 GHBDRM COC(=O)[C@H]1C[C@H](Oc2ccc3c(c2)oc2c3c(=O)oc3cc([O-])ccc23)C1 ZINC001227516297 1032449018 /nfs/dbraw/zinc/44/90/18/1032449018.db2.gz BOGFBNXGSNZFFU-MJHDQNEOSA-N -1 0 380.352 3.728 20 5 GHBDRM C[C@@H](Oc1cc2cc(S(=O)(=O)[O-])ccc2cc1O)c1cccc([N+](=O)[O-])c1 ZINC001227638842 1032497193 /nfs/dbraw/zinc/49/71/93/1032497193.db2.gz CFCRUZCZDXBLKT-LLVKDONJSA-N -1 0 389.385 3.840 20 5 GHBDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CC=C[C@@H]2COCc2ccccc2)cc1[O-] ZINC001228808924 1033111696 /nfs/dbraw/zinc/11/16/96/1033111696.db2.gz FLEMXMSGXDGODE-BEFAXECRSA-N -1 0 399.399 3.627 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC001141122906 1023545331 /nfs/dbraw/zinc/54/53/31/1023545331.db2.gz CTJQJVZFHSUAQY-LBPRGKRZSA-N -1 0 391.221 3.693 20 5 GHBDRM Cc1cc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000841501171 1028699575 /nfs/dbraw/zinc/69/95/75/1028699575.db2.gz DAIWQXDRFCAWSG-UHFFFAOYSA-N -1 0 383.404 3.844 20 5 GHBDRM COc1c(Br)cccc1-c1noc(-c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC001215379269 1029180010 /nfs/dbraw/zinc/18/00/10/1029180010.db2.gz XEFXCGULEJFVAV-UHFFFAOYSA-N -1 0 392.165 3.789 20 5 GHBDRM COc1cc2c(cc1-c1noc(-c3cc([N+](=O)[O-])ccc3[O-])n1)CCCC2=O ZINC001215380172 1029181586 /nfs/dbraw/zinc/18/15/86/1029181586.db2.gz JQRWZSMVABHLTO-UHFFFAOYSA-N -1 0 381.344 3.545 20 5 GHBDRM Nc1cc2nc3ccccc3n(-c3cc(C(=O)[O-])cc(C(F)(F)F)c3)c-2cc1=O ZINC001215644159 1029323624 /nfs/dbraw/zinc/32/36/24/1029323624.db2.gz OGAJSIASZJTDRX-UHFFFAOYSA-N -1 0 399.328 3.790 20 5 GHBDRM COc1cc(-c2noc(-c3cc([O-])ccc3[N+](=O)[O-])n2)cc(Cl)c1OC ZINC001216678447 1029728079 /nfs/dbraw/zinc/72/80/79/1029728079.db2.gz FCKRTWIVBKVOSZ-UHFFFAOYSA-N -1 0 377.740 3.688 20 5 GHBDRM CCN(CC)c1ccc(-c2noc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])n2)cc1 ZINC001216711594 1029899232 /nfs/dbraw/zinc/89/92/32/1029899232.db2.gz CIHYHWYRMRUWAH-UHFFFAOYSA-N -1 0 399.363 3.772 20 5 GHBDRM O=[N+]([O-])c1cc(-c2nc(-c3ccc(N4CCCC4)cc3)no2)c([O-])c([N+](=O)[O-])c1 ZINC001216711835 1029900553 /nfs/dbraw/zinc/90/05/53/1029900553.db2.gz PVOAHTGTYIDZCR-UHFFFAOYSA-N -1 0 397.347 3.526 20 5 GHBDRM Cc1cc(C)n(-c2ccc(-c3noc(-c4ccc(C)c([O-])c4[N+](=O)[O-])n3)cn2)n1 ZINC001216858715 1029967209 /nfs/dbraw/zinc/96/72/09/1029967209.db2.gz DUYXJRRBZNXVGT-UHFFFAOYSA-N -1 0 392.375 3.523 20 5 GHBDRM Cc1cc([O-])c(-c2nc(-c3ccc(Br)c(C)n3)no2)cc1[N+](=O)[O-] ZINC001216945916 1030018786 /nfs/dbraw/zinc/01/87/86/1030018786.db2.gz DIYIKKNHKVYNLE-UHFFFAOYSA-N -1 0 391.181 3.792 20 5 GHBDRM O=[N+]([O-])c1cc(F)c([O-])cc1-c1nc(-c2cccc(-c3ccccn3)n2)no1 ZINC001216951096 1030023872 /nfs/dbraw/zinc/02/38/72/1030023872.db2.gz NBLFZENWLIFPPF-UHFFFAOYSA-N -1 0 379.307 3.614 20 5 GHBDRM O=c1c(-c2nc(-c3cccc4cccnc43)no2)c[n-]c2ccc([N+](=O)[O-])cc21 ZINC001217437884 1030391671 /nfs/dbraw/zinc/39/16/71/1030391671.db2.gz BSOVXRSLQZRMNN-UHFFFAOYSA-N -1 0 385.339 3.702 20 5 GHBDRM Cc1cc(F)c(F)cc1-c1noc(-c2c[n-]c3ccc([N+](=O)[O-])cc3c2=O)n1 ZINC001217437905 1030392199 /nfs/dbraw/zinc/39/21/99/1030392199.db2.gz CARYSQIVNHPPAZ-UHFFFAOYSA-N -1 0 384.298 3.740 20 5 GHBDRM Cc1cc(-c2noc(-c3cc(=O)c4cc([N+](=O)[O-])ccc4[n-]3)n2)cc(C)c1F ZINC001217510022 1030453156 /nfs/dbraw/zinc/45/31/56/1030453156.db2.gz UCXGHOWMAXKNHN-UHFFFAOYSA-N -1 0 380.335 3.909 20 5 GHBDRM Cc1cc(F)c(-c2noc(-c3cc(=O)c4cc([N+](=O)[O-])ccc4[n-]3)n2)cc1F ZINC001217511866 1030454636 /nfs/dbraw/zinc/45/46/36/1030454636.db2.gz JDWKZWRDQLQNKW-UHFFFAOYSA-N -1 0 384.298 3.740 20 5 GHBDRM CC(C)=CCc1c([O-])cc2oc3ccc(O)cc3c(=O)c2c1O[C@H]1C[C@H](O)C1 ZINC001218367516 1030910986 /nfs/dbraw/zinc/91/09/86/1030910986.db2.gz WTTABEMVOAFKNG-HDJSIYSDSA-N -1 0 382.412 3.768 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1O[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC001225490303 1031437034 /nfs/dbraw/zinc/43/70/34/1031437034.db2.gz GVTCMQWSISBMCB-AWEZNQCLSA-N -1 0 379.210 3.721 20 5 GHBDRM CC(C)(C)OC(=O)N1CC2(C1)CCC(Oc1cc([O-])ccc1[N+](=O)[O-])CC2 ZINC001225491282 1031439157 /nfs/dbraw/zinc/43/91/57/1031439157.db2.gz NYQQXAWRHHIRMT-UHFFFAOYSA-N -1 0 378.425 3.859 20 5 GHBDRM CCOC(=O)[C@H](Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc21)C(F)(F)F ZINC001229798299 1033722785 /nfs/dbraw/zinc/72/27/85/1033722785.db2.gz UPGOMVXMGRWQDI-HNNXBMFYSA-N -1 0 382.290 3.525 20 5 GHBDRM O=c1nc(O[C@H]2CCc3ccc(Br)cc32)c([N+](=O)[O-])c(Cl)[n-]1 ZINC001231072406 1034378542 /nfs/dbraw/zinc/37/85/42/1034378542.db2.gz VIVLAGVULCZZIZ-VIFPVBQESA-N -1 0 386.589 3.573 20 5 GHBDRM CC(C)Oc1cc(F)c(COc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])c(F)c1 ZINC001231229071 1034473698 /nfs/dbraw/zinc/47/36/98/1034473698.db2.gz YYGUXCBMBNUVFY-UHFFFAOYSA-N -1 0 384.291 3.853 20 5 GHBDRM O=[N+]([O-])c1cc([N+](=O)[O-])c(OC2CCCCC2)c2cc(S(=O)(=O)[O-])ccc21 ZINC001231239537 1034477415 /nfs/dbraw/zinc/47/74/15/1034477415.db2.gz FNQJXCLKTRCTHA-UHFFFAOYSA-N -1 0 396.377 3.614 20 5 GHBDRM COc1c(O)ccc2c(=O)c3c(O[C@H](C)COC(C)(C)C)cc(O)cc3oc21 ZINC001234748683 1040274574 /nfs/dbraw/zinc/27/45/74/1040274574.db2.gz IURJMQLKGOOFMV-LLVKDONJSA-N -1 0 388.416 3.948 20 5 GHBDRM O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC001297284302 1045492141 /nfs/dbraw/zinc/49/21/41/1045492141.db2.gz VHBGVOFPFJSYQQ-LLVKDONJSA-N -1 0 396.230 3.616 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2cccc3nc4ccccc4nc23)cc1F ZINC001260662443 1045597826 /nfs/dbraw/zinc/59/78/26/1045597826.db2.gz ULKJUUZKLKAVSA-UHFFFAOYSA-N -1 0 383.404 3.732 20 5 GHBDRM Cc1ccc([C@@H]2[C@H](C)CCCN2S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC001463168201 1070871930 /nfs/dbraw/zinc/87/19/30/1070871930.db2.gz RUMROKUPONIBTO-KUHUBIRLSA-N -1 0 390.461 3.771 20 5 GHBDRM C[C@@H](NC(=O)c1cc(Br)cc(F)c1[O-])c1ccccc1[N+](=O)[O-] ZINC001303302713 1047349809 /nfs/dbraw/zinc/34/98/09/1047349809.db2.gz GCZQNMHBLUBBRJ-MRVPVSSYSA-N -1 0 383.173 3.693 20 5 GHBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(-n2ccc(C(=O)[O-])n2)c1 ZINC001326364210 1057467569 /nfs/dbraw/zinc/46/75/69/1057467569.db2.gz MXMRMPRBQMWSNB-UHFFFAOYSA-N -1 0 394.387 3.656 20 5 GHBDRM CC(C)(NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1Br ZINC001446252084 1059736014 /nfs/dbraw/zinc/73/60/14/1059736014.db2.gz CLHLFXKUNIFFDJ-UHFFFAOYSA-N -1 0 379.210 3.728 20 5 GHBDRM CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001446828009 1059875267 /nfs/dbraw/zinc/87/52/67/1059875267.db2.gz ULQDADHGADZIEZ-ABKXIKBNSA-N -1 0 382.775 3.599 20 5 GHBDRM O=C(NCCc1c[nH]c2ccc(F)cc12)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001448476220 1060193598 /nfs/dbraw/zinc/19/35/98/1060193598.db2.gz NGVWHFSBBWUKEW-UHFFFAOYSA-N -1 0 377.759 3.547 20 5 GHBDRM Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001448475800 1060194411 /nfs/dbraw/zinc/19/44/11/1060194411.db2.gz ASSOIPUMHYXYOH-UHFFFAOYSA-N -1 0 378.797 3.668 20 5 GHBDRM O=C(NCCc1ccccc1Br)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001448793021 1060268955 /nfs/dbraw/zinc/26/89/55/1060268955.db2.gz HZMJSXCONXLKCO-UHFFFAOYSA-N -1 0 399.628 3.689 20 5 GHBDRM CC(C)c1oncc1NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001455736664 1062279973 /nfs/dbraw/zinc/27/99/73/1062279973.db2.gz JRLIIVMUCYBCJI-UHFFFAOYSA-N -1 0 391.771 3.503 20 5 GHBDRM Cc1ccc(NC(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])c(N)c1[N+](=O)[O-] ZINC001456745596 1062838067 /nfs/dbraw/zinc/83/80/67/1062838067.db2.gz IKXZFJJWJMNXLH-UHFFFAOYSA-N -1 0 395.419 3.752 20 5 GHBDRM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC001460061408 1064387381 /nfs/dbraw/zinc/38/73/81/1064387381.db2.gz QBDPFMPCMOAIRM-UHFFFAOYSA-N -1 0 387.373 3.740 20 5 GHBDRM CC(C)(c1ccccc1)C1([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC001463693843 1064554099 /nfs/dbraw/zinc/55/40/99/1064554099.db2.gz FIHAKKGDUSNZJV-UHFFFAOYSA-N -1 0 378.425 3.523 20 5 GHBDRM O=C(NCc1ccc(COc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC001464191277 1064899411 /nfs/dbraw/zinc/89/94/11/1064899411.db2.gz FUHYHASQQDHFFB-UHFFFAOYSA-N -1 0 378.384 3.809 20 5 GHBDRM C[C@@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC001464291531 1064943991 /nfs/dbraw/zinc/94/39/91/1064943991.db2.gz CPTMMUJOIIXRPR-LLVKDONJSA-N -1 0 386.795 3.631 20 5 GHBDRM COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001473273867 1073901697 /nfs/dbraw/zinc/90/16/97/1073901697.db2.gz OXKCECKDEITFRD-INIZCTEOSA-N -1 0 399.230 3.953 20 5 GHBDRM Cc1cc(S(=O)(=O)NCc2ccc(C(F)(F)F)s2)c(F)cc1[N+](=O)[O-] ZINC001475639517 1074990292 /nfs/dbraw/zinc/99/02/92/1074990292.db2.gz YTZJUXKCDXJCND-UHFFFAOYSA-N -1 0 398.359 3.601 20 5 GHBDRM CCc1ccc(-c2csc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000005924378 204157616 /nfs/dbraw/zinc/15/76/16/204157616.db2.gz SLSLDJOTAHVWLT-UHFFFAOYSA-N -1 0 389.458 3.503 20 5 GHBDRM O=C([O-])Cc1ccccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000431664911 597762410 /nfs/dbraw/zinc/76/24/10/597762410.db2.gz MVTOSBWVMLCCGI-UHFFFAOYSA-N -1 0 380.809 3.606 20 5 GHBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000737374955 599872385 /nfs/dbraw/zinc/87/23/85/599872385.db2.gz DIKJHFNWLWDQSZ-UHFFFAOYSA-N -1 0 399.428 3.504 20 5 GHBDRM O=C([O-])CSCc1cccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000739874615 599892696 /nfs/dbraw/zinc/89/26/96/599892696.db2.gz UDAOMVKUXMNIAA-UHFFFAOYSA-N -1 0 377.447 3.722 20 5 GHBDRM COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1SC ZINC000737905545 599913229 /nfs/dbraw/zinc/91/32/29/599913229.db2.gz KQZBPGPMCGLHHL-UHFFFAOYSA-N -1 0 395.368 3.807 20 5 GHBDRM CC(C)(Cc1ccccc1Cl)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236772008 599913756 /nfs/dbraw/zinc/91/37/56/599913756.db2.gz CQKBCHDEZXDTBV-UHFFFAOYSA-N -1 0 376.796 3.698 20 5 GHBDRM CCCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000532553698 600023131 /nfs/dbraw/zinc/02/31/31/600023131.db2.gz LTWJHQFGUIIRLB-UHFFFAOYSA-N -1 0 392.795 3.977 20 5 GHBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736703006 600086180 /nfs/dbraw/zinc/08/61/80/600086180.db2.gz JGJACVAQUYATBA-MRVPVSSYSA-N -1 0 397.746 3.883 20 5 GHBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736472514 600120227 /nfs/dbraw/zinc/12/02/27/600120227.db2.gz WFCJWKCBNNRISC-UHFFFAOYSA-N -1 0 387.392 3.501 20 5 GHBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736471630 600120752 /nfs/dbraw/zinc/12/07/52/600120752.db2.gz JDGAJBMIWNXSGN-UHFFFAOYSA-N -1 0 387.392 3.501 20 5 GHBDRM CCc1nc2ccc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2nc1CC ZINC000737283619 600189145 /nfs/dbraw/zinc/18/91/45/600189145.db2.gz KAULKOCQPHBAMC-UHFFFAOYSA-N -1 0 394.387 3.613 20 5 GHBDRM CC(C)C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000736429359 600259386 /nfs/dbraw/zinc/25/93/86/600259386.db2.gz ZPDHATJLHBRVAT-QGZVFWFLSA-N -1 0 396.403 3.687 20 5 GHBDRM O=C([O-])[C@@H]1CC12CCN(c1ccc(C(=O)c3ccccc3)cc1[N+](=O)[O-])CC2 ZINC000567985411 600282552 /nfs/dbraw/zinc/28/25/52/600282552.db2.gz WORMAFVMJIXTBX-INIZCTEOSA-N -1 0 380.400 3.517 20 5 GHBDRM O=C([O-])NCc1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000739991142 600337738 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AZSVNYNMXJVFNQ-UHFFFAOYSA-N -1 0 386.407 3.800 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2cc(Oc3ccccc3)ccn2)cc([N+](=O)[O-])c1 ZINC000833299574 601069115 /nfs/dbraw/zinc/06/91/15/601069115.db2.gz ARGNAEZVYWOCDV-UHFFFAOYSA-N -1 0 379.328 3.733 20 5 GHBDRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000833176886 601091406 /nfs/dbraw/zinc/09/14/06/601091406.db2.gz JAUXILLCVJOOTD-WMLDXEAASA-N -1 0 394.855 3.673 20 5 GHBDRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000828952529 601337009 /nfs/dbraw/zinc/33/70/09/601337009.db2.gz ZZSOVUGSCYWOBI-CQSZACIVSA-N -1 0 379.319 3.844 20 5 GHBDRM COc1ccc([C@H](C)Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1F ZINC000832226122 601381012 /nfs/dbraw/zinc/38/10/12/601381012.db2.gz IQHDEPAJJWOQHT-QMMMGPOBSA-N -1 0 379.300 3.522 20 5 GHBDRM C/C(=C/COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1)C(=O)[O-] ZINC000825775544 601408075 /nfs/dbraw/zinc/40/80/75/601408075.db2.gz UWVIFHSGZVHBPL-UITAMQMPSA-N -1 0 394.430 3.699 20 5 GHBDRM COc1cccc(N2CC[C@H](CNc3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)C2)c1 ZINC000574695134 601545326 /nfs/dbraw/zinc/54/53/26/601545326.db2.gz YLUBGFPZPNMAFV-CQSZACIVSA-N -1 0 385.420 3.548 20 5 GHBDRM Cc1sc(C(=O)[O-])cc1COC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000833031750 601729810 /nfs/dbraw/zinc/72/98/10/601729810.db2.gz OXUBAKNVLMYVPN-UHFFFAOYSA-N -1 0 399.808 3.829 20 5 GHBDRM C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C(=O)[O-] ZINC000828378246 601793307 /nfs/dbraw/zinc/79/33/07/601793307.db2.gz PQDKZPVUPUEZDM-SJKOYZFVSA-N -1 0 385.376 3.572 20 5 GHBDRM C[C@H]1CCCN(c2ccc(C(=O)Nc3cccc(CC(=O)[O-])c3)cc2[N+](=O)[O-])C1 ZINC000532690404 602070611 /nfs/dbraw/zinc/07/06/11/602070611.db2.gz ZUSIZYPEPNWFHH-AWEZNQCLSA-N -1 0 397.431 3.711 20 5 GHBDRM O=C([O-])[C@@H](OC(=O)c1csc([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1 ZINC000833350372 602085606 /nfs/dbraw/zinc/08/56/06/602085606.db2.gz KCORBKXYEWBCMM-NSHDSACASA-N -1 0 376.173 3.946 20 5 GHBDRM O=C([O-])COc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c2ccccc12 ZINC000833257942 602261598 /nfs/dbraw/zinc/26/15/98/602261598.db2.gz DDFWQYZQZSJILG-UHFFFAOYSA-N -1 0 384.319 3.603 20 5 GHBDRM COc1ccccc1[C@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)c1nccn1C ZINC000832597086 602312925 /nfs/dbraw/zinc/31/29/25/602312925.db2.gz TVEZCFUVNHEOHJ-KRWDZBQOSA-N -1 0 396.403 3.545 20 5 GHBDRM Cc1ccc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)c(O[C@@H]2CCOC2)c1 ZINC000583265231 602323557 /nfs/dbraw/zinc/32/35/57/602323557.db2.gz HOAZBCQQYLLGEK-MRXNPFEDSA-N -1 0 386.404 3.690 20 5 GHBDRM COc1cc(C(=O)Nc2ccc(NC(=O)[O-])cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000739851365 602501410 /nfs/dbraw/zinc/50/14/10/602501410.db2.gz JFPHYYLCIBIIQV-UHFFFAOYSA-N -1 0 397.290 3.547 20 5 GHBDRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)C1 ZINC000740568673 603201306 /nfs/dbraw/zinc/20/13/06/603201306.db2.gz ZCUJOTRXKFIMSC-KGLIPLIRSA-N -1 0 375.425 3.697 20 5 GHBDRM C[C@@H](NC(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)c1cccc([N+](=O)[O-])c1 ZINC000738976827 603288686 /nfs/dbraw/zinc/28/86/86/603288686.db2.gz HJXVZSBMWQTMEV-GFCCVEGCSA-N -1 0 384.392 3.514 20 5 GHBDRM O=C([O-])N1CCC(N(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc2F)CC1 ZINC000740501527 603300020 /nfs/dbraw/zinc/30/00/20/603300020.db2.gz YOTOCKXEJKDGPH-UHFFFAOYSA-N -1 0 387.367 3.523 20 5 GHBDRM O=C([O-])Nc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000740696332 603434123 /nfs/dbraw/zinc/43/41/23/603434123.db2.gz QJFVDYCDWSHCNX-INIZCTEOSA-N -1 0 391.380 3.712 20 5 GHBDRM COc1cc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1NC(=O)[O-] ZINC000829158443 603802385 /nfs/dbraw/zinc/80/23/85/603802385.db2.gz DAEYXZJHXPPHIJ-LLVKDONJSA-N -1 0 388.380 3.884 20 5 GHBDRM O=C([O-])N1CCc2ccc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])cc2C1 ZINC000831777673 603939219 /nfs/dbraw/zinc/93/92/19/603939219.db2.gz DIFZXXDZHSWEQH-UHFFFAOYSA-N -1 0 375.768 3.537 20 5 GHBDRM 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O=C([O-])c1cc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)cc([N+](=O)[O-])c1 ZINC000833295961 604672312 /nfs/dbraw/zinc/67/23/12/604672312.db2.gz HOWPDGCYLFNOEG-QGZVFWFLSA-N -1 0 390.342 3.939 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc(C(=O)[O-])cc1F ZINC000833546063 604690495 /nfs/dbraw/zinc/69/04/95/604690495.db2.gz OYIHTOKJORHFCP-SNVBAGLBSA-N -1 0 379.365 3.656 20 5 GHBDRM Cc1sc(NC(=O)Cc2cccc(C(=O)[O-])c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000833758134 604822416 /nfs/dbraw/zinc/82/24/16/604822416.db2.gz OCYKHDCZGGOXGS-UHFFFAOYSA-N -1 0 397.412 3.906 20 5 GHBDRM O=C([O-])COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1Cl ZINC000833257909 604844628 /nfs/dbraw/zinc/84/46/28/604844628.db2.gz BHQIZSADOYEPRU-UHFFFAOYSA-N -1 0 385.159 3.617 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000591349732 604860360 /nfs/dbraw/zinc/86/03/60/604860360.db2.gz BVPGVPOAIDVVKE-LRDDRELGSA-N -1 0 386.429 3.681 20 5 GHBDRM 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C[C@@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000833801537 605909151 /nfs/dbraw/zinc/90/91/51/605909151.db2.gz UXSPKMKDSVPPMD-AWEZNQCLSA-N -1 0 389.452 3.502 20 5 GHBDRM O=C([O-])N1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c2ccccc21 ZINC000834102114 605929586 /nfs/dbraw/zinc/92/95/86/605929586.db2.gz AHYIIURPRKKHRJ-UHFFFAOYSA-N -1 0 375.768 3.783 20 5 GHBDRM CC(C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 ZINC000580747393 837399253 /nfs/dbraw/zinc/39/92/53/837399253.db2.gz VCZMDTBXACNOPD-UHFFFAOYSA-N -1 0 386.433 3.705 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1nc2c(s1)CCCC2(C)C ZINC000584443100 834630695 /nfs/dbraw/zinc/63/06/95/834630695.db2.gz VWKHCHVNOHNQRN-UHFFFAOYSA-N -1 0 381.479 3.774 20 5 GHBDRM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000187081704 835004329 /nfs/dbraw/zinc/00/43/29/835004329.db2.gz KFJNAAJEQPMKIO-PIGZYNQJSA-N -1 0 376.796 3.556 20 5 GHBDRM 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ZINC000585733197 842222638 /nfs/dbraw/zinc/22/26/38/842222638.db2.gz CMTAOZNYHLAZCJ-UHFFFAOYSA-N -1 0 390.421 3.538 20 5 GHBDRM Cc1cc(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)cc([N+](=O)[O-])c1C ZINC000548267921 842343860 /nfs/dbraw/zinc/34/38/60/842343860.db2.gz SWYZZYWIQPHWRY-GFCCVEGCSA-N -1 0 392.433 3.591 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000131457507 861403563 /nfs/dbraw/zinc/40/35/63/861403563.db2.gz DWYSBTDMHNAMQP-OAHLLOKOSA-N -1 0 397.214 3.821 20 5 GHBDRM O=C(N=c1[n-]nc([C@@H]2CCCc3ccccc32)s1)c1ccc([N+](=O)[O-])cc1 ZINC000432627784 843330990 /nfs/dbraw/zinc/33/09/90/843330990.db2.gz WDKRQDFYAPXMSV-MRXNPFEDSA-N -1 0 380.429 3.589 20 5 GHBDRM CC(C)(C)OCc1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000610647633 843355070 /nfs/dbraw/zinc/35/50/70/843355070.db2.gz SDINJYJRWMPPER-UHFFFAOYSA-N -1 0 382.413 3.850 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC(F)F ZINC000513433884 845430894 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CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc([N+](=O)[O-])c1C ZINC000522514712 861996512 /nfs/dbraw/zinc/99/65/12/861996512.db2.gz MQGLPGCASGGTTD-UHFFFAOYSA-N -1 0 398.824 3.534 20 5 GHBDRM CCCCCc1nnc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])s1 ZINC000176592102 849429041 /nfs/dbraw/zinc/42/90/41/849429041.db2.gz MVBUTKYDGONDKB-UHFFFAOYSA-N -1 0 384.483 3.597 20 5 GHBDRM CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000176595314 849453198 /nfs/dbraw/zinc/45/31/98/849453198.db2.gz ZKUMXLAJCSVCBD-UHFFFAOYSA-N -1 0 390.874 3.804 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cccc4ccccc43)n[nH]2)c1 ZINC000434962807 849932431 /nfs/dbraw/zinc/93/24/31/849932431.db2.gz NYXUGAZDJXKIKJ-UHFFFAOYSA-N -1 0 394.412 3.939 20 5 GHBDRM COCc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000424087746 850209526 /nfs/dbraw/zinc/20/95/26/850209526.db2.gz RYAOQANSZWOUKC-UHFFFAOYSA-N -1 0 384.841 3.812 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2noc(=NC[C@@H]3CCCO[C@@H]3c3ccccc3)[n-]2)cc1 ZINC000486932562 850260685 /nfs/dbraw/zinc/26/06/85/850260685.db2.gz DCTNVUOEIOQDTF-FUHWJXTLSA-N -1 0 380.404 3.647 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cnccc2-c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000439881511 850541023 /nfs/dbraw/zinc/54/10/23/850541023.db2.gz WAZBNAAVSCRXCN-UHFFFAOYSA-N -1 0 387.392 3.905 20 5 GHBDRM O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000506758074 850786386 /nfs/dbraw/zinc/78/63/86/850786386.db2.gz JREJDCDCIRJNBU-UHFFFAOYSA-N -1 0 376.781 3.725 20 5 GHBDRM O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000506761125 850807456 /nfs/dbraw/zinc/80/74/56/850807456.db2.gz XJDXJUSOBCUYCW-UHFFFAOYSA-N -1 0 383.404 3.615 20 5 GHBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000174922333 851125115 /nfs/dbraw/zinc/12/51/15/851125115.db2.gz JSEKSNVNUFQSLS-UHFFFAOYSA-N -1 0 386.589 3.672 20 5 GHBDRM COc1c(F)cc(S(=O)(=O)[N-]c2c(C)cccc2SC)cc1[N+](=O)[O-] ZINC000488300544 851376282 /nfs/dbraw/zinc/37/62/82/851376282.db2.gz PDIBPVXPQPOJFG-UHFFFAOYSA-N -1 0 386.426 3.574 20 5 GHBDRM O=C([O-])C[C@H](c1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000604498355 862257138 /nfs/dbraw/zinc/25/71/38/862257138.db2.gz UOLZHGYWJOMILN-OAHLLOKOSA-N -1 0 388.445 3.767 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)c(Cl)c1 ZINC000020566867 862263090 /nfs/dbraw/zinc/26/30/90/862263090.db2.gz RNRASAJZYRVRCO-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM O=C(Nc1cccc2c1CN(c1nccs1)C2)c1cccc([N+](=O)[O-])c1[O-] ZINC000436524951 852013757 /nfs/dbraw/zinc/01/37/57/852013757.db2.gz LSTRZVKYTFDRLO-UHFFFAOYSA-N -1 0 382.401 3.529 20 5 GHBDRM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000436603956 852103558 /nfs/dbraw/zinc/10/35/58/852103558.db2.gz CBZOQBIRCFOWPE-UHFFFAOYSA-N -1 0 398.824 3.656 20 5 GHBDRM O=C(NCCCCc1nc(-c2cccnc2)cs1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506194769 852170869 /nfs/dbraw/zinc/17/08/69/852170869.db2.gz ZBHSFKDJWOFHEK-UHFFFAOYSA-N -1 0 398.444 3.572 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000436820791 852389899 /nfs/dbraw/zinc/38/98/99/852389899.db2.gz SCWJPHSOGZNQKC-UHFFFAOYSA-N -1 0 396.230 3.570 20 5 GHBDRM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000517788655 852406417 /nfs/dbraw/zinc/40/64/17/852406417.db2.gz KUIIXAVHIRNKFS-ZETCQYMHSA-N -1 0 395.186 3.911 20 5 GHBDRM C[C@@H](NC(=O)c1cc(F)cc(Br)c1[O-])c1ccccc1[N+](=O)[O-] ZINC000436852317 852418426 /nfs/dbraw/zinc/41/84/26/852418426.db2.gz PAMKKNKRRVVTSJ-MRVPVSSYSA-N -1 0 383.173 3.693 20 5 GHBDRM O=C([O-])[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccsc1 ZINC000426836054 852443507 /nfs/dbraw/zinc/44/35/07/852443507.db2.gz SUIBNOOUXXQOMN-CQSZACIVSA-N -1 0 375.431 3.695 20 5 GHBDRM CN(C(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1)c1ccccc1 ZINC000436959311 852548954 /nfs/dbraw/zinc/54/89/54/852548954.db2.gz MQDOOIGITQKGEB-UHFFFAOYSA-N -1 0 391.383 3.829 20 5 GHBDRM Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436974289 852557651 /nfs/dbraw/zinc/55/76/51/852557651.db2.gz XRFRZXLXKRUABI-UHFFFAOYSA-N -1 0 397.431 3.924 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc3c(ccc4c3CCCC4)s2)cc1 ZINC000507306351 852767683 /nfs/dbraw/zinc/76/76/83/852767683.db2.gz UGIXXQSRHHWJDU-UHFFFAOYSA-N -1 0 389.458 3.884 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)c([N+](=O)[O-])c1 ZINC000438756727 852808451 /nfs/dbraw/zinc/80/84/51/852808451.db2.gz QDWIRKGLBGNFKI-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM Cc1c(Br)cc(S(=O)(=O)[N-]c2ccsc2)cc1[N+](=O)[O-] ZINC000438781317 852846717 /nfs/dbraw/zinc/84/67/17/852846717.db2.gz VCUIOIFZSVJNIX-UHFFFAOYSA-N -1 0 377.241 3.528 20 5 GHBDRM Nc1c(Cl)cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Cl ZINC000912980667 852945012 /nfs/dbraw/zinc/94/50/12/852945012.db2.gz ZRTLXVYPPDPWAU-UHFFFAOYSA-N -1 0 396.639 3.938 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2cccnc12 ZINC000481861683 862417697 /nfs/dbraw/zinc/41/76/97/862417697.db2.gz PGAGICDAUUIRGM-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1C ZINC000427350890 853015704 /nfs/dbraw/zinc/01/57/04/853015704.db2.gz WKFULEGKKYSJMD-UHFFFAOYSA-N -1 0 387.417 3.976 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)cc1 ZINC000507638539 853117880 /nfs/dbraw/zinc/11/78/80/853117880.db2.gz SUZAXDZBOWHXSX-UHFFFAOYSA-N -1 0 385.373 3.943 20 5 GHBDRM COc1cc([C@@H](C)Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])ccc1OCC(C)C ZINC000519652017 853358349 /nfs/dbraw/zinc/35/83/49/853358349.db2.gz OAUMACAKYWGKEU-GFCCVEGCSA-N -1 0 389.408 3.905 20 5 GHBDRM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000055638480 854042594 /nfs/dbraw/zinc/04/25/94/854042594.db2.gz FTXDSAVOHAPONR-UHFFFAOYSA-N -1 0 397.840 3.788 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(Cc2ccccc2)ccc1O ZINC000481980110 862590066 /nfs/dbraw/zinc/59/00/66/862590066.db2.gz LKQIVFPIOBRSDO-UHFFFAOYSA-N -1 0 384.413 3.692 20 5 GHBDRM Cc1ccc(C2(NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CCC2)cc1 ZINC001212384001 854830699 /nfs/dbraw/zinc/83/06/99/854830699.db2.gz KYMMZXIRBSLHAL-UHFFFAOYSA-N -1 0 380.853 3.914 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2N2CCCCC2)cc1 ZINC000589558176 855025249 /nfs/dbraw/zinc/02/52/49/855025249.db2.gz NMIMIMVLKWASBB-UHFFFAOYSA-N -1 0 397.403 3.664 20 5 GHBDRM O=C([O-])c1cc(NCc2ccc(COCC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000554530150 855922687 /nfs/dbraw/zinc/92/26/87/855922687.db2.gz RWPQDZXKISCAJT-UHFFFAOYSA-N -1 0 384.310 3.984 20 5 GHBDRM O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164262172 862743916 /nfs/dbraw/zinc/74/39/16/862743916.db2.gz VLSKHMWTOUMXBE-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2ccc(Cl)cc2s1 ZINC000057734954 856009705 /nfs/dbraw/zinc/00/97/05/856009705.db2.gz NDVXQTHILFNFMJ-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccnc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000554735945 856041260 /nfs/dbraw/zinc/04/12/60/856041260.db2.gz QTXBOMISYNPXJH-UHFFFAOYSA-N -1 0 395.746 3.771 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000171342742 856097600 /nfs/dbraw/zinc/09/76/00/856097600.db2.gz ULTQXDAFICIWFC-JTQLQIEISA-N -1 0 384.845 3.525 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-c2ccncc2)c(C)c1 ZINC000427625816 856104633 /nfs/dbraw/zinc/10/46/33/856104633.db2.gz IBIIBQGTJIZPFJ-UHFFFAOYSA-N -1 0 399.428 3.775 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485393758 856454367 /nfs/dbraw/zinc/45/43/67/856454367.db2.gz PRXMTAXLMGSZLC-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c2cccnc12 ZINC000486639822 857930947 /nfs/dbraw/zinc/93/09/47/857930947.db2.gz QTGGWOPHQZSAHQ-UHFFFAOYSA-N -1 0 387.417 3.569 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000486697615 858004067 /nfs/dbraw/zinc/00/40/67/858004067.db2.gz DVVVNUHGDKARJA-MRVPVSSYSA-N -1 0 389.207 3.758 20 5 GHBDRM COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592769354 858225969 /nfs/dbraw/zinc/22/59/69/858225969.db2.gz UDRQBKYSEUSIOJ-LLVKDONJSA-N -1 0 378.812 3.666 20 5 GHBDRM COc1ccc(C)cc1-c1csc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000010580712 858391392 /nfs/dbraw/zinc/39/13/92/858391392.db2.gz MYDRENFTUHOHHY-UHFFFAOYSA-N -1 0 385.401 3.993 20 5 GHBDRM O=C([O-])c1ccnc(NCc2ccc(OCc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000592968745 858458786 /nfs/dbraw/zinc/45/87/86/858458786.db2.gz FSALKSKJKFJRCM-UHFFFAOYSA-N -1 0 379.372 3.879 20 5 GHBDRM C[C@H](c1ccsc1)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000567948774 863036474 /nfs/dbraw/zinc/03/64/74/863036474.db2.gz LYPQQSVDYBVZPF-LLVKDONJSA-N -1 0 395.868 3.534 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)c(Br)c1 ZINC000314904610 858639194 /nfs/dbraw/zinc/63/91/94/858639194.db2.gz CSXYHWLNNJFPFI-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000543164616 858697188 /nfs/dbraw/zinc/69/71/88/858697188.db2.gz UDTNAEQPEXNXCQ-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM COc1cc(C)c(Br)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185041667 859026102 /nfs/dbraw/zinc/02/61/02/859026102.db2.gz CJWIJMZXGWKPPX-UHFFFAOYSA-N -1 0 381.182 3.632 20 5 GHBDRM CC[C@@H](C)Oc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1 ZINC000499176886 881376979 /nfs/dbraw/zinc/37/69/79/881376979.db2.gz QHSNRHPUSIZRMB-GFCCVEGCSA-N -1 0 380.422 3.587 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1C ZINC000060436804 859272326 /nfs/dbraw/zinc/27/23/26/859272326.db2.gz OKJGUKONPDYTIU-UHFFFAOYSA-N -1 0 390.339 3.911 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000262221718 859284312 /nfs/dbraw/zinc/28/43/12/859284312.db2.gz RCZABIAPMFIDET-INIZCTEOSA-N -1 0 382.416 3.717 20 5 GHBDRM O=[N+]([O-])c1cccc2ncnc(Sc3n[n-]c(=Nc4ccccc4)s3)c21 ZINC000543435435 859710007 /nfs/dbraw/zinc/71/00/07/859710007.db2.gz UFSMJMBOOAXUDJ-UHFFFAOYSA-N -1 0 382.430 3.706 20 5 GHBDRM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cc2cccc(F)c2o1 ZINC000474387417 859977430 /nfs/dbraw/zinc/97/74/30/859977430.db2.gz HJGUWFLZICHMFX-VIFPVBQESA-N -1 0 382.344 3.659 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000020004783 860462257 /nfs/dbraw/zinc/46/22/57/860462257.db2.gz HIMXHMJOISJYMH-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000598660157 860475826 /nfs/dbraw/zinc/47/58/26/860475826.db2.gz MDIQWLHNNNSUTC-IRXDYDNUSA-N -1 0 388.807 3.608 20 5 GHBDRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000598662189 860477853 /nfs/dbraw/zinc/47/78/53/860477853.db2.gz RIZVQDXQGGVIRN-OALUTQOASA-N -1 0 397.431 3.604 20 5 GHBDRM Cc1nc(COc2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])c2)cs1 ZINC000124924471 860532195 /nfs/dbraw/zinc/53/21/95/860532195.db2.gz RLASDJGCXVJSEA-UHFFFAOYSA-N -1 0 385.401 3.897 20 5 GHBDRM Cc1ccc(C(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)c(C)c1 ZINC000603596050 860855713 /nfs/dbraw/zinc/85/57/13/860855713.db2.gz LFBMETUSKRHORA-UHFFFAOYSA-N -1 0 382.416 3.652 20 5 GHBDRM COc1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c(OC)c1 ZINC000593730712 861097081 /nfs/dbraw/zinc/09/70/81/861097081.db2.gz YOLVPPHCZVVYET-GOSISDBHSA-N -1 0 386.404 3.647 20 5 GHBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000593924374 863380765 /nfs/dbraw/zinc/38/07/65/863380765.db2.gz ZFZJXVVMONTXPB-GDBMZVCRSA-N -1 0 386.429 3.750 20 5 GHBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000554262300 864007569 /nfs/dbraw/zinc/00/75/69/864007569.db2.gz ATCBMKVZBUWJTA-ZDUSSCGKSA-N -1 0 378.837 3.961 20 5 GHBDRM Cc1c(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])oc2ccccc12 ZINC000734498752 864255120 /nfs/dbraw/zinc/25/51/20/864255120.db2.gz WCEQJKFOSRXMTG-UHFFFAOYSA-N -1 0 380.809 3.781 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C1CC1 ZINC000554689260 864746088 /nfs/dbraw/zinc/74/60/88/864746088.db2.gz HDHZYPSNXXUWOG-UHFFFAOYSA-N -1 0 392.481 3.688 20 5 GHBDRM Cc1nc2ccc([N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])cc2s1 ZINC000480732731 865162942 /nfs/dbraw/zinc/16/29/42/865162942.db2.gz OGVPEXVYWVMLBO-UHFFFAOYSA-N -1 0 377.447 3.931 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)s2)ccc1[N+](=O)[O-] ZINC000121306768 865420907 /nfs/dbraw/zinc/42/09/07/865420907.db2.gz GEEYNEBOELWONQ-UHFFFAOYSA-N -1 0 391.430 3.528 20 5 GHBDRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(C)cc1 ZINC000739192936 865687560 /nfs/dbraw/zinc/68/75/60/865687560.db2.gz SGZCXHLRSDLSMW-HNNXBMFYSA-N -1 0 390.461 3.600 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1nc2cc(Cl)ccc2s1 ZINC000608927983 865833200 /nfs/dbraw/zinc/83/32/00/865833200.db2.gz WDQWMQRNHOYKKK-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3cc([N+](=O)[O-])ccc3n2)cc1F ZINC000183132201 866243244 /nfs/dbraw/zinc/24/32/44/866243244.db2.gz SHZQAWGFNLDLSA-UHFFFAOYSA-N -1 0 379.344 3.530 20 5 GHBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1nc2cc(Cl)ccc2s1 ZINC000183379801 866656581 /nfs/dbraw/zinc/65/65/81/866656581.db2.gz BIPPTURPTNMWBY-UHFFFAOYSA-N -1 0 383.838 3.800 20 5 GHBDRM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000475606924 866803794 /nfs/dbraw/zinc/80/37/94/866803794.db2.gz VIAKOLJYKCNUKG-CYBMUJFWSA-N -1 0 383.404 3.567 20 5 GHBDRM O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000444532876 866843438 /nfs/dbraw/zinc/84/34/38/866843438.db2.gz AXNZOTKJOQJVEO-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000742027416 867015781 /nfs/dbraw/zinc/01/57/81/867015781.db2.gz DSUVSHWDLMFJQU-UHFFFAOYSA-N -1 0 382.413 3.939 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000016730399 867053925 /nfs/dbraw/zinc/05/39/25/867053925.db2.gz HBKJOVNQCXPSGU-UHFFFAOYSA-N -1 0 376.312 3.603 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Oc1ccncc1 ZINC000195349531 882127051 /nfs/dbraw/zinc/12/70/51/882127051.db2.gz WKSHJJGYYWUSRB-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000479602297 868165788 /nfs/dbraw/zinc/16/57/88/868165788.db2.gz AZJNSFHSKIFAAI-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM CCOc1cc(-c2noc(-c3cc([N+](=O)[O-])cnc3C)n2)cc(Cl)c1[O-] ZINC000445407608 868390264 /nfs/dbraw/zinc/39/02/64/868390264.db2.gz PSFDMLUZYQUMHK-UHFFFAOYSA-N -1 0 376.756 3.773 20 5 GHBDRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000744001980 868523861 /nfs/dbraw/zinc/52/38/61/868523861.db2.gz SGWOAZNIAANEEL-LLVKDONJSA-N -1 0 376.862 3.660 20 5 GHBDRM CCOc1cccc2[nH]cc(Cc3noc(-c4ccc([N+](=O)[O-])c([O-])c4)n3)c21 ZINC000445729512 868889781 /nfs/dbraw/zinc/88/97/81/868889781.db2.gz AYZFPBYPPYRJBX-UHFFFAOYSA-N -1 0 380.360 3.821 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1cc(Br)cc2c1OCC2 ZINC000462364327 869315351 /nfs/dbraw/zinc/31/53/51/869315351.db2.gz HTAFMBLZLHLEBM-OWOJBTEDSA-N -1 0 391.177 3.556 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000539596951 869403509 /nfs/dbraw/zinc/40/35/09/869403509.db2.gz IHGPGOYMTXJMKY-UHFFFAOYSA-N -1 0 379.781 3.704 20 5 GHBDRM Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000462521776 869590098 /nfs/dbraw/zinc/59/00/98/869590098.db2.gz DCVHYBMEPOFWAX-UHFFFAOYSA-N -1 0 381.262 3.750 20 5 GHBDRM C[C@@H](OC(=O)c1ccc([O-])c(Cl)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000746074737 869988561 /nfs/dbraw/zinc/98/85/61/869988561.db2.gz MPMISRSATWSCDT-SECBINFHSA-N -1 0 389.751 3.922 20 5 GHBDRM C[C@H](NC(=O)c1cc(Br)cc(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000462883469 870295547 /nfs/dbraw/zinc/29/55/47/870295547.db2.gz LTAMBUAAJQSPFG-VIFPVBQESA-N -1 0 393.193 3.547 20 5 GHBDRM Cc1sc(Br)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C ZINC000122334472 870432307 /nfs/dbraw/zinc/43/23/07/870432307.db2.gz ZIYRBKWMZZAAAT-UHFFFAOYSA-N -1 0 391.268 3.836 20 5 GHBDRM O=C(Cc1csc(-c2ccccn2)n1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000181540118 871140930 /nfs/dbraw/zinc/14/09/30/871140930.db2.gz SRGZWMABMCVTCP-UHFFFAOYSA-N -1 0 390.808 3.654 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000181540246 871141717 /nfs/dbraw/zinc/14/17/17/871141717.db2.gz VEPGRKVOGDPJIJ-UHFFFAOYSA-N -1 0 385.763 3.765 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1c2ccccc2CC[C@H]1F ZINC001194047161 871462917 /nfs/dbraw/zinc/46/29/17/871462917.db2.gz WOIUZUANEBKOAP-CJNGLKHVSA-N -1 0 384.816 3.552 20 5 GHBDRM O=c1cc(CNc2nc3ccsc3c(Oc3cccc([N+](=O)[O-])c3)n2)o[n-]1 ZINC001169482471 871532139 /nfs/dbraw/zinc/53/21/39/871532139.db2.gz RMMVIZXUQOYJTM-UHFFFAOYSA-N -1 0 385.361 3.698 20 5 GHBDRM COc1ccc2c([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)noc2c1 ZINC000794043208 882545405 /nfs/dbraw/zinc/54/54/05/882545405.db2.gz RVKVBIZNMDRHIV-UHFFFAOYSA-N -1 0 397.796 3.507 20 5 GHBDRM Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000101850488 872323307 /nfs/dbraw/zinc/32/33/07/872323307.db2.gz ILEXYOXKJHOXEN-UHFFFAOYSA-N -1 0 387.392 3.905 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@H]2CCCc3ccccc3C2)c1 ZINC001195585172 872487204 /nfs/dbraw/zinc/48/72/04/872487204.db2.gz RQXATLAYTFBNPF-ZDUSSCGKSA-N -1 0 398.843 3.613 20 5 GHBDRM O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000137989487 872687997 /nfs/dbraw/zinc/68/79/97/872687997.db2.gz BBZMJKCFIXWSEK-UHFFFAOYSA-N -1 0 391.355 3.878 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000152962289 872748683 /nfs/dbraw/zinc/74/86/83/872748683.db2.gz BNKIAFDXZLEBLZ-CYBMUJFWSA-N -1 0 390.823 3.885 20 5 GHBDRM COc1cc(/C=C/c2nc(-c3ccccc3)ncc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000443446858 872759874 /nfs/dbraw/zinc/75/98/74/872759874.db2.gz UZRIGVXORQHYPX-VQHVLOKHSA-N -1 0 377.356 3.929 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ncc(C3CCCCC3)s2)cc1[N+](=O)[O-] ZINC000541072531 872851985 /nfs/dbraw/zinc/85/19/85/872851985.db2.gz MMIAFIJUARVVBC-UHFFFAOYSA-N -1 0 397.478 3.908 20 5 GHBDRM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)c1 ZINC000541309171 873333534 /nfs/dbraw/zinc/33/35/34/873333534.db2.gz VCOZRWLFRRRLOH-AWEZNQCLSA-N -1 0 380.388 3.525 20 5 GHBDRM CCOC(=O)c1cnc(/C=C\c2cc([N+](=O)[O-])ccc2Cl)c(C(=O)[O-])c1 ZINC000769262475 873931472 /nfs/dbraw/zinc/93/14/72/873931472.db2.gz YEDBTFHJCMMJIU-UTCJRWHESA-N -1 0 376.752 3.689 20 5 GHBDRM COc1cc(Cl)c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1OC ZINC000541822342 874337712 /nfs/dbraw/zinc/33/77/12/874337712.db2.gz GXUCPMMXMUGBHW-UHFFFAOYSA-N -1 0 387.175 3.877 20 5 GHBDRM CCc1c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cnn1CCC(C)C ZINC000491601835 875835737 /nfs/dbraw/zinc/83/57/37/875835737.db2.gz ORPAVVHNNGOCCF-UHFFFAOYSA-N -1 0 394.497 3.817 20 5 GHBDRM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491855937 875990142 /nfs/dbraw/zinc/99/01/42/875990142.db2.gz YSEUMGRPYNVFGA-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)c(Br)c1 ZINC000129923516 876010587 /nfs/dbraw/zinc/01/05/87/876010587.db2.gz BCZHXRJXBCJRQZ-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ncc(-c2ccccc2F)s1 ZINC000549990959 876228695 /nfs/dbraw/zinc/22/86/95/876228695.db2.gz FXYYIOBORZAIQS-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM CCOc1cc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc(Cl)c1OC ZINC000609337016 883032055 /nfs/dbraw/zinc/03/20/55/883032055.db2.gz UHMWXRBGYAOLBX-PLNGDYQASA-N -1 0 378.768 3.919 20 5 GHBDRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000450715479 876809729 /nfs/dbraw/zinc/80/97/29/876809729.db2.gz IGHVGDKZQOXLGU-QGZVFWFLSA-N -1 0 395.463 3.833 20 5 GHBDRM CC(C)(C(=O)[N-]OCc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC000786893329 877012326 /nfs/dbraw/zinc/01/23/26/877012326.db2.gz GWUAGTLGLJGGTL-UHFFFAOYSA-N -1 0 393.237 3.883 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C3CC3)n2)c(C(F)(F)F)c1 ZINC000451041654 877254128 /nfs/dbraw/zinc/25/41/28/877254128.db2.gz ODLNKAPVMVRDPH-UHFFFAOYSA-N -1 0 387.339 3.687 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc(CC(F)(F)F)cs2)cc1C ZINC000451055702 877290799 /nfs/dbraw/zinc/29/07/99/877290799.db2.gz MGHQYAFTYTYGHH-UHFFFAOYSA-N -1 0 395.384 3.574 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C)cc(C(F)(F)F)c1 ZINC000616960191 879269466 /nfs/dbraw/zinc/26/94/66/879269466.db2.gz JOMCBJKDVHJQTA-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM O=[N+]([O-])c1ccc(CN=c2[n-]nc(-c3cccc(OC(F)F)c3)o2)c(Cl)c1 ZINC000461228194 879386599 /nfs/dbraw/zinc/38/65/99/879386599.db2.gz VFOZSJOAGYQBGU-UHFFFAOYSA-N -1 0 396.737 3.934 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc([N+](=O)[O-])c1 ZINC000263556405 879466124 /nfs/dbraw/zinc/46/61/24/879466124.db2.gz ZAJHFWWTPINAKU-GUDVDZBRSA-N -1 0 380.400 3.701 20 5 GHBDRM CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000520111957 879676612 /nfs/dbraw/zinc/67/66/12/879676612.db2.gz OQHFADXNERMKQZ-UHFFFAOYSA-N -1 0 376.818 3.910 20 5 GHBDRM CN(c1ccccc1)c1ccc(CN=c2[n-]nc([C@@H]3CCCO3)o2)cc1[N+](=O)[O-] ZINC000538592945 879764533 /nfs/dbraw/zinc/76/45/33/879764533.db2.gz KOKLYKDXWHEJHI-SFHVURJKSA-N -1 0 395.419 3.631 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237568027 880316074 /nfs/dbraw/zinc/31/60/74/880316074.db2.gz QULDSPVHAKNYEW-HNNXBMFYSA-N -1 0 380.759 3.642 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2SC)cc1[N+](=O)[O-] ZINC000064374954 883228976 /nfs/dbraw/zinc/22/89/76/883228976.db2.gz ZSTCWERRPBOYFG-UHFFFAOYSA-N -1 0 388.854 3.780 20 5 GHBDRM CN(C)C(=O)Sc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])ccc1Cl ZINC000805434580 883817964 /nfs/dbraw/zinc/81/79/64/883817964.db2.gz SLSPSLWXJOWVLA-UHFFFAOYSA-N -1 0 395.824 3.980 20 5 GHBDRM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000475799574 883960722 /nfs/dbraw/zinc/96/07/22/883960722.db2.gz SQJNRORHRSRCLK-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=C(NCCCc1ccc(Br)cc1F)c1cc([O-])ccc1[N+](=O)[O-] ZINC000498333800 884085500 /nfs/dbraw/zinc/08/55/00/884085500.db2.gz GVNRKCTYSDJYRJ-UHFFFAOYSA-N -1 0 397.200 3.565 20 5 GHBDRM COc1cc(C(=O)[O-])cc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)c1OC ZINC000556321255 884443985 /nfs/dbraw/zinc/44/39/85/884443985.db2.gz IWDIVDPWAGLJJF-UHFFFAOYSA-N -1 0 398.318 3.524 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cccnc2OCc2ccccc2)cc1[N+](=O)[O-] ZINC000609218822 885474525 /nfs/dbraw/zinc/47/45/25/885474525.db2.gz GMYVHOGBACCLQW-UHFFFAOYSA-N -1 0 399.428 3.678 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2oc(C(C)C)nc2c1 ZINC000032595229 887448496 /nfs/dbraw/zinc/44/84/96/887448496.db2.gz ZCLJKWQHFAQNIA-UHFFFAOYSA-N -1 0 375.406 3.969 20 5 GHBDRM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000794576059 887489245 /nfs/dbraw/zinc/48/92/45/887489245.db2.gz AESHQYDCGXJHHT-UHFFFAOYSA-N -1 0 398.824 3.650 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(C)cc1C ZINC000794613957 887679424 /nfs/dbraw/zinc/67/94/24/887679424.db2.gz PTUYWVRHYKHJBX-UHFFFAOYSA-N -1 0 384.841 3.983 20 5 GHBDRM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809830845 887852182 /nfs/dbraw/zinc/85/21/82/887852182.db2.gz GIGSVHDXOWYLHM-ZCFIWIBFSA-N -1 0 395.186 3.911 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)c(Cl)c1 ZINC000194137380 888053363 /nfs/dbraw/zinc/05/33/63/888053363.db2.gz RZDSXPLUXDZAIY-UHFFFAOYSA-N -1 0 390.808 3.506 20 5 GHBDRM CC(C)OCc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000194432934 888325854 /nfs/dbraw/zinc/32/58/54/888325854.db2.gz HEYNGHDUSLSESI-UHFFFAOYSA-N -1 0 384.841 3.974 20 5 GHBDRM CCCOC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000916102109 888723177 /nfs/dbraw/zinc/72/31/77/888723177.db2.gz XSLCRELVQBISJV-UHFFFAOYSA-N -1 0 398.824 3.616 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)nc2)ccc1[N+](=O)[O-] ZINC000533007939 889509969 /nfs/dbraw/zinc/50/99/69/889509969.db2.gz FRGIDUADVUFDLH-UHFFFAOYSA-N -1 0 399.428 3.678 20 5 GHBDRM COc1cc(C(=O)Nc2ccc(Cl)cc2[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000533159897 889870633 /nfs/dbraw/zinc/87/06/33/889870633.db2.gz DLECMISNFPVWCN-UHFFFAOYSA-N -1 0 388.710 3.816 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)c1F ZINC000811710553 889887062 /nfs/dbraw/zinc/88/70/62/889887062.db2.gz HLDSIGAFCCZAQC-UHFFFAOYSA-N -1 0 393.318 3.565 20 5 GHBDRM O=C([O-])/C=C\c1ccc(NCc2ccnc(N3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000917082625 891017362 /nfs/dbraw/zinc/01/73/62/891017362.db2.gz YOKAGAKIVDLTPT-ALCCZGGFSA-N -1 0 382.420 3.690 20 5 GHBDRM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000917743985 892492451 /nfs/dbraw/zinc/49/24/51/892492451.db2.gz LMPBLWHASVAOJI-UHFFFAOYSA-N -1 0 399.812 3.617 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c(Cl)c1 ZINC000497955105 892823020 /nfs/dbraw/zinc/82/30/20/892823020.db2.gz GQKPREWUDOYIQN-UHFFFAOYSA-N -1 0 382.825 3.838 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1Br ZINC000918143251 893219439 /nfs/dbraw/zinc/21/94/39/893219439.db2.gz QXYNDOKIZOPCJY-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000126108346 893289689 /nfs/dbraw/zinc/28/96/89/893289689.db2.gz RKDPQYRSMVKCQR-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM CN(Cc1ccccc1N1CCCC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563183971 893453134 /nfs/dbraw/zinc/45/31/34/893453134.db2.gz LRKZJLDCDZRYBA-UHFFFAOYSA-N -1 0 389.839 3.826 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cc3sccc3s2)cc([N+](=O)[O-])c1C ZINC000918478922 893787011 /nfs/dbraw/zinc/78/70/11/893787011.db2.gz BUWGGBLBPRKWQJ-UHFFFAOYSA-N -1 0 396.471 3.607 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)[nH]nc1-c1ccccc1 ZINC000536899954 894030474 /nfs/dbraw/zinc/03/04/74/894030474.db2.gz IGOQTERMAHOPQW-UHFFFAOYSA-N -1 0 386.433 3.711 20 5 GHBDRM O=C(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000816795653 895080285 /nfs/dbraw/zinc/08/02/85/895080285.db2.gz JPHFSERHTBSJKK-UXHICEINSA-N -1 0 378.384 3.505 20 5 GHBDRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n[nH]1 ZINC000760318093 895169325 /nfs/dbraw/zinc/16/93/25/895169325.db2.gz QPGLZSWSBAKPAQ-SECBINFHSA-N -1 0 386.861 3.984 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC(OC2CCCCC2)CC1 ZINC000566272845 896210323 /nfs/dbraw/zinc/21/03/23/896210323.db2.gz NFMIVEKCBJGZBR-UHFFFAOYSA-N -1 0 382.844 3.908 20 5 GHBDRM CCn1c2ccccc2nc1[C@H]1CCCN1c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566293671 896220823 /nfs/dbraw/zinc/22/08/23/896220823.db2.gz AOAPHGZXDHWYOJ-MRXNPFEDSA-N -1 0 395.419 3.708 20 5 GHBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(Oc3ccc(C)c(C)c3)CC2)n1 ZINC000566295354 896222044 /nfs/dbraw/zinc/22/20/44/896222044.db2.gz RBNHOEXHGZDMHV-UHFFFAOYSA-N -1 0 385.420 3.661 20 5 GHBDRM O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000567963326 897509895 /nfs/dbraw/zinc/50/98/95/897509895.db2.gz UUPVNLJJGOUBNP-GXTWGEPZSA-N -1 0 380.404 3.633 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000772861816 898663623 /nfs/dbraw/zinc/66/36/23/898663623.db2.gz QAWMBPPFZCHMLI-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@@H](Nc2ccccc2)C1 ZINC000569813818 898966580 /nfs/dbraw/zinc/96/65/80/898966580.db2.gz DTDDVXZABBATEZ-CQSZACIVSA-N -1 0 375.812 3.671 20 5 GHBDRM O=C(NCCCc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1[O-] ZINC001136758714 899172543 /nfs/dbraw/zinc/17/25/43/899172543.db2.gz HBEFRPFCHXPUHX-UHFFFAOYSA-N -1 0 397.200 3.565 20 5 GHBDRM CC[C@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001186260615 914395207 /nfs/dbraw/zinc/39/52/07/914395207.db2.gz AADVDCPVDZGKFZ-LLVKDONJSA-N 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Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCc3cc(C(F)(F)F)ccc3C2)n1 ZINC000600678637 902815278 /nfs/dbraw/zinc/81/52/78/902815278.db2.gz NSYLEKFECTYKPJ-UHFFFAOYSA-N -1 0 381.310 3.578 20 5 GHBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC000600868114 903026996 /nfs/dbraw/zinc/02/69/96/903026996.db2.gz BBZFMGLOJZTDRO-GFCCVEGCSA-N -1 0 390.367 3.763 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)c1C ZINC000779087451 904068243 /nfs/dbraw/zinc/06/82/43/904068243.db2.gz JYVZPKWFUSBVCW-UHFFFAOYSA-N -1 0 398.853 3.671 20 5 GHBDRM O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1cccc([N+](=O)[O-])c1[O-] ZINC001148455284 904074444 /nfs/dbraw/zinc/07/44/44/904074444.db2.gz QYSLSDUVARUKRA-UHFFFAOYSA-N -1 0 390.808 3.648 20 5 GHBDRM CCOC(=O)c1sc2ncccc2c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174502753 907079203 /nfs/dbraw/zinc/07/92/03/907079203.db2.gz GBQGKSYBMBZHFW-UHFFFAOYSA-N -1 0 387.373 3.823 20 5 GHBDRM O=C([O-])c1ccc(Nc2ccc3nnc(-c4cccc(F)c4)n3c2)cc1[N+](=O)[O-] ZINC001174504021 907080405 /nfs/dbraw/zinc/08/04/05/907080405.db2.gz UAQNMHRYSWSBFZ-UHFFFAOYSA-N -1 0 393.334 3.885 20 5 GHBDRM Nc1ccc(C(=O)Nc2ccc(Nc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)cc2)cc1 ZINC001174507285 907082422 /nfs/dbraw/zinc/08/24/22/907082422.db2.gz HCLDYPAMSKLITM-UHFFFAOYSA-N -1 0 392.371 3.871 20 5 GHBDRM COC(=O)c1cccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1Br ZINC001174508475 907082494 /nfs/dbraw/zinc/08/24/94/907082494.db2.gz YTFWHNNVMDMWKM-UHFFFAOYSA-N -1 0 395.165 3.586 20 5 GHBDRM O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779666389 908094204 /nfs/dbraw/zinc/09/42/04/908094204.db2.gz JRSDQDBJFODKHV-UHFFFAOYSA-N -1 0 386.751 3.788 20 5 GHBDRM Nc1cc(Br)cc2c1ccn2-c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176676881 908205749 /nfs/dbraw/zinc/20/57/49/908205749.db2.gz LFABQHBDQHRCLY-UHFFFAOYSA-N -1 0 376.166 3.582 20 5 GHBDRM Nc1ccc(C(=O)Nc2ccc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1 ZINC001176678853 908206780 /nfs/dbraw/zinc/20/67/80/908206780.db2.gz BOMMZMICYPZUID-UHFFFAOYSA-N -1 0 392.371 3.871 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)nc1 ZINC000194022888 908840243 /nfs/dbraw/zinc/84/02/43/908840243.db2.gz FXHQSKLOPWWSQG-UHFFFAOYSA-N -1 0 389.364 3.722 20 5 GHBDRM Cc1cccc([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])c1 ZINC000795276952 909656233 /nfs/dbraw/zinc/65/62/33/909656233.db2.gz FLOULQYTJIPBPZ-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM COc1ccc2cc([N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])ccc2c1 ZINC000795368109 910072995 /nfs/dbraw/zinc/07/29/95/910072995.db2.gz UFFHUAYIPPYAJE-UHFFFAOYSA-N -1 0 376.365 3.697 20 5 GHBDRM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000901789706 921567553 /nfs/dbraw/zinc/56/75/53/921567553.db2.gz NHIUSUYCXLMIDR-GFCCVEGCSA-N -1 0 387.141 3.741 20 5 GHBDRM CC(C)Oc1cc(Br)cc(-c2noc(-c3nc[n-]c3[N+](=O)[O-])n2)c1 ZINC001212893075 911370574 /nfs/dbraw/zinc/37/05/74/911370574.db2.gz LKUQVUFUDCHKLJ-UHFFFAOYSA-N -1 0 394.185 3.585 20 5 GHBDRM Cc1csc(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c1 ZINC001190504283 917370716 /nfs/dbraw/zinc/37/07/16/917370716.db2.gz OVBZFTBFAOXRAW-UHFFFAOYSA-N -1 0 381.262 3.750 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1[N+](=O)[O-] ZINC000119058777 919604413 /nfs/dbraw/zinc/60/44/13/919604413.db2.gz GYFSNVVJNINNCM-UHFFFAOYSA-N -1 0 381.460 3.889 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)cc1[N+](=O)[O-] ZINC000119185961 919610308 /nfs/dbraw/zinc/61/03/08/919610308.db2.gz JKJUEVGGKPUYKO-UHFFFAOYSA-N -1 0 391.430 3.953 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nc(Cc3ccccc3)cs2)cs1 ZINC000119986823 919675173 /nfs/dbraw/zinc/67/51/73/919675173.db2.gz ULSYVWYQWNBHHR-UHFFFAOYSA-N -1 0 381.460 3.504 20 5 GHBDRM CCC1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCN(C(=O)c2ccccc2)CC1 ZINC000368381182 922636697 /nfs/dbraw/zinc/63/66/97/922636697.db2.gz UGKNLLGGZOWVIS-UHFFFAOYSA-N -1 0 397.431 3.572 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000803103847 922701806 /nfs/dbraw/zinc/70/18/06/922701806.db2.gz ZNYSVIVCMSPUBR-LBPRGKRZSA-N -1 0 380.322 3.949 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2ccccc2NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000410399451 925616503 /nfs/dbraw/zinc/61/65/03/925616503.db2.gz FGCOBZFNFUREER-UHFFFAOYSA-N -1 0 379.438 3.615 20 5 GHBDRM CC(C)(C)Sc1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000726765488 926840887 /nfs/dbraw/zinc/84/08/87/926840887.db2.gz CNRQGZPVWLEFEF-UHFFFAOYSA-N -1 0 382.463 3.992 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)c1 ZINC000758401146 930033638 /nfs/dbraw/zinc/03/36/38/930033638.db2.gz AVYCJLRUGSEYKM-UHFFFAOYSA-N -1 0 389.405 3.722 20 5 GHBDRM COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000470380597 930573149 /nfs/dbraw/zinc/57/31/49/930573149.db2.gz AAZAJPDMSHTPPV-SNVBAGLBSA-N -1 0 380.784 3.620 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000783801134 931659096 /nfs/dbraw/zinc/65/90/96/931659096.db2.gz YIZVVBWPHKTPOM-UHFFFAOYSA-N -1 0 385.785 3.574 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c1 ZINC000783846457 931688369 /nfs/dbraw/zinc/68/83/69/931688369.db2.gz OCZATDYVUORJCN-UHFFFAOYSA-N -1 0 377.205 3.716 20 5 GHBDRM CCC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001116059385 933310945 /nfs/dbraw/zinc/31/09/45/933310945.db2.gz WHIYDSLJMQNIQV-HNNXBMFYSA-N -1 0 382.482 3.786 20 5 GHBDRM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000777823137 933630525 /nfs/dbraw/zinc/63/05/25/933630525.db2.gz APUUIJWSFBHCLN-UHFFFAOYSA-N -1 0 386.147 3.697 20 5 GHBDRM CC(C)c1nc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)nn1-c1cccc(F)c1 ZINC000561791971 934454989 /nfs/dbraw/zinc/45/49/89/934454989.db2.gz HLNGUQFPECDKRZ-UHFFFAOYSA-N -1 0 387.346 3.829 20 5 GHBDRM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC001137588369 935604626 /nfs/dbraw/zinc/60/46/26/935604626.db2.gz YFPYAPQIEQNQBF-QGZVFWFLSA-N -1 0 394.431 3.930 20 5 GHBDRM O=C(N[C@@H]1CC12CCCCC2)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001137898628 935854023 /nfs/dbraw/zinc/85/40/23/935854023.db2.gz BNMYTWYTXMWYOT-OAHLLOKOSA-N -1 0 390.827 3.592 20 5 GHBDRM O=C([O-])[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000576808848 939741844 /nfs/dbraw/zinc/74/18/44/939741844.db2.gz RUUMWCZPJGINRL-ZDUSSCGKSA-N -1 0 384.175 3.849 20 5 GHBDRM O=C([O-])c1c(F)ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1Cl ZINC001594714444 956908934 /nfs/dbraw/zinc/90/89/34/956908934.db2.gz VPFZNZLKZCFSCT-UHFFFAOYSA-N -1 0 391.742 3.679 20 5 GHBDRM CC[C@@H](NC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001573931516 961578729 /nfs/dbraw/zinc/57/87/29/961578729.db2.gz YQGJKZXCBVZCQE-KZNAEPCWSA-N -1 0 383.404 3.658 20 5 GHBDRM CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C(=O)[O-] ZINC001588854596 961962936 /nfs/dbraw/zinc/96/29/36/961962936.db2.gz DUULBRSWNGRNAB-MRXNPFEDSA-N -1 0 399.447 3.684 20 5 GHBDRM CCCN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c2cc(F)ccc21 ZINC001625788048 1014163922 /nfs/dbraw/zinc/16/39/22/1014163922.db2.gz MKEIXRIJLFWMGS-UHFFFAOYSA-N -1 0 393.802 3.970 20 5 GHBDRM CC[C@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC001603943584 974426874 /nfs/dbraw/zinc/42/68/74/974426874.db2.gz LYGGVLZGBJJALD-OTWHNJEPSA-N -1 0 397.431 3.556 20 5 GHBDRM O=C([O-])CCCOc1ccc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000575992242 974804989 /nfs/dbraw/zinc/80/49/89/974804989.db2.gz WDSKTPFXPZYNOE-UHFFFAOYSA-N -1 0 399.325 3.864 20 5 GHBDRM CC(C)Oc1cc(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001591750947 975800461 /nfs/dbraw/zinc/80/04/61/975800461.db2.gz FGIUOUQDKZGHOZ-UHFFFAOYSA-N -1 0 387.388 3.963 20 5 GHBDRM CC(C)[C@@H](CCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001591830999 976096554 /nfs/dbraw/zinc/09/65/54/976096554.db2.gz FFZSJPVPIGZXKE-CYBMUJFWSA-N -1 0 381.429 3.644 20 5 GHBDRM C[C@H](CC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1 ZINC001592433586 978067861 /nfs/dbraw/zinc/06/78/61/978067861.db2.gz LTXPIAGCZYEMOM-SNVBAGLBSA-N -1 0 391.763 3.761 20 5 GHBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001595211261 979989576 /nfs/dbraw/zinc/98/95/76/979989576.db2.gz FVMBKDQHQOMESI-AWEZNQCLSA-N -1 0 397.387 3.991 20 5 GHBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001595212344 979999056 /nfs/dbraw/zinc/99/90/56/979999056.db2.gz NUZOESXBAHYHHX-NSHDSACASA-N -1 0 392.795 3.859 20 5 GHBDRM CC[C@@H](Cc1cn(C)c2ccccc12)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001595219414 980039797 /nfs/dbraw/zinc/03/97/97/980039797.db2.gz PWNHQOZLRBVKFE-AWEZNQCLSA-N -1 0 382.420 3.921 20 5 GHBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001595987708 983240243 /nfs/dbraw/zinc/24/02/43/983240243.db2.gz OJDNSGVZBICMJF-INIZCTEOSA-N -1 0 388.445 3.523 20 5 GHBDRM C/C(=C\C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC001588940238 984633395 /nfs/dbraw/zinc/63/33/95/984633395.db2.gz ZZRRAMLYKKVABN-FMAYLGMYSA-N -1 0 388.807 3.768 20 5 GHBDRM Cc1c(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2C)cccc1[N+](=O)[O-] ZINC001599982859 986188277 /nfs/dbraw/zinc/18/82/77/986188277.db2.gz HMAFNDNYQHNSRN-UHFFFAOYSA-N -1 0 393.193 3.925 20 5 GHBDRM CCOc1ccc(C[C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C(=O)[O-])cc1 ZINC001597095995 986700950 /nfs/dbraw/zinc/70/09/50/986700950.db2.gz ZEDUTVSGJZRHSL-HNNXBMFYSA-N -1 0 395.415 3.897 20 5 GHBDRM C[C@H](C(=O)[O-])[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC001589458239 986900712 /nfs/dbraw/zinc/90/07/12/986900712.db2.gz IIAJJLMQBCEVMS-BTDLBPIBSA-N -1 0 394.786 3.508 20 5 GHBDRM C[C@@H](C(=O)O[C@H](Cc1ccc(Cl)cc1)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589539347 987235296 /nfs/dbraw/zinc/23/52/96/987235296.db2.gz CUHKOJCPYUMVQZ-BDJLRTHQSA-N -1 0 377.780 3.591 20 5 GHBDRM CC[C@H](C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)C1CCC(C)CC1 ZINC001594728943 987237887 /nfs/dbraw/zinc/23/78/87/987237887.db2.gz KMEAAUBVQYJMHB-URKOWZIASA-N -1 0 376.453 3.863 20 5 GHBDRM CSc1ccc(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)cc1[N+](=O)[O-] ZINC001599810084 988318718 /nfs/dbraw/zinc/31/87/18/988318718.db2.gz DILGFUIGGMUDIO-SECBINFHSA-N -1 0 394.380 3.560 20 5 GHBDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC001599810287 988322552 /nfs/dbraw/zinc/32/25/52/988322552.db2.gz NWFSZTAQCWNCLL-SJKOYZFVSA-N -1 0 388.445 3.752 20 5 GHBDRM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)c1 ZINC001599822338 988535856 /nfs/dbraw/zinc/53/58/56/988535856.db2.gz HMZVMJLLEGLZRX-VIFPVBQESA-N -1 0 394.380 3.560 20 5 GHBDRM CSc1cccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1[N+](=O)[O-] ZINC001599822404 988537046 /nfs/dbraw/zinc/53/70/46/988537046.db2.gz QJGNJQNCMBHPAY-UHFFFAOYSA-N -1 0 396.808 3.686 20 5 GHBDRM CSc1cccc(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)c1[N+](=O)[O-] ZINC001599824169 988568022 /nfs/dbraw/zinc/56/80/22/988568022.db2.gz QMSCBBZSCOYRLN-UHFFFAOYSA-N -1 0 375.402 3.898 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)cc1[N+](=O)[O-] ZINC001590481634 990075526 /nfs/dbraw/zinc/07/55/26/990075526.db2.gz LROJIWUPHQXYOW-UHFFFAOYSA-N -1 0 391.449 3.963 20 5 GHBDRM CC(C)[C@H](C)N(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001590974334 991107650 /nfs/dbraw/zinc/10/76/50/991107650.db2.gz HLQDWVJNFITUCM-ZDUSSCGKSA-N -1 0 392.433 3.533 20 5 GHBDRM COc1ccccc1C[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001599707573 991315883 /nfs/dbraw/zinc/31/58/83/991315883.db2.gz OSBPKKWQNGSZPQ-LBPRGKRZSA-N -1 0 398.337 3.978 20 5 GHBDRM COc1ccccc1C[C@H]1CCC[C@H]1OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599710897 991368591 /nfs/dbraw/zinc/36/85/91/991368591.db2.gz WHQZUGXXDKQYLY-AUUYWEPGSA-N -1 0 399.399 3.870 20 5 GHBDRM CN(Cc1ccc(Br)cc1F)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598520096 992668757 /nfs/dbraw/zinc/66/87/57/992668757.db2.gz WXQOQOGZTBTBFA-UHFFFAOYSA-N -1 0 397.200 3.827 20 5 GHBDRM C[C@H](NC(=O)c1ccc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170864 994028799 /nfs/dbraw/zinc/02/87/99/994028799.db2.gz QDMXYJFHTIQRDU-DSJMHWKBSA-N -1 0 389.452 3.569 20 5 GHBDRM COc1ccc2c(c1)OCC[C@H]2Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001599629417 994194926 /nfs/dbraw/zinc/19/49/26/994194926.db2.gz CCAPGIGIMXUEDA-LLVKDONJSA-N -1 0 378.768 3.891 20 5 GHBDRM COc1cccc(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])c1[N+](=O)[O-] ZINC001599642816 994382964 /nfs/dbraw/zinc/38/29/64/994382964.db2.gz VELUYCYGXVVGJS-UHFFFAOYSA-N -1 0 378.406 3.913 20 5 GHBDRM COc1cccc(N2CCC(Nc3cc(C)c([N+](=O)[O-])cc3C(=O)[O-])CC2)c1 ZINC001599678297 994934780 /nfs/dbraw/zinc/93/47/80/994934780.db2.gz CCCSQFKNPYHBMZ-UHFFFAOYSA-N -1 0 385.420 3.691 20 5 GHBDRM C[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cc(C(=O)[O-])co1 ZINC001593542941 995616954 /nfs/dbraw/zinc/61/69/54/995616954.db2.gz YNPDMKWGUCBSOO-CYBMUJFWSA-N -1 0 391.379 3.750 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001593667044 996054849 /nfs/dbraw/zinc/05/48/49/996054849.db2.gz JAKIWFCVYNEUNI-QMMMGPOBSA-N -1 0 382.344 3.691 20 5 GHBDRM COC1(C)CCN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001599085417 997088502 /nfs/dbraw/zinc/08/85/02/997088502.db2.gz DMTAPVXRWIRDQL-UHFFFAOYSA-N -1 0 398.415 3.529 20 5 GHBDRM C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001594041155 997655091 /nfs/dbraw/zinc/65/50/91/997655091.db2.gz APVOCUHACTUUHW-HXUWFJFHSA-N -1 0 386.379 3.670 20 5 GHBDRM COc1cc(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)ccc1C(=O)[O-] ZINC001599432652 997786237 /nfs/dbraw/zinc/78/62/37/997786237.db2.gz GGLQMSZOBHRQAE-UHFFFAOYSA-N -1 0 378.768 3.526 20 5 GHBDRM Cc1ccc(N2C(=O)N[C@H](c3csc([N+](=O)[O-])c3)C(C(=O)[O-])=C2C)cc1F ZINC001594098480 998081723 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GHBDRM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCCC(F)(F)F)c1Cl ZINC000830751107 1024131940 /nfs/dbraw/zinc/13/19/40/1024131940.db2.gz SYZACMSQQMUNLA-UHFFFAOYSA-N -1 0 381.159 3.522 20 5 GHBDRM CSc1nc(Cl)c([N+](=O)[O-])c(Nc2c(C)c(=O)[n-]n2-c2ccccc2)n1 ZINC001163109662 1026049176 /nfs/dbraw/zinc/04/91/76/1026049176.db2.gz JXAZQZVAASWQTE-UHFFFAOYSA-N -1 0 392.828 3.703 20 5 GHBDRM O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1cc(Cl)cc(Cl)c1[O-] ZINC001163354367 1026157136 /nfs/dbraw/zinc/15/71/36/1026157136.db2.gz GHOQPXMSCFJHCJ-UHFFFAOYSA-N -1 0 377.130 3.815 20 5 GHBDRM COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2ccc(F)cc2)cc1 ZINC001142160179 1028269183 /nfs/dbraw/zinc/26/91/83/1028269183.db2.gz MTOSAKKGRGVLOI-HXUWFJFHSA-N -1 0 396.374 3.968 20 5 GHBDRM CCOc1ccc(-c2noc(-c3cc([O-])c(OC)cc3[N+](=O)[O-])n2)c(F)c1F ZINC001216343555 1029609485 /nfs/dbraw/zinc/60/94/85/1029609485.db2.gz JZGQBKIILKNDGW-UHFFFAOYSA-N -1 0 393.302 3.703 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3Br)no2)c([O-])c1 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NVQSCKJRHOOLJJ-ZDUSSCGKSA-N -1 0 393.186 3.961 20 5 GHBDRM CC[C@H](C)[C@@H](C)Oc1c2cc(S(=O)(=O)[O-])ccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231244576 1034482210 /nfs/dbraw/zinc/48/22/10/1034482210.db2.gz FMBXNUJYXVVXTQ-VHSXEESVSA-N -1 0 398.393 3.716 20 5 GHBDRM COc1cc(OC)cc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])n2)c1 ZINC001159955514 1034800977 /nfs/dbraw/zinc/80/09/77/1034800977.db2.gz KAEMRHOLPMHYCS-UHFFFAOYSA-N -1 0 395.371 3.632 20 5 GHBDRM COc1ccc(-c2noc(Cc3ccc([O-])c([N+](=O)[O-])c3)n2)c(C(F)(F)F)c1 ZINC001247986377 1038526765 /nfs/dbraw/zinc/52/67/65/1038526765.db2.gz BAOFQPBEURTAEC-UHFFFAOYSA-N -1 0 395.293 3.969 20 5 GHBDRM COc1c(-c2noc(Cc3ccc([O-])c([N+](=O)[O-])c3)n2)cccc1C(F)(F)F ZINC001247986500 1038527058 /nfs/dbraw/zinc/52/70/58/1038527058.db2.gz DSZJEQYRLOSRHQ-UHFFFAOYSA-N -1 0 395.293 3.969 20 5 GHBDRM COc1c(O)ccc2c(=O)c3c(O[C@H](C)C4CCOCC4)cc(O)cc3oc21 ZINC001234749307 1040275184 /nfs/dbraw/zinc/27/51/84/1040275184.db2.gz OIJJWLCMWTXLPD-LLVKDONJSA-N -1 0 386.400 3.560 20 5 GHBDRM CCOc1ccc(-c2nnc(C([O-])=Cc3ccccc3[N+](=O)[O-])o2)cc1OCC ZINC001255012209 1040729504 /nfs/dbraw/zinc/72/95/04/1040729504.db2.gz LDNOUZGJCRGDJG-UHFFFAOYSA-N -1 0 397.387 3.868 20 5 GHBDRM CCCOc1ccc(-c2nnc(-c3cc(=O)c4cc([N+](=O)[O-])ccc4[n-]3)o2)cc1 ZINC001256245710 1041672641 /nfs/dbraw/zinc/67/26/41/1041672641.db2.gz GHYGFUDCVWDECN-UHFFFAOYSA-N -1 0 392.371 3.942 20 5 GHBDRM O=C(NCCn1c2ccccc2c2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001295453033 1045021422 /nfs/dbraw/zinc/02/14/22/1045021422.db2.gz JHUYZZPZAGNDOW-UHFFFAOYSA-N -1 0 375.384 3.838 20 5 GHBDRM CCCN(CC)c1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC001295614427 1045072185 /nfs/dbraw/zinc/07/21/85/1045072185.db2.gz KRCDQFJRZBNXJD-UHFFFAOYSA-N -1 0 378.816 3.837 20 5 GHBDRM Cc1ccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1Br ZINC001303328674 1047361235 /nfs/dbraw/zinc/36/12/35/1047361235.db2.gz PYVCWOLWAROZNC-UHFFFAOYSA-N -1 0 399.628 3.955 20 5 GHBDRM O=C(c1ccccc1Cl)C1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC001304915984 1047805882 /nfs/dbraw/zinc/80/58/82/1047805882.db2.gz LADKOYDHNGVEEH-UHFFFAOYSA-N -1 0 388.807 3.689 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nc3c(s2)C[C@H](C)CC3)c1C ZINC001318242072 1054520046 /nfs/dbraw/zinc/52/00/46/1054520046.db2.gz WRDJRYCBDVDGFY-SECBINFHSA-N -1 0 381.479 3.594 20 5 GHBDRM C[C@@H](OC(=O)c1ccc([O-])c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000848950412 1057451410 /nfs/dbraw/zinc/45/14/10/1057451410.db2.gz RIVBDRNKRSATQB-MRVPVSSYSA-N -1 0 399.186 3.791 20 5 GHBDRM CC(=O)c1cc(F)c([N-]C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c(F)c1F ZINC001356589008 1057561009 /nfs/dbraw/zinc/56/10/09/1057561009.db2.gz LKJTYQYOWMPWOY-UHFFFAOYSA-N -1 0 399.300 3.672 20 5 GHBDRM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001442472711 1058965738 /nfs/dbraw/zinc/96/57/38/1058965738.db2.gz MMPHCWHIHAVZGP-CYBMUJFWSA-N -1 0 397.431 3.733 20 5 GHBDRM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001445411782 1059524067 /nfs/dbraw/zinc/52/40/67/1059524067.db2.gz ZGHROLQEBJIHCH-AFNXNYLOSA-N -1 0 396.852 3.524 20 5 GHBDRM CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001446824353 1059872890 /nfs/dbraw/zinc/87/28/90/1059872890.db2.gz MQOFRHVKXJNJDZ-FVMDXXJSSA-N -1 0 382.775 3.599 20 5 GHBDRM COCCC[C@@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001448927582 1060298317 /nfs/dbraw/zinc/29/83/17/1060298317.db2.gz YTLUXKLVUGCMMT-HNNXBMFYSA-N -1 0 392.839 3.722 20 5 GHBDRM O=C(NCCc1cccc(Br)c1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001451050008 1060731809 /nfs/dbraw/zinc/73/18/09/1060731809.db2.gz SHLRLCGHKUUFSR-UHFFFAOYSA-N -1 0 399.628 3.689 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CSc1ncnc2c1cnn2Cc1ccccc1 ZINC001458981267 1063974377 /nfs/dbraw/zinc/97/43/77/1063974377.db2.gz XYLWAGVLZIKFQW-UHFFFAOYSA-N -1 0 393.428 3.781 20 5 GHBDRM CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001465998574 1065950201 /nfs/dbraw/zinc/95/02/01/1065950201.db2.gz ZSXQVUYQOCESEA-UHFFFAOYSA-N -1 0 380.404 3.540 20 5 GHBDRM O=C(NOCc1ccc(C(F)(F)F)cc1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001466294483 1066078140 /nfs/dbraw/zinc/07/81/40/1066078140.db2.gz QHWXDPPSWHUXSL-UHFFFAOYSA-N -1 0 390.701 3.834 20 5 GHBDRM O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001468442478 1067732181 /nfs/dbraw/zinc/73/21/81/1067732181.db2.gz WWWCSLCJVXQUKO-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM O=C(N[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001469376071 1068131828 /nfs/dbraw/zinc/13/18/28/1068131828.db2.gz DXKUHJCCGIAHLW-NSHDSACASA-N -1 0 385.807 3.722 20 5 GHBDRM CC(C)c1cc([C@@H]2CCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)[nH]n1 ZINC001471713099 1073192906 /nfs/dbraw/zinc/19/29/06/1073192906.db2.gz WIAAQFDLTMQQFH-LLVKDONJSA-N -1 0 392.843 3.820 20 5 GHBDRM C[S@](=O)(=NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(Cl)cc1 ZINC001472335366 1073430662 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WPEPUBHVIRRGQC-SNVBAGLBSA-N -1 0 378.768 3.661 20 5 GHBDRM Cc1ncsc1CNc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000738895185 600162415 /nfs/dbraw/zinc/16/24/15/600162415.db2.gz BSZNQMRCGNAICU-UHFFFAOYSA-N -1 0 397.412 3.901 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000736297078 600188803 /nfs/dbraw/zinc/18/88/03/600188803.db2.gz MIOUZFRFPZRTDF-UHFFFAOYSA-N -1 0 387.348 3.751 20 5 GHBDRM O=C([O-])c1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c(OC(F)F)c1 ZINC000739214476 600213415 /nfs/dbraw/zinc/21/34/15/600213415.db2.gz FCCOLMGQPMIHNK-BAQGIRSFSA-N -1 0 378.287 3.546 20 5 GHBDRM O=C([O-])c1cccc(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 ZINC000740224811 600274455 /nfs/dbraw/zinc/27/44/55/600274455.db2.gz BJPTVARQONCPBQ-UHFFFAOYSA-N -1 0 388.401 3.524 20 5 GHBDRM O=C([O-])CCCc1nc(COc2ccc([N+](=O)[O-])cc2-c2cccs2)no1 ZINC000739702284 600282666 /nfs/dbraw/zinc/28/26/66/600282666.db2.gz MMAKYQGNYOYSNT-UHFFFAOYSA-N -1 0 389.389 3.693 20 5 GHBDRM C[C@H]1COCCN1c1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000736820319 600365427 /nfs/dbraw/zinc/36/54/27/600365427.db2.gz CDIBYFAZRFTGDQ-WMKWSGJFSA-N -1 0 383.404 3.661 20 5 GHBDRM CCN(C[C@@H]1CCCO1)c1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000737093168 600432093 /nfs/dbraw/zinc/43/20/93/600432093.db2.gz CIXDDJFGSZOZPP-HNNXBMFYSA-N -1 0 398.415 3.529 20 5 GHBDRM Cc1noc(COc2ccc(Nc3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])cc2)n1 ZINC000738951387 600436094 /nfs/dbraw/zinc/43/60/94/600436094.db2.gz URWBUQKJILDSSS-YCRREMRBSA-N -1 0 396.359 3.707 20 5 GHBDRM COc1ccc(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000737932697 600451935 /nfs/dbraw/zinc/45/19/35/600451935.db2.gz XUUDPXLWIWLMQN-UHFFFAOYSA-N -1 0 378.406 3.913 20 5 GHBDRM Cc1ccccc1[C@H](CC(C)C)Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000738759429 600499331 /nfs/dbraw/zinc/49/93/31/600499331.db2.gz XWBCTBMUEVXVLB-SFHVURJKSA-N -1 0 399.447 3.917 20 5 GHBDRM O=C([O-])CCCOc1ccc(CNc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000739683538 600504177 /nfs/dbraw/zinc/50/41/77/600504177.db2.gz WAQCNGAKZOUWIE-UHFFFAOYSA-N -1 0 381.388 3.999 20 5 GHBDRM O=C([O-])Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000740041790 600524996 /nfs/dbraw/zinc/52/49/96/600524996.db2.gz ULRQVVUGYKRANE-UHFFFAOYSA-N -1 0 380.154 3.700 20 5 GHBDRM O=C([O-])Nc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1F ZINC000740011380 600526768 /nfs/dbraw/zinc/52/67/68/600526768.db2.gz BXMOJAJOUYHIEZ-UHFFFAOYSA-N -1 0 398.144 3.839 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2cccnc2SC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000740088637 600541746 /nfs/dbraw/zinc/54/17/46/600541746.db2.gz MJIRPLYUQUAUDD-UHFFFAOYSA-N -1 0 387.295 3.552 20 5 GHBDRM C[C@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000736550208 600590933 /nfs/dbraw/zinc/59/09/33/600590933.db2.gz CXHGXJNPNCAZDJ-ZJUUUORDSA-N -1 0 395.462 3.642 20 5 GHBDRM O=C([O-])[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])Cc1ccc2ccccc2c1 ZINC000739409138 600604005 /nfs/dbraw/zinc/60/40/05/600604005.db2.gz 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CC(C)(C(=O)[O-])c1ccc(Nc2ncc([N+](=O)[O-])cc2Br)cc1 ZINC000826127198 601225336 /nfs/dbraw/zinc/22/53/36/601225336.db2.gz PTEYMGJDWBYFAG-UHFFFAOYSA-N -1 0 380.198 3.858 20 5 GHBDRM O=C([O-])c1cc(-c2csc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])n2)c[nH]1 ZINC000833295077 601403085 /nfs/dbraw/zinc/40/30/85/601403085.db2.gz YLLSRXOGLNNWQZ-UHFFFAOYSA-N -1 0 392.780 3.650 20 5 GHBDRM Cc1cc(NCC2(c3ccc(F)cc3)CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567981602 601545382 /nfs/dbraw/zinc/54/53/82/601545382.db2.gz QTXSXPDPLXAYFX-UHFFFAOYSA-N -1 0 388.395 3.901 20 5 GHBDRM O=C([O-])c1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1F ZINC000833315779 601727434 /nfs/dbraw/zinc/72/74/34/601727434.db2.gz DWFMAWAQQQDCDU-UHFFFAOYSA-N -1 0 398.140 3.552 20 5 GHBDRM O=C([O-])c1c(C2CC2)csc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833161064 601809457 /nfs/dbraw/zinc/80/94/57/601809457.db2.gz AOKKVFVJXSJJMG-UHFFFAOYSA-N -1 0 398.400 3.670 20 5 GHBDRM O=C([O-])[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])Cc1ccc2ccccc2c1 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C[C@@H](NC(=O)c1ccc(N[C@@H]2CC(C)(C)c3ccccc32)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827704289 604637852 /nfs/dbraw/zinc/63/78/52/604637852.db2.gz WZUNBTHCBQRKOY-SJKOYZFVSA-N -1 0 397.431 3.632 20 5 GHBDRM CCn1c(SCc2ccsc2C(=O)[O-])nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000830416032 604753019 /nfs/dbraw/zinc/75/30/19/604753019.db2.gz GPKGEIMIQCLXHL-UHFFFAOYSA-N -1 0 390.446 3.925 20 5 GHBDRM Cc1ccc(N2C(=O)N[C@@H](c3ccc([N+](=O)[O-])s3)C(C(=O)[O-])=C2C)c(C)c1 ZINC000833576979 605159496 /nfs/dbraw/zinc/15/94/96/605159496.db2.gz NGIKDIJIKXPHGK-INIZCTEOSA-N -1 0 387.417 3.903 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC000833545782 605200897 /nfs/dbraw/zinc/20/08/97/605200897.db2.gz NDUWFFNVJJBSMZ-KBPBESRZSA-N -1 0 388.445 3.577 20 5 GHBDRM O=C([O-])C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(C(F)(F)F)cc1 ZINC000833773234 605310380 /nfs/dbraw/zinc/31/03/80/605310380.db2.gz SATPKRVZESTLGD-SNVBAGLBSA-N -1 0 388.323 3.621 20 5 GHBDRM 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C[C@@H]1c2cccc(Br)c2CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436960530 852532700 /nfs/dbraw/zinc/53/27/00/852532700.db2.gz QYVYPQXVLJMEEO-SNVBAGLBSA-N -1 0 391.221 3.822 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000509554106 852907544 /nfs/dbraw/zinc/90/75/44/852907544.db2.gz IQTAPIDIQPLFRA-UHFFFAOYSA-N -1 0 390.339 3.645 20 5 GHBDRM O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000490548901 853084996 /nfs/dbraw/zinc/08/49/96/853084996.db2.gz UIIRMWIMZRYNGD-UHFFFAOYSA-N -1 0 391.355 3.878 20 5 GHBDRM Cc1ccc(C[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000506472785 853237083 /nfs/dbraw/zinc/23/70/83/853237083.db2.gz UYTPIYYCFHEVDL-FQEVSTJZSA-N -1 0 377.400 3.718 20 5 GHBDRM Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cs1 ZINC000437673211 853404000 /nfs/dbraw/zinc/40/40/00/853404000.db2.gz XDLOPPQXBLFUDB-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM O=C(NCCOc1ccccc1-c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506109906 853443351 /nfs/dbraw/zinc/44/33/51/853443351.db2.gz WXABFTWNXUKPBY-UHFFFAOYSA-N -1 0 378.384 3.776 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2ccc(CN=c3[n-]nc(CC(F)(F)F)s3)o2)c1 ZINC000475045924 862630873 /nfs/dbraw/zinc/63/08/73/862630873.db2.gz JHBGVCZDEDPYTH-UHFFFAOYSA-N -1 0 384.339 3.845 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)cc1C ZINC000589558104 855025631 /nfs/dbraw/zinc/02/56/31/855025631.db2.gz YDUJUCRSFIWOAY-UHFFFAOYSA-N -1 0 389.355 3.735 20 5 GHBDRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000590400058 855390815 /nfs/dbraw/zinc/39/08/15/855390815.db2.gz QXJUPFVYEWEWNB-UHFFFAOYSA-N -1 0 379.376 3.517 20 5 GHBDRM COc1ccc2[nH]cc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4[O-])CC3)c2c1 ZINC000184693406 855564970 /nfs/dbraw/zinc/56/49/70/855564970.db2.gz DGSKGFPVTLZNNE-UHFFFAOYSA-N -1 0 395.415 3.810 20 5 GHBDRM Cc1c(CC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000590844960 855609617 /nfs/dbraw/zinc/60/96/17/855609617.db2.gz LLOIQGWTFGRAMZ-UHFFFAOYSA-N -1 0 382.416 3.550 20 5 GHBDRM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172182216 856363527 /nfs/dbraw/zinc/36/35/27/856363527.db2.gz ZXHJJZSDBDWBFF-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1noc2ccc(Cl)cc21 ZINC000427656797 856482581 /nfs/dbraw/zinc/48/25/81/856482581.db2.gz MFXMUFDCDRWMIX-UHFFFAOYSA-N -1 0 381.797 3.807 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)c1C ZINC000427655430 856504663 /nfs/dbraw/zinc/50/46/63/856504663.db2.gz GXVKQNMXFQCVOD-UHFFFAOYSA-N -1 0 381.797 3.807 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)c1C ZINC000508057665 856861230 /nfs/dbraw/zinc/86/12/30/856861230.db2.gz NVVBMGWVKPPGNP-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cccs3)ns2)c1 ZINC000554961362 857198821 /nfs/dbraw/zinc/19/88/21/857198821.db2.gz HEEXZZLAQQNJFB-UHFFFAOYSA-N -1 0 376.419 3.826 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)c(C)c2ncccc12 ZINC000174023191 857199071 /nfs/dbraw/zinc/19/90/71/857199071.db2.gz VIACNYZHPLIIOG-UHFFFAOYSA-N -1 0 387.417 3.569 20 5 GHBDRM Cc1onc(OC(F)F)c1[N-]C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001127992568 857680384 /nfs/dbraw/zinc/68/03/84/857680384.db2.gz SGTSEHZKXYISCQ-UHFFFAOYSA-N -1 0 381.213 3.764 20 5 GHBDRM Cc1ccc(C(=O)NCc2c(C(=O)[O-])sc3ccsc32)cc1[N+](=O)[O-] ZINC000486408341 857709791 /nfs/dbraw/zinc/70/97/91/857709791.db2.gz VYLWSYHXLKUOKH-UHFFFAOYSA-N -1 0 376.415 3.808 20 5 GHBDRM COc1cc(Cc2nc(=O)c3snc(-c4ccccc4)c3[n-]2)ccc1[N+](=O)[O-] ZINC000543018233 857872951 /nfs/dbraw/zinc/87/29/51/857872951.db2.gz MGTNIJNIISTNJN-UHFFFAOYSA-N -1 0 394.412 3.554 20 5 GHBDRM CCO[C@@H](C)c1nc(CN(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cs1 ZINC000592766726 858222531 /nfs/dbraw/zinc/22/25/31/858222531.db2.gz FVOKCTBEFYXWID-VIFPVBQESA-N -1 0 399.856 3.780 20 5 GHBDRM CCCCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CCc2ncsc2C1 ZINC000592903730 858377745 /nfs/dbraw/zinc/37/77/45/858377745.db2.gz XKCNYZJRQJEYEL-LBPRGKRZSA-N -1 0 375.450 3.557 20 5 GHBDRM CC(C)c1ccc(C(=O)N=c2nc(Cc3ccccc3)[n-]s2)cc1[N+](=O)[O-] ZINC000439124772 858455654 /nfs/dbraw/zinc/45/56/54/858455654.db2.gz RDLOZJRASDAHBP-UHFFFAOYSA-N -1 0 382.445 3.835 20 5 GHBDRM O=C([O-])C1(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCC1 ZINC000595277308 858458507 /nfs/dbraw/zinc/45/85/07/858458507.db2.gz CLEAYXMGNSAHKU-UHFFFAOYSA-N -1 0 386.429 3.731 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000160213675 858711865 /nfs/dbraw/zinc/71/18/65/858711865.db2.gz ORLBTBIVCXIMMF-OAHLLOKOSA-N -1 0 394.387 3.718 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)cc1F ZINC000184968266 858768961 /nfs/dbraw/zinc/76/89/61/858768961.db2.gz RUSPSTFDZFVSAS-UHFFFAOYSA-N -1 0 379.344 3.530 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Br)c(F)c1 ZINC000315791916 858949288 /nfs/dbraw/zinc/94/92/88/858949288.db2.gz UOHIVXGGCXZILB-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM CCOCCOc1ccccc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000543680052 859400213 /nfs/dbraw/zinc/40/02/13/859400213.db2.gz PDNDTOMNBCFOES-UHFFFAOYSA-N -1 0 380.784 3.621 20 5 GHBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC000611226520 859651329 /nfs/dbraw/zinc/65/13/29/859651329.db2.gz MKIXFOMUAWYIJK-UHFFFAOYSA-N -1 0 394.449 3.725 20 5 GHBDRM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000611292120 859684599 /nfs/dbraw/zinc/68/45/99/859684599.db2.gz UFPXRPYIHZYVKI-SECBINFHSA-N -1 0 390.248 3.645 20 5 GHBDRM O=C([O-])[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)Cc2ccccc21 ZINC000611478001 859776444 /nfs/dbraw/zinc/77/64/44/859776444.db2.gz ZSIXXXYVSDOCPY-HNNXBMFYSA-N -1 0 382.397 3.634 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000013177863 859837935 /nfs/dbraw/zinc/83/79/35/859837935.db2.gz JZZQBHALMVRGLZ-BZNIZROVSA-N -1 0 392.408 3.547 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C2CCCCC2)[nH]n1 ZINC000474418258 860018870 /nfs/dbraw/zinc/01/88/70/860018870.db2.gz XWNXHPCAIBYAFI-UHFFFAOYSA-N -1 0 384.845 3.820 20 5 GHBDRM O=C(N[C@H]1CSc2ccc(Br)cc21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000552214622 860021077 /nfs/dbraw/zinc/02/10/77/860021077.db2.gz ZHXDKTHJZSIIDZ-LBPRGKRZSA-N -1 0 395.234 3.640 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc2ccc(O)cc21 ZINC000484539826 860096918 /nfs/dbraw/zinc/09/69/18/860096918.db2.gz FCFCDTLXIIDAJK-UHFFFAOYSA-N -1 0 378.793 3.908 20 5 GHBDRM Cc1ccc(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000598585282 860432393 /nfs/dbraw/zinc/43/23/93/860432393.db2.gz YQCUXHOKUISCQY-GFCCVEGCSA-N -1 0 392.433 3.591 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N(Cc1csc(Br)c1)C1CC1 ZINC000185505657 860645456 /nfs/dbraw/zinc/64/54/56/860645456.db2.gz CDWNOSRONHBIFQ-UHFFFAOYSA-N -1 0 397.250 3.929 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000792702676 881628519 /nfs/dbraw/zinc/62/85/19/881628519.db2.gz WZYQUTXYJDFIMZ-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM CC(C)CCn1ncc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1C(C)C ZINC000792706573 881633936 /nfs/dbraw/zinc/63/39/36/881633936.db2.gz SGTAXZJKZXSZCB-UHFFFAOYSA-N -1 0 398.460 3.901 20 5 GHBDRM CCc1c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000186010951 863708684 /nfs/dbraw/zinc/70/86/84/863708684.db2.gz OMFVEKHZEVONIK-UHFFFAOYSA-N -1 0 386.795 3.954 20 5 GHBDRM COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000480197135 864224127 /nfs/dbraw/zinc/22/41/27/864224127.db2.gz GHKIBAXCMZQTMA-UHFFFAOYSA-N -1 0 395.195 3.850 20 5 GHBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000499275549 881857411 /nfs/dbraw/zinc/85/74/11/881857411.db2.gz UYLLSAPQTPQFCS-UHFFFAOYSA-N -1 0 392.433 3.638 20 5 GHBDRM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c1 ZINC000174288630 865676711 /nfs/dbraw/zinc/67/67/11/865676711.db2.gz UNQYTJZKMGOKEG-UHFFFAOYSA-N -1 0 396.222 3.639 20 5 GHBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC(C)(C)C)cc1 ZINC000499287316 881911769 /nfs/dbraw/zinc/91/17/69/881911769.db2.gz RZFQHWMUTOGVJV-UHFFFAOYSA-N -1 0 380.422 3.587 20 5 GHBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1nc(-c2ccccc2)cs1 ZINC000183378826 866656162 /nfs/dbraw/zinc/65/61/62/866656162.db2.gz CFWVGQCPTYKBQF-UHFFFAOYSA-N -1 0 375.431 3.660 20 5 GHBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1nc(-c2cccc(F)c2)cs1 ZINC000183379577 866656545 /nfs/dbraw/zinc/65/65/45/866656545.db2.gz RQMNMEIWWNHYRM-UHFFFAOYSA-N -1 0 393.421 3.799 20 5 GHBDRM O=C(Nc1ccc(OC(F)F)c2ncccc12)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000475606082 866847510 /nfs/dbraw/zinc/84/75/10/866847510.db2.gz SCKPZYGIDGVULX-UHFFFAOYSA-N -1 0 375.287 3.702 20 5 GHBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cc2ccccc2s1 ZINC000920333762 882054455 /nfs/dbraw/zinc/05/44/55/882054455.db2.gz IHNAFEANEQIEHK-UHFFFAOYSA-N -1 0 396.833 3.582 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000456827817 867216188 /nfs/dbraw/zinc/21/61/88/867216188.db2.gz QNDILZNBFSYTTD-UHFFFAOYSA-N -1 0 376.359 3.674 20 5 GHBDRM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000152043381 867265993 /nfs/dbraw/zinc/26/59/93/867265993.db2.gz HSQVVGBWNJATSS-AREMUKBSSA-N -1 0 376.434 3.600 20 5 GHBDRM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000523727154 867833836 /nfs/dbraw/zinc/83/38/36/867833836.db2.gz FCICJCPFQXNTSY-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000744001971 868523709 /nfs/dbraw/zinc/52/37/09/868523709.db2.gz SAKXWVSMQLRKRY-UHFFFAOYSA-N -1 0 398.440 3.531 20 5 GHBDRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000744002004 868523883 /nfs/dbraw/zinc/52/38/83/868523883.db2.gz STRSWLVIFUCBJC-NSHDSACASA-N -1 0 376.862 3.660 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)cc(C)c1F ZINC000462367738 869295910 /nfs/dbraw/zinc/29/59/10/869295910.db2.gz KHNHETQIMRPILR-UHFFFAOYSA-N -1 0 375.381 3.700 20 5 GHBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000462617417 869764638 /nfs/dbraw/zinc/76/46/38/869764638.db2.gz CKNCAHVUUWDUEO-INIZCTEOSA-N -1 0 376.416 3.681 20 5 GHBDRM O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000746054393 869982478 /nfs/dbraw/zinc/98/24/78/869982478.db2.gz RJVIHQBQDRVIQK-UHFFFAOYSA-N -1 0 394.352 3.713 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n[nH]c1-c1ccccc1 ZINC000540210892 870775334 /nfs/dbraw/zinc/77/53/34/870775334.db2.gz HOEQZKHHSRUIBH-UHFFFAOYSA-N -1 0 386.433 3.711 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1F ZINC000446989048 870819682 /nfs/dbraw/zinc/81/96/82/870819682.db2.gz BEOUJFYNFHVMDL-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(F)c(OC(F)F)cc1F ZINC000447274725 871260638 /nfs/dbraw/zinc/26/06/38/871260638.db2.gz 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O=C(Nc1nc2c(cccc2Br)s1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000557775051 931679398 /nfs/dbraw/zinc/67/93/98/931679398.db2.gz NYLSCHGKKMOMTF-UHFFFAOYSA-N -1 0 394.206 3.925 20 5 GHBDRM Cn1nc(-c2ccsc2)cc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000783860023 931695230 /nfs/dbraw/zinc/69/52/30/931695230.db2.gz XBGNVDNAPWBHPG-UHFFFAOYSA-N -1 0 398.853 3.511 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1Cl ZINC000798247422 932575818 /nfs/dbraw/zinc/57/58/18/932575818.db2.gz VZLBYRXOWHASOO-UHFFFAOYSA-N -1 0 395.195 3.850 20 5 GHBDRM Cc1cccc2c1CCN2C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798285135 932594502 /nfs/dbraw/zinc/59/45/02/932594502.db2.gz PGBXXZOZXYQYMV-UHFFFAOYSA-N -1 0 398.806 3.651 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000798300738 932598840 /nfs/dbraw/zinc/59/88/40/932598840.db2.gz JBRHJDBDMMTMOU-UHFFFAOYSA-N -1 0 380.316 3.523 20 5 GHBDRM O=[N+]([O-])c1cc(Br)cc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000560011470 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C[C@H](CN(Cc1ccccc1)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001592598290 978530435 /nfs/dbraw/zinc/53/04/35/978530435.db2.gz BHIRYHHRSVQNGO-KGLIPLIRSA-N -1 0 388.395 3.587 20 5 GHBDRM Cn1ccnc1[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000754775092 978696478 /nfs/dbraw/zinc/69/64/78/978696478.db2.gz GZFOMWAHZRPXOZ-KFILLSGMSA-N -1 0 396.378 3.767 20 5 GHBDRM C[C@@H](CNC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC001592683371 979112077 /nfs/dbraw/zinc/11/20/77/979112077.db2.gz YLIYASDIWFIENB-NSHDSACASA-N -1 0 382.376 3.700 20 5 GHBDRM COc1ccc(C(=O)[O-])c2c1C[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)CC2 ZINC000901550986 980374998 /nfs/dbraw/zinc/37/49/98/980374998.db2.gz DLOUFBMWXMQKPT-UVTDQMKNSA-N -1 0 382.416 3.763 20 5 GHBDRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595354871 980696658 /nfs/dbraw/zinc/69/66/58/980696658.db2.gz HBZCRKFVNZRRJB-ZLENFMNRSA-N -1 0 378.425 3.914 20 5 GHBDRM CCCCNC(=O)c1ccc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001595759372 982465357 /nfs/dbraw/zinc/46/53/57/982465357.db2.gz WZJZDOORXODRSI-XFFZJAGNSA-N -1 0 397.431 3.835 20 5 GHBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001595791879 982591162 /nfs/dbraw/zinc/59/11/62/982591162.db2.gz JDRJLWNMXVHFHY-JKSUJKDBSA-N -1 0 392.477 3.670 20 5 GHBDRM CCN(C(=O)OC(C)(C)C)C1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001596155936 983514358 /nfs/dbraw/zinc/51/43/58/983514358.db2.gz MFPTXEQZONVIBH-UHFFFAOYSA-N -1 0 393.440 3.519 20 5 GHBDRM CCN1C(=O)N[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])s2)C(C(=O)[O-])=C1C ZINC001596392047 983925505 /nfs/dbraw/zinc/92/55/05/983925505.db2.gz CJJFPZPRWKSWPG-INIZCTEOSA-N -1 0 387.417 3.768 20 5 GHBDRM CCNc1ccc(C(=O)Nc2c(Cl)ccc(F)c2C(=O)[O-])cc1[N+](=O)[O-] ZINC001596501251 984253903 /nfs/dbraw/zinc/25/39/03/984253903.db2.gz KYRCPQHIZHOWLR-UHFFFAOYSA-N -1 0 381.747 3.770 20 5 GHBDRM C[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(C(=O)[O-])cc1 ZINC001599904259 984902456 /nfs/dbraw/zinc/90/24/56/984902456.db2.gz RYOAVTLBEICNPW-ZDUSSCGKSA-N -1 0 384.388 3.811 20 5 GHBDRM C/C(=C\c1cccc(Cl)c1)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589001181 984943523 /nfs/dbraw/zinc/94/35/23/984943523.db2.gz HQKDPNIGRAOSGX-DLENHJPASA-N -1 0 388.807 3.768 20 5 GHBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001589002981 984949644 /nfs/dbraw/zinc/94/96/44/984949644.db2.gz SUMRCBWHXXZVBD-YPNIWSFNSA-N -1 0 386.379 3.644 20 5 GHBDRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1F ZINC001589373145 986420705 /nfs/dbraw/zinc/42/07/05/986420705.db2.gz BEDZGAYSGDGHQR-BLVKFPJESA-N -1 0 396.374 3.933 20 5 GHBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001597142868 986894270 /nfs/dbraw/zinc/89/42/70/986894270.db2.gz NTXUMDMXQANHOC-UHFFFAOYSA-N -1 0 387.392 4.000 20 5 GHBDRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC001589533109 987222878 /nfs/dbraw/zinc/22/28/78/987222878.db2.gz WWGFWWPCFBBZOG-VIFPVBQESA-N -1 0 393.193 3.798 20 5 GHBDRM CC(C)(C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)c1ccc([N+](=O)[O-])cc1F ZINC001589582603 987363331 /nfs/dbraw/zinc/36/33/31/987363331.db2.gz FSBUMHDPYVLPOG-UHFFFAOYSA-N -1 0 393.396 3.682 20 5 GHBDRM CCc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC001597542737 988232826 /nfs/dbraw/zinc/23/28/26/988232826.db2.gz JHILMBSKNXSLFC-SNVBAGLBSA-N -1 0 392.795 3.915 20 5 GHBDRM CCc1cccc2c(CC(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3C)c[nH]c21 ZINC001597603260 988463772 /nfs/dbraw/zinc/46/37/72/988463772.db2.gz PZLSAMLDENVXCB-UHFFFAOYSA-N -1 0 381.388 3.826 20 5 GHBDRM CC(C)(C)OC(=O)N1CCC(CCOc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC001589973018 988814786 /nfs/dbraw/zinc/81/47/86/988814786.db2.gz AAVWXKMKRFVFRE-UHFFFAOYSA-N -1 0 394.424 3.709 20 5 GHBDRM CCn1c(CCNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])nc2ccccc21 ZINC001597850481 989589104 /nfs/dbraw/zinc/58/91/04/989589104.db2.gz QMSRMPCAWPZFOL-NTMALXAHSA-N -1 0 380.404 3.717 20 5 GHBDRM CC(C)(C)c1ccc2c(c1)CCN2Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001590501343 990117467 /nfs/dbraw/zinc/11/74/67/990117467.db2.gz WCWXGNUEBRIINX-UHFFFAOYSA-N -1 0 384.432 3.918 20 5 GHBDRM CC(C)(C)c1coc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])n1 ZINC001590527123 990140514 /nfs/dbraw/zinc/14/05/14/990140514.db2.gz SZPWOLBWPZZVRP-UHFFFAOYSA-N -1 0 393.421 3.699 20 5 GHBDRM CC(C)(C)c1nc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])sc1C(=O)[O-] ZINC001590545483 990181543 /nfs/dbraw/zinc/18/15/43/990181543.db2.gz XHWVQMMQWFAQGC-UHFFFAOYSA-N -1 0 383.813 3.953 20 5 GHBDRM CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1(Cc2ccccc2)CCCC1 ZINC001598079005 990390256 /nfs/dbraw/zinc/39/02/56/990390256.db2.gz GOUYFVARZNOYRE-UHFFFAOYSA-N -1 0 382.416 3.921 20 5 GHBDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] 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CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000468951100 1016263489 /nfs/dbraw/zinc/26/34/89/1016263489.db2.gz LVHWGIRECZPBGF-LBPRGKRZSA-N -1 0 380.422 3.582 20 5 GHBDRM C[C@@H]1CC[C@](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)(C(=O)[O-])c2ccccc21 ZINC001594317900 999225354 /nfs/dbraw/zinc/22/53/54/999225354.db2.gz DUMCIMNMFKPDDH-IYBGGQRXSA-N -1 0 394.427 3.692 20 5 GHBDRM CC(C)(C)[NH+]1CCC(Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])CC1 ZINC001227309193 1032367265 /nfs/dbraw/zinc/36/72/65/1032367265.db2.gz JEDILRNQXIMHFD-UHFFFAOYSA-N -1 0 383.444 3.999 20 5 GHBDRM CC[C@H](C)N(Cc1cc([O-])ccc1[N+](=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000559144864 1017374089 /nfs/dbraw/zinc/37/40/89/1017374089.db2.gz XWHPUTJHWKNLIB-ZDUSSCGKSA-N -1 0 382.420 3.750 20 5 GHBDRM O=C(C=C([O-])c1ccccc1O[C@@H](C[N+](=O)[O-])c1cccnc1)c1ccccc1 ZINC001228511483 1032964466 /nfs/dbraw/zinc/96/44/66/1032964466.db2.gz FTCCXJFBAPYUMA-QFIPXVFZSA-N -1 0 390.395 3.934 20 5 GHBDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000836758059 1023343468 /nfs/dbraw/zinc/34/34/68/1023343468.db2.gz XTMVSCSBFJQSRT-SMDDNHRTSA-N -1 0 378.450 3.565 20 5 GHBDRM COC(=O)c1ccc([C@H](C)Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])cc1 ZINC001228861836 1033145389 /nfs/dbraw/zinc/14/53/89/1033145389.db2.gz HVKYVWVSPPRPRZ-QMMMGPOBSA-N -1 0 386.282 3.641 20 5 GHBDRM COc1cccc(OC[C@H](C)Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])c1 ZINC001228860313 1033142943 /nfs/dbraw/zinc/14/29/43/1033142943.db2.gz SUKROVQDXYEZHF-VIFPVBQESA-N -1 0 388.298 3.569 20 5 GHBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001141252132 1024293687 /nfs/dbraw/zinc/29/36/87/1024293687.db2.gz KSAPUSFANRMJPQ-SSDOTTSWSA-N -1 0 395.202 3.975 20 5 GHBDRM O=[N+]([O-])c1c([O-])cc(O)cc1OC(COc1ccccc1)COc1ccccc1 ZINC001228969830 1033208018 /nfs/dbraw/zinc/20/80/18/1033208018.db2.gz DBCKAOCGYAQBEW-UHFFFAOYSA-N -1 0 397.383 3.911 20 5 GHBDRM O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC001141935023 1027702511 /nfs/dbraw/zinc/70/25/11/1027702511.db2.gz ICRINQBEYDOJLW-UHFFFAOYSA-N -1 0 395.346 3.944 20 5 GHBDRM CC(C)[C@H]1CCc2ccccc2[C@H]1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001211458991 1027970437 /nfs/dbraw/zinc/97/04/37/1027970437.db2.gz JBYJLBYAIKMMNP-BEFAXECRSA-N -1 0 390.461 3.538 20 5 GHBDRM Cc1cc(F)c(-c2noc(-c3cnc([N+](=O)[O-])c([O-])c3)n2)cc1Br ZINC001213596186 1028285784 /nfs/dbraw/zinc/28/57/84/1028285784.db2.gz QHLIDTBUYWZBMU-UHFFFAOYSA-N -1 0 395.144 3.622 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(-c3cccc(Br)c3F)no2)c([O-])c1 ZINC001216557564 1029684978 /nfs/dbraw/zinc/68/49/78/1029684978.db2.gz IYCXNHDZKCQCEI-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)c(F)c3)no2)c([O-])c1 ZINC001216557922 1029685549 /nfs/dbraw/zinc/68/55/49/1029685549.db2.gz MCZSUCHGKZJXHN-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(-c3cc(F)ccc3Br)no2)c([O-])c1 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20 5 GHBDRM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001462326769 1070174123 /nfs/dbraw/zinc/17/41/23/1070174123.db2.gz RJRUVYPKJYCRIC-VIFPVBQESA-N -1 0 388.327 3.569 20 5 GHBDRM COc1c(O)cc(O[C@H](C)C(=O)OC(C)(C)C)c2c(=O)c3ccccc3n(C)c12 ZINC001234169826 1039904919 /nfs/dbraw/zinc/90/49/19/1039904919.db2.gz GRNMHKHEPGMGOA-GFCCVEGCSA-N -1 0 399.443 3.515 20 5 GHBDRM CCC[C@H](Oc1cc(O)c(OC)c2c1c(=O)c1ccccc1n2C)C(=O)OCC ZINC001234170487 1039905083 /nfs/dbraw/zinc/90/50/83/1039905083.db2.gz JDURXXRWCVBFMZ-INIZCTEOSA-N -1 0 399.443 3.517 20 5 GHBDRM CC(C)=CCc1c([O-])cc2oc3ccc(O)cc3c(=O)c2c1OC(=O)C[C@@H](C)O ZINC001234741129 1040267446 /nfs/dbraw/zinc/26/74/46/1040267446.db2.gz PELRDWGHSQCEOW-GFCCVEGCSA-N -1 0 398.411 3.542 20 5 GHBDRM C[C@@H]1c2cnccc2C[C@@H]1Oc1c(O)ccc2c(=O)c3c(O)cc(O)cc3oc21 ZINC001234748807 1040275656 /nfs/dbraw/zinc/27/56/56/1040275656.db2.gz LCRDKABBLGFRBI-QGHHPUGFSA-N -1 0 391.379 3.565 20 5 GHBDRM CC(C)Oc1ccc(-c2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])o2)cc1 ZINC001256927208 1043754309 /nfs/dbraw/zinc/75/43/09/1043754309.db2.gz SCKZPPRQLZJOGH-UHFFFAOYSA-N -1 0 386.320 3.713 20 5 GHBDRM O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001293010388 1043982923 /nfs/dbraw/zinc/98/29/23/1043982923.db2.gz OTKDAVYNJATFDR-UHFFFAOYSA-N -1 0 383.385 3.611 20 5 GHBDRM COc1ccc(-c2cc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])n[nH]2)cc1 ZINC001295614113 1045072378 /nfs/dbraw/zinc/07/23/78/1045072378.db2.gz GDNAAUKVIKETND-UHFFFAOYSA-N -1 0 388.767 3.605 20 5 GHBDRM CC1(C)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])Cc2ccccc2O1 ZINC001298780041 1045945591 /nfs/dbraw/zinc/94/55/91/1045945591.db2.gz QXQPXKZEJRFHQE-UHFFFAOYSA-N -1 0 376.796 3.767 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC2(CC2)c2ccc(Br)cc21 ZINC001301020683 1046294031 /nfs/dbraw/zinc/29/40/31/1046294031.db2.gz KWIKJKFGVGLXHQ-UHFFFAOYSA-N -1 0 389.205 3.755 20 5 GHBDRM CC(C)(C)OC(=O)NCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001305457941 1048065688 /nfs/dbraw/zinc/06/56/88/1048065688.db2.gz OXGQSJSAHJXGTM-UHFFFAOYSA-N -1 0 387.392 3.577 20 5 GHBDRM O=C([N-]c1cccc2nsnc21)c1sc(Br)cc1[N+](=O)[O-] ZINC001287469620 1048786892 /nfs/dbraw/zinc/78/68/92/1048786892.db2.gz MMTWBBHEOPGYPS-UHFFFAOYSA-N -1 0 385.224 3.676 20 5 GHBDRM O=C(NC1CCCCCCC1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001290075286 1049723243 /nfs/dbraw/zinc/72/32/43/1049723243.db2.gz QVJDHKWFKDJBDY-UHFFFAOYSA-N -1 0 392.843 3.982 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(Nc2ccccc2Cl)CC1 ZINC001320681849 1055926794 /nfs/dbraw/zinc/92/67/94/1055926794.db2.gz GFCMWADNYZEGSS-UHFFFAOYSA-N -1 0 375.812 3.671 20 5 GHBDRM C[C@H](OC(=O)c1ccc([O-])c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000848949640 1057450686 /nfs/dbraw/zinc/45/06/86/1057450686.db2.gz AEDIFEOCHYNSCW-QMMMGPOBSA-N -1 0 399.186 3.791 20 5 GHBDRM CCOC(=O)c1cccc2[nH]c(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)nc21 ZINC001439999691 1058383217 /nfs/dbraw/zinc/38/32/17/1058383217.db2.gz SZZHYGRSKDMBKR-UHFFFAOYSA-N -1 0 396.403 3.564 20 5 GHBDRM CC[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])Oc1cccc(C)c1 ZINC001441610433 1058823219 /nfs/dbraw/zinc/82/32/19/1058823219.db2.gz FLJGZJNJYONXRA-ZDUSSCGKSA-N -1 0 378.812 3.850 20 5 GHBDRM O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001443097197 1059063913 /nfs/dbraw/zinc/06/39/13/1059063913.db2.gz HRCIDUKXWHQJRU-UHFFFAOYSA-N -1 0 380.322 3.781 20 5 GHBDRM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001445411795 1059523783 /nfs/dbraw/zinc/52/37/83/1059523783.db2.gz ZGHROLQEBJIHCH-ZHZWEUQESA-N -1 0 396.852 3.524 20 5 GHBDRM CCOC(=O)c1cc2cc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])ccc2s1 ZINC001446352731 1059763265 /nfs/dbraw/zinc/76/32/65/1059763265.db2.gz RUSUZCFZKNGJRF-UHFFFAOYSA-N -1 0 386.385 3.944 20 5 GHBDRM CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2ccccc21 ZINC001452749720 1061001535 /nfs/dbraw/zinc/00/15/35/1061001535.db2.gz XCCQYEURHCZZRE-JKSUJKDBSA-N -1 0 398.415 3.601 20 5 GHBDRM O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1CC[C@H]1c1ccccc1 ZINC001464174768 1064887370 /nfs/dbraw/zinc/88/73/70/1064887370.db2.gz OYBQLXFULOFTEL-AWEZNQCLSA-N -1 0 398.806 3.727 20 5 GHBDRM Cc1ccc(Cl)cc1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001464730708 1065179830 /nfs/dbraw/zinc/17/98/30/1065179830.db2.gz LIUDEJJTLJKTIN-UHFFFAOYSA-N -1 0 393.223 3.828 20 5 GHBDRM COC(=O)Nc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(C)c1 ZINC001466409745 1066138043 /nfs/dbraw/zinc/13/80/43/1066138043.db2.gz IPNOUWKOKSOLTM-UHFFFAOYSA-N -1 0 379.756 3.693 20 5 GHBDRM Cc1ccc([C@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C(F)(F)F)o1 ZINC001475438908 1074874840 /nfs/dbraw/zinc/87/48/40/1074874840.db2.gz DQCWCAPPMIKJSW-ZDUSSCGKSA-N -1 0 396.318 3.526 20 5 GHBDRM O=C([O-])/C=C/c1ccc(NCCc2ccn(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000739624002 599707207 /nfs/dbraw/zinc/70/72/07/599707207.db2.gz IPGIFSOHECMPQO-VQHVLOKHSA-N -1 0 378.388 3.533 20 5 GHBDRM O=C([O-])/C=C\c1ccc(NC[C@@H](O)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000739626751 599763414 /nfs/dbraw/zinc/76/34/14/599763414.db2.gz VHCWJMGZEDJZRM-GMNBZTITSA-N -1 0 396.321 3.857 20 5 GHBDRM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000736600600 599779317 /nfs/dbraw/zinc/77/93/17/599779317.db2.gz SWFROVVFUUBCHJ-JTQLQIEISA-N -1 0 394.836 3.850 20 5 GHBDRM C[C@H]1CCCN(c2ccc(C(=O)Nc3ccsc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000736792716 599802590 /nfs/dbraw/zinc/80/25/90/599802590.db2.gz ZFISGNMXDSZPMX-NSHDSACASA-N -1 0 389.433 3.843 20 5 GHBDRM COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1SC ZINC000486210493 599893965 /nfs/dbraw/zinc/89/39/65/599893965.db2.gz OWAZGXPPXRMSRT-UHFFFAOYSA-N -1 0 376.390 3.584 20 5 GHBDRM CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@@H](c1ccccc1)C(F)(F)F ZINC000737333846 599919491 /nfs/dbraw/zinc/91/94/91/599919491.db2.gz PDTVPOXWFLIDSR-AWEZNQCLSA-N -1 0 382.294 3.669 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc(N[C@H]3CCCN(C(=O)[O-])C3)c([N+](=O)[O-])c2)cc1 ZINC000738627790 600126055 /nfs/dbraw/zinc/12/60/55/600126055.db2.gz MEWXTRSJCCBOLI-INIZCTEOSA-N -1 0 398.419 3.710 20 5 GHBDRM COc1cccc(C2(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CCCC2)c1 ZINC000738096133 600187810 /nfs/dbraw/zinc/18/78/10/600187810.db2.gz NEERXVNKDNMFON-UHFFFAOYSA-N -1 0 384.388 3.752 20 5 GHBDRM Cc1cc(O[C@H](C)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1Cl ZINC000738465199 600189176 /nfs/dbraw/zinc/18/91/76/600189176.db2.gz SPEFNAHWKBCRCN-SNVBAGLBSA-N -1 0 378.768 3.661 20 5 GHBDRM O=C([O-])c1cc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)cc([N+](=O)[O-])c1 ZINC000738673695 600218710 /nfs/dbraw/zinc/21/87/10/600218710.db2.gz VEPOWCUVJBLLRQ-UHFFFAOYSA-N -1 0 387.348 3.808 20 5 GHBDRM CC[C@@H]1CN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000736944350 600239490 /nfs/dbraw/zinc/23/94/90/600239490.db2.gz SCQGYJUHHHKIPL-UKRRQHHQSA-N -1 0 398.415 3.528 20 5 GHBDRM O=C([O-])c1cc(C(=O)NCCCO[C@@H]2CCCc3ccccc32)cc([N+](=O)[O-])c1 ZINC000485743448 600250147 /nfs/dbraw/zinc/25/01/47/600250147.db2.gz MCGDYJNBXHVZFY-LJQANCHMSA-N -1 0 398.415 3.507 20 5 GHBDRM C[C@@H](Sc1nc2ccc(C(=O)[O-])cc2o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000736719034 600277489 /nfs/dbraw/zinc/27/74/89/600277489.db2.gz XAOCERRYPHULEQ-SECBINFHSA-N -1 0 387.373 3.554 20 5 GHBDRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000736850875 600380073 /nfs/dbraw/zinc/38/00/73/600380073.db2.gz YDRUOCDJBMBCSB-DYVFJYSZSA-N -1 0 388.445 3.972 20 5 GHBDRM C[C@H](Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000736702739 600462434 /nfs/dbraw/zinc/46/24/34/600462434.db2.gz DYLQWMYWHIHEAN-VIFPVBQESA-N -1 0 398.293 3.718 20 5 GHBDRM CC(C)Oc1c(Cl)cccc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000485749957 600476399 /nfs/dbraw/zinc/47/63/99/600476399.db2.gz FJVZIIPWJOBWQV-UHFFFAOYSA-N -1 0 378.768 3.986 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000237665431 600604596 /nfs/dbraw/zinc/60/45/96/600604596.db2.gz ZZBHGHHKZDKVCK-GOSISDBHSA-N -1 0 392.411 3.730 20 5 GHBDRM CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1C(=O)[O-] ZINC000737051278 600647383 /nfs/dbraw/zinc/64/73/83/600647383.db2.gz PZNJHPIKMGJAKZ-NSHDSACASA-N -1 0 392.795 3.767 20 5 GHBDRM O=C([O-])c1cn(CC(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc12 ZINC000739356313 600815001 /nfs/dbraw/zinc/81/50/01/600815001.db2.gz GUTUPCKDPXEYIB-UHFFFAOYSA-N -1 0 388.763 3.645 20 5 GHBDRM Cc1c(Br)cccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000832848120 600889700 /nfs/dbraw/zinc/88/97/00/600889700.db2.gz POHOQRSOGMVAAS-UHFFFAOYSA-N -1 0 379.166 3.616 20 5 GHBDRM COc1ccc(OCCCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000738048514 600943763 /nfs/dbraw/zinc/94/37/63/600943763.db2.gz HMRWGQNVYBAGQD-UHFFFAOYSA-N -1 0 380.784 3.836 20 5 GHBDRM CC[C@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000237066114 600980976 /nfs/dbraw/zinc/98/09/76/600980976.db2.gz NJHFSJSVURGKTJ-LIRRHRJNSA-N -1 0 382.416 3.949 20 5 GHBDRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000833177800 601093618 /nfs/dbraw/zinc/09/36/18/601093618.db2.gz CDJZEYVBFKNOPU-LRDDRELGSA-N -1 0 380.828 3.744 20 5 GHBDRM COc1cc(/C=C/C(=O)[O-])ccc1Oc1ncc([N+](=O)[O-])cc1Br ZINC000831978164 601224442 /nfs/dbraw/zinc/22/44/42/601224442.db2.gz YGWOVQNEVQLYJT-HWKANZROSA-N -1 0 395.165 3.651 20 5 GHBDRM C[C@@]1(CCc2ccccc2)CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000485726147 601278443 /nfs/dbraw/zinc/27/84/43/601278443.db2.gz QBULEDNRCQFIMZ-OAQYLSRUSA-N -1 0 382.416 3.778 20 5 GHBDRM C[C@]1(CCc2ccccc2)CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000485726146 601278631 /nfs/dbraw/zinc/27/86/31/601278631.db2.gz QBULEDNRCQFIMZ-NRFANRHFSA-N -1 0 382.416 3.778 20 5 GHBDRM Cc1sc(NC(=O)COc2cc([N+](=O)[O-])ccc2Cl)c(C(=O)[O-])c1C ZINC000833036796 601347960 /nfs/dbraw/zinc/34/79/60/601347960.db2.gz PZBGZVXYKQNWIX-UHFFFAOYSA-N -1 0 384.797 3.642 20 5 GHBDRM CC(C)(c1nc(COc2cccc(C(=O)[O-])c2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000826641446 601403247 /nfs/dbraw/zinc/40/32/47/601403247.db2.gz BVQUNVYWCGQZHP-UHFFFAOYSA-N -1 0 383.360 3.581 20 5 GHBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000832777375 601448065 /nfs/dbraw/zinc/44/80/65/601448065.db2.gz KAFYPGXPRLNTLP-AWEZNQCLSA-N -1 0 394.836 3.916 20 5 GHBDRM CC1CCN(c2ccc(C(=O)Nc3ccccc3CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000236672358 601615784 /nfs/dbraw/zinc/61/57/84/601615784.db2.gz FMVAJJVREFBMFN-UHFFFAOYSA-N -1 0 397.431 3.711 20 5 GHBDRM CC(C)(NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000826621439 601707584 /nfs/dbraw/zinc/70/75/84/601707584.db2.gz RWEMNXXIXFNKSS-UHFFFAOYSA-N -1 0 376.344 3.881 20 5 GHBDRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000833132236 601907864 /nfs/dbraw/zinc/90/78/64/601907864.db2.gz YVJOFNHNDKKGBJ-YPMHNXCESA-N -1 0 388.342 3.767 20 5 GHBDRM C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(NC(=O)[O-])nc3)cc2[N+](=O)[O-])C1 ZINC000739113129 601995918 /nfs/dbraw/zinc/99/59/18/601995918.db2.gz NAFSNPYJVBTGNF-LBPRGKRZSA-N -1 0 399.407 3.568 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000262243073 602036269 /nfs/dbraw/zinc/03/62/69/602036269.db2.gz WTRCAVKZKDSPTG-GOSISDBHSA-N -1 0 380.466 3.670 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739051478 602242414 /nfs/dbraw/zinc/24/24/14/602242414.db2.gz FWIAXIFFBJEASU-NSHDSACASA-N -1 0 387.417 3.755 20 5 GHBDRM C[C@@H](Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000827768515 602251578 /nfs/dbraw/zinc/25/15/78/602251578.db2.gz UKHNBRHWTPVFJN-SSDOTTSWSA-N -1 0 376.756 3.701 20 5 GHBDRM CC[C@@H]1Oc2cc([C@H](C)Nc3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)ccc2NC1=O ZINC000829170408 602321383 /nfs/dbraw/zinc/32/13/83/602321383.db2.gz QEICIVITQNCPBB-ZBEGNZNMSA-N -1 0 399.403 3.884 20 5 GHBDRM O=C([O-])N1CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2C1 ZINC000740465842 602488255 /nfs/dbraw/zinc/48/82/55/602488255.db2.gz LYQFWKORQGGFFJ-UHFFFAOYSA-N -1 0 375.768 3.537 20 5 GHBDRM CSc1ccc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000829760951 603176040 /nfs/dbraw/zinc/17/60/40/603176040.db2.gz SJNYHEIZWAAPQA-JTQLQIEISA-N -1 0 375.406 3.898 20 5 GHBDRM O=C([O-])N1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc21 ZINC000740515824 603431036 /nfs/dbraw/zinc/43/10/36/603431036.db2.gz JEZXWRIXKHNXAD-UHFFFAOYSA-N -1 0 381.344 3.876 20 5 GHBDRM O=C([O-])Nc1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000740696336 603434090 /nfs/dbraw/zinc/43/40/90/603434090.db2.gz QJFVDYCDWSHCNX-MRXNPFEDSA-N -1 0 391.380 3.712 20 5 GHBDRM O=C([O-])CC1(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCC1 ZINC000593922023 604332451 /nfs/dbraw/zinc/33/24/51/604332451.db2.gz MEEURQHXDVFJGI-UHFFFAOYSA-N -1 0 386.429 3.873 20 5 GHBDRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000826102847 604375487 /nfs/dbraw/zinc/37/54/87/604375487.db2.gz JXZISGAHRIOPAV-QGZVFWFLSA-N -1 0 381.388 3.658 20 5 GHBDRM O=C([O-])Nc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000833289232 604436707 /nfs/dbraw/zinc/43/67/07/604436707.db2.gz QOXQRWZHJIYLEK-UHFFFAOYSA-N -1 0 380.154 3.700 20 5 GHBDRM CC(=O)N1CC[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC000833393254 604635526 /nfs/dbraw/zinc/63/55/26/604635526.db2.gz ILSQNBRBLSIVTO-DYLHUKMJSA-N -1 0 381.388 3.602 20 5 GHBDRM CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(C(=O)[O-])CCCCC1 ZINC000191299593 604870199 /nfs/dbraw/zinc/87/01/99/604870199.db2.gz IWNMHNMKGVILHN-UHFFFAOYSA-N -1 0 389.433 3.578 20 5 GHBDRM O=C([O-])C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccs1 ZINC000833772505 604876392 /nfs/dbraw/zinc/87/63/92/604876392.db2.gz AQVSZJFCOUOEHB-LLVKDONJSA-N -1 0 388.323 3.621 20 5 GHBDRM CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000833685555 604877890 /nfs/dbraw/zinc/87/78/90/604877890.db2.gz DQUSWXLUJVQNPY-CQSZACIVSA-N -1 0 382.294 3.512 20 5 GHBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-])c1ccc(F)cc1 ZINC000833686332 605003020 /nfs/dbraw/zinc/00/30/20/605003020.db2.gz RIZTZLAXKYIYOT-UHFFFAOYSA-N -1 0 378.381 3.577 20 5 GHBDRM C[C@H](NC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000833520709 605061578 /nfs/dbraw/zinc/06/15/78/605061578.db2.gz GZOITJLNWUJROI-NHYWBVRUSA-N -1 0 391.811 3.824 20 5 GHBDRM C[C@H](Nc1ccc(NC(=O)[O-])c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000833524417 605262681 /nfs/dbraw/zinc/26/26/81/605262681.db2.gz FPJXZEOXYQVWFG-QMMMGPOBSA-N -1 0 396.762 3.916 20 5 GHBDRM CC[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CC[C@@H]1NC(=O)[O-] ZINC000833852099 605357483 /nfs/dbraw/zinc/35/74/83/605357483.db2.gz XGWUBAIZHFVUJD-KUHUBIRLSA-N -1 0 377.444 3.896 20 5 GHBDRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000833383136 605366759 /nfs/dbraw/zinc/36/67/59/605366759.db2.gz RYRDLFOQYBZRPA-SYJIQKIWSA-N -1 0 392.770 3.733 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000592953081 605638081 /nfs/dbraw/zinc/63/80/81/605638081.db2.gz CQGCNGVFLKRXBA-UHFFFAOYSA-N -1 0 397.431 3.793 20 5 GHBDRM O=C([O-])c1ccc(F)c(COC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000833781207 605816770 /nfs/dbraw/zinc/81/67/70/605816770.db2.gz VLPVVHBTZYAFRS-UHFFFAOYSA-N -1 0 398.140 3.552 20 5 GHBDRM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(NC(=O)[O-])ccc2C)cc1OC ZINC000833861250 606008038 /nfs/dbraw/zinc/00/80/38/606008038.db2.gz IAOAZDBQMCGWFF-UHFFFAOYSA-N -1 0 389.364 3.653 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c2ncccc12 ZINC000584445986 834633987 /nfs/dbraw/zinc/63/39/87/834633987.db2.gz UPZOETVMTJKQMB-UHFFFAOYSA-N -1 0 387.417 3.569 20 5 GHBDRM CN(C)[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1ccccc1Cl ZINC000573004313 835200560 /nfs/dbraw/zinc/20/05/60/835200560.db2.gz XBOCBPOGSMBFTI-KRWDZBQOSA-N -1 0 377.828 3.590 20 5 GHBDRM O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179486166 835740912 /nfs/dbraw/zinc/74/09/12/835740912.db2.gz OEROLHMQVPLLRX-CYBMUJFWSA-N -1 0 381.388 3.848 20 5 GHBDRM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000162115357 835816409 /nfs/dbraw/zinc/81/64/09/835816409.db2.gz WYPAQIWWQIJAJT-UHFFFAOYSA-N -1 0 391.449 3.751 20 5 GHBDRM Cc1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000431676073 836674947 /nfs/dbraw/zinc/67/49/47/836674947.db2.gz LXDRDLPYOFWTOB-UHFFFAOYSA-N -1 0 380.809 3.986 20 5 GHBDRM CC(C)C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000610265065 836958481 /nfs/dbraw/zinc/95/84/81/836958481.db2.gz APUJVXFIAFTFQG-CQSZACIVSA-N -1 0 383.857 3.709 20 5 GHBDRM C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000580332968 837334324 /nfs/dbraw/zinc/33/43/24/837334324.db2.gz KVEORMSSCPETJL-VIFPVBQESA-N -1 0 397.200 3.563 20 5 GHBDRM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000547876962 837341601 /nfs/dbraw/zinc/34/16/01/837341601.db2.gz HWZHAYMXMNOCIG-UHFFFAOYSA-N -1 0 398.824 3.672 20 5 GHBDRM Cc1c(CNC(=O)C[C@](C)(C(=O)[O-])c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000414069892 837352038 /nfs/dbraw/zinc/35/20/38/837352038.db2.gz BZVLWBSRMLPHDR-IBGZPJMESA-N -1 0 390.823 3.605 20 5 GHBDRM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000119070615 839450598 /nfs/dbraw/zinc/45/05/98/839450598.db2.gz ZJTNKLHHLFGHOC-QMMMGPOBSA-N -1 0 376.768 3.566 20 5 GHBDRM O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000431894331 839518532 /nfs/dbraw/zinc/51/85/32/839518532.db2.gz PFPQDKFSEDLUOX-UHFFFAOYSA-N -1 0 377.328 3.954 20 5 GHBDRM O=C(Nc1ccccc1)[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000549506625 840442376 /nfs/dbraw/zinc/44/23/76/840442376.db2.gz AHCSACWILPEOIF-HXUWFJFHSA-N -1 0 377.400 3.770 20 5 GHBDRM CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000610261009 841224007 /nfs/dbraw/zinc/22/40/07/841224007.db2.gz QBYAULVRIPUTQH-AWEZNQCLSA-N -1 0 381.429 3.585 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC000131238159 861275465 /nfs/dbraw/zinc/27/54/65/861275465.db2.gz GDBYVGGLGXBVGD-UHFFFAOYSA-N -1 0 378.740 3.650 20 5 GHBDRM Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000106724156 842211661 /nfs/dbraw/zinc/21/16/61/842211661.db2.gz LHHIQRLBENQYRS-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000164670793 842413715 /nfs/dbraw/zinc/41/37/15/842413715.db2.gz PZYWFJDDLMJFLG-SANMLTNESA-N -1 0 376.434 3.600 20 5 GHBDRM C[C@H]1CN(c2cccc3cnccc32)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000549613473 843597180 /nfs/dbraw/zinc/59/71/80/843597180.db2.gz HQDXPRZVFBNYBX-HNNXBMFYSA-N -1 0 378.432 3.559 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ncccc1OCC1CCCCC1 ZINC000609473097 843634540 /nfs/dbraw/zinc/63/45/40/843634540.db2.gz CCKMJDLWOIJSTH-UHFFFAOYSA-N -1 0 391.449 3.750 20 5 GHBDRM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cn2)cc1 ZINC000603979341 861497870 /nfs/dbraw/zinc/49/78/70/861497870.db2.gz QXCLMHPQDDVHSP-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000603982322 861502110 /nfs/dbraw/zinc/50/21/10/861502110.db2.gz GXOQDTJNXMDTEP-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM Cc1cc(Cl)c(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001167939253 844847873 /nfs/dbraw/zinc/84/78/73/844847873.db2.gz RKCSZDVJTQBKJF-UHFFFAOYSA-N -1 0 382.740 3.641 20 5 GHBDRM COc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc(OC)c1Cl ZINC001299160648 844985172 /nfs/dbraw/zinc/98/51/72/844985172.db2.gz MJVXKHJWQPDFQX-UHFFFAOYSA-N -1 0 387.175 3.877 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)cc1Cl ZINC000603975466 861523779 /nfs/dbraw/zinc/52/37/79/861523779.db2.gz BYINUSTXZFVPFJ-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM CC(=O)c1cc(N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)ccc1[N+](=O)[O-] ZINC000574042699 845150710 /nfs/dbraw/zinc/15/07/10/845150710.db2.gz AKYIIKANKURFBD-UHFFFAOYSA-N -1 0 383.404 3.577 20 5 GHBDRM O=[N+]([O-])c1cc2ccccc2nc1Sc1n[n-]c(=NCC(F)(F)F)s1 ZINC000473527814 845355007 /nfs/dbraw/zinc/35/50/07/845355007.db2.gz UGIVURGISBQLSH-UHFFFAOYSA-N -1 0 387.368 3.542 20 5 GHBDRM Cc1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(C)n1[C@@H]1CCOC1 ZINC000599735279 861570831 /nfs/dbraw/zinc/57/08/31/861570831.db2.gz ILFFFSYAPZAEQF-GFCCVEGCSA-N -1 0 379.800 3.586 20 5 GHBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC[C@H]1C(=O)[O-] ZINC000262970428 845729938 /nfs/dbraw/zinc/72/99/38/845729938.db2.gz MQUOHZZKKQEYBL-XJKSGUPXSA-N -1 0 384.388 3.570 20 5 GHBDRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000263128619 845877464 /nfs/dbraw/zinc/87/74/64/845877464.db2.gz CTRFFCFZMAMUHW-CZUORRHYSA-N -1 0 383.404 3.664 20 5 GHBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000263154713 845917788 /nfs/dbraw/zinc/91/77/88/845917788.db2.gz HUOOUPBPZFPLDO-DZGCQCFKSA-N -1 0 383.404 3.664 20 5 GHBDRM Cc1nn(C)c(Sc2n[n-]c(=Nc3cccc(Cl)c3C)s2)c1[N+](=O)[O-] ZINC000513644799 846208592 /nfs/dbraw/zinc/20/85/92/846208592.db2.gz FCRYEDLQLIIPAQ-UHFFFAOYSA-N -1 0 396.885 3.767 20 5 GHBDRM Cc1ccc2[nH]c([C@H]3CCCN(c4nc(C)cc(C(=O)[O-])c4[N+](=O)[O-])C3)nc2c1 ZINC000582184073 846613562 /nfs/dbraw/zinc/61/35/62/846613562.db2.gz KYYIOKIQBKCCEP-ZDUSSCGKSA-N -1 0 395.419 3.565 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000185863015 861721131 /nfs/dbraw/zinc/72/11/31/861721131.db2.gz NPTAAOUWZHKQQX-UHFFFAOYSA-N -1 0 383.379 3.941 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)ccc1Cl ZINC000016730402 847556774 /nfs/dbraw/zinc/55/67/74/847556774.db2.gz XNCAKNRVRKUOKR-UHFFFAOYSA-N -1 0 396.730 3.948 20 5 GHBDRM 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O=C(Nc1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000505287344 850790798 /nfs/dbraw/zinc/79/07/98/850790798.db2.gz KEXUCRUYMQEJSS-UHFFFAOYSA-N -1 0 394.174 3.645 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CCCN(Cc3c(F)cccc3F)C2)c1 ZINC000910355658 851169881 /nfs/dbraw/zinc/16/98/81/851169881.db2.gz WOGQLCFDBOOJNZ-ZDUSSCGKSA-N -1 0 391.374 3.648 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc(C)c(C(F)(F)F)s1 ZINC000515826184 851531505 /nfs/dbraw/zinc/53/15/05/851531505.db2.gz RPNPDGWTGMUWRY-UHFFFAOYSA-N -1 0 395.384 3.742 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CCCC1 ZINC000604493845 862254472 /nfs/dbraw/zinc/25/44/72/862254472.db2.gz HYLVBBBBLTXYJY-UHFFFAOYSA-N -1 0 382.388 3.621 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(-c2nccs2)c1 ZINC000515838910 851547655 /nfs/dbraw/zinc/54/76/55/851547655.db2.gz YCVDMTPVNAIIOT-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ncc(C(F)(F)F)s1 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WCCBWYLYKIKWAF-MRXNPFEDSA-N -1 0 392.477 3.860 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000184958310 858742579 /nfs/dbraw/zinc/74/25/79/858742579.db2.gz CIUZSNDVCCBRRT-MRXNPFEDSA-N -1 0 397.214 3.821 20 5 GHBDRM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280855152 858884961 /nfs/dbraw/zinc/88/49/61/858884961.db2.gz CWRQDLGKRXEBNF-LBPRGKRZSA-N -1 0 392.795 3.764 20 5 GHBDRM Cc1cccc(S(=O)(=O)CCCSCc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000593198982 858940235 /nfs/dbraw/zinc/94/02/35/858940235.db2.gz OFHLOJYSPVKTEN-UHFFFAOYSA-N -1 0 381.475 3.706 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c2cccnc12 ZINC000543643194 859180378 /nfs/dbraw/zinc/18/03/78/859180378.db2.gz ZUKFDHLQQYWRIY-UHFFFAOYSA-N -1 0 387.417 3.569 20 5 GHBDRM Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000509383042 859245032 /nfs/dbraw/zinc/24/50/32/859245032.db2.gz GWVHZADKMQGFJJ-UHFFFAOYSA-N -1 0 397.456 3.998 20 5 GHBDRM Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000509382788 859246889 /nfs/dbraw/zinc/24/68/89/859246889.db2.gz AEAIBKUAMWWVHT-UHFFFAOYSA-N -1 0 383.429 3.690 20 5 GHBDRM COc1ccc(Nc2nc(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)cs2)cc1 ZINC000483442380 859378137 /nfs/dbraw/zinc/37/81/37/859378137.db2.gz PKWGZKMFZIBTNF-UHFFFAOYSA-N -1 0 386.389 3.761 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000611478704 859776308 /nfs/dbraw/zinc/77/63/08/859776308.db2.gz WSCTWURGQJVRJH-AWEZNQCLSA-N -1 0 376.453 3.855 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)sc1Br ZINC000123738410 860062923 /nfs/dbraw/zinc/06/29/23/860062923.db2.gz CUVWMLYENACFFP-UHFFFAOYSA-N -1 0 391.268 3.836 20 5 GHBDRM CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])c2ccccc21 ZINC000598208345 860130697 /nfs/dbraw/zinc/13/06/97/860130697.db2.gz YZHHDUUCMQUSHR-CQSZACIVSA-N -1 0 398.415 3.776 20 5 GHBDRM Cc1cc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])C2)c(O)cc1Cl ZINC000598328177 860236788 /nfs/dbraw/zinc/23/67/88/860236788.db2.gz FXGKDOXKUOOAQS-LLVKDONJSA-N -1 0 376.796 3.598 20 5 GHBDRM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000727797625 860275821 /nfs/dbraw/zinc/27/58/21/860275821.db2.gz QBTWYXIFSLAUFP-UHFFFAOYSA-N -1 0 398.824 3.616 20 5 GHBDRM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185447511 860280434 /nfs/dbraw/zinc/28/04/34/860280434.db2.gz BNYNPJSDRYBYAN-ZDUSSCGKSA-N -1 0 397.431 3.733 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2C)c(C)c1[N+](=O)[O-] ZINC000598718942 860528070 /nfs/dbraw/zinc/52/80/70/860528070.db2.gz WTKLXTYPEHSMFT-UHFFFAOYSA-N -1 0 389.355 3.735 20 5 GHBDRM O=C(NCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1)c1cccs1 ZINC000124941118 860535586 /nfs/dbraw/zinc/53/55/86/860535586.db2.gz VYKWGGMWZIIOEE-UHFFFAOYSA-N -1 0 397.412 3.544 20 5 GHBDRM CC(C)CC(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1F ZINC000124966692 860544334 /nfs/dbraw/zinc/54/43/34/860544334.db2.gz YQQNNQXUSWNBCK-UHFFFAOYSA-N -1 0 375.356 3.676 20 5 GHBDRM O=C([O-])[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@H]1C1CC1 ZINC000593704096 860935849 /nfs/dbraw/zinc/93/58/49/860935849.db2.gz YFPQRKJMGHAECW-ZWKOTPCHSA-N -1 0 396.399 3.570 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCO[C@@H](c3c(F)cccc3Cl)C2)c1 ZINC000593739575 861123770 /nfs/dbraw/zinc/12/37/70/861123770.db2.gz BNBZYYPHTMMWBB-MRXNPFEDSA-N -1 0 394.786 3.659 20 5 GHBDRM O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000603780089 861165271 /nfs/dbraw/zinc/16/52/71/861165271.db2.gz TUVLYDUPISOUSQ-UHFFFAOYSA-N -1 0 396.730 3.773 20 5 GHBDRM CCCc1ccc(-c2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 ZINC000603780810 861167937 /nfs/dbraw/zinc/16/79/37/861167937.db2.gz MBGLQCWCSIJQNR-UHFFFAOYSA-N -1 0 386.433 3.738 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000020626914 863160430 /nfs/dbraw/zinc/16/04/30/863160430.db2.gz ARJSPFUCLMWYSY-UHFFFAOYSA-N -1 0 383.234 3.773 20 5 GHBDRM CC(C)CCn1ncc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1C(C)C ZINC000792706228 881632059 /nfs/dbraw/zinc/63/20/59/881632059.db2.gz PKHGRVIKLJUACO-UHFFFAOYSA-N -1 0 398.460 3.901 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000593922134 863356110 /nfs/dbraw/zinc/35/61/10/863356110.db2.gz JSOUHDFLQATNKY-YMRXKLBXSA-N -1 0 386.429 3.505 20 5 GHBDRM CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000734079905 863983205 /nfs/dbraw/zinc/98/32/05/863983205.db2.gz GCOGEWWAYPCUKG-HNNXBMFYSA-N -1 0 382.482 3.705 20 5 GHBDRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000734082414 863986314 /nfs/dbraw/zinc/98/63/14/863986314.db2.gz XXDQWVSQTIINLQ-GFCCVEGCSA-N -1 0 388.873 3.660 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cnn1CCC(C)C ZINC000137817563 864818456 /nfs/dbraw/zinc/81/84/56/864818456.db2.gz VFUTUUVAZKFMJU-UHFFFAOYSA-N -1 0 380.470 3.563 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)ccc1N1CCCCC1 ZINC000608887275 865817952 /nfs/dbraw/zinc/81/79/52/865817952.db2.gz WIYAQRKARYNJME-UHFFFAOYSA-N -1 0 393.440 3.833 20 5 GHBDRM COCC[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000456277315 866299267 /nfs/dbraw/zinc/29/92/67/866299267.db2.gz CCRSLABCDLXOJT-CQSZACIVSA-N -1 0 398.337 3.827 20 5 GHBDRM CCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000742231559 867146549 /nfs/dbraw/zinc/14/65/49/867146549.db2.gz LBHOAPWZLGEBTH-UHFFFAOYSA-N -1 0 385.239 3.721 20 5 GHBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1csc2ccccc12 ZINC000920334037 882052903 /nfs/dbraw/zinc/05/29/03/882052903.db2.gz LRZDKMJNOHGMIA-UHFFFAOYSA-N -1 0 396.833 3.582 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc2c(cccc2Cl)s1 ZINC000479103913 867174276 /nfs/dbraw/zinc/17/42/76/867174276.db2.gz BSZOCESTWCSGGT-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM Cc1nc2cc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000534684037 867245471 /nfs/dbraw/zinc/24/54/71/867245471.db2.gz XAJFIJRENQSTKY-UHFFFAOYSA-N -1 0 380.813 3.542 20 5 GHBDRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000743048684 867784130 /nfs/dbraw/zinc/78/41/30/867784130.db2.gz WMVRINLALSBERB-UHFFFAOYSA-N -1 0 375.859 3.803 20 5 GHBDRM CCC[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000445229891 867974795 /nfs/dbraw/zinc/97/47/95/867974795.db2.gz XEMYLFKSALSCNC-CQSZACIVSA-N -1 0 382.376 3.622 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2nc3c(ccc4ccccc34)s2)cc1[N+](=O)[O-] ZINC000016154049 869021499 /nfs/dbraw/zinc/02/14/99/869021499.db2.gz KONBMWHQFIHVIG-UHFFFAOYSA-N -1 0 399.453 3.889 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c2cccnc21 ZINC000462369902 869303725 /nfs/dbraw/zinc/30/37/25/869303725.db2.gz RTLYTUBMMVULQV-UHFFFAOYSA-N -1 0 386.414 3.554 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000539612174 869442799 /nfs/dbraw/zinc/44/27/99/869442799.db2.gz FEAHLOCOEAOBRZ-MLGOLLRUSA-N -1 0 380.466 3.615 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC(C)(C)C)cc1 ZINC000525009970 869877412 /nfs/dbraw/zinc/87/74/12/869877412.db2.gz JEFRJHRCKXRSJS-UHFFFAOYSA-N -1 0 380.422 3.582 20 5 GHBDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000446627671 870146405 /nfs/dbraw/zinc/14/64/05/870146405.db2.gz ZBAJALRKEHIXCQ-UHFFFAOYSA-N -1 0 382.463 3.743 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1C ZINC000447002048 870850663 /nfs/dbraw/zinc/85/06/63/870850663.db2.gz YAQCTTCZTQPCIN-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(Br)c1 ZINC000447003698 870854212 /nfs/dbraw/zinc/85/42/12/870854212.db2.gz USPHLQJGOZPUDM-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM O=C([O-])C1(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCCCC1 ZINC000237975495 882450504 /nfs/dbraw/zinc/45/05/04/882450504.db2.gz AFIYQSWIIQVNPX-UHFFFAOYSA-N -1 0 397.431 3.724 20 5 GHBDRM Cc1c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cnn1-c1ccc(F)cc1 ZINC000181540483 871156921 /nfs/dbraw/zinc/15/69/21/871156921.db2.gz FHSMAEUWHRUNLF-UHFFFAOYSA-N -1 0 390.758 3.839 20 5 GHBDRM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000540508398 871445322 /nfs/dbraw/zinc/44/53/22/871445322.db2.gz BBOABJJYFRFASI-UHFFFAOYSA-N -1 0 395.322 3.779 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c1[N+](=O)[O-] ZINC000191760176 882602120 /nfs/dbraw/zinc/60/21/20/882602120.db2.gz VBXAGPYWEBWHSP-UHFFFAOYSA-N -1 0 393.440 3.752 20 5 GHBDRM COc1cc(-c2nc3cccc(Cl)c3s2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000609323659 882618440 /nfs/dbraw/zinc/61/84/40/882618440.db2.gz QQNUCBWWALHMRF-UHFFFAOYSA-N -1 0 394.792 3.997 20 5 GHBDRM Cc1ccc([C@H](C)NC(=O)N=c2nc(-c3ccsc3)[n-]s2)cc1[N+](=O)[O-] ZINC000448003410 872625658 /nfs/dbraw/zinc/62/56/58/872625658.db2.gz HLFGNQGPHAJWPO-JTQLQIEISA-N -1 0 389.462 3.788 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(-c2nccs2)c1 ZINC000619467005 872662890 /nfs/dbraw/zinc/66/28/90/872662890.db2.gz IZMMVJQUPGPKIY-UHFFFAOYSA-N -1 0 391.430 3.528 20 5 GHBDRM O=[N+]([O-])c1ccc(CSc2n[n-]c(=NCC(F)(F)F)s2)c(Cl)c1 ZINC000541077482 872865320 /nfs/dbraw/zinc/86/53/20/872865320.db2.gz QSSFRWIJLSEWLD-UHFFFAOYSA-N -1 0 384.792 3.788 20 5 GHBDRM O=[N+]([O-])c1ccc(CN=c2[n-]nc(CCCc3cccs3)o2)c(Cl)c1 ZINC000541283866 873307424 /nfs/dbraw/zinc/30/74/24/873307424.db2.gz WYAGHDSDFLBEPV-UHFFFAOYSA-N -1 0 378.841 3.902 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)c1C ZINC000768867715 873631174 /nfs/dbraw/zinc/63/11/74/873631174.db2.gz IPBJXBSCCHLUMF-UHFFFAOYSA-N -1 0 385.785 3.574 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)nn1-c1cc(C)cc(C)c1 ZINC000768892407 873653094 /nfs/dbraw/zinc/65/30/94/873653094.db2.gz SDCWYYSAXKGIFE-UHFFFAOYSA-N -1 0 392.462 3.568 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc2c(ccc(F)c2C)s1 ZINC000464911608 874767865 /nfs/dbraw/zinc/76/78/65/874767865.db2.gz RZIVTESUZQQQQP-UHFFFAOYSA-N -1 0 381.410 3.761 20 5 GHBDRM CCOc1c(Cl)cc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1OC ZINC000609337116 883030189 /nfs/dbraw/zinc/03/01/89/883030189.db2.gz XPUQSBOIXUAJBH-PLNGDYQASA-N -1 0 378.768 3.919 20 5 GHBDRM COc1nc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2s1 ZINC000551477151 877285039 /nfs/dbraw/zinc/28/50/39/877285039.db2.gz HBOWJTWFLIHTHO-UHFFFAOYSA-N -1 0 399.837 3.667 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCc2cc(Br)c(Cl)cc21 ZINC000615889500 878223443 /nfs/dbraw/zinc/22/34/43/878223443.db2.gz MOEWJTQURXKSMF-UHFFFAOYSA-N -1 0 397.612 3.919 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCc2cc(Br)c(Cl)cc21 ZINC000615889024 878224893 /nfs/dbraw/zinc/22/48/93/878224893.db2.gz AIOMTHGSFRENOC-UHFFFAOYSA-N -1 0 397.612 3.919 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000180158980 878576593 /nfs/dbraw/zinc/57/65/93/878576593.db2.gz FNONLZMPGAQONU-UHFFFAOYSA-N -1 0 376.221 3.714 20 5 GHBDRM CSc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000776659895 878995784 /nfs/dbraw/zinc/99/57/84/878995784.db2.gz SPDIFVWNGICLRS-ZDUSSCGKSA-N -1 0 396.371 3.541 20 5 GHBDRM O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000789994342 879385481 /nfs/dbraw/zinc/38/54/81/879385481.db2.gz DCFZLCIHNUORNF-UHFFFAOYSA-N -1 0 375.690 3.549 20 5 GHBDRM Cc1cc(Br)cc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000776741175 879848976 /nfs/dbraw/zinc/84/89/76/879848976.db2.gz GCVDOWSMNPVISX-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000790645351 879909933 /nfs/dbraw/zinc/90/99/33/879909933.db2.gz DKZOGYCXYIVRSS-UHFFFAOYSA-N -1 0 380.813 3.542 20 5 GHBDRM CC(C)(C)[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000520156466 879910155 /nfs/dbraw/zinc/91/01/55/879910155.db2.gz KTLCLKCJIICPPY-MRXNPFEDSA-N -1 0 384.404 3.939 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc3ccncc32)cc1[N+](=O)[O-] ZINC000531527499 880030404 /nfs/dbraw/zinc/03/04/04/880030404.db2.gz UVWZWPRIYLTTAN-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM CC(C)(C)OC(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000855197004 880344230 /nfs/dbraw/zinc/34/42/30/880344230.db2.gz YXUHYALVFOTOQP-UHFFFAOYSA-N -1 0 387.392 3.577 20 5 GHBDRM NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175081530 883242803 /nfs/dbraw/zinc/24/28/03/883242803.db2.gz FIQREZAACZGJQY-UHFFFAOYSA-N -1 0 393.277 3.711 20 5 GHBDRM O=C(Cn1c2ccccc2nc1SC(F)F)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000760198265 883283917 /nfs/dbraw/zinc/28/39/17/883283917.db2.gz ZZSCNAILTUENCO-UHFFFAOYSA-N -1 0 394.359 3.604 20 5 GHBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000263071338 883526729 /nfs/dbraw/zinc/52/67/29/883526729.db2.gz GTBJFFDCNAMWHZ-ZIAGYGMSSA-N -1 0 399.403 3.962 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3)s2)ccc1[N+](=O)[O-] ZINC000609690770 883526996 /nfs/dbraw/zinc/52/69/96/883526996.db2.gz CNCKBRKICLSVPF-UHFFFAOYSA-N -1 0 389.458 3.751 20 5 GHBDRM CC(=C([O-])c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477054392 883620338 /nfs/dbraw/zinc/62/03/38/883620338.db2.gz CFSFXBDRPLZVJC-ZDUSSCGKSA-N -1 0 375.446 3.937 20 5 GHBDRM C[C@@H](c1ccccc1Br)N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000193113357 884286570 /nfs/dbraw/zinc/28/65/70/884286570.db2.gz TZWGDBFQHQYMCU-JTQLQIEISA-N -1 0 379.210 3.896 20 5 GHBDRM O=C(Nc1cc(Cl)c([O-])cc1F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000286701467 912860366 /nfs/dbraw/zinc/86/03/66/912860366.db2.gz JDPVBEZFTPVPMM-UHFFFAOYSA-N -1 0 393.802 3.948 20 5 GHBDRM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000191468818 885056488 /nfs/dbraw/zinc/05/64/88/885056488.db2.gz OMIIGKHMAJGBRW-KRWDZBQOSA-N -1 0 384.775 3.957 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000153418228 885213874 /nfs/dbraw/zinc/21/38/74/885213874.db2.gz XPIPSCPXUPHVOV-SFHVURJKSA-N -1 0 398.440 3.738 20 5 GHBDRM CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000762733855 886770590 /nfs/dbraw/zinc/77/05/90/886770590.db2.gz NQYYVQVKRYBQEP-KRWDZBQOSA-N -1 0 396.509 3.580 20 5 GHBDRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000864227197 887645650 /nfs/dbraw/zinc/64/56/50/887645650.db2.gz AVZDESNKOYOCGS-SUMWQHHRSA-N -1 0 388.445 3.716 20 5 GHBDRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000119990476 887701994 /nfs/dbraw/zinc/70/19/94/887701994.db2.gz QDRIRRBFUAHPDC-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C2CCCC2)cc1 ZINC000810518779 888587566 /nfs/dbraw/zinc/58/75/66/888587566.db2.gz RNMLMGDFTNGIQG-UHFFFAOYSA-N -1 0 388.445 3.512 20 5 GHBDRM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001132550463 889079234 /nfs/dbraw/zinc/07/92/34/889079234.db2.gz GXGRPLIAMXXOPF-ZDUSSCGKSA-N -1 0 397.416 3.612 20 5 GHBDRM O=C([O-])C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000532874759 889131023 /nfs/dbraw/zinc/13/10/23/889131023.db2.gz VYPDVNRZGHXEKN-AWEZNQCLSA-N -1 0 384.388 3.714 20 5 GHBDRM Cc1cccc([C@@H](N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)c2ccccn2)c1 ZINC000497540666 891842330 /nfs/dbraw/zinc/84/23/30/891842330.db2.gz BWOWFXSJRLJJGW-LJQANCHMSA-N -1 0 387.399 3.972 20 5 GHBDRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000814020486 892165154 /nfs/dbraw/zinc/16/51/54/892165154.db2.gz LENQRMUTWMWBPQ-SWNWVQGVSA-N -1 0 388.445 3.595 20 5 GHBDRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000814021283 892168515 /nfs/dbraw/zinc/16/85/15/892168515.db2.gz OXYYZEVWLMIXFA-INIZCTEOSA-N -1 0 394.474 3.528 20 5 GHBDRM Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000476005908 892281413 /nfs/dbraw/zinc/28/14/13/892281413.db2.gz GUDHOIKLFJITBY-UHFFFAOYSA-N -1 0 397.431 3.924 20 5 GHBDRM CCc1c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1cccc(Cl)c1 ZINC000192135115 892310265 /nfs/dbraw/zinc/31/02/65/892310265.db2.gz DXFNNMBGUILPRW-UHFFFAOYSA-N -1 0 386.795 3.954 20 5 GHBDRM O=C(NCCc1nc(C2CCCCC2)cs1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000497729854 892311848 /nfs/dbraw/zinc/31/18/48/892311848.db2.gz YOYVTBVBLLAKDP-UHFFFAOYSA-N -1 0 375.450 3.777 20 5 GHBDRM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])ccc2o1 ZINC000917739147 892452449 /nfs/dbraw/zinc/45/24/49/892452449.db2.gz JNJSXUVTZCTXRA-UHFFFAOYSA-N -1 0 393.396 3.973 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(COc3ccccc3)c2)cc1 ZINC000917763019 892489588 /nfs/dbraw/zinc/48/95/88/892489588.db2.gz CDYKQYOJQPIUDL-UHFFFAOYSA-N -1 0 384.413 3.975 20 5 GHBDRM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000815049133 893367703 /nfs/dbraw/zinc/36/77/03/893367703.db2.gz YBRONAXVBLHPFZ-CYBMUJFWSA-N -1 0 394.758 3.672 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3nc4ccccc4s3)C2)n1 ZINC000563208589 893479062 /nfs/dbraw/zinc/47/90/62/893479062.db2.gz YCJZYBVDESCJES-LLVKDONJSA-N -1 0 384.417 3.682 20 5 GHBDRM O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)sc2c1 ZINC000556082200 893693753 /nfs/dbraw/zinc/69/37/53/893693753.db2.gz AWLOEKMZQUPKGC-UHFFFAOYSA-N -1 0 389.458 3.884 20 5 GHBDRM CC(C)(C)c1ccc(CC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001185354348 913809058 /nfs/dbraw/zinc/80/90/58/913809058.db2.gz VNGRUEASJRPOSU-UHFFFAOYSA-N -1 0 380.441 3.552 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1scnc1-c1ccccc1 ZINC000536892767 894043096 /nfs/dbraw/zinc/04/30/96/894043096.db2.gz HLLKAJJKYSBKHI-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000537365983 894837865 /nfs/dbraw/zinc/83/78/65/894837865.db2.gz JGQREGVCXHRTOB-HNNXBMFYSA-N -1 0 397.214 3.636 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N(Cc1ccc(O)cc1)CC1CC1 ZINC000565027185 895356244 /nfs/dbraw/zinc/35/62/44/895356244.db2.gz KYJIRDGGJLLPEI-UHFFFAOYSA-N -1 0 376.796 3.712 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1N1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000565040012 895364876 /nfs/dbraw/zinc/36/48/76/895364876.db2.gz GILHUHDMPJOAKE-GOSISDBHSA-N -1 0 389.839 3.505 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3)on2)c1C ZINC000565343234 895549871 /nfs/dbraw/zinc/54/98/71/895549871.db2.gz PDOZJTIYUSXDLP-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000818049775 896033465 /nfs/dbraw/zinc/03/34/65/896033465.db2.gz WANHYLHDHFBVIV-UHFFFAOYSA-N -1 0 392.220 3.876 20 5 GHBDRM C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@H]1C(=O)[O-] ZINC000566235121 896193887 /nfs/dbraw/zinc/19/38/87/896193887.db2.gz QLKIKDGMQDOEHN-SUMWQHHRSA-N -1 0 384.388 3.570 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cc1 ZINC000821115762 897717365 /nfs/dbraw/zinc/71/73/65/897717365.db2.gz BTJUWOCBHVNWOA-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c(O)c1 ZINC000821127315 897729057 /nfs/dbraw/zinc/72/90/57/897729057.db2.gz GGTHCHAMCFPGMS-UHFFFAOYSA-N -1 0 377.205 3.716 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(Cl)sc3c2)c([N+](=O)[O-])c1 ZINC000821097752 897741469 /nfs/dbraw/zinc/74/14/69/897741469.db2.gz XGXXWURVRCCQRN-UHFFFAOYSA-N -1 0 399.837 3.667 20 5 GHBDRM CC(C)Cn1cc([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cn1 ZINC000821186056 897752969 /nfs/dbraw/zinc/75/29/69/897752969.db2.gz SPTUXYNFLQFDOE-UHFFFAOYSA-N -1 0 393.252 3.555 20 5 GHBDRM CCC[N@H+](C)[C@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000569338505 898557196 /nfs/dbraw/zinc/55/71/96/898557196.db2.gz BWTLKZWJCNALBS-MRXNPFEDSA-N -1 0 391.855 3.767 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)c2ncccc12 ZINC000571132904 899756768 /nfs/dbraw/zinc/75/67/68/899756768.db2.gz SJGCMRRURGSLPF-UHFFFAOYSA-N -1 0 387.417 3.515 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000600876505 903036037 /nfs/dbraw/zinc/03/60/37/903036037.db2.gz YPBYBRFIURCKOM-MZPVMMEZSA-N -1 0 386.429 3.902 20 5 GHBDRM O=C([O-])c1ccc(Nc2cnc3c(Br)cccc3n2)cc1[N+](=O)[O-] ZINC001174503910 907078885 /nfs/dbraw/zinc/07/88/85/907078885.db2.gz NXTYJWFOISPNRA-UHFFFAOYSA-N -1 0 389.165 3.742 20 5 GHBDRM Cn1nc(Br)c2cc(Nc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)ccc21 ZINC001174504409 907080075 /nfs/dbraw/zinc/08/00/75/907080075.db2.gz DBTXADXZTOQJGY-UHFFFAOYSA-N -1 0 391.181 3.686 20 5 GHBDRM O=C([O-])c1ccc(Nc2cccc(F)c2OC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001174505720 907081339 /nfs/dbraw/zinc/08/13/39/907081339.db2.gz KABHSRUOKHXHHB-LBPRGKRZSA-N -1 0 376.340 3.734 20 5 GHBDRM CN(C(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCCCC1 ZINC000779656515 908076492 /nfs/dbraw/zinc/07/64/92/908076492.db2.gz RYBQAHAJRKFDTJ-UHFFFAOYSA-N -1 0 397.431 3.957 20 5 GHBDRM CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000779677241 908138905 /nfs/dbraw/zinc/13/89/05/908138905.db2.gz NYQPOQGMRUBUQD-UHFFFAOYSA-N -1 0 380.404 3.542 20 5 GHBDRM COc1cc(Br)c(F)cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176679085 908206635 /nfs/dbraw/zinc/20/66/35/908206635.db2.gz COJLDCDTOFJNSD-UHFFFAOYSA-N -1 0 385.145 3.947 20 5 GHBDRM O=C([O-])c1cc(Nc2ccc(OCC3CCOCC3)c(F)c2)cc([N+](=O)[O-])c1 ZINC001176679459 908207102 /nfs/dbraw/zinc/20/71/02/908207102.db2.gz KMJHYJIZSHYSNG-UHFFFAOYSA-N -1 0 390.367 3.981 20 5 GHBDRM CC[C@@](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795540339 911041923 /nfs/dbraw/zinc/04/19/23/911041923.db2.gz ALZBMFZWBLPBTG-LTMNZSFGSA-N -1 0 388.807 3.768 20 5 GHBDRM CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC001188688585 916112823 /nfs/dbraw/zinc/11/28/23/916112823.db2.gz GQUREIYYIOAOSV-NSHDSACASA-N -1 0 388.795 3.894 20 5 GHBDRM CCOc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000120045473 919681872 /nfs/dbraw/zinc/68/18/72/919681872.db2.gz MJLAAZUJCDHHSD-UHFFFAOYSA-N -1 0 396.368 3.875 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccnn1C1CCCCC1 ZINC000748612528 923742725 /nfs/dbraw/zinc/74/27/25/923742725.db2.gz JDDCYGREMFBMPW-UHFFFAOYSA-N -1 0 378.454 3.714 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc(Cc2ccccc2)cs1 ZINC000409493505 924691312 /nfs/dbraw/zinc/69/13/12/924691312.db2.gz VQJWUMBYGDDLTH-UHFFFAOYSA-N -1 0 389.458 3.751 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2ccc(Cl)cc2n1 ZINC000410328148 925548743 /nfs/dbraw/zinc/54/87/43/925548743.db2.gz BJKXHLHMRWPJNL-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000410402691 925612797 /nfs/dbraw/zinc/61/27/97/925612797.db2.gz CFMKAIYJQMIAMT-UHFFFAOYSA-N -1 0 390.339 3.813 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cncnc2-c2ccccc2)ccc1Cl ZINC000758407868 930035948 /nfs/dbraw/zinc/03/59/48/930035948.db2.gz MYPNLJDIOSBWIF-UHFFFAOYSA-N -1 0 390.808 3.506 20 5 GHBDRM O=C(NCCCOc1ccc(Cl)cc1Cl)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469625566 930040089 /nfs/dbraw/zinc/04/00/89/930040089.db2.gz OSDUWXILNDVOAG-UHFFFAOYSA-N -1 0 385.203 3.806 20 5 GHBDRM O=[N+]([O-])c1ccc2[nH]nc([N-]S(=O)(=O)C=Cc3ccccc3Cl)c2c1 ZINC000759148670 930289799 /nfs/dbraw/zinc/28/97/99/930289799.db2.gz VCGPLPDAYKXLRP-FPLPWBNLSA-N -1 0 378.797 3.537 20 5 GHBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000780995049 930665146 /nfs/dbraw/zinc/66/51/46/930665146.db2.gz ZSUMXFZUPYETJJ-UHFFFAOYSA-N -1 0 377.378 3.963 20 5 GHBDRM O=C(Nc1ccc(OC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000781071166 930692432 /nfs/dbraw/zinc/69/24/32/930692432.db2.gz RQEVMHPMFVFCPQ-UHFFFAOYSA-N -1 0 378.340 3.772 20 5 GHBDRM Cc1nc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2s1 ZINC000781117078 930705912 /nfs/dbraw/zinc/70/59/12/930705912.db2.gz LUUROQFFEXNJSM-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM CCCCC1CCC(C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000781840515 930997348 /nfs/dbraw/zinc/99/73/48/930997348.db2.gz NDGGEEGFCSHHHR-UHFFFAOYSA-N -1 0 386.445 3.535 20 5 GHBDRM O=[N+]([O-])c1cc2c(ncnc2Sc2n[n-]c(=Nc3ccccc3)s2)s1 ZINC000557478642 931460418 /nfs/dbraw/zinc/46/04/18/931460418.db2.gz NZXXZFHRIFKESN-UHFFFAOYSA-N -1 0 388.459 3.768 20 5 GHBDRM Cc1cc(F)cc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000783962312 931732942 /nfs/dbraw/zinc/73/29/42/931732942.db2.gz XNTJHWXPAZBLDJ-UHFFFAOYSA-N -1 0 386.379 3.760 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000557897331 931742309 /nfs/dbraw/zinc/74/23/09/931742309.db2.gz VAGIEQPSWNVASV-KRWDZBQOSA-N -1 0 382.338 3.893 20 5 GHBDRM Cc1nn(Cc2ccccc2)c(C)c1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000558577273 932083126 /nfs/dbraw/zinc/08/31/26/932083126.db2.gz RHEAOZXCSSLVDC-UHFFFAOYSA-N -1 0 380.404 3.767 20 5 GHBDRM Cc1cc(F)ccc1NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798157461 932547865 /nfs/dbraw/zinc/54/78/65/932547865.db2.gz BUKIQCOUOOEKKM-UHFFFAOYSA-N -1 0 390.758 3.839 20 5 GHBDRM O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1CCC[C@H]2CCC[C@H]21 ZINC000798172548 932551829 /nfs/dbraw/zinc/55/18/29/932551829.db2.gz SOKFULLKVQBBJD-DGCLKSJQSA-N -1 0 390.827 3.544 20 5 GHBDRM Cc1ccc(NC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])c(F)c1 ZINC000798277331 932590126 /nfs/dbraw/zinc/59/01/26/932590126.db2.gz CLUOHOVWYYXYIL-UHFFFAOYSA-N -1 0 390.758 3.839 20 5 GHBDRM COCc1ccccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000560014110 933019975 /nfs/dbraw/zinc/01/99/75/933019975.db2.gz ZZGRRUWKYSJQBM-UHFFFAOYSA-N -1 0 378.450 3.840 20 5 GHBDRM O=C([O-])c1cnc(NCc2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000560056141 933041173 /nfs/dbraw/zinc/04/11/73/933041173.db2.gz BFLXJHVUFKEIQT-UHFFFAOYSA-N -1 0 379.372 3.879 20 5 GHBDRM CCCCS(=O)(=O)[N-]C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000799601088 933059206 /nfs/dbraw/zinc/05/92/06/933059206.db2.gz 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COc1ccc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001594112510 958528683 /nfs/dbraw/zinc/52/86/83/958528683.db2.gz YNHIWHWZBBMTOI-SECBINFHSA-N -1 0 390.417 3.740 20 5 GHBDRM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001591712045 975602634 /nfs/dbraw/zinc/60/26/34/975602634.db2.gz PGUYBEQBUISGOP-MRXNPFEDSA-N -1 0 396.827 3.818 20 5 GHBDRM CC(C)Oc1c(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cccc1C(=O)[O-] ZINC001591746142 975778287 /nfs/dbraw/zinc/77/82/87/975778287.db2.gz DENMDTAZMNLVDO-JKSUJKDBSA-N -1 0 384.388 3.822 20 5 GHBDRM CC[C@H](C)n1ncc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1C1CC1 ZINC001595025724 979132199 /nfs/dbraw/zinc/13/21/99/979132199.db2.gz BQGWEVGJGJIENI-LBPRGKRZSA-N -1 0 388.424 3.715 20 5 GHBDRM C[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC001592729935 979246509 /nfs/dbraw/zinc/24/65/09/979246509.db2.gz UNEGAEJLSOAZEG-VIFPVBQESA-N -1 0 380.198 3.666 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC001595211189 979988986 /nfs/dbraw/zinc/98/89/86/979988986.db2.gz DJPDCLUQXBVAOI-VQIMIIECSA-N -1 0 384.432 3.886 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595213587 980008011 /nfs/dbraw/zinc/00/80/11/980008011.db2.gz VMDZXUSHZFKRCP-LLVKDONJSA-N -1 0 377.784 3.549 20 5 GHBDRM CC[C@H](C)[C@H](NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001594911601 982416849 /nfs/dbraw/zinc/41/68/49/982416849.db2.gz BAIGHBAFQBGBSP-LRDDRELGSA-N -1 0 382.482 3.962 20 5 GHBDRM CC(=O)N(C)c1ccc(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC001589046092 985117047 /nfs/dbraw/zinc/11/70/47/985117047.db2.gz ILWNWYXPMDQOKR-UHFFFAOYSA-N -1 0 377.784 3.541 20 5 GHBDRM CCOc1ccc(C(=O)Nc2nc(C(C)C)c(C(=O)[O-])s2)cc1[N+](=O)[O-] ZINC001597061883 986551433 /nfs/dbraw/zinc/55/14/33/986551433.db2.gz MJCNYMXGBQYVRT-UHFFFAOYSA-N -1 0 379.394 3.524 20 5 GHBDRM C[C@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1F ZINC001589440049 986781936 /nfs/dbraw/zinc/78/19/36/986781936.db2.gz QIHNNYGEMUGLJZ-NSHDSACASA-N -1 0 392.408 3.794 20 5 GHBDRM CC/C(=C\C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC001594691383 987090700 /nfs/dbraw/zinc/09/07/00/987090700.db2.gz SKTKWCLOQSLHDN-OSJHKOOESA-N -1 0 398.415 3.513 20 5 GHBDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC001589532060 987209774 /nfs/dbraw/zinc/20/97/74/987209774.db2.gz NLKCWPGOLRZDAR-SSDOTTSWSA-N -1 0 399.222 3.859 20 5 GHBDRM C[C@@H](C(=O)OCc1cc(C(=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])cc1F ZINC001589548737 987279742 /nfs/dbraw/zinc/27/97/42/987279742.db2.gz MWWBGCVDLKBXGH-SECBINFHSA-N -1 0 381.743 3.932 20 5 GHBDRM CC(C)(C(=O)[O-])C(=O)CSc1nc2ccccc2c2nc3ccccc3n21 ZINC001589589013 987389793 /nfs/dbraw/zinc/38/97/93/987389793.db2.gz RPNQYHDTWNRTIJ-UHFFFAOYSA-N -1 0 379.441 3.808 20 5 GHBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001599822026 988531508 /nfs/dbraw/zinc/53/15/08/988531508.db2.gz BIIDQHWBJMDIDP-OAHLLOKOSA-N -1 0 380.466 3.718 20 5 GHBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001599822916 988545363 /nfs/dbraw/zinc/54/53/63/988545363.db2.gz OHKPVNKUSFUYIT-UHFFFAOYSA-N -1 0 381.435 3.847 20 5 GHBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001599823122 988549225 /nfs/dbraw/zinc/54/92/25/988549225.db2.gz YXKDTEUOJXMRPQ-UHFFFAOYSA-N -1 0 398.343 3.869 20 5 GHBDRM CC(C)(C)OC(=O)NCCCCCCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001590184729 989534286 /nfs/dbraw/zinc/53/42/86/989534286.db2.gz FXMPUGZCBSTQET-UHFFFAOYSA-N -1 0 382.413 3.757 20 5 GHBDRM CN(C(=O)/C=C\c1cc(C(=O)[O-])co1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001598006125 990157562 /nfs/dbraw/zinc/15/75/62/990157562.db2.gz IOWHVUJMVZZJBA-SREVYHEPSA-N -1 0 399.384 3.686 20 5 GHBDRM CC(C)(C)c1nc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)sc1C(=O)[O-] ZINC001590544971 990177979 /nfs/dbraw/zinc/17/79/79/990177979.db2.gz 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C[C@](NC(=O)c1cccc2c1CCCCC2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593176075 994051238 /nfs/dbraw/zinc/05/12/38/994051238.db2.gz JRIHEUWPTGTSNZ-OAQYLSRUSA-N -1 0 382.416 3.594 20 5 GHBDRM CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CO1 ZINC001593853757 996633363 /nfs/dbraw/zinc/63/33/63/996633363.db2.gz HJRTYYGPPGHNJC-SFHVURJKSA-N -1 0 398.415 3.503 20 5 GHBDRM CC1(C)CC[C@H](CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2ccccc21 ZINC001593877977 996702333 /nfs/dbraw/zinc/70/23/33/996702333.db2.gz LFUAASIEIIXTHW-CYBMUJFWSA-N -1 0 382.416 3.878 20 5 GHBDRM CC1(C)CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC001593942575 996968444 /nfs/dbraw/zinc/96/84/44/996968444.db2.gz KEMGYVIVTNBXAX-QGZVFWFLSA-N -1 0 376.434 3.703 20 5 GHBDRM COC(=O)[C@@H]1C[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC001598902385 997196133 /nfs/dbraw/zinc/19/61/33/997196133.db2.gz IJUPOSPFCIBYPH-FUZMGVLZSA-N -1 0 382.372 3.506 20 5 GHBDRM COc1cc(Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc(OC)c1Br ZINC001599445586 998003936 /nfs/dbraw/zinc/00/39/36/998003936.db2.gz QVSLAEKWGZYPIL-UHFFFAOYSA-N -1 0 397.181 3.816 20 5 GHBDRM COc1cc(Br)cc(NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001599346859 998022238 /nfs/dbraw/zinc/02/22/38/998022238.db2.gz PCRCQCHUSVVOHR-UHFFFAOYSA-N -1 0 381.182 3.676 20 5 GHBDRM COc1ccc(C[C@H]2CCCCN2c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC001599553395 998048773 /nfs/dbraw/zinc/04/87/73/998048773.db2.gz YNENYOXPRGSBDA-OAHLLOKOSA-N -1 0 385.420 3.607 20 5 GHBDRM COc1cc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)ccc1[N+](=O)[O-] ZINC001599353046 998130466 /nfs/dbraw/zinc/13/04/66/998130466.db2.gz HKETWRUZZGYHQH-HNNXBMFYSA-N -1 0 378.425 3.537 20 5 GHBDRM COc1cc(OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])ccc1Br ZINC001599456892 998203462 /nfs/dbraw/zinc/20/34/62/998203462.db2.gz MKZMSTRRNFWTHU-UHFFFAOYSA-N -1 0 382.166 3.643 20 5 GHBDRM COc1cc(Oc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)ccc1C(=O)[O-] ZINC001599457316 998209951 /nfs/dbraw/zinc/20/99/51/998209951.db2.gz DYDSMFKNBLEZGP-UHFFFAOYSA-N -1 0 375.724 3.691 20 5 GHBDRM C[C@H]1CCCN(c2ccc(C(=O)Oc3ccc(CC(=O)[O-])cc3)cc2[N+](=O)[O-])C1 ZINC001594389871 999477730 /nfs/dbraw/zinc/47/77/30/999477730.db2.gz XEWZJOCHFVNJHX-AWEZNQCLSA-N -1 0 398.415 3.677 20 5 GHBDRM O=C([O-])C1(CC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCCC1 ZINC000562580282 1018344264 /nfs/dbraw/zinc/34/42/64/1018344264.db2.gz RXWIYPOKCYRMGL-UHFFFAOYSA-N -1 0 388.342 3.655 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])sc1C(F)(F)F ZINC000572101929 1019743683 /nfs/dbraw/zinc/74/36/83/1019743683.db2.gz ZMXHGQTYAWNXBQ-UHFFFAOYSA-N -1 0 395.384 3.796 20 5 GHBDRM O=C([O-])[C@@H](Cc1cccc2ccccc21)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000578708972 1020355779 /nfs/dbraw/zinc/35/57/79/1020355779.db2.gz WLWQRRNDJFHRIS-GOSISDBHSA-N -1 0 397.362 3.705 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)c1[N+](=O)[O-] ZINC000191788082 1020813203 /nfs/dbraw/zinc/81/32/03/1020813203.db2.gz CFDANSYECVRDAF-UHFFFAOYSA-N -1 0 389.477 3.736 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000754766474 1022884663 /nfs/dbraw/zinc/88/46/63/1022884663.db2.gz YUDDTVCSTCNWSA-UHFFFAOYSA-N -1 0 387.392 3.905 20 5 GHBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000755087672 1023067441 /nfs/dbraw/zinc/06/74/41/1023067441.db2.gz XSDMAEZDNVQMJQ-UHFFFAOYSA-N -1 0 385.785 3.574 20 5 GHBDRM CCCCc1nc2cc([N-]S(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])ccc2[nH]1 ZINC000755981593 1023463647 /nfs/dbraw/zinc/46/36/47/1023463647.db2.gz VRQFWWBTHQDACZ-UHFFFAOYSA-N -1 0 392.412 3.754 20 5 GHBDRM O=[N+]([O-])c1c([O-])cc(O)cc1O[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC001228973683 1033211385 /nfs/dbraw/zinc/21/13/85/1033211385.db2.gz LIMMSEIPKKHANE-LBPRGKRZSA-N -1 0 399.230 3.966 20 5 GHBDRM COc1ccc(Cl)cc1-c1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])n[nH]1 ZINC001163256212 1026107963 /nfs/dbraw/zinc/10/79/63/1026107963.db2.gz AIKAHLJSXNSJIO-UHFFFAOYSA-N -1 0 388.767 3.605 20 5 GHBDRM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001210632061 1027582193 /nfs/dbraw/zinc/58/21/93/1027582193.db2.gz ONHCNGIUEZFDEC-JQWIXIFHSA-N -1 0 399.321 3.854 20 5 GHBDRM Cc1c(C(=O)[O-])ccc(-n2c3ccccc3nc3cc(N)c(=O)cc2-3)c1Cl ZINC001215692294 1029351447 /nfs/dbraw/zinc/35/14/47/1029351447.db2.gz HOXZEOHAQIWUQO-UHFFFAOYSA-N -1 0 379.803 3.733 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(-c3cccc(F)c3Br)no2)c([O-])c1 ZINC001216563529 1029687882 /nfs/dbraw/zinc/68/78/82/1029687882.db2.gz FBFZBKAYATZSQS-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM COc1cc2c(cc1-c1noc(-c3cccc([N+](=O)[O-])c3[O-])n1)CCCC2=O ZINC001216702412 1029735235 /nfs/dbraw/zinc/73/52/35/1029735235.db2.gz RPXFGKHVIQVLCV-UHFFFAOYSA-N -1 0 381.344 3.545 20 5 GHBDRM CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC001149216056 1030095373 /nfs/dbraw/zinc/09/53/73/1030095373.db2.gz ANTPTGKMKFPKCG-KRWDZBQOSA-N -1 0 398.806 3.605 20 5 GHBDRM CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001153711997 1031716343 /nfs/dbraw/zinc/71/63/43/1031716343.db2.gz BYTXYMMPJWQRDI-AWEZNQCLSA-N -1 0 376.359 3.987 20 5 GHBDRM Cc1ccc(C(=O)[C@@H](Oc2[n-]c(=O)ncc2[N+](=O)[O-])c2ccc(C)cc2)cc1 ZINC001226332543 1031919210 /nfs/dbraw/zinc/91/92/10/1031919210.db2.gz VRUMEKKABXBUHN-SFHVURJKSA-N -1 0 379.372 3.710 20 5 GHBDRM CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cc2C1 ZINC001158249363 1033987886 /nfs/dbraw/zinc/98/78/86/1033987886.db2.gz ISCSVLFBHAWVRS-UHFFFAOYSA-N -1 0 399.403 3.803 20 5 GHBDRM O=C(Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001248000987 1038532967 /nfs/dbraw/zinc/53/29/67/1038532967.db2.gz WJRYJOLTQCSHJY-UHFFFAOYSA-N -1 0 399.413 3.796 20 5 GHBDRM CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccc3cc4ccccc4cc3c2)nc1 ZINC001240683931 1042950025 /nfs/dbraw/zinc/95/00/25/1042950025.db2.gz XIUYVQIWNBLWFI-UHFFFAOYSA-N -1 0 376.437 3.880 20 5 GHBDRM CCCSc1nc(=NC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)s[n-]1 ZINC000476501181 1043938013 /nfs/dbraw/zinc/93/80/13/1043938013.db2.gz VIKXQCQPIIPGDM-GFCCVEGCSA-N -1 0 381.483 3.643 20 5 GHBDRM CCC(CC)(CC)NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001293634519 1044272858 /nfs/dbraw/zinc/27/28/58/1044272858.db2.gz HSXABNUUVOCTQY-UHFFFAOYSA-N -1 0 380.832 3.838 20 5 GHBDRM C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001294607252 1044724640 /nfs/dbraw/zinc/72/46/40/1044724640.db2.gz CXVTUOHUJLYWFJ-VIFPVBQESA-N -1 0 397.200 3.563 20 5 GHBDRM COc1cccc(-c2cc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])on2)c1 ZINC001295614970 1045072200 /nfs/dbraw/zinc/07/22/00/1045072200.db2.gz QJVQPJUOVYWHOT-UHFFFAOYSA-N -1 0 389.751 3.870 20 5 GHBDRM CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001295614596 1045072556 /nfs/dbraw/zinc/07/25/56/1045072556.db2.gz MFPZMSTWUUZXBW-CYBMUJFWSA-N -1 0 399.831 3.538 20 5 GHBDRM O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001295674768 1045094139 /nfs/dbraw/zinc/09/41/39/1045094139.db2.gz LTZSTYPKTKSACT-SNVBAGLBSA-N -1 0 396.230 3.616 20 5 GHBDRM O=C(NCCOCc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1[O-] ZINC001295810133 1045152519 /nfs/dbraw/zinc/15/25/19/1045152519.db2.gz YFNJKCHVBOPMHV-UHFFFAOYSA-N -1 0 385.203 3.554 20 5 GHBDRM CC[C@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC001295821279 1045154033 /nfs/dbraw/zinc/15/40/33/1045154033.db2.gz WKBHDPKRJOQHIG-HNNXBMFYSA-N -1 0 384.367 3.506 20 5 GHBDRM O=C(NCC1(c2cccc(F)c2F)CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001296333767 1045300598 /nfs/dbraw/zinc/30/05/98/1045300598.db2.gz UIKLPJQVTZTFKL-UHFFFAOYSA-N -1 0 376.359 3.820 20 5 GHBDRM O=C(N[C@@H]1CSc2ccc(Br)cc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC001297389855 1045508436 /nfs/dbraw/zinc/50/84/36/1045508436.db2.gz OKKUDZAWIDDPDX-GFCCVEGCSA-N -1 0 395.234 3.640 20 5 GHBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC001306883783 1048943579 /nfs/dbraw/zinc/94/35/79/1048943579.db2.gz FUKCZESBJNPKPT-UHFFFAOYSA-N -1 0 398.444 3.583 20 5 GHBDRM Cc1ccc([C@@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C(F)(F)F)o1 ZINC001309630181 1050879235 /nfs/dbraw/zinc/87/92/35/1050879235.db2.gz VLMVCRGOAPQZPD-CQSZACIVSA-N -1 0 392.355 3.695 20 5 GHBDRM C[C@H](NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1csc2ccccc21 ZINC001309932727 1051053593 /nfs/dbraw/zinc/05/35/93/1051053593.db2.gz FUDRJOULGJWJDL-JTQLQIEISA-N -1 0 378.431 3.555 20 5 GHBDRM O=C([O-])Cc1ccc(Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001330850687 1051129519 /nfs/dbraw/zinc/12/95/19/1051129519.db2.gz PYMGDVXNZICDIB-UHFFFAOYSA-N -1 0 386.238 3.941 20 5 GHBDRM CC(C)(C)n1c2ccccc2nc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001319406814 1055232248 /nfs/dbraw/zinc/23/22/48/1055232248.db2.gz ROFRPXASQGPNGJ-UHFFFAOYSA-N -1 0 382.376 3.650 20 5 GHBDRM O=C(NCC[C@@H]1CSc2ccccc2O1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001452158061 1060908450 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UVXDVCVKVSDZAL-LBPRGKRZSA-N -1 0 391.594 3.933 20 5 GHBDRM Nc1cc(C(F)(F)F)ccc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001546162475 1067284087 /nfs/dbraw/zinc/28/40/87/1067284087.db2.gz LCMOETORJNJFOI-UHFFFAOYSA-N -1 0 375.690 3.807 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CC=C(c3cccc4ccccc43)C2)ccc1[O-] ZINC001475171904 1074768543 /nfs/dbraw/zinc/76/85/43/1074768543.db2.gz NPPICNSNEAEEHJ-UHFFFAOYSA-N -1 0 396.424 3.542 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cc1ccccc1 ZINC000007708590 206221985 /nfs/dbraw/zinc/22/19/85/206221985.db2.gz USMQOSXPPHPCAR-UHFFFAOYSA-N -1 0 398.440 3.995 20 5 GHBDRM Cc1c(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cccc1OCC(F)(F)F ZINC000539570402 599747160 /nfs/dbraw/zinc/74/71/60/599747160.db2.gz QALQXWYUVQUFHR-UHFFFAOYSA-N -1 0 398.293 3.795 20 5 GHBDRM CCOc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000485805066 599922330 /nfs/dbraw/zinc/92/23/30/599922330.db2.gz SKUMICCFJDIQOM-UHFFFAOYSA-N -1 0 390.417 3.564 20 5 GHBDRM O=C([O-])CSCc1cccc(NC(=O)CSc2ccccc2[N+](=O)[O-])c1 ZINC000739871258 599952992 /nfs/dbraw/zinc/95/29/92/599952992.db2.gz ADIPLYSJVARQEN-UHFFFAOYSA-N -1 0 392.458 3.643 20 5 GHBDRM O=C([O-])c1cc(F)ccc1COC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000740291041 600111475 /nfs/dbraw/zinc/11/14/75/600111475.db2.gz QFYMLWXDHZIUHG-UHFFFAOYSA-N -1 0 398.140 3.552 20 5 GHBDRM O=C([O-])CCSCc1cccc(NC(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000739753578 600124478 /nfs/dbraw/zinc/12/44/78/600124478.db2.gz BRHJADMQWBRPAD-UHFFFAOYSA-N -1 0 389.433 3.624 20 5 GHBDRM CCCOc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1OCC ZINC000737030749 600188667 /nfs/dbraw/zinc/18/86/67/600188667.db2.gz DZXNBCRQFWRBTA-UHFFFAOYSA-N -1 0 388.376 3.733 20 5 GHBDRM Cc1nc(-c2ccccc2)c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000738831499 600191349 /nfs/dbraw/zinc/19/13/49/600191349.db2.gz GYDAUPBIKCIZJN-UHFFFAOYSA-N -1 0 383.385 3.977 20 5 GHBDRM C[C@H](Sc1nc2ccc(C(=O)[O-])cc2o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000736719037 600277527 /nfs/dbraw/zinc/27/75/27/600277527.db2.gz XAOCERRYPHULEQ-VIFPVBQESA-N -1 0 387.373 3.554 20 5 GHBDRM O=C([O-])c1cccc(OCCOc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000740232723 600363134 /nfs/dbraw/zinc/36/31/34/600363134.db2.gz UJWMYNGNYGOVIQ-UHFFFAOYSA-N -1 0 382.166 3.513 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000738399555 600481651 /nfs/dbraw/zinc/48/16/51/600481651.db2.gz NTHILZGLQGIMMO-UHFFFAOYSA-N -1 0 388.763 3.815 20 5 GHBDRM C[C@H]1SCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000262156742 600482449 /nfs/dbraw/zinc/48/24/49/600482449.db2.gz PDXIEWOITRJKEQ-PXAZEXFGSA-N -1 0 386.429 3.612 20 5 GHBDRM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000738601448 600542606 /nfs/dbraw/zinc/54/26/06/600542606.db2.gz FFRAMLDRNWLITH-JTQLQIEISA-N -1 0 378.768 3.661 20 5 GHBDRM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000833233733 600980986 /nfs/dbraw/zinc/98/09/86/600980986.db2.gz AJKIGKKIJVNDOQ-UHFFFAOYSA-N -1 0 398.749 3.644 20 5 GHBDRM CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737325977 601007862 /nfs/dbraw/zinc/00/78/62/601007862.db2.gz RFETWCLBVYCAQU-INIZCTEOSA-N -1 0 397.214 3.728 20 5 GHBDRM CSc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000832774161 601081322 /nfs/dbraw/zinc/08/13/22/601081322.db2.gz CBFMAZCUKZSWJX-ZBFHGGJFSA-N -1 0 392.477 3.812 20 5 GHBDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000827046987 601446810 /nfs/dbraw/zinc/44/68/10/601446810.db2.gz CJGYGEQWVIYZGQ-UHFFFAOYSA-N -1 0 378.768 3.986 20 5 GHBDRM Cc1cc(NCc2cccnc2OCC(F)(F)F)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000584842722 601545266 /nfs/dbraw/zinc/54/52/66/601545266.db2.gz DYXDFTSEAUOGQJ-UHFFFAOYSA-N -1 0 385.298 3.550 20 5 GHBDRM C[C@]1(CNc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000828106900 601560818 /nfs/dbraw/zinc/56/08/18/601560818.db2.gz HLAHHSLYBGMZKZ-HXUWFJFHSA-N -1 0 384.388 3.505 20 5 GHBDRM 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388.401 3.840 20 5 GHBDRM CCOc1cc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])ccc1OC(F)F ZINC000436908169 852473433 /nfs/dbraw/zinc/47/34/33/852473433.db2.gz IBRGVEWKZGRSAX-UHFFFAOYSA-N -1 0 396.346 3.573 20 5 GHBDRM COc1ccc(N(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2[O-])cc1F ZINC000436917218 852495776 /nfs/dbraw/zinc/49/57/76/852495776.db2.gz BAALDBNOKVVGHK-UHFFFAOYSA-N -1 0 386.335 3.888 20 5 GHBDRM O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436927903 852508986 /nfs/dbraw/zinc/50/89/86/852508986.db2.gz UIJHMCACPOWBII-UHFFFAOYSA-N -1 0 398.419 3.961 20 5 GHBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1nc2ccccc2n1C(F)F ZINC000436951160 852514765 /nfs/dbraw/zinc/51/47/65/852514765.db2.gz DSYIDJULTUJRNS-SECBINFHSA-N -1 0 376.319 3.536 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1NC(=O)c1ccncc1 ZINC000436968045 852540119 /nfs/dbraw/zinc/54/01/19/852540119.db2.gz UQQXRHVKVIZZRN-UHFFFAOYSA-N -1 0 392.371 3.508 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000436988056 852576657 /nfs/dbraw/zinc/57/66/57/852576657.db2.gz JMWKHIQAPHPOAD-HNNXBMFYSA-N -1 0 386.795 3.807 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)ccc1[N+](=O)[O-] ZINC000438723794 852779557 /nfs/dbraw/zinc/77/95/57/852779557.db2.gz NILWUDZKFSNPMA-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=C(NCCc1cc(Cl)ccc1Br)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507329952 852799517 /nfs/dbraw/zinc/79/95/17/852799517.db2.gz ZCNOERGNXUMXAL-UHFFFAOYSA-N -1 0 399.628 3.689 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000509553256 852905910 /nfs/dbraw/zinc/90/59/10/852905910.db2.gz HGDKTHKPFFNRRB-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000614539516 853871950 /nfs/dbraw/zinc/87/19/50/853871950.db2.gz BIVFHDQSTDPGMA-CYBMUJFWSA-N -1 0 383.404 3.782 20 5 GHBDRM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000055584992 854012455 /nfs/dbraw/zinc/01/24/55/854012455.db2.gz NITFYPXFHLUKDJ-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000131542878 854836930 /nfs/dbraw/zinc/83/69/30/854836930.db2.gz XELGUAVWPVJIRT-UHFFFAOYSA-N -1 0 398.394 3.534 20 5 GHBDRM Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000589558074 855025649 /nfs/dbraw/zinc/02/56/49/855025649.db2.gz VNDOYUGKPMYRAS-UHFFFAOYSA-N -1 0 389.355 3.735 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2c(-c3ccccc3)ncn2C2CC2)ccc1[N+](=O)[O-] ZINC000589596296 855077193 /nfs/dbraw/zinc/07/71/93/855077193.db2.gz DSAVJVINEVPWPT-UHFFFAOYSA-N -1 0 398.444 3.902 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000590421919 855400215 /nfs/dbraw/zinc/40/02/15/855400215.db2.gz DXSRZZPIQOJHIN-UHFFFAOYSA-N -1 0 380.322 3.634 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(OC2CCOCC2)cc1 ZINC000542749673 855598871 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390.446 3.531 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)cc1 ZINC000542930759 856882391 /nfs/dbraw/zinc/88/23/91/856882391.db2.gz WDNUHAVKJYNLGT-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM C[C@@H](c1ccc(Cl)cc1)N1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000569107190 856919818 /nfs/dbraw/zinc/91/98/18/856919818.db2.gz PJKZYAROCTWUHQ-ZDUSSCGKSA-N -1 0 389.839 3.830 20 5 GHBDRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)n[nH]1 ZINC000184867688 857568314 /nfs/dbraw/zinc/56/83/14/857568314.db2.gz RHGABBDIICPRLT-NSHDSACASA-N -1 0 389.437 3.571 20 5 GHBDRM Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442236522 857662306 /nfs/dbraw/zinc/66/23/06/857662306.db2.gz KWNDFRXYDLHFRV-AWEZNQCLSA-N -1 0 386.433 3.510 20 5 GHBDRM Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2)n1 ZINC000164775643 862939118 /nfs/dbraw/zinc/93/91/18/862939118.db2.gz QXVBNKKXQUEXTE-AWEZNQCLSA-N -1 0 380.404 3.594 20 5 GHBDRM Cc1cccc(C(=O)NCc2c(C(=O)[O-])sc3ccsc32)c1[N+](=O)[O-] ZINC000486386152 857699317 /nfs/dbraw/zinc/69/93/17/857699317.db2.gz JNFDOMOAXNDAIS-UHFFFAOYSA-N -1 0 376.415 3.808 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000595243459 858450066 /nfs/dbraw/zinc/45/00/66/858450066.db2.gz FKGDQDGBWBHDJU-VYDXJSESSA-N -1 0 388.464 3.998 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N[C@](C)(CCF)C(=O)[O-])cc1[N+](=O)[O-] ZINC000595248517 858451579 /nfs/dbraw/zinc/45/15/79/858451579.db2.gz IFRLQLSCWNVDMP-QGZVFWFLSA-N -1 0 386.445 3.666 20 5 GHBDRM CC(C)c1ccc(OC2CCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])CC2)cc1 ZINC000592970160 858455806 /nfs/dbraw/zinc/45/58/06/858455806.db2.gz NYIXYBLCRFDGLW-UHFFFAOYSA-N -1 0 385.420 3.859 20 5 GHBDRM CCc1cc(N2CCC[C@H](CCC(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595973990 858736335 /nfs/dbraw/zinc/73/63/35/858736335.db2.gz KQGPWQDVFVSOJA-CQSZACIVSA-N -1 0 384.436 3.695 20 5 GHBDRM CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000132518182 859177278 /nfs/dbraw/zinc/17/72/78/859177278.db2.gz JXRGZNGGBLLFNC-UHFFFAOYSA-N -1 0 398.394 3.534 20 5 GHBDRM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cc2)n1 ZINC000522365365 859223217 /nfs/dbraw/zinc/22/32/17/859223217.db2.gz SXBVIJOJCUPREA-UHFFFAOYSA-N -1 0 398.444 3.778 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000597160973 859323189 /nfs/dbraw/zinc/32/31/89/859323189.db2.gz GJXFPZDWLOENFH-CYBMUJFWSA-N -1 0 386.379 3.842 20 5 GHBDRM CN(C)c1nc2sc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])cc2s1 ZINC000543678240 859390248 /nfs/dbraw/zinc/39/02/48/859390248.db2.gz JKKPZJJYQGMKRA-UHFFFAOYSA-N -1 0 398.853 3.943 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)cc1C ZINC000060505385 859396907 /nfs/dbraw/zinc/39/69/07/859396907.db2.gz SJCSRLGEIZIEHZ-HNNXBMFYSA-N -1 0 388.367 3.794 20 5 GHBDRM O=C(N=c1cccn[n-]1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466430172 859463691 /nfs/dbraw/zinc/46/36/91/859463691.db2.gz GSCYUPXHQLIMSS-UHFFFAOYSA-N -1 0 386.820 3.864 20 5 GHBDRM O=C([O-])c1cc(C(=O)Nc2nnc(CC3CCCCC3)s2)cc([N+](=O)[O-])c1 ZINC000738672575 859485184 /nfs/dbraw/zinc/48/51/84/859485184.db2.gz IVLCLUOMRDHKEZ-UHFFFAOYSA-N -1 0 390.421 3.520 20 5 GHBDRM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])c2)n1 ZINC000161079677 859567173 /nfs/dbraw/zinc/56/71/73/859567173.db2.gz JWODJEDBIBSTNL-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000466470975 859660233 /nfs/dbraw/zinc/66/02/33/859660233.db2.gz AWUNPXXSDRKDIG-UHFFFAOYSA-N -1 0 392.433 3.614 20 5 GHBDRM O=C([O-])c1cc(C(=O)NCc2ccc(OC3CCCC3)cc2)cc([N+](=O)[O-])c1 ZINC000611464504 859765490 /nfs/dbraw/zinc/76/54/90/859765490.db2.gz KFDGVGBZRQBUEB-UHFFFAOYSA-N -1 0 384.388 3.544 20 5 GHBDRM CCOC(=O)c1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc([N+](=O)[O-])c1 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ZINC000537753293 878243460 /nfs/dbraw/zinc/24/34/60/878243460.db2.gz VOPRSRVIVRCMHG-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000460833795 878686085 /nfs/dbraw/zinc/68/60/85/878686085.db2.gz REPHTCGTJXPJBJ-UHFFFAOYSA-N -1 0 396.730 3.790 20 5 GHBDRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1 ZINC000789482677 879006975 /nfs/dbraw/zinc/00/69/75/879006975.db2.gz MPWUVJGRUDETSS-OAHLLOKOSA-N -1 0 390.461 3.600 20 5 GHBDRM CC(C)c1nc2ccc(NS(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2s1 ZINC000520017920 879193483 /nfs/dbraw/zinc/19/34/83/879193483.db2.gz HFAZYFZCKBQRNM-UHFFFAOYSA-N -1 0 393.446 3.834 20 5 GHBDRM CO[C@H]1CCOc2c([N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])cccc21 ZINC000790347878 879618353 /nfs/dbraw/zinc/61/83/53/879618353.db2.gz FXGMRZHTOWHEHP-AWEZNQCLSA-N -1 0 398.824 3.519 20 5 GHBDRM Cc1c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])onc1C1CCCCC1 ZINC000551171885 883381789 /nfs/dbraw/zinc/38/17/89/883381789.db2.gz 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Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000237767917 884852005 /nfs/dbraw/zinc/85/20/05/884852005.db2.gz PGRMQFNJMSCVHN-CQSZACIVSA-N -1 0 380.759 3.642 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)ccc1Cl ZINC000761908623 884966615 /nfs/dbraw/zinc/96/66/15/884966615.db2.gz SNEHGEGDHKRMJJ-UHFFFAOYSA-N -1 0 392.767 3.693 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nnc(C[C@@H](C)CC(C)(C)C)o1 ZINC000194883414 885308921 /nfs/dbraw/zinc/30/89/21/885308921.db2.gz KBJJNSJJPAWMFR-LLVKDONJSA-N -1 0 396.469 3.702 20 5 GHBDRM CCSCc1ccnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000123726783 885377671 /nfs/dbraw/zinc/37/76/71/885377671.db2.gz KUHWUMFJFHXASG-UHFFFAOYSA-N -1 0 381.479 3.661 20 5 GHBDRM Cc1c(COC(C)(C)C)cccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000476433662 885789939 /nfs/dbraw/zinc/78/99/39/885789939.db2.gz VTKCGTIGLOXHKH-UHFFFAOYSA-N -1 0 394.449 3.725 20 5 GHBDRM CCCSc1nc(=NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s[n-]1 ZINC000476476105 885984184 /nfs/dbraw/zinc/98/41/84/885984184.db2.gz LACCADQUJVOPCI-SNVBAGLBSA-N -1 0 381.483 3.561 20 5 GHBDRM Cc1ccc(CSCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[nH][nH]2)cc1 ZINC000499030836 886382755 /nfs/dbraw/zinc/38/27/55/886382755.db2.gz OLLHZWYQXKUVSM-UHFFFAOYSA-N -1 0 382.445 3.587 20 5 GHBDRM COc1cc(CNc2ccc(C(=O)N3CCC(C)CC3)cc2)cc([N+](=O)[O-])c1[O-] ZINC000195141850 886466984 /nfs/dbraw/zinc/46/69/84/886466984.db2.gz OLUUGNBGHQUAHN-UHFFFAOYSA-N -1 0 399.447 3.793 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(Br)c(F)c1 ZINC000316739822 887351158 /nfs/dbraw/zinc/35/11/58/887351158.db2.gz KNXJISSHSUGZFT-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N(CCc1ccccc1)Cc1ccncc1 ZINC000475906837 887370097 /nfs/dbraw/zinc/37/00/97/887370097.db2.gz RKYLUBRGVJHZSU-UHFFFAOYSA-N -1 0 377.400 3.581 20 5 GHBDRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)C2 ZINC000864210870 887628636 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0 388.426 3.540 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1 ZINC000121144522 888964734 /nfs/dbraw/zinc/96/47/34/888964734.db2.gz ZHXYHVXAJYFNGC-UHFFFAOYSA-N -1 0 395.746 3.771 20 5 GHBDRM O=C(c1cccc(Br)c1[O-])N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000533006658 889508790 /nfs/dbraw/zinc/50/87/90/889508790.db2.gz DYDUNFPKKHYLRI-UHFFFAOYSA-N -1 0 391.221 3.868 20 5 GHBDRM Cc1nc(-c2cccc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2)oc1C ZINC000237824416 891239661 /nfs/dbraw/zinc/23/96/61/891239661.db2.gz GQDAVNHWNPYSJL-UHFFFAOYSA-N -1 0 381.344 3.817 20 5 GHBDRM O=C([O-])[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000455788842 893282693 /nfs/dbraw/zinc/28/26/93/893282693.db2.gz OMXIPYKRDPAJCN-CYBMUJFWSA-N -1 0 386.429 3.683 20 5 GHBDRM O=C([O-])[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000455788843 893283090 /nfs/dbraw/zinc/28/30/90/893283090.db2.gz OMXIPYKRDPAJCN-ZDUSSCGKSA-N -1 0 386.429 3.683 20 5 GHBDRM Cc1cc(C(=O)N[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000537366129 894837552 /nfs/dbraw/zinc/83/75/52/894837552.db2.gz LEAKUWGJGBUJOE-AWEZNQCLSA-N -1 0 397.214 3.636 20 5 GHBDRM O=[N+]([O-])c1cccc(CN=c2[n-]nc(SCc3ccc(F)cc3)s2)c1 ZINC000564811535 895261798 /nfs/dbraw/zinc/26/17/98/895261798.db2.gz IIPALDFVNQEZEI-UHFFFAOYSA-N -1 0 376.438 3.912 20 5 GHBDRM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)o1 ZINC001185616392 913993044 /nfs/dbraw/zinc/99/30/44/913993044.db2.gz ZHKWPIKPTKVDMD-KCJUWKMLSA-N -1 0 388.804 3.582 20 5 GHBDRM C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@H]1C(=O)[O-] ZINC000566235114 896193932 /nfs/dbraw/zinc/19/39/32/896193932.db2.gz QLKIKDGMQDOEHN-CXAGYDPISA-N -1 0 384.388 3.570 20 5 GHBDRM CCOc1cccc(N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c1[N+](=O)[O-] ZINC000566298248 896225088 /nfs/dbraw/zinc/22/50/88/896225088.db2.gz XZHZPFAYVWBOKF-UHFFFAOYSA-N -1 0 381.388 3.736 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)cc([N+](=O)[O-])c1F ZINC000778567887 896828190 /nfs/dbraw/zinc/82/81/90/896828190.db2.gz SNXGRKSBPCPGTA-UHFFFAOYSA-N -1 0 376.365 3.702 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000130382262 897069949 /nfs/dbraw/zinc/06/99/49/897069949.db2.gz UINJDUCKNQGZJL-UHFFFAOYSA-N -1 0 385.785 3.574 20 5 GHBDRM CCc1ccc(S(=O)(=O)[N-]c2nn(C3CCCCC3)cc2C)cc1[N+](=O)[O-] ZINC000567352742 897085625 /nfs/dbraw/zinc/08/56/25/897085625.db2.gz NFTGSKQNSXVEIU-UHFFFAOYSA-N -1 0 392.481 3.968 20 5 GHBDRM CCCCOc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1OC ZINC001136289687 897101463 /nfs/dbraw/zinc/10/14/63/897101463.db2.gz NIJFYXWQRNRTLW-ZDUSSCGKSA-N -1 0 388.420 3.979 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(N3CCCCC3)c(F)c2)cc1 ZINC000778670425 898175088 /nfs/dbraw/zinc/17/50/88/898175088.db2.gz NTWPEOJBFLUORV-UHFFFAOYSA-N -1 0 397.403 3.664 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000772860783 898508068 /nfs/dbraw/zinc/50/80/68/898508068.db2.gz GRIZCCYAZJXKNZ-UHFFFAOYSA-N -1 0 399.837 3.667 20 5 GHBDRM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc(Cl)c2ccccc2c1[O-] ZINC001136668749 898839662 /nfs/dbraw/zinc/83/96/62/898839662.db2.gz AFXMWYRIGZQBCK-UHFFFAOYSA-N -1 0 386.791 3.916 20 5 GHBDRM CN(C)C(=O)C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])c2ccc(Cl)cc21 ZINC000570829872 899623327 /nfs/dbraw/zinc/62/33/27/899623327.db2.gz RIYDVLGUEUCPBA-GFCCVEGCSA-N -1 0 389.839 3.536 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(SC(F)F)nc1 ZINC000135247355 900209240 /nfs/dbraw/zinc/20/92/40/900209240.db2.gz BPYPPYATBHTSRM-UHFFFAOYSA-N -1 0 395.796 3.759 20 5 GHBDRM C[C@H](NC(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000572557872 900219477 /nfs/dbraw/zinc/21/94/77/900219477.db2.gz KSBCQDNFFRPPKV-FDQGKXFDSA-N -1 0 389.452 3.721 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC(Cc2ccccc2)(c2ccccc2)C1 ZINC001299341489 900426502 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396.230 3.570 20 5 GHBDRM C[C@@H](Oc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000577892316 903314084 /nfs/dbraw/zinc/31/40/84/903314084.db2.gz MJANXXHGHBXNKP-SNVBAGLBSA-N -1 0 390.339 3.725 20 5 GHBDRM CC[C@@H]1CCCCCN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001147325724 903758349 /nfs/dbraw/zinc/75/83/49/903758349.db2.gz HDZFFFBBAKJXQX-CYBMUJFWSA-N -1 0 392.843 3.934 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000578452475 903856692 /nfs/dbraw/zinc/85/66/92/903856692.db2.gz KYVVGDUMAAKRMI-CQSZACIVSA-N -1 0 395.419 3.601 20 5 GHBDRM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000773378468 906456375 /nfs/dbraw/zinc/45/63/75/906456375.db2.gz HAHRXVBTFAMZNN-UHFFFAOYSA-N -1 0 392.433 3.579 20 5 GHBDRM COc1cccc(C(=O)C(F)(F)F)c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174505684 907081053 /nfs/dbraw/zinc/08/10/53/907081053.db2.gz INTCDBMGXNBCHC-UHFFFAOYSA-N -1 0 384.266 3.790 20 5 GHBDRM CCOC(=O)C(C)(C)Oc1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001174505801 907081153 /nfs/dbraw/zinc/08/11/53/907081153.db2.gz OBMDLAFHKPQQSX-UHFFFAOYSA-N -1 0 388.376 3.757 20 5 GHBDRM Cc1ccc(C(=O)NCc2ccco2)cc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174505292 907081203 /nfs/dbraw/zinc/08/12/03/907081203.db2.gz UBWYEVRRBURDCR-UHFFFAOYSA-N -1 0 395.371 3.868 20 5 GHBDRM O=C([O-])c1ccc(Nc2c(F)cccc2OC2CCOCC2)cc1[N+](=O)[O-] ZINC001174505946 907081359 /nfs/dbraw/zinc/08/13/59/907081359.db2.gz VTJMMYSGPMXDFX-UHFFFAOYSA-N -1 0 376.340 3.734 20 5 GHBDRM CC(=O)c1ccc2nc([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])sc2c1 ZINC000775091419 915042531 /nfs/dbraw/zinc/04/25/31/915042531.db2.gz ZMYOCCWPSFGAEI-UHFFFAOYSA-N -1 0 391.430 3.516 20 5 GHBDRM C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001137307331 924447684 /nfs/dbraw/zinc/44/76/84/924447684.db2.gz YDUNYGWYUPBJCD-VIFPVBQESA-N -1 0 397.200 3.563 20 5 GHBDRM CCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OCC)c(C)c1 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CSc1ccc(-c2nc(COc3cccc(C(=O)[O-])c3)no2)cc1[N+](=O)[O-] ZINC000832774561 601364521 /nfs/dbraw/zinc/36/45/21/601364521.db2.gz PMFLNCVQDXFIIR-UHFFFAOYSA-N -1 0 387.373 3.644 20 5 GHBDRM CC[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1F ZINC000828999136 601378266 /nfs/dbraw/zinc/37/82/66/601378266.db2.gz RNPUNKPWYLKYDJ-JAXYUTGZSA-N -1 0 392.358 3.895 20 5 GHBDRM C/C(=C\COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1)C(=O)[O-] ZINC000825775545 601408073 /nfs/dbraw/zinc/40/80/73/601408073.db2.gz UWVIFHSGZVHBPL-WEVVVXLNSA-N -1 0 394.430 3.699 20 5 GHBDRM Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)ccc1C(=O)[O-] ZINC000767155329 601631788 /nfs/dbraw/zinc/63/17/88/601631788.db2.gz AIWFZPCWQWMKEA-UHFFFAOYSA-N -1 0 397.156 3.755 20 5 GHBDRM O=C([O-])C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000776674742 601682173 /nfs/dbraw/zinc/68/21/73/601682173.db2.gz LVQQQWGGVUTWSW-INIZCTEOSA-N -1 0 376.796 3.513 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] 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Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cnn(-c2ccc(Cl)cc2)c1 ZINC000479576048 847739161 /nfs/dbraw/zinc/73/91/61/847739161.db2.gz HQJINXRKEWKVIZ-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000430067636 847906831 /nfs/dbraw/zinc/90/68/31/847906831.db2.gz CVSLMJVDTSHMQG-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM O=C(c1ccccc1)c1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000158729716 848013185 /nfs/dbraw/zinc/01/31/85/848013185.db2.gz UPCSKUWSKVQPQW-UHFFFAOYSA-N -1 0 382.397 3.627 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)nc1 ZINC000511181422 848040979 /nfs/dbraw/zinc/04/09/79/848040979.db2.gz FWNFJSGBKAGTBW-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2n[nH]c3c2cccc3Cl)c1C ZINC000434974447 849962681 /nfs/dbraw/zinc/96/26/81/849962681.db2.gz ZKYZFROWTHPZHG-UHFFFAOYSA-N -1 0 380.813 3.542 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2noc(=NCc3ccc(Oc4ccccc4)nc3)[n-]2)cc1 ZINC000486940208 850262622 /nfs/dbraw/zinc/26/26/22/850262622.db2.gz JUOSYBXIUZNIQX-UHFFFAOYSA-N -1 0 389.371 3.866 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2noc(=NCc3csc(Br)c3)[n-]2)cc1 ZINC000486936651 850279699 /nfs/dbraw/zinc/27/96/99/850279699.db2.gz MOZCWCQVOOZVFG-UHFFFAOYSA-N -1 0 381.211 3.503 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)cc1[N+](=O)[O-] ZINC000514959104 850536530 /nfs/dbraw/zinc/53/65/30/850536530.db2.gz RBESJIXMMSHOQH-UHFFFAOYSA-N -1 0 381.392 3.635 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)cc1[N+](=O)[O-] ZINC000515181615 850762792 /nfs/dbraw/zinc/76/27/92/850762792.db2.gz NRDCGQWHONYQML-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM CC(C)c1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000515445698 851026247 /nfs/dbraw/zinc/02/62/47/851026247.db2.gz UARRVJGWSLNMPB-UHFFFAOYSA-N -1 0 386.433 3.705 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)c(Cl)c1 ZINC000515633631 851277861 /nfs/dbraw/zinc/27/78/61/851277861.db2.gz 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ZINC000055632939 854046440 /nfs/dbraw/zinc/04/64/40/854046440.db2.gz NBTQECNEBNWBSJ-UHFFFAOYSA-N -1 0 392.433 3.726 20 5 GHBDRM COc1cc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000572124443 854403402 /nfs/dbraw/zinc/40/34/02/854403402.db2.gz WVWRJDUPYRPBKB-UHFFFAOYSA-N -1 0 387.392 3.630 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2c(C)cccc2OC(F)F)cc1C ZINC000481977195 862569072 /nfs/dbraw/zinc/56/90/72/862569072.db2.gz CKEFROHXHUOZGB-UHFFFAOYSA-N -1 0 386.376 3.922 20 5 GHBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1cccc(OCc2ccccn2)c1 ZINC000443969565 862600995 /nfs/dbraw/zinc/60/09/95/862600995.db2.gz PXQPGKYWIGPZSO-CQSZACIVSA-N -1 0 393.399 3.765 20 5 GHBDRM Cc1cc(N2CCC3(CC2)OCCc2ccsc23)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572725244 854951416 /nfs/dbraw/zinc/95/14/16/854951416.db2.gz DPCAQCVGKJVZJD-UHFFFAOYSA-N -1 0 388.445 3.731 20 5 GHBDRM CCCCOc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000057120853 855224097 /nfs/dbraw/zinc/22/40/97/855224097.db2.gz 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ZINC000521103133 857603711 /nfs/dbraw/zinc/60/37/11/857603711.db2.gz YYPDGXFDSXINRP-UHFFFAOYSA-N -1 0 384.841 3.983 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c2ncccc12 ZINC000184872720 857703932 /nfs/dbraw/zinc/70/39/32/857703932.db2.gz COOBODMXCKWXHV-UHFFFAOYSA-N -1 0 396.384 3.599 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000486697616 858004230 /nfs/dbraw/zinc/00/42/30/858004230.db2.gz DVVVNUHGDKARJA-QMMMGPOBSA-N -1 0 389.207 3.758 20 5 GHBDRM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2O1 ZINC000442833805 858172039 /nfs/dbraw/zinc/17/20/39/858172039.db2.gz ILEIIXGJJWGQSK-INIZCTEOSA-N -1 0 398.824 3.946 20 5 GHBDRM O=C([O-])CCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000594697253 858271076 /nfs/dbraw/zinc/27/10/76/858271076.db2.gz PLNCHGKPMLOESM-UHFFFAOYSA-N -1 0 389.330 3.722 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000521772579 858299189 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DETMMYJYYLCUOF-UHFFFAOYSA-N -1 0 377.462 3.958 20 5 GHBDRM O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000611526184 859795253 /nfs/dbraw/zinc/79/52/53/859795253.db2.gz BGFROCYNWRNBFK-QGZVFWFLSA-N -1 0 397.431 3.676 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1C(C)C ZINC000484267115 859916491 /nfs/dbraw/zinc/91/64/91/859916491.db2.gz VBWJBONLXXARHV-UHFFFAOYSA-N -1 0 380.422 3.536 20 5 GHBDRM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2ccccc21 ZINC000598203749 860149539 /nfs/dbraw/zinc/14/95/39/860149539.db2.gz GKOVRZXZYJJQMY-KRWDZBQOSA-N -1 0 398.415 3.776 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000593580850 860449537 /nfs/dbraw/zinc/44/95/37/860449537.db2.gz MTLMBIJPKFMACJ-DTWKUNHWSA-N -1 0 382.722 3.640 20 5 GHBDRM C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ncc(C(=O)[O-])s1 ZINC000598662002 860478876 /nfs/dbraw/zinc/47/88/76/860478876.db2.gz LSHWIPMJDHJWHB-VIFPVBQESA-N -1 0 377.422 3.538 20 5 GHBDRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000237611174 881586388 /nfs/dbraw/zinc/58/63/88/881586388.db2.gz QOPRDVRCMXVCTG-CQSZACIVSA-N -1 0 380.759 3.642 20 5 GHBDRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCc2ccc(Cl)cc21 ZINC000593702630 860929228 /nfs/dbraw/zinc/92/92/28/860929228.db2.gz WDJRWCLCSOOIEW-LLVKDONJSA-N -1 0 388.807 3.748 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nccc3sccc32)c2ncccc12 ZINC000185698036 860997580 /nfs/dbraw/zinc/99/75/80/860997580.db2.gz PHIFKXDJMLLXKD-UHFFFAOYSA-N -1 0 386.414 3.554 20 5 GHBDRM COc1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1OC ZINC000593733481 861082730 /nfs/dbraw/zinc/08/27/30/861082730.db2.gz UUVWKRYOEKCIMT-INIZCTEOSA-N -1 0 386.404 3.647 20 5 GHBDRM CSc1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC000509220675 863079237 /nfs/dbraw/zinc/07/92/37/863079237.db2.gz YJXFDVJQSRMQMO-UHFFFAOYSA-N -1 0 375.431 3.666 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000542633060 863881347 /nfs/dbraw/zinc/88/13/47/863881347.db2.gz XNIBYFNUNQJKMG-ZDUSSCGKSA-N -1 0 383.429 3.930 20 5 GHBDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C(C)C ZINC000480203969 864258420 /nfs/dbraw/zinc/25/84/20/864258420.db2.gz WWNBUVPKVLIAFO-UHFFFAOYSA-N -1 0 380.470 3.824 20 5 GHBDRM O=C(NCCc1ccc(Br)cc1Cl)c1cccc([O-])c1[N+](=O)[O-] ZINC000554679009 864723018 /nfs/dbraw/zinc/72/30/18/864723018.db2.gz ICCNSETWWABNTI-UHFFFAOYSA-N -1 0 399.628 3.689 20 5 GHBDRM Cc1ccc([C@@H](N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)c2ccccn2)cc1 ZINC000480576632 864898979 /nfs/dbraw/zinc/89/89/79/864898979.db2.gz FALSZZZGUWATTP-LJQANCHMSA-N -1 0 387.399 3.972 20 5 GHBDRM C[C@H](OC(=O)c1c(F)cc([O-])cc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000735950933 865069947 /nfs/dbraw/zinc/06/99/47/865069947.db2.gz QYIFXDHMNZPBHE-QMMMGPOBSA-N -1 0 391.286 3.547 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)nc1 ZINC000608874767 865776397 /nfs/dbraw/zinc/77/63/97/865776397.db2.gz CLLIJJPTTJVPOA-UHFFFAOYSA-N -1 0 397.840 3.765 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1OCC(F)F ZINC000608852693 865793491 /nfs/dbraw/zinc/79/34/91/865793491.db2.gz YNQVLXUZCAJFJK-UHFFFAOYSA-N -1 0 386.376 3.656 20 5 GHBDRM Cc1cc2sc([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])nc2c(C)c1 ZINC000608926779 865830170 /nfs/dbraw/zinc/83/01/70/865830170.db2.gz YFYHFBOHLFVKHY-UHFFFAOYSA-N -1 0 377.447 3.931 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000608926533 865830932 /nfs/dbraw/zinc/83/09/32/865830932.db2.gz PFHTWZVIKKGBHK-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM Cc1ccc(C)c2sc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)nc21 ZINC000608929303 865835470 /nfs/dbraw/zinc/83/54/70/865835470.db2.gz VHCSKWHNHZRQFP-UHFFFAOYSA-N -1 0 377.447 3.931 20 5 GHBDRM Cc1cc(Br)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)s1 ZINC000534207848 866274850 /nfs/dbraw/zinc/27/48/50/866274850.db2.gz 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O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000456820555 867186670 /nfs/dbraw/zinc/18/66/70/867186670.db2.gz ISSBVWXAIAHYTF-UHFFFAOYSA-N -1 0 376.359 3.674 20 5 GHBDRM Cn1cc(-c2nc3ccc([N+](=O)[O-])cc3c(-c3ccccc3)c2CC(=O)[O-])cn1 ZINC000479179714 867293668 /nfs/dbraw/zinc/29/36/68/867293668.db2.gz BBELVXFFZCKNMN-UHFFFAOYSA-N -1 0 388.383 3.838 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(-c3cc(Cl)c4c(c3)OCCCO4)no2)cc1[O-] ZINC000445181899 867903622 /nfs/dbraw/zinc/90/36/22/867903622.db2.gz DUUONBUUZYPMSU-UHFFFAOYSA-N -1 0 389.751 3.832 20 5 GHBDRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000553686237 867936965 /nfs/dbraw/zinc/93/69/65/867936965.db2.gz CZZFDBRMEQNVPX-UHFFFAOYSA-N -1 0 376.731 3.531 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(Br)s3)no2)cc1[O-] ZINC000445204546 867950282 /nfs/dbraw/zinc/95/02/82/867950282.db2.gz BDFZVPKRTORLFA-UHFFFAOYSA-N -1 0 382.195 3.765 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 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ZINC000783682861 931617003 /nfs/dbraw/zinc/61/70/03/931617003.db2.gz FJDXNRIMQHAVGU-RIYZIHGNSA-N -1 0 386.747 3.599 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)cnn1CC(C)C ZINC000783841304 931686918 /nfs/dbraw/zinc/68/69/18/931686918.db2.gz JOUIZUOTOPJLAL-UHFFFAOYSA-N -1 0 386.861 3.518 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](C1CCCCC1)C(F)(F)F ZINC000784356245 931867153 /nfs/dbraw/zinc/86/71/53/931867153.db2.gz ZQVSOVHXRLXYRE-CYBMUJFWSA-N -1 0 384.351 3.523 20 5 GHBDRM C[C@@H]1Cc2ccccc2N1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798278449 932590916 /nfs/dbraw/zinc/59/09/16/932590916.db2.gz RXSVPAQRNIJNFY-LLVKDONJSA-N -1 0 398.806 3.731 20 5 GHBDRM Cc1ccc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(=O)[O-])cc1C ZINC000559413107 932659983 /nfs/dbraw/zinc/65/99/83/932659983.db2.gz GJGRAABVBDQERM-OAHLLOKOSA-N -1 0 377.784 3.812 20 5 GHBDRM CCCc1ccc(S(=O)(=O)[N-]c2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000559757834 932840898 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PEARSLJNHVDUOW-AUUYWEPGSA-N -1 0 398.415 3.642 20 5 GHBDRM C[C@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C(=O)[O-] ZINC001594239978 959526424 /nfs/dbraw/zinc/52/64/24/959526424.db2.gz WIXKEYCAPAAOQK-VIFPVBQESA-N -1 0 380.809 3.602 20 5 GHBDRM O=C([O-])c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC001605800202 972511072 /nfs/dbraw/zinc/51/10/72/972511072.db2.gz AXLRNBBOQYCKEM-UHFFFAOYSA-N -1 0 383.282 3.634 20 5 GHBDRM O=C([O-])[C@H]1C[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC001574524977 961873136 /nfs/dbraw/zinc/87/31/36/961873136.db2.gz ALXDENJEIANJOW-DOTOQJQBSA-N -1 0 388.807 3.610 20 5 GHBDRM O=C([O-])[C@@H]1CCCN(c2ccc(CN(Cc3cccc([N+](=O)[O-])c3)C3CC3)o2)C1 ZINC001574652290 962449398 /nfs/dbraw/zinc/44/93/98/962449398.db2.gz WEWCUNNOZSQLRB-MRXNPFEDSA-N -1 0 399.447 3.653 20 5 GHBDRM O=C([O-])/C=C\c1cc(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])co1 ZINC001606063847 973194129 /nfs/dbraw/zinc/19/41/29/973194129.db2.gz DWNOZDZZLYPNTQ-QULHZPMSSA-N -1 0 394.339 3.627 20 5 GHBDRM O=C([O-])/C=C/c1cc(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])co1 ZINC001606063851 973194706 /nfs/dbraw/zinc/19/47/06/973194706.db2.gz DWNOZDZZLYPNTQ-UCFODXPJSA-N -1 0 394.339 3.627 20 5 GHBDRM C[C@@H](CCCNC(=O)OC(C)(C)C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001592487938 978279086 /nfs/dbraw/zinc/27/90/86/978279086.db2.gz XBDJWBKWCOOOIM-KJJQSCHISA-N -1 0 393.440 3.798 20 5 GHBDRM C[C@@H](CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001592681624 979100975 /nfs/dbraw/zinc/10/09/75/979100975.db2.gz DMMSWVBMCZSJBI-JTQLQIEISA-N -1 0 377.784 3.872 20 5 GHBDRM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595028208 979150027 /nfs/dbraw/zinc/15/00/27/979150027.db2.gz HODZYUKODPWHTM-LLVKDONJSA-N -1 0 398.375 3.536 20 5 GHBDRM C[C@@H](CSc1ccc(F)cc1)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001592830410 979554858 /nfs/dbraw/zinc/55/48/58/979554858.db2.gz ROVOODSWXJZJLH-JTQLQIEISA-N -1 0 379.365 3.766 20 5 GHBDRM CC(F)(F)c1cc(F)ccc1NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001592943141 980012954 /nfs/dbraw/zinc/01/29/54/980012954.db2.gz CHRCOQWUPUBRLX-UHFFFAOYSA-N -1 0 384.310 3.921 20 5 GHBDRM C[C@](NC(=O)Cc1ccccc1[N+](=O)[O-])(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593042761 980327870 /nfs/dbraw/zinc/32/78/70/980327870.db2.gz CRYLVQHHWDPLQK-QGZVFWFLSA-N -1 0 397.214 3.560 20 5 GHBDRM CC[C@@H]1c2ccsc2CCN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001595505077 981280907 /nfs/dbraw/zinc/28/09/07/981280907.db2.gz WATNCFZHZLLHQU-CQSZACIVSA-N -1 0 376.434 3.629 20 5 GHBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001595792836 982594299 /nfs/dbraw/zinc/59/42/99/982594299.db2.gz ZQDBZVIBOPSAJP-UHFFFAOYSA-N -1 0 375.406 3.833 20 5 GHBDRM C[C@H](C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC001589437339 986754706 /nfs/dbraw/zinc/75/47/06/986754706.db2.gz BPCGYQNBFBAPBE-ZDUSSCGKSA-N -1 0 394.383 3.954 20 5 GHBDRM CC(C)(C(=O)Nc1cc(C(=O)[O-])cc2cccnc21)c1ccc([N+](=O)[O-])cc1F ZINC001589581031 987361718 /nfs/dbraw/zinc/36/17/18/987361718.db2.gz WRGFVBTXXLBHPB-UHFFFAOYSA-N -1 0 397.362 3.897 20 5 GHBDRM CC[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC1 ZINC001597355050 987500702 /nfs/dbraw/zinc/50/07/02/987500702.db2.gz ZNWFLNOXKAINOY-JOCQHMNTSA-N -1 0 380.466 3.860 20 5 GHBDRM CSc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc1[N+](=O)[O-] ZINC001599810071 988319080 /nfs/dbraw/zinc/31/90/80/988319080.db2.gz CTMNQZPPJZXXFW-UHFFFAOYSA-N -1 0 379.419 3.601 20 5 GHBDRM CSc1cccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)c1[N+](=O)[O-] ZINC001599821880 988529079 /nfs/dbraw/zinc/52/90/79/988529079.db2.gz LETIVVDJMBAHRG-AWEZNQCLSA-N -1 0 381.793 3.953 20 5 GHBDRM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)c1 ZINC001599822910 988545265 /nfs/dbraw/zinc/54/52/65/988545265.db2.gz OGVDMZXHWHQDLJ-UHFFFAOYSA-N -1 0 383.385 3.815 20 5 GHBDRM CC(C)(NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cccc(Cl)c1F ZINC001590858849 990749568 /nfs/dbraw/zinc/74/95/68/990749568.db2.gz RVYFESUVHOERLE-UHFFFAOYSA-N -1 0 380.759 3.751 20 5 GHBDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001598300658 991246092 /nfs/dbraw/zinc/24/60/92/991246092.db2.gz VPNRXMVOQCVFFE-UHFFFAOYSA-N -1 0 385.401 3.826 20 5 GHBDRM CN(C)c1cc(F)c(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001598305516 991260062 /nfs/dbraw/zinc/26/00/62/991260062.db2.gz JDPZQYDZXPQECR-UHFFFAOYSA-N -1 0 397.362 3.904 20 5 GHBDRM CN(C)c1ccc(OC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1C(=O)[O-] ZINC001598328018 991346905 /nfs/dbraw/zinc/34/69/05/991346905.db2.gz BEBUWSPSHRQWSE-UHFFFAOYSA-N -1 0 386.385 3.793 20 5 GHBDRM CN(Cc1cscn1)c1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001598537179 992854800 /nfs/dbraw/zinc/85/48/00/992854800.db2.gz WPOQIOZWCGWHJZ-UHFFFAOYSA-N -1 0 397.412 3.617 20 5 GHBDRM C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593155243 993965559 /nfs/dbraw/zinc/96/55/59/993965559.db2.gz KDSKWUQVUFSJBT-MLGOLLRUSA-N -1 0 398.440 3.871 20 5 GHBDRM C[C@@](NC(=O)c1cnc(Cl)c2ccccc12)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593185129 994094876 /nfs/dbraw/zinc/09/48/76/994094876.db2.gz QZXDANLOCYWJEV-IBGZPJMESA-N -1 0 399.790 3.526 20 5 GHBDRM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC001593194365 994134452 /nfs/dbraw/zinc/13/44/52/994134452.db2.gz FZOGEFPBIMSPEG-BMIGLBTASA-N -1 0 379.210 3.834 20 5 GHBDRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC001599650407 994490038 /nfs/dbraw/zinc/49/00/38/994490038.db2.gz WBGZULBRWBHWOQ-QGFLDLQWSA-N -1 0 398.415 3.513 20 5 GHBDRM COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)OC)c1 ZINC001599657123 994599239 /nfs/dbraw/zinc/59/92/39/994599239.db2.gz HVNHSTKNUHSGNR-CQSZACIVSA-N -1 0 380.784 3.755 20 5 GHBDRM C[C@@](NCc1cc(Br)c([N+](=O)[O-])s1)(C(=O)[O-])c1ccccc1 ZINC001593289402 994663966 /nfs/dbraw/zinc/66/39/66/994663966.db2.gz SCEDBFFSCUFTSY-AWEZNQCLSA-N -1 0 385.239 3.508 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001593667303 996057325 /nfs/dbraw/zinc/05/73/25/996057325.db2.gz MWZHFDKHGSFXGF-GFCCVEGCSA-N -1 0 386.429 3.753 20 5 GHBDRM COCc1cc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1 ZINC001599285223 996964905 /nfs/dbraw/zinc/96/49/05/996964905.db2.gz DRPCIKQWNAANJJ-GFCCVEGCSA-N -1 0 387.392 3.631 20 5 GHBDRM CC1(C)Cc2ccc(Cl)c(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2O1 ZINC001593964337 997094628 /nfs/dbraw/zinc/09/46/28/997094628.db2.gz ADALJTYRQJPLMU-UHFFFAOYSA-N -1 0 390.779 3.912 20 5 GHBDRM COc1cc(/C=C/C(=O)[O-])ccc1OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001599399410 997187778 /nfs/dbraw/zinc/18/77/78/997187778.db2.gz LFNVHPVJYPKHJZ-YCRREMRBSA-N -1 0 396.355 3.935 20 5 GHBDRM C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001594041154 997655371 /nfs/dbraw/zinc/65/53/71/997655371.db2.gz APVOCUHACTUUHW-FQEVSTJZSA-N -1 0 386.379 3.670 20 5 GHBDRM COc1ccc([C@@H]2CCN(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3C)C2)cc1 ZINC001599538301 997785193 /nfs/dbraw/zinc/78/51/93/997785193.db2.gz GWFKJIQMVAYUCP-CQSZACIVSA-N -1 0 399.403 3.631 20 5 GHBDRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001599546618 997933524 /nfs/dbraw/zinc/93/35/24/997933524.db2.gz YOKXJACUIIFXGO-VURMDHGXSA-N -1 0 377.736 3.574 20 5 GHBDRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001599547413 997946814 /nfs/dbraw/zinc/94/68/14/997946814.db2.gz VAMWZEMEOCJPMA-GQCTYLIASA-N -1 0 391.763 3.882 20 5 GHBDRM COc1cc(C(=O)Nc2nc(-c3ccc(C(=O)[O-])cc3)cs2)ccc1[N+](=O)[O-] ZINC001599356515 998188200 /nfs/dbraw/zinc/18/82/00/998188200.db2.gz PYQJISSDCVUGTJ-UHFFFAOYSA-N -1 0 399.384 3.677 20 5 GHBDRM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001598956014 998241861 /nfs/dbraw/zinc/24/18/61/998241861.db2.gz YTQNVSVTVHDLNB-NSHDSACASA-N -1 0 384.816 3.728 20 5 GHBDRM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC001599570991 998365487 /nfs/dbraw/zinc/36/54/87/998365487.db2.gz GMOMROWJVHAXKG-OAHLLOKOSA-N -1 0 385.203 3.826 20 5 GHBDRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001599374364 998462885 /nfs/dbraw/zinc/46/28/85/998462885.db2.gz OHMILTBVRMQDLI-UHFFFAOYSA-N -1 0 399.403 3.544 20 5 GHBDRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001594299231 999154898 /nfs/dbraw/zinc/15/48/98/999154898.db2.gz VHDGSQUYHJZJBA-OAUYIBNBSA-N -1 0 378.425 3.709 20 5 GHBDRM C[C@@H]1CC[C@@](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)(C(=O)[O-])c2ccccc21 ZINC001594312481 999199334 /nfs/dbraw/zinc/19/93/34/999199334.db2.gz BUASGFGIPKXJLI-GTJPDFRWSA-N -1 0 393.399 3.683 20 5 GHBDRM CSc1nc(O[C@H]2CCc3cc(C(F)(F)F)ccc32)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227627657 1032491132 /nfs/dbraw/zinc/49/11/32/1032491132.db2.gz HWMWOYUPIXEROX-JTQLQIEISA-N -1 0 387.339 3.897 20 5 GHBDRM O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@H](c2ccccc2)C2CCOCC2)[n-]1 ZINC001228241467 1032859645 /nfs/dbraw/zinc/85/96/45/1032859645.db2.gz CEYMHSWOQAFIEL-GOSISDBHSA-N -1 0 381.388 3.790 20 5 GHBDRM O=C([O-])c1cnc(C2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)s1 ZINC000600678813 1020209391 /nfs/dbraw/zinc/20/93/91/1020209391.db2.gz VPXXGGJWUZWODK-UHFFFAOYSA-N -1 0 384.417 3.682 20 5 GHBDRM Cc1c(C(=O)[O-])cnn1C1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000578992913 1020378321 /nfs/dbraw/zinc/37/83/21/1020378321.db2.gz QQXJCQVMAVQUGO-UHFFFAOYSA-N -1 0 398.341 3.658 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2nc3c(cccc3Cl)s2)ccc1[N+](=O)[O-] ZINC000191846871 1020821838 /nfs/dbraw/zinc/82/18/38/1020821838.db2.gz JASUABMKGIUTSD-UHFFFAOYSA-N -1 0 399.837 3.667 20 5 GHBDRM CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000303415054 1021139203 /nfs/dbraw/zinc/13/92/03/1021139203.db2.gz VXZZLESOXKWPRP-UHFFFAOYSA-N -1 0 390.248 3.768 20 5 GHBDRM C[C@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])c1ncc(C(F)(F)F)cc1F ZINC001228610004 1033005541 /nfs/dbraw/zinc/00/55/41/1033005541.db2.gz LNLPPYQJOFIFEZ-LURJTMIESA-N -1 0 388.277 3.661 20 5 GHBDRM O=C(N[C@@H]1CCOc2c(Cl)c(Cl)ccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000754479033 1022728349 /nfs/dbraw/zinc/72/83/49/1022728349.db2.gz IUYCTRSFUUFUHA-LLVKDONJSA-N -1 0 383.187 3.861 20 5 GHBDRM O=C(N[C@H]1CCOc2c(Cl)c(Cl)ccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000754479036 1022728626 /nfs/dbraw/zinc/72/86/26/1022728626.db2.gz IUYCTRSFUUFUHA-NSHDSACASA-N -1 0 383.187 3.861 20 5 GHBDRM CCc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cnn1CCC(C)C ZINC000755032954 1023033419 /nfs/dbraw/zinc/03/34/19/1023033419.db2.gz XUKBUVLLJMQVSU-UHFFFAOYSA-N -1 0 398.460 3.648 20 5 GHBDRM O=c1cc(C(F)(F)F)[n-]c(O[C@H]2C[C@@H](OCc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228859079 1033140975 /nfs/dbraw/zinc/14/09/75/1033140975.db2.gz IKYSEGABIZUCAL-TXEJJXNPSA-N -1 0 384.310 3.841 20 5 GHBDRM O=C(NCc1cc(Cl)cc(Br)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001142320076 1028685517 /nfs/dbraw/zinc/68/55/17/1028685517.db2.gz KQJVJFXBNYYLOD-UHFFFAOYSA-N -1 0 385.601 3.646 20 5 GHBDRM O=[N+]([O-])c1cc(F)cc(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)c1 ZINC001216483724 1029658088 /nfs/dbraw/zinc/65/80/88/1029658088.db2.gz JPKSOHJIQPTORW-UHFFFAOYSA-N -1 0 378.337 3.583 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1-c1nc(-c2ccnc(OCc3ccccc3)c2)no1 ZINC001216682418 1029728754 /nfs/dbraw/zinc/72/87/54/1029728754.db2.gz PKUCTYFRZIBAPZ-UHFFFAOYSA-N -1 0 390.355 3.991 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2nc(-c3ccc(Br)cc3F)no2)c1[O-] ZINC001216700801 1029734614 /nfs/dbraw/zinc/73/46/14/1029734614.db2.gz NQJLVDALMDBMGW-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM O=[N+]([O-])c1cc(-c2nc(-c3cc(Cl)c(F)cc3F)no2)c([O-])c([N+](=O)[O-])c1 ZINC001216711698 1029900655 /nfs/dbraw/zinc/90/06/55/1029900655.db2.gz IXKGFDMOOIGEQS-UHFFFAOYSA-N -1 0 398.665 3.857 20 5 GHBDRM O=[N+]([O-])c1cc(-c2nc(-c3cc(F)ccc3Cl)no2)c([O-])c([N+](=O)[O-])c1 ZINC001216711928 1029900670 /nfs/dbraw/zinc/90/06/70/1029900670.db2.gz UDYBGPBNMGKSGG-UHFFFAOYSA-N -1 0 380.675 3.718 20 5 GHBDRM O=[N+]([O-])c1cc([O-])ccc1-c1nc(-c2ncccc2OCc2ccccc2)no1 ZINC001216894826 1029985011 /nfs/dbraw/zinc/98/50/11/1029985011.db2.gz XDZAUNOPFWEXEG-UHFFFAOYSA-N -1 0 390.355 3.991 20 5 GHBDRM O=C([O-])c1ccc2cc(-c3nc(-c4ncc(F)cc4[N+](=O)[O-])no3)ccc2c1 ZINC001217242936 1030252845 /nfs/dbraw/zinc/25/28/45/1030252845.db2.gz FUJIUCOSXKXYBT-UHFFFAOYSA-N -1 0 380.291 3.697 20 5 GHBDRM O=c1c(-c2nc(-c3ccc(F)c(Cl)c3)no2)c[n-]c2ccc([N+](=O)[O-])cc12 ZINC001217438286 1030392029 /nfs/dbraw/zinc/39/20/29/1030392029.db2.gz IPLCAJQCCGAWJM-UHFFFAOYSA-N -1 0 386.726 3.946 20 5 GHBDRM O=c1c(-c2nc(-c3ccc4cnccc4c3)no2)c[n-]c2ccc([N+](=O)[O-])cc21 ZINC001217437801 1030392448 /nfs/dbraw/zinc/39/24/48/1030392448.db2.gz ADTIAHOGFHOBAD-UHFFFAOYSA-N -1 0 385.339 3.702 20 5 GHBDRM O=c1c(-c2nc(-c3ccc(Cl)cc3F)no2)c[n-]c2ccc([N+](=O)[O-])cc12 ZINC001217439350 1030393568 /nfs/dbraw/zinc/39/35/68/1030393568.db2.gz WOFDUOKRRBJQPP-UHFFFAOYSA-N -1 0 386.726 3.946 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](O)c1ccccc1C(F)(F)F ZINC001152448991 1031246562 /nfs/dbraw/zinc/24/65/62/1031246562.db2.gz NNKPIVPMWBBSKQ-LBPRGKRZSA-N -1 0 390.701 3.645 20 5 GHBDRM CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@H]2Oc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001225488751 1031436845 /nfs/dbraw/zinc/43/68/45/1031436845.db2.gz LCAKVRLAIVCQER-VQIMIIECSA-N -1 0 378.425 3.859 20 5 GHBDRM COC(=O)[C@H](Cc1ccccc1)Oc1ccc2c(c1)oc1cc(O)ccc1c2=O ZINC001229516887 1033533749 /nfs/dbraw/zinc/53/37/49/1033533749.db2.gz KONBPNXRDVVHLC-NRFANRHFSA-N -1 0 390.391 3.815 20 5 GHBDRM CCOC(=O)[C@H](Oc1ccc2c(c1)oc1cc(O)ccc1c2=O)C(F)(F)F ZINC001229515506 1033533899 /nfs/dbraw/zinc/53/38/99/1033533899.db2.gz UDJRTENROBHROD-INIZCTEOSA-N -1 0 382.290 3.525 20 5 GHBDRM O=C(Nc1nc(-c2cccnc2)cs1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001157418079 1033576513 /nfs/dbraw/zinc/57/65/13/1033576513.db2.gz KAWXMOBSITWBJY-UHFFFAOYSA-N -1 0 376.781 3.725 20 5 GHBDRM CCCSc1nc(O[C@H](C)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c(=O)[n-]1 ZINC001229790609 1033716668 /nfs/dbraw/zinc/71/66/68/1033716668.db2.gz ARKVLKWQTJCWEU-SECBINFHSA-N -1 0 380.382 3.641 20 5 GHBDRM CSc1nc(Cl)c([N+](=O)[O-])c([N-][C@@H](c2ccccn2)C(F)(F)F)n1 ZINC001157684283 1033721400 /nfs/dbraw/zinc/72/14/00/1033721400.db2.gz JJUYIUHCNAVYFO-QMMMGPOBSA-N -1 0 379.751 3.871 20 5 GHBDRM CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cc2C1 ZINC001158250780 1033988856 /nfs/dbraw/zinc/98/88/56/1033988856.db2.gz UQHKETOLRQLISD-UHFFFAOYSA-N -1 0 399.403 3.803 20 5 GHBDRM CC(C)C[C@H](C)Oc1c2cc(S(=O)(=O)[O-])ccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231245212 1034482567 /nfs/dbraw/zinc/48/25/67/1034482567.db2.gz MSJPSZZPRDRLPO-JTQLQIEISA-N -1 0 398.393 3.716 20 5 GHBDRM CCCN(Cc1nc(=O)c2sccc2[n-]1)Cc1ccc([N+](=O)[O-])cc1F ZINC001253397543 1039600667 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/nfs/dbraw/zinc/50/65/94/1047506594.db2.gz RDDFSJCGQLKDNP-VXGBXAGGSA-N -1 0 392.843 3.648 20 5 GHBDRM Cc1ccccc1[C@@H](NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C)(C)C ZINC001309273405 1050543886 /nfs/dbraw/zinc/54/38/86/1050543886.db2.gz FQRKJANBJDESED-QGZVFWFLSA-N -1 0 378.450 3.675 20 5 GHBDRM CC(C)(C(=O)Nc1ccc(Br)c(O)c1)c1ccccc1[N+](=O)[O-] ZINC001343960995 1054145981 /nfs/dbraw/zinc/14/59/81/1054145981.db2.gz HPPAWEITUKVCOP-UHFFFAOYSA-N -1 0 379.210 3.979 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccn(C2CCCCC2)n1 ZINC001321170152 1056133876 /nfs/dbraw/zinc/13/38/76/1056133876.db2.gz OVMXAOSPQUJVQM-UHFFFAOYSA-N -1 0 378.454 3.660 20 5 GHBDRM CC(C)(C)S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001325009913 1057262830 /nfs/dbraw/zinc/26/28/30/1057262830.db2.gz DQWLQJDMHSGOGO-UHFFFAOYSA-N -1 0 394.474 3.604 20 5 GHBDRM O=C([N-]c1nnc(C(F)F)s1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001355883978 1057304706 /nfs/dbraw/zinc/30/47/06/1057304706.db2.gz WTLXMCZXBXSAQC-UHFFFAOYSA-N -1 0 377.332 3.698 20 5 GHBDRM COc1cc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1OC(C)C ZINC001440742478 1058604167 /nfs/dbraw/zinc/60/41/67/1058604167.db2.gz FIARBTAQSYIPEK-UHFFFAOYSA-N -1 0 394.811 3.680 20 5 GHBDRM CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001446828020 1059874610 /nfs/dbraw/zinc/87/46/10/1059874610.db2.gz ULQDADHGADZIEZ-XXFAHNHDSA-N -1 0 382.775 3.599 20 5 GHBDRM CN(C)Cc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1Cl ZINC001448738798 1060258567 /nfs/dbraw/zinc/25/85/67/1060258567.db2.gz QVBGHXASOCBYED-UHFFFAOYSA-N -1 0 384.219 3.921 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)ccc1[O-] ZINC001463706406 1064559763 /nfs/dbraw/zinc/55/97/63/1064559763.db2.gz BLVYDCMQGSFWER-DOTOQJQBSA-N -1 0 390.461 3.553 20 5 GHBDRM CC(C)(C)OC(=O)N(CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC1CC1 ZINC001466409193 1066138314 /nfs/dbraw/zinc/13/83/14/1066138314.db2.gz YLFPHPJXBGNQAC-UHFFFAOYSA-N -1 0 399.831 3.539 20 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Cc1cc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)c([N+](=O)[O-])s1 ZINC001475271992 1074815983 /nfs/dbraw/zinc/81/59/83/1074815983.db2.gz JLSZZPDIJIXBLH-LLVKDONJSA-N -1 0 398.359 3.686 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCC12CC2 ZINC001475555004 1074912958 /nfs/dbraw/zinc/91/29/58/1074912958.db2.gz ITVNYYMFHNJIGK-SECBINFHSA-N -1 0 379.265 3.760 20 5 GHBDRM COc1ccc(CC(=O)Nc2cc3ccccc3cc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000737984525 599733097 /nfs/dbraw/zinc/73/30/97/599733097.db2.gz NTGXVWWNXNXACR-UHFFFAOYSA-N -1 0 380.356 3.636 20 5 GHBDRM CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736274679 599763392 /nfs/dbraw/zinc/76/33/92/599763392.db2.gz VYPROUNLYSYCJU-RCQQVGEISA-N -1 0 391.424 3.504 20 5 GHBDRM O=C([O-])c1sc2ccccc2c1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000740279530 599794776 /nfs/dbraw/zinc/79/47/76/599794776.db2.gz DJHSRLXZGIKWFN-UHFFFAOYSA-N -1 0 380.385 3.815 20 5 GHBDRM Cc1ccc(Sc2ccc(C(=O)N(C)C(C)(C)C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000738668220 599826236 /nfs/dbraw/zinc/82/62/36/599826236.db2.gz QPRQPTLCWBDIFR-UHFFFAOYSA-N -1 0 388.445 3.990 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000736297936 599976884 /nfs/dbraw/zinc/97/68/84/599976884.db2.gz XMFIROWLMGHALS-MRXNPFEDSA-N -1 0 392.358 3.726 20 5 GHBDRM Cc1cc(C(=O)[O-])c2sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc2n1 ZINC000738346563 600049935 /nfs/dbraw/zinc/04/99/35/600049935.db2.gz WZXQXUIMLRFDSV-UHFFFAOYSA-N -1 0 392.780 3.512 20 5 GHBDRM O=C([O-])C1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000262270082 600053037 /nfs/dbraw/zinc/05/30/37/600053037.db2.gz YHVXSECMFWCJMF-UHFFFAOYSA-N -1 0 384.388 3.760 20 5 GHBDRM O=C([O-])Nc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1F ZINC000740009005 600087016 /nfs/dbraw/zinc/08/70/16/600087016.db2.gz VAVQPBDXLQOWMQ-UHFFFAOYSA-N -1 0 398.144 3.839 20 5 GHBDRM Cc1ccc([C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C(=O)[O-])cc1 ZINC000486382328 600155123 /nfs/dbraw/zinc/15/51/23/600155123.db2.gz STBCPGWGVFRBEH-HNNXBMFYSA-N -1 0 384.413 3.716 20 5 GHBDRM CC[C@@H]1CN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000736944346 600239713 /nfs/dbraw/zinc/23/97/13/600239713.db2.gz SCQGYJUHHHKIPL-DZGCQCFKSA-N -1 0 398.415 3.528 20 5 GHBDRM O=C([O-])c1ccc(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 ZINC000740137400 600274565 /nfs/dbraw/zinc/27/45/65/600274565.db2.gz YQBABMGRTQESRA-UHFFFAOYSA-N -1 0 388.401 3.524 20 5 GHBDRM CSc1ccc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000738198900 600287250 /nfs/dbraw/zinc/28/72/50/600287250.db2.gz HGRAWNATOHCNOW-UHFFFAOYSA-N -1 0 375.406 3.679 20 5 GHBDRM O=C([O-])NCc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000739992824 600296567 /nfs/dbraw/zinc/29/65/67/600296567.db2.gz UAEZMOYISFXVDL-UHFFFAOYSA-N -1 0 398.400 3.738 20 5 GHBDRM CC[C@H](C(=O)[O-])N(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000736850885 600380156 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COc1ccc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)cc1[N+](=O)[O-] ZINC000603981305 861500858 /nfs/dbraw/zinc/50/08/58/861500858.db2.gz VWFJUJAEZDTWTO-UHFFFAOYSA-N -1 0 392.433 3.726 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1OC(F)F ZINC000513366852 845290864 /nfs/dbraw/zinc/29/08/64/845290864.db2.gz VXWUYVWJOUCMGI-UHFFFAOYSA-N -1 0 386.376 3.922 20 5 GHBDRM CC(C)(C)c1ccc(Oc2ccc(CN=c3[n-]nc(CO)o3)cc2[N+](=O)[O-])cc1 ZINC000429855697 845397896 /nfs/dbraw/zinc/39/78/96/845397896.db2.gz DPAAPLGQOHIPDG-UHFFFAOYSA-N -1 0 398.419 3.594 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)noc1-c1ccccc1F ZINC000433138261 845480350 /nfs/dbraw/zinc/48/03/50/845480350.db2.gz XARPLSHEGBINNC-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2cccc(Cl)c2n1 ZINC000182964765 845705289 /nfs/dbraw/zinc/70/52/89/845705289.db2.gz GCHAJAZCAZOVDX-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000014256203 845923164 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O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506680659 850421207 /nfs/dbraw/zinc/42/12/07/850421207.db2.gz IBDUXUFFTPMZHO-UHFFFAOYSA-N -1 0 390.808 3.648 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000435713139 850796900 /nfs/dbraw/zinc/79/69/00/850796900.db2.gz JAYIJXDXJVWEIR-KGLIPLIRSA-N -1 0 380.466 3.716 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC2CCN(Cc3ccc(F)c(F)c3)CC2)c1 ZINC000910345745 851141154 /nfs/dbraw/zinc/14/11/54/851141154.db2.gz ZLPSUIMYMZIQOU-UHFFFAOYSA-N -1 0 391.374 3.648 20 5 GHBDRM Cc1ccc(F)c(-c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)n[nH]2)c1 ZINC000436178318 851305869 /nfs/dbraw/zinc/30/58/69/851305869.db2.gz HLVQUYBEDWTYMW-UHFFFAOYSA-N -1 0 390.396 3.542 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)cc1 ZINC000028260675 851312853 /nfs/dbraw/zinc/31/28/53/851312853.db2.gz XYOJGBFOPJKQLX-UHFFFAOYSA-N -1 0 392.433 3.726 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(Cc3cc(Br)cs3)no2)cc1[O-] ZINC000436283692 851406612 /nfs/dbraw/zinc/40/66/12/851406612.db2.gz KDCCFXXEORSRPZ-UHFFFAOYSA-N -1 0 382.195 3.765 20 5 GHBDRM COc1ccc(CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@H](C)C2CC2)cc1 ZINC000604497051 862257680 /nfs/dbraw/zinc/25/76/80/862257680.db2.gz UEKXNZAYGIQNNU-CYBMUJFWSA-N -1 0 398.415 3.743 20 5 GHBDRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000262050617 851989441 /nfs/dbraw/zinc/98/94/41/851989441.db2.gz FLOJJHRMQXQQPL-DYVFJYSZSA-N -1 0 388.445 3.716 20 5 GHBDRM CCOc1cc(CN(C)Cc2cc([O-])ccc2[N+](=O)[O-])ccc1OC(F)F ZINC000506177386 852039636 /nfs/dbraw/zinc/03/96/36/852039636.db2.gz DPYXEWRJZWWLHV-UHFFFAOYSA-N -1 0 382.363 3.933 20 5 GHBDRM O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436554229 852043072 /nfs/dbraw/zinc/04/30/72/852043072.db2.gz FMYZBZDQOIQPLT-UHFFFAOYSA-N -1 0 377.328 3.954 20 5 GHBDRM COc1ccc(-c2ccc(C)c(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2)cn1 ZINC000436676123 852203282 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XQBSBZLHAADNGT-UHFFFAOYSA-N -1 0 383.404 3.569 20 5 GHBDRM O=C(NCCc1nc2cc(Cl)ccc2s1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436944199 852525584 /nfs/dbraw/zinc/52/55/84/852525584.db2.gz APANSVIQZKIZSA-UHFFFAOYSA-N -1 0 377.809 3.536 20 5 GHBDRM CCOCCOc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436963140 852534556 /nfs/dbraw/zinc/53/45/56/852534556.db2.gz JXPGSIAUJSHGHX-UHFFFAOYSA-N -1 0 380.784 3.621 20 5 GHBDRM Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436966655 852538356 /nfs/dbraw/zinc/53/83/56/852538356.db2.gz OLCFVMRNLMTQAM-SFHVURJKSA-N -1 0 392.415 3.983 20 5 GHBDRM Cc1nc(C)c(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])n2)s1 ZINC000436972449 852556860 /nfs/dbraw/zinc/55/68/60/852556860.db2.gz ONUPTKNMHDLPPC-UHFFFAOYSA-N -1 0 376.419 3.750 20 5 GHBDRM COc1ccc2[nH]cc(C3CCN(C(=O)c4cc([O-])cc([N+](=O)[O-])c4)CC3)c2c1 ZINC000505919519 852589566 /nfs/dbraw/zinc/58/95/66/852589566.db2.gz RWZWPWKISNZABJ-UHFFFAOYSA-N -1 0 395.415 3.810 20 5 GHBDRM C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 ZINC000507156698 852623366 /nfs/dbraw/zinc/62/33/66/852623366.db2.gz USOLMIHJRAKRAI-AWEZNQCLSA-N -1 0 393.399 3.765 20 5 GHBDRM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)c2ccccc2N1Cc1ccccc1 ZINC000438607201 852628541 /nfs/dbraw/zinc/62/85/41/852628541.db2.gz JXQKEOUBUMXMNB-OAHLLOKOSA-N -1 0 376.416 3.978 20 5 GHBDRM CC[C@](NC(=O)c1cccc([N+](=O)[O-])c1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507275456 852730459 /nfs/dbraw/zinc/73/04/59/852730459.db2.gz CJPXDPBUZWBWAO-GOSISDBHSA-N -1 0 376.796 3.677 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000507302570 852779615 /nfs/dbraw/zinc/77/96/15/852779615.db2.gz JIHBQVSHEGHBEY-LLVKDONJSA-N -1 0 385.351 3.601 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000507302573 852779799 /nfs/dbraw/zinc/77/97/99/852779799.db2.gz JIHBQVSHEGHBEY-NSHDSACASA-N -1 0 385.351 3.601 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1nc2c(ccc3c2CCCC3)s1 ZINC000507305379 852782359 /nfs/dbraw/zinc/78/23/59/852782359.db2.gz RBKHEHNHOXTIEM-UHFFFAOYSA-N -1 0 389.458 3.884 20 5 GHBDRM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437283028 852951074 /nfs/dbraw/zinc/95/10/74/852951074.db2.gz DPJQYEQISUCGLP-UHFFFAOYSA-N -1 0 394.334 3.806 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCCSc1ccccc1 ZINC000516786116 852998203 /nfs/dbraw/zinc/99/82/03/852998203.db2.gz FPGCGIMHVCYMCT-UHFFFAOYSA-N -1 0 386.882 3.709 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2ncco2)c1C ZINC000427348469 853011922 /nfs/dbraw/zinc/01/19/22/853011922.db2.gz BJBNSWDPLJUZAF-UHFFFAOYSA-N -1 0 387.417 3.921 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000586750206 853519988 /nfs/dbraw/zinc/51/99/88/853519988.db2.gz KZSRMUNHKSJCSX-UHFFFAOYSA-N -1 0 391.430 3.528 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000519890469 853587579 /nfs/dbraw/zinc/58/75/79/853587579.db2.gz BJFAGDBZYRKKMQ-GOEBONIOSA-N -1 0 378.425 3.739 20 5 GHBDRM COc1cc(/C=C\c2nc3ccccc3s2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000517400868 853726285 /nfs/dbraw/zinc/72/62/85/853726285.db2.gz CXNZFJDPBHHNDD-SREVYHEPSA-N -1 0 386.385 3.847 20 5 GHBDRM C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H](c2ccccc2)O1 ZINC000571330168 853844419 /nfs/dbraw/zinc/84/44/19/853844419.db2.gz HSYMTMARTPPEHV-MEDUHNTESA-N -1 0 376.796 3.556 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)c1C ZINC000589557555 855026287 /nfs/dbraw/zinc/02/62/87/855026287.db2.gz ASMINIMLGUYCOU-UHFFFAOYSA-N -1 0 389.355 3.735 20 5 GHBDRM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000057126274 855237791 /nfs/dbraw/zinc/23/77/91/855237791.db2.gz SWNAYXGVLMCYCB-GFCCVEGCSA-N -1 0 380.422 3.582 20 5 GHBDRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000590399248 855390254 /nfs/dbraw/zinc/39/02/54/855390254.db2.gz IPHAMUUWOBNIGB-UHFFFAOYSA-N -1 0 393.403 3.543 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1c[nH]c2cccc(Br)c12 ZINC000166070811 855397692 /nfs/dbraw/zinc/39/76/92/855397692.db2.gz IIKMJDQNPCKHLO-UHFFFAOYSA-N -1 0 376.166 3.797 20 5 GHBDRM COc1cc(CNc2ncc(Cc3cccc(F)c3)s2)cc([N+](=O)[O-])c1[O-] ZINC000542753324 855634349 /nfs/dbraw/zinc/63/43/49/855634349.db2.gz DGIWHFVPOOXKGY-UHFFFAOYSA-N -1 0 389.408 3.529 20 5 GHBDRM Cc1cc(N[C@@H](C)C2CCN(CC(F)(F)F)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000573449549 856132922 /nfs/dbraw/zinc/13/29/22/856132922.db2.gz SFLFQNKDPHLYMO-NSHDSACASA-N -1 0 389.374 3.676 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccc(OCc3ccccc3)cc2)n1 ZINC000573670080 856383508 /nfs/dbraw/zinc/38/35/08/856383508.db2.gz AAODRCLLSCYMMR-UHFFFAOYSA-N -1 0 379.372 3.879 20 5 GHBDRM Cc1ccc(COc2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])cc2)cc1 ZINC000486071867 857407883 /nfs/dbraw/zinc/40/78/83/857407883.db2.gz ANQJGEJFZXTEKA-FLIBITNWSA-N -1 0 379.372 3.854 20 5 GHBDRM CC(C)C[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000486285134 857618289 /nfs/dbraw/zinc/61/82/89/857618289.db2.gz RDEMFIPFXAWHKI-QGZVFWFLSA-N -1 0 399.447 3.684 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3F)nc2)c1 ZINC000442245629 857649365 /nfs/dbraw/zinc/64/93/65/857649365.db2.gz RTOLZFOJNIMNQX-UHFFFAOYSA-N -1 0 389.364 3.722 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)cc1[N+](=O)[O-] ZINC000486511368 857808787 /nfs/dbraw/zinc/80/87/87/857808787.db2.gz VNPYTGNUWVUVDV-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(-c2cccc(Cl)c2)on1 ZINC000486573959 857875701 /nfs/dbraw/zinc/87/57/01/857875701.db2.gz JRPAEWOZLZEYTO-UHFFFAOYSA-N -1 0 379.781 3.704 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c2cccnc12 ZINC000486608511 857895413 /nfs/dbraw/zinc/89/54/13/857895413.db2.gz YJVCOYYBKGCRBJ-UHFFFAOYSA-N -1 0 387.417 3.569 20 5 GHBDRM Cc1c(Br)c(N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)ncc1[N+](=O)[O-] ZINC000594540653 858214956 /nfs/dbraw/zinc/21/49/56/858214956.db2.gz HKIABLNFCPBNQT-KXUCPTDWSA-N -1 0 386.246 3.608 20 5 GHBDRM Cc1c(-c2cc(F)ccc2OC[C@H]2CCCO2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000594874032 858292712 /nfs/dbraw/zinc/29/27/12/858292712.db2.gz JDDLZQYITALPCU-CQSZACIVSA-N -1 0 375.352 3.965 20 5 GHBDRM O=C([O-])CC[C@H]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000595973669 858736082 /nfs/dbraw/zinc/73/60/82/858736082.db2.gz IGIRAVTYFDPLQE-SECBINFHSA-N -1 0 397.300 3.725 20 5 GHBDRM CO[C@H](C)CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000509393418 859290800 /nfs/dbraw/zinc/29/08/00/859290800.db2.gz YZQTUNIOQYHXJE-SNVBAGLBSA-N -1 0 388.492 3.584 20 5 GHBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000764649550 859554969 /nfs/dbraw/zinc/55/49/69/859554969.db2.gz RCNQGWPQTMFTAN-LBPRGKRZSA-N -1 0 394.474 3.528 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc(OC)c1C(C)C ZINC000484221780 859894982 /nfs/dbraw/zinc/89/49/82/859894982.db2.gz PUGGTHWFTOPAEO-UHFFFAOYSA-N -1 0 394.449 3.845 20 5 GHBDRM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000484256428 859902899 /nfs/dbraw/zinc/90/28/99/859902899.db2.gz QCMRBIJPHXWPEN-UHFFFAOYSA-N -1 0 388.804 3.975 20 5 GHBDRM O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000552156076 859997855 /nfs/dbraw/zinc/99/78/55/859997855.db2.gz RSOJYKVLWJBDPU-UHFFFAOYSA-N -1 0 390.808 3.648 20 5 GHBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cccc(SC(F)F)c1 ZINC000727363447 860064769 /nfs/dbraw/zinc/06/47/69/860064769.db2.gz PKTMRPPLQQNKNK-UHFFFAOYSA-N -1 0 378.353 3.849 20 5 GHBDRM O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000124945489 860537932 /nfs/dbraw/zinc/53/79/32/860537932.db2.gz VQPZURCLIOPHGF-UHFFFAOYSA-N -1 0 389.314 3.805 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)ccc1Cl ZINC000603570367 860820367 /nfs/dbraw/zinc/82/03/67/860820367.db2.gz CKAMCVHBHKTUSF-UHFFFAOYSA-N -1 0 375.768 3.773 20 5 GHBDRM CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000555415067 860841029 /nfs/dbraw/zinc/84/10/29/860841029.db2.gz ANLFYRABTYRODP-UHFFFAOYSA-N -1 0 375.400 3.679 20 5 GHBDRM COc1cc(Br)ccc1[C@@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000555460649 860952387 /nfs/dbraw/zinc/95/23/87/860952387.db2.gz AGJOMGLLYBWGOK-SNVBAGLBSA-N -1 0 381.226 3.922 20 5 GHBDRM Cc1nc(C)c([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000532292642 881700148 /nfs/dbraw/zinc/70/01/48/881700148.db2.gz QRZSNVYMWBIOCW-UHFFFAOYSA-N -1 0 382.250 3.776 20 5 GHBDRM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1C ZINC000063181176 864301453 /nfs/dbraw/zinc/30/14/53/864301453.db2.gz XWBHLZKWWYGBSE-UHFFFAOYSA-N -1 0 395.412 3.582 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)c1[N+](=O)[O-] ZINC000480234607 864317957 /nfs/dbraw/zinc/31/79/57/864317957.db2.gz WSGPDSJBZULWDS-UHFFFAOYSA-N -1 0 390.339 3.753 20 5 GHBDRM CC(C)[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000734704244 864399421 /nfs/dbraw/zinc/39/94/21/864399421.db2.gz UYGCXRWOIVKHOL-HNNXBMFYSA-N -1 0 382.482 3.642 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H](c2ccccc2)C(C)C)ccc1[N+](=O)[O-] ZINC000734737540 864413322 /nfs/dbraw/zinc/41/33/22/864413322.db2.gz SIFCNEOEYBSVKN-KRWDZBQOSA-N -1 0 390.461 3.538 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n(-c2cccc(Cl)c2)n1 ZINC000608927147 865833380 /nfs/dbraw/zinc/83/33/80/865833380.db2.gz LLDGUWPOIYQPQP-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC000183130752 866243382 /nfs/dbraw/zinc/24/33/82/866243382.db2.gz PRRFVNRCDKHAIZ-UHFFFAOYSA-N -1 0 385.401 3.537 20 5 GHBDRM COCC[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000456307744 866399090 /nfs/dbraw/zinc/39/90/90/866399090.db2.gz YGVQFLWDKWPAFR-MRXNPFEDSA-N -1 0 398.337 3.827 20 5 GHBDRM CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000553076353 866769962 /nfs/dbraw/zinc/76/99/62/866769962.db2.gz YIVOUNMNMVBWDT-UHFFFAOYSA-N -1 0 384.310 3.514 20 5 GHBDRM CC(C)CNC(=O)c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000475606928 866804328 /nfs/dbraw/zinc/80/43/28/866804328.db2.gz VKZTVYPFZONMPC-UHFFFAOYSA-N -1 0 391.811 3.592 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c([N+](=O)[O-])c1 ZINC000609068683 867398759 /nfs/dbraw/zinc/39/87/59/867398759.db2.gz SDWNJPLFTNJPDZ-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccc(Cl)cc3)c2)cc1[N+](=O)[O-] ZINC000479534373 867958337 /nfs/dbraw/zinc/95/83/37/867958337.db2.gz VZIZCPBJOCYVKQ-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM CCn1cc(S(=O)(=O)[N-]c2ccc3oc4ccccc4c3c2)c([N+](=O)[O-])n1 ZINC000535228727 868371694 /nfs/dbraw/zinc/37/16/94/868371694.db2.gz DFHFHVMVCLVDCQ-UHFFFAOYSA-N -1 0 386.389 3.511 20 5 GHBDRM CC(C)[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000462382093 869332661 /nfs/dbraw/zinc/33/26/61/869332661.db2.gz VYUUCCGWMSUXEY-CQSZACIVSA-N -1 0 389.477 3.756 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000446224657 869566844 /nfs/dbraw/zinc/56/68/44/869566844.db2.gz HDFNFJAHVOAPAD-UHFFFAOYSA-N -1 0 375.340 3.547 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)cc1OCC1CC1 ZINC000524852670 869676549 /nfs/dbraw/zinc/67/65/49/869676549.db2.gz LDKUSNOXVSRSCS-UHFFFAOYSA-N -1 0 380.397 3.632 20 5 GHBDRM Cc1ccccc1C1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCOCC1 ZINC000539782432 869780619 /nfs/dbraw/zinc/78/06/19/869780619.db2.gz YCNLFXPSAWKIKX-UHFFFAOYSA-N -1 0 390.823 3.949 20 5 GHBDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)NCc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000524987658 869847707 /nfs/dbraw/zinc/84/77/07/869847707.db2.gz VHJMBNJFMHUAND-UHFFFAOYSA-N -1 0 380.404 3.540 20 5 GHBDRM CCOc1ccc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000446760477 870355235 /nfs/dbraw/zinc/35/52/35/870355235.db2.gz TXZPIOXEYBIPKA-UHFFFAOYSA-N -1 0 388.804 3.728 20 5 GHBDRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCC1CC1 ZINC000463081132 870812007 /nfs/dbraw/zinc/81/20/07/870812007.db2.gz CBSGSIUNNGTRIC-UHFFFAOYSA-N -1 0 391.449 3.616 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3ncc4n3CCCC4)c2)cc1 ZINC000446967799 870821200 /nfs/dbraw/zinc/82/12/00/870821200.db2.gz WOKYUKDOCSHIOQ-UHFFFAOYSA-N -1 0 398.444 3.595 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1(c2ccc(F)cc2)CCOCC1 ZINC000181540507 871156738 /nfs/dbraw/zinc/15/67/38/871156738.db2.gz GJKFGERAWZLZEU-UHFFFAOYSA-N -1 0 394.786 3.780 20 5 GHBDRM O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1cccc([O-])c1[N+](=O)[O-] ZINC000540511831 871458814 /nfs/dbraw/zinc/45/88/14/871458814.db2.gz OTOZMPYCPISARX-UHFFFAOYSA-N -1 0 391.355 3.878 20 5 GHBDRM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462158695 871711632 /nfs/dbraw/zinc/71/16/32/871711632.db2.gz SWPFTRAVWZAPGG-MRVPVSSYSA-N -1 0 395.289 3.873 20 5 GHBDRM CC1(C)CC[C@@H]2C[C@H]([N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])c3cccc1c32 ZINC000540653358 871849680 /nfs/dbraw/zinc/84/96/80/871849680.db2.gz FFTFMCDUBXSTLR-DOMZBBRYSA-N -1 0 387.461 3.568 20 5 GHBDRM CC1(C)CC[C@H]2C[C@@H]([N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])c3cccc1c32 ZINC000540653363 871850052 /nfs/dbraw/zinc/85/00/52/871850052.db2.gz FFTFMCDUBXSTLR-SWLSCSKDSA-N -1 0 387.461 3.568 20 5 GHBDRM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000443400136 872097391 /nfs/dbraw/zinc/09/73/91/872097391.db2.gz PIWJZOKOLLXDND-UHFFFAOYSA-N -1 0 376.434 3.726 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC000767089823 872257737 /nfs/dbraw/zinc/25/77/37/872257737.db2.gz QWLBCVAGUBXELD-UHFFFAOYSA-N -1 0 387.348 3.808 20 5 GHBDRM COc1cc(CCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc(OC)c1 ZINC000540847532 872303848 /nfs/dbraw/zinc/30/38/48/872303848.db2.gz WFPMXYQAKJPGAL-UHFFFAOYSA-N -1 0 380.784 3.542 20 5 GHBDRM O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000552365529 872524985 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383.838 3.967 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1O ZINC000769884454 874350374 /nfs/dbraw/zinc/35/03/74/874350374.db2.gz AOBPURJMSIYVGW-UHFFFAOYSA-N -1 0 395.195 3.856 20 5 GHBDRM CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000776083752 875311611 /nfs/dbraw/zinc/31/16/11/875311611.db2.gz AFZDXMKFFZHTCT-LLVKDONJSA-N -1 0 376.862 3.660 20 5 GHBDRM CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000776196806 875788740 /nfs/dbraw/zinc/78/87/40/875788740.db2.gz LONLHMUYKRTVCH-DJJJIMSYSA-N -1 0 393.440 3.713 20 5 GHBDRM O=c1[nH]c(C(Cl)=Cc2cc([O-])ccc2[N+](=O)[O-])nc2ccc(Cl)cc12 ZINC000176380271 875937377 /nfs/dbraw/zinc/93/73/77/875937377.db2.gz RGQGJQDAMLCCOR-SDQBBNPISA-N -1 0 378.171 3.927 20 5 GHBDRM COC(=O)c1ccccc1-c1ccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])o1 ZINC000609336922 883032944 /nfs/dbraw/zinc/03/29/44/883032944.db2.gz LRENSNDIRWVBPB-VURMDHGXSA-N -1 0 394.339 3.905 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CCCCCc1cccs1 ZINC000109185132 876741872 /nfs/dbraw/zinc/74/18/72/876741872.db2.gz RMDJZUANYQUIJG-UHFFFAOYSA-N -1 0 396.490 3.573 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1nsc(-c2ccccc2)n1 ZINC000551019136 883069217 /nfs/dbraw/zinc/06/92/17/883069217.db2.gz YIGBWEPIHHJOSU-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM Cn1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C2CCCCC2)n1 ZINC000451075412 877310517 /nfs/dbraw/zinc/31/05/17/877310517.db2.gz WJDHXBYUBCUKSO-UHFFFAOYSA-N -1 0 398.872 3.830 20 5 GHBDRM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000451093909 877361546 /nfs/dbraw/zinc/36/15/46/877361546.db2.gz GIQKJPIOCRCFOX-UHFFFAOYSA-N -1 0 396.469 3.643 20 5 GHBDRM CC(=O)c1cccc(OCc2cc(C(=O)[N-]c3cc([N+](=O)[O-])ccc3F)no2)c1 ZINC000179920217 878182163 /nfs/dbraw/zinc/18/21/63/878182163.db2.gz XTECJUNFNKDFHI-UHFFFAOYSA-N -1 0 399.334 3.756 20 5 GHBDRM CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130468852 878274405 /nfs/dbraw/zinc/27/44/05/878274405.db2.gz XSFDMEPFUWDKNT-QGZVFWFLSA-N -1 0 380.404 3.647 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000180160562 878579053 /nfs/dbraw/zinc/57/90/53/878579053.db2.gz CVCQUVUPDQTAJJ-UHFFFAOYSA-N -1 0 379.394 3.537 20 5 GHBDRM CC(C)(C)OC(=O)NC1(c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)CCCC1 ZINC000790213832 879533605 /nfs/dbraw/zinc/53/36/05/879533605.db2.gz CCHZTRNOYGXENY-UHFFFAOYSA-N -1 0 390.396 3.644 20 5 GHBDRM CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000476897190 883348233 /nfs/dbraw/zinc/34/82/33/883348233.db2.gz YJDYXYCIDJKNEB-SFHVURJKSA-N -1 0 398.806 3.605 20 5 GHBDRM CSc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000064475977 883475059 /nfs/dbraw/zinc/47/50/59/883475059.db2.gz RQTMZAJVNOTNIS-UHFFFAOYSA-N -1 0 390.389 3.719 20 5 GHBDRM Cc1ccccc1CC(C)(C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000476958721 883477233 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CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000862831598 886682142 /nfs/dbraw/zinc/68/21/42/886682142.db2.gz YEDITYBZOBQVQR-UHFFFAOYSA-N -1 0 387.392 3.924 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2SC(F)(F)F)ccc1[O-] ZINC000915658040 887279994 /nfs/dbraw/zinc/27/99/94/887279994.db2.gz HJQDTMCKLNILRO-UHFFFAOYSA-N -1 0 394.352 3.713 20 5 GHBDRM CCSCc1ccnc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000123731077 887595362 /nfs/dbraw/zinc/59/53/62/887595362.db2.gz CQCBSFQGWZCNQG-UHFFFAOYSA-N -1 0 387.870 3.697 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1SC(F)F ZINC000794865810 888562486 /nfs/dbraw/zinc/56/24/86/888562486.db2.gz KJUBNZKKHZIKLP-UHFFFAOYSA-N -1 0 390.389 3.719 20 5 GHBDRM CC(C)(C)c1n[n-]c(=NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000454546850 889253977 /nfs/dbraw/zinc/25/39/77/889253977.db2.gz OTHQZKKOGCOEMA-ZDUSSCGKSA-N -1 0 389.481 3.577 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCc2ccccc2)nc1 ZINC000533007480 889511808 /nfs/dbraw/zinc/51/18/08/889511808.db2.gz LRRNQXFLTKSNFI-UHFFFAOYSA-N -1 0 399.428 3.678 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)nn1C1CCCCC1 ZINC000811718361 889916850 /nfs/dbraw/zinc/91/68/50/889916850.db2.gz PIQRWCGUPCKYKD-UHFFFAOYSA-N -1 0 396.444 3.853 20 5 GHBDRM O=C([N-]S(=O)(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000916747020 890169707 /nfs/dbraw/zinc/16/97/07/890169707.db2.gz XBTKBRJZBRVPJB-UHFFFAOYSA-N -1 0 398.396 3.506 20 5 GHBDRM CSc1nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])cc2s1 ZINC000917720081 892427083 /nfs/dbraw/zinc/42/70/83/892427083.db2.gz SAILOFZUPGCYMD-UHFFFAOYSA-N -1 0 399.450 3.866 20 5 GHBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cccnc1Oc1ccccc1 ZINC000917753867 892507401 /nfs/dbraw/zinc/50/74/01/892507401.db2.gz ZMQFQHJMKBGCLY-UHFFFAOYSA-N -1 0 389.364 3.722 20 5 GHBDRM COc1ccccc1C[C@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563183917 893452864 /nfs/dbraw/zinc/45/28/64/893452864.db2.gz PYIZBNKIHLRGCD-CQSZACIVSA-N -1 0 390.823 3.810 20 5 GHBDRM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)c1 ZINC000563193051 893467011 /nfs/dbraw/zinc/46/70/11/893467011.db2.gz JRGINXMPIWNLIQ-MQMHXKEQSA-N -1 0 390.823 3.981 20 5 GHBDRM Cc1nc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3F)cc2s1 ZINC000760334672 895209475 /nfs/dbraw/zinc/20/94/75/895209475.db2.gz KMWAEDAEBNJTBO-UHFFFAOYSA-N -1 0 381.410 3.761 20 5 GHBDRM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2COC)cc1[N+](=O)[O-] ZINC000565422678 895613648 /nfs/dbraw/zinc/61/36/48/895613648.db2.gz SVNMOOZVNFLQOO-UHFFFAOYSA-N -1 0 384.841 3.758 20 5 GHBDRM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)o1 ZINC001185616395 913993078 /nfs/dbraw/zinc/99/30/78/913993078.db2.gz ZHKWPIKPTKVDMD-KWQFWETISA-N -1 0 388.804 3.582 20 5 GHBDRM O=C([N-][C@H](c1nccs1)C(F)(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000818312051 896110736 /nfs/dbraw/zinc/11/07/36/896110736.db2.gz HREWPHGQZBSAMB-SECBINFHSA-N -1 0 381.282 3.563 20 5 GHBDRM O=C([O-])c1cnc(N2CCC(c3c[nH]c4ccc(F)cc43)CC2)c([N+](=O)[O-])c1 ZINC000566290250 896219632 /nfs/dbraw/zinc/21/96/32/896219632.db2.gz DXIVWEWVCXDKBG-UHFFFAOYSA-N -1 0 384.367 3.692 20 5 GHBDRM C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC001136212766 896586927 /nfs/dbraw/zinc/58/69/27/896586927.db2.gz MPJFXLPLGQAJLI-OKILXGFUSA-N -1 0 397.431 3.671 20 5 GHBDRM O=C(Nc1ncc(C2CCOCC2)s1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567954788 897504893 /nfs/dbraw/zinc/50/48/93/897504893.db2.gz MJOYHMBWUKWTSQ-UHFFFAOYSA-N -1 0 383.813 3.557 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC([C@@H](F)c3ccccc3F)CC2)n1 ZINC000567984310 897523132 /nfs/dbraw/zinc/52/31/32/897523132.db2.gz IDMFDNLJMBYUMG-MRXNPFEDSA-N -1 0 377.347 3.754 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c(O)c1 ZINC000821128117 897728998 /nfs/dbraw/zinc/72/89/98/897728998.db2.gz SJRLTSUEBWQFML-UHFFFAOYSA-N -1 0 377.205 3.716 20 5 GHBDRM 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ZINC000844654150 901112612 /nfs/dbraw/zinc/11/26/12/901112612.db2.gz GSDZKUVCSZZJCS-UHFFFAOYSA-N -1 0 382.825 3.682 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)c1C ZINC000600662352 902794040 /nfs/dbraw/zinc/79/40/40/902794040.db2.gz KATXHXIMEOYREO-UHFFFAOYSA-N -1 0 390.461 3.906 20 5 GHBDRM CCc1cc(N2CCC(C(C)(C)C(=O)[O-])CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000577495977 902821166 /nfs/dbraw/zinc/82/11/66/902821166.db2.gz CYIXCMWSDJDIQN-UHFFFAOYSA-N -1 0 398.463 3.941 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000779085817 904027322 /nfs/dbraw/zinc/02/73/22/904027322.db2.gz SCWXDJUNOMZCFB-UHFFFAOYSA-N -1 0 379.438 3.524 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000179508121 906516653 /nfs/dbraw/zinc/51/66/53/906516653.db2.gz PFNSTGQDRMBYEM-GOSISDBHSA-N -1 0 390.823 3.540 20 5 GHBDRM O=C([O-])c1ccc(Nc2ccc3nnc(-c4ccccc4)n3c2)cc1[N+](=O)[O-] ZINC001174503405 907078971 /nfs/dbraw/zinc/07/89/71/907078971.db2.gz NJWQRLDMGVPKLL-UHFFFAOYSA-N -1 0 375.344 3.746 20 5 GHBDRM COC(=O)c1cc(Cl)nc(Cl)c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503113 907079087 /nfs/dbraw/zinc/07/90/87/907079087.db2.gz UVCKCRKRXVEWKK-UHFFFAOYSA-N -1 0 386.147 3.525 20 5 GHBDRM CC(C)n1ncc2cc(/C=C/c3ncc([N+](=O)[O-])cc3C(=O)[O-])c(Cl)nc21 ZINC000192982087 908041079 /nfs/dbraw/zinc/04/10/79/908041079.db2.gz QMENKDAJGNFVEI-ONEGZZNKSA-N -1 0 387.783 3.837 20 5 GHBDRM O=C([O-])c1cc(Nc2ccc3nccnc3c2Br)cc([N+](=O)[O-])c1 ZINC001176677301 908205598 /nfs/dbraw/zinc/20/55/98/908205598.db2.gz RGFKGLHLYKXUET-UHFFFAOYSA-N -1 0 389.165 3.742 20 5 GHBDRM CCOC(=O)c1coc(-c2cccc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2)n1 ZINC001176679703 908207891 /nfs/dbraw/zinc/20/78/91/908207891.db2.gz PCNHBRKPGSUGOZ-UHFFFAOYSA-N -1 0 397.343 3.868 20 5 GHBDRM COc1ccc(-c2noc(-c3nc[n-]c3[N+](=O)[O-])n2)cc1OCc1ccccc1 ZINC001212893145 911370877 /nfs/dbraw/zinc/37/08/77/911370877.db2.gz OGFFAFRJYDSDNH-UHFFFAOYSA-N -1 0 393.359 3.623 20 5 GHBDRM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccc([N+](=O)[O-])c(Cl)c1)CC3 ZINC000774114374 911401353 /nfs/dbraw/zinc/40/13/53/911401353.db2.gz JTKDUBNBEJYGNI-XFFZJAGNSA-N -1 0 397.774 3.601 20 5 GHBDRM O=C(Nc1nnc(C2CCOCC2)s1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000294026654 916537633 /nfs/dbraw/zinc/53/76/33/916537633.db2.gz FKKZBJNJERRHGI-UHFFFAOYSA-N -1 0 390.446 3.807 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000119794895 919655700 /nfs/dbraw/zinc/65/57/00/919655700.db2.gz SETFWZIPTBXVPN-INIZCTEOSA-N -1 0 396.321 3.533 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3)s2)cs1 ZINC000119974905 919673061 /nfs/dbraw/zinc/67/30/61/919673061.db2.gz ZVZOCIVEJRBCIO-UHFFFAOYSA-N -1 0 381.460 3.504 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cn2)cs1 ZINC000120004024 919677839 /nfs/dbraw/zinc/67/78/39/919677839.db2.gz SWWIBDBQELBCEO-UHFFFAOYSA-N -1 0 377.403 3.644 20 5 GHBDRM Cc1cc(Br)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)s1 ZINC000800928687 920612885 /nfs/dbraw/zinc/61/28/85/920612885.db2.gz RRLODOHZRLGULH-UHFFFAOYSA-N -1 0 395.231 3.667 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2F)ccc1Cl ZINC000802754534 922382764 /nfs/dbraw/zinc/38/27/64/922382764.db2.gz BANIKSXOQYTWLZ-UHFFFAOYSA-N -1 0 396.787 3.578 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCCC3)c(F)c1 ZINC000409547772 924755769 /nfs/dbraw/zinc/75/57/69/924755769.db2.gz MGLPZQCXJLSETN-UHFFFAOYSA-N -1 0 385.442 3.650 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000466964642 928549724 /nfs/dbraw/zinc/54/97/24/928549724.db2.gz LWIWNSIZPXKYJO-UHFFFAOYSA-N -1 0 382.463 3.994 20 5 GHBDRM CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c2ncccc12 ZINC000466972395 928553848 /nfs/dbraw/zinc/55/38/48/928553848.db2.gz DRRZXHLGFSMVPQ-UHFFFAOYSA-N -1 0 393.446 3.712 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCCC(C)C)cc1 ZINC000467077223 928669485 /nfs/dbraw/zinc/66/94/85/928669485.db2.gz ZVMJVGLVZNQYPS-UHFFFAOYSA-N -1 0 394.449 3.829 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000752198219 928679280 /nfs/dbraw/zinc/67/92/80/928679280.db2.gz RAVWZVBYEQSASF-UHFFFAOYSA-N -1 0 382.467 3.603 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccc3c2ccn3C)cc1[N+](=O)[O-] ZINC000753086251 929198057 /nfs/dbraw/zinc/19/80/57/929198057.db2.gz XDMGATKNCHVTNP-UHFFFAOYSA-N -1 0 379.825 3.849 20 5 GHBDRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 ZINC000757926862 929858713 /nfs/dbraw/zinc/85/87/13/929858713.db2.gz WFTPWNLURZVWKJ-UHFFFAOYSA-N -1 0 398.412 3.641 20 5 GHBDRM O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469560774 929989809 /nfs/dbraw/zinc/98/98/09/929989809.db2.gz RMZHXLPSHKQTNU-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000780632329 930564008 /nfs/dbraw/zinc/56/40/08/930564008.db2.gz JFGRKDMYILTXBL-LJQANCHMSA-N -1 0 398.440 3.738 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Br)c2)c(C)s1 ZINC000782263373 931146364 /nfs/dbraw/zinc/14/63/64/931146364.db2.gz JQDWFKZFKCRFQZ-UHFFFAOYSA-N -1 0 391.268 3.836 20 5 GHBDRM C[C@H](NC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000797710339 932376784 /nfs/dbraw/zinc/37/67/84/932376784.db2.gz AXSNFTYYOBRGLP-DJJJIMSYSA-N -1 0 393.399 3.934 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c1 ZINC000798246955 932575130 /nfs/dbraw/zinc/57/51/30/932575130.db2.gz KUUMNNGGXOKQPZ-UHFFFAOYSA-N -1 0 397.771 3.843 20 5 GHBDRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798279665 932591587 /nfs/dbraw/zinc/59/15/87/932591587.db2.gz RWOQXPFHLAULOH-YPMHNXCESA-N -1 0 392.843 3.790 20 5 GHBDRM CCCCN(C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])C1CC1 ZINC000798279674 932591894 /nfs/dbraw/zinc/59/18/94/932591894.db2.gz DWDMCAAPPNNZLS-UHFFFAOYSA-N -1 0 378.816 3.544 20 5 GHBDRM C[C@H](OC(=O)c1cc([S-])ccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000798723171 932754868 /nfs/dbraw/zinc/75/48/68/932754868.db2.gz DYGIOTQDVDPFHB-QMMMGPOBSA-N -1 0 398.799 3.860 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nsc(-c3ccccc3)n2)c1C ZINC000559961787 932981765 /nfs/dbraw/zinc/98/17/65/932981765.db2.gz IJDLYEHWRTUEGR-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC(Cc2ccccc2C(F)(F)F)C1 ZINC001116641244 933680139 /nfs/dbraw/zinc/68/01/39/933680139.db2.gz FXFNOEWAUIVSPU-UHFFFAOYSA-N -1 0 380.322 3.634 20 5 GHBDRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(F)cc3C)n[nH]2)s1 ZINC000777936423 934227691 /nfs/dbraw/zinc/22/76/91/934227691.db2.gz ONRPDWNQXJWILK-UHFFFAOYSA-N -1 0 396.425 3.603 20 5 GHBDRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000829160473 935774812 /nfs/dbraw/zinc/77/48/12/935774812.db2.gz BCSDVYSRFNDLIK-UHFFFAOYSA-N -1 0 399.428 3.708 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1csc(N2CCCCC2)n1 ZINC001137825773 935809777 /nfs/dbraw/zinc/80/97/77/935809777.db2.gz ZMAIVRYPLCGFDF-UHFFFAOYSA-N -1 0 382.829 3.653 20 5 GHBDRM Nc1c(Br)cccc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001137826310 935809910 /nfs/dbraw/zinc/80/99/10/935809910.db2.gz BFOFQEPPJSMVLR-UHFFFAOYSA-N -1 0 386.589 3.551 20 5 GHBDRM CCc1nc(C)c([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])s1 ZINC000829864735 935873959 /nfs/dbraw/zinc/87/39/59/935873959.db2.gz XHJYWDNBIDUAMD-UHFFFAOYSA-N -1 0 379.822 3.515 20 5 GHBDRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1C ZINC000829902542 935879796 /nfs/dbraw/zinc/87/97/96/935879796.db2.gz JBFFTBJIZFICLO-QMMMGPOBSA-N -1 0 390.824 3.664 20 5 GHBDRM CC(C)(C)Cn1c(=O)[nH]c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])c21 ZINC001138012962 935927448 /nfs/dbraw/zinc/92/74/48/935927448.db2.gz AAKQGQZTEGDDED-UHFFFAOYSA-N -1 0 384.392 3.654 20 5 GHBDRM O=C([O-])C[C@@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC001594990601 951042238 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ZCRABFPKTDLXNN-GFCCVEGCSA-N -1 0 387.392 3.963 20 5 GHBDRM CC(C)Oc1cc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC001591751661 975807743 /nfs/dbraw/zinc/80/77/43/975807743.db2.gz YPTSTIAWUZWJEE-WMZOPIPTSA-N -1 0 398.415 3.813 20 5 GHBDRM CC(C)n1cnnc1[C@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001592148126 977008198 /nfs/dbraw/zinc/00/81/98/977008198.db2.gz CQEKMBAYRHJZPW-NSHDSACASA-N -1 0 393.831 3.503 20 5 GHBDRM C[C@H](CCCc1ccccc1)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001592491828 978284773 /nfs/dbraw/zinc/28/47/73/978284773.db2.gz NRZGXMNSBAMQFE-VFNWGFHPSA-N -1 0 384.432 3.670 20 5 GHBDRM CC[C@@](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC001595153241 979650916 /nfs/dbraw/zinc/65/09/16/979650916.db2.gz AZTSSMGJGHHYOL-SFHVURJKSA-N -1 0 391.811 3.802 20 5 GHBDRM C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001592908478 979862475 /nfs/dbraw/zinc/86/24/75/979862475.db2.gz ADTADDHCQHTRRY-LBPRGKRZSA-N -1 0 379.372 3.659 20 5 GHBDRM CC[C@](NC(=O)Cc1cccc([N+](=O)[O-])c1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595242520 980166042 /nfs/dbraw/zinc/16/60/42/980166042.db2.gz AQQPUCLONWUQNS-LJQANCHMSA-N -1 0 390.823 3.605 20 5 GHBDRM CCCC[C@@H](SCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC001595654502 982040994 /nfs/dbraw/zinc/04/09/94/982040994.db2.gz CULMQLORQDEKFD-GFCCVEGCSA-N -1 0 394.371 3.929 20 5 GHBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001595791621 982590224 /nfs/dbraw/zinc/59/02/24/982590224.db2.gz FNFNCQTVHTUHOD-SGTLLEGYSA-N -1 0 380.466 3.670 20 5 GHBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O ZINC001595791875 982590775 /nfs/dbraw/zinc/59/07/75/982590775.db2.gz IVZUXVJQUUEEDB-UHFFFAOYSA-N -1 0 391.405 3.538 20 5 GHBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC001595792200 982591569 /nfs/dbraw/zinc/59/15/69/982591569.db2.gz OUORAIJKDXNLDU-UHFFFAOYSA-N -1 0 378.406 3.708 20 5 GHBDRM C[C@H](OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)[O-])cc1 ZINC001599906692 984932537 /nfs/dbraw/zinc/93/25/37/984932537.db2.gz UZHBIHBOEHFWLK-LBPRGKRZSA-N -1 0 395.371 3.612 20 5 GHBDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001594569831 986383847 /nfs/dbraw/zinc/38/38/47/986383847.db2.gz ROASMSYDEACRET-AWEZNQCLSA-N -1 0 392.415 3.556 20 5 GHBDRM CCOc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)cc1[N+](=O)[O-] ZINC001597062354 986554855 /nfs/dbraw/zinc/55/48/55/986554855.db2.gz UWQGGRJIUIBLMY-UHFFFAOYSA-N -1 0 379.394 3.524 20 5 GHBDRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC001589532061 987210040 /nfs/dbraw/zinc/21/00/40/987210040.db2.gz NLKCWPGOLRZDAR-ZETCQYMHSA-N -1 0 399.222 3.859 20 5 GHBDRM CC(C)(C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O)c1ccc([N+](=O)[O-])cc1F ZINC001589579772 987359429 /nfs/dbraw/zinc/35/94/29/987359429.db2.gz KMCBEZCOCKZZBP-UHFFFAOYSA-N -1 0 396.758 3.707 20 5 GHBDRM CC[C@@H](NC(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC001597286132 987365011 /nfs/dbraw/zinc/36/50/11/987365011.db2.gz MYXJELYAGUQVOI-GOSISDBHSA-N -1 0 383.404 3.512 20 5 GHBDRM CC[C@H](NC(=O)NCCCCC1(C(=O)[O-])CCC1)c1cccc([N+](=O)[O-])c1 ZINC001597336669 987475467 /nfs/dbraw/zinc/47/54/67/987475467.db2.gz RRKDQLOYACLPPU-INIZCTEOSA-N -1 0 377.441 3.770 20 5 GHBDRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001597464279 987895901 /nfs/dbraw/zinc/89/59/01/987895901.db2.gz GUWREXJVTCZMSN-UHFFFAOYSA-N -1 0 393.193 3.870 20 5 GHBDRM CC(C)(C)OC(=O)C1CCC(Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001589859984 988422534 /nfs/dbraw/zinc/42/25/34/988422534.db2.gz CFCXAHOJSAHEOD-UHFFFAOYSA-N -1 0 378.425 3.534 20 5 GHBDRM C[C@@H](NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001599840363 988815951 /nfs/dbraw/zinc/81/59/51/988815951.db2.gz QJSMZUYRFUXWBN-MRVPVSSYSA-N -1 0 381.747 3.968 20 5 GHBDRM 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AIKSSLYJXFUTPR-LBPRGKRZSA-N -1 0 398.337 3.907 20 5 GHBDRM CON(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCCOc2ccccc21 ZINC001546023512 1060601067 /nfs/dbraw/zinc/60/10/67/1060601067.db2.gz GMVGETSKJFXXPM-AWEZNQCLSA-N -1 0 392.795 3.871 20 5 GHBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(Br)cc1F ZINC001450829958 1060700929 /nfs/dbraw/zinc/70/09/29/1060700929.db2.gz BLXWITNOGTXIFF-MRVPVSSYSA-N -1 0 383.173 3.693 20 5 GHBDRM O=C(Nc1ccc(Oc2ccnc(Cl)n2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001451653207 1060809219 /nfs/dbraw/zinc/80/92/19/1060809219.db2.gz IBUGGIDGILRRAQ-UHFFFAOYSA-N -1 0 386.751 3.788 20 5 GHBDRM O=C(N[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC001452146942 1060905777 /nfs/dbraw/zinc/90/57/77/1060905777.db2.gz DCGMNWLPPMPIFN-HNNXBMFYSA-N -1 0 397.284 3.954 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCO[C@@H](c2ccccc2)CC1 ZINC001347617962 1062529341 /nfs/dbraw/zinc/52/93/41/1062529341.db2.gz CJSPENBTNJFMCH-MRXNPFEDSA-N -1 0 376.796 3.558 20 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Cc1cc2c(o1)CC(C)(C)C[C@@H]2[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001474839665 1074587647 /nfs/dbraw/zinc/58/76/47/1074587647.db2.gz PGSUWHMPOOQXSG-LBPRGKRZSA-N -1 0 384.479 3.858 20 5 GHBDRM Cc1ncc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])s1 ZINC001475566104 1074915841 /nfs/dbraw/zinc/91/58/41/1074915841.db2.gz XQTBYDXJHYDKNH-ZCFIWIBFSA-N -1 0 396.277 3.706 20 5 GHBDRM CC(C)(CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000736321797 599800347 /nfs/dbraw/zinc/80/03/47/599800347.db2.gz HJJTTZQLBWCABY-UHFFFAOYSA-N -1 0 376.796 3.654 20 5 GHBDRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000738335102 599800724 /nfs/dbraw/zinc/80/07/24/599800724.db2.gz APUCDQOPBNHRPO-UHFFFAOYSA-N -1 0 398.293 3.795 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000736435619 599828474 /nfs/dbraw/zinc/82/84/74/599828474.db2.gz JMYQJQHEBIDUSL-CQSZACIVSA-N -1 0 395.481 3.605 20 5 GHBDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000738201420 599849474 /nfs/dbraw/zinc/84/94/74/599849474.db2.gz QMGMGGRGALKDGQ-DPTHPHEISA-N -1 0 386.429 3.662 20 5 GHBDRM O=C([O-])CSCc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000739871902 599922895 /nfs/dbraw/zinc/92/28/95/599922895.db2.gz RQNPHQCTPKUBOD-UHFFFAOYSA-N -1 0 380.809 3.818 20 5 GHBDRM Cc1oc(-c2ccsc2)nc1COC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738387264 599943902 /nfs/dbraw/zinc/94/39/02/599943902.db2.gz AERBQXHXFFNSOD-UHFFFAOYSA-N -1 0 388.357 3.675 20 5 GHBDRM O=C([O-])CCSCc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000739754310 600068309 /nfs/dbraw/zinc/06/83/09/600068309.db2.gz PDZMYXLYSFZQIA-RMKNXTFCSA-N -1 0 386.429 3.955 20 5 GHBDRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000238129675 600167140 /nfs/dbraw/zinc/16/71/40/600167140.db2.gz SBMQRUSDDRPWHC-UHFFFAOYSA-N -1 0 398.749 3.644 20 5 GHBDRM CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(C)(C)C(=O)[O-] ZINC000485390322 600171904 /nfs/dbraw/zinc/17/19/04/600171904.db2.gz SWDJWESCCSTAJP-UHFFFAOYSA-N -1 0 392.795 3.976 20 5 GHBDRM O=C([O-])NCCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000739974240 600359815 /nfs/dbraw/zinc/35/98/15/600359815.db2.gz VXHGEBMALWRRDX-UHFFFAOYSA-N -1 0 396.808 3.824 20 5 GHBDRM O=C([O-])c1cc(OCC(=O)N[C@@H](c2ccccc2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000739328693 600442372 /nfs/dbraw/zinc/44/23/72/600442372.db2.gz MFJDCOBGFDAOHA-FQEVSTJZSA-N -1 0 398.415 3.720 20 5 GHBDRM O=C([O-])c1cc(OCc2coc(-c3ccc(F)c(F)c3)n2)ccc1[N+](=O)[O-] ZINC000740088765 600445377 /nfs/dbraw/zinc/44/53/77/600445377.db2.gz XZMMTVIYIRTVRQ-UHFFFAOYSA-N -1 0 376.271 3.805 20 5 GHBDRM C[C@@H](Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000736702738 600462482 /nfs/dbraw/zinc/46/24/82/600462482.db2.gz DYLQWMYWHIHEAN-SECBINFHSA-N -1 0 398.293 3.718 20 5 GHBDRM O=C([O-])Nc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000738663095 600528919 /nfs/dbraw/zinc/52/89/19/600528919.db2.gz HMOPAQBZQYHTGW-UHFFFAOYSA-N -1 0 395.165 3.804 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)cc([N+](=O)[O-])c1 ZINC000740089496 600540236 /nfs/dbraw/zinc/54/02/36/600540236.db2.gz AHBHGZICHZYZKA-UHFFFAOYSA-N -1 0 377.715 3.819 20 5 GHBDRM O=C([O-])C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(Cl)c1 ZINC000776678402 600804210 /nfs/dbraw/zinc/80/42/10/600804210.db2.gz QLMRPKCFWCOXJQ-INIZCTEOSA-N -1 0 387.779 3.675 20 5 GHBDRM CO[C@@H](CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000831520094 600819379 /nfs/dbraw/zinc/81/93/79/600819379.db2.gz TXWVKQQPPJBSSI-AWEZNQCLSA-N -1 0 395.755 3.654 20 5 GHBDRM O=C([O-])/C=C\c1ccc(NCCc2ccn(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1 ZINC000833198316 600822200 /nfs/dbraw/zinc/82/22/00/600822200.db2.gz YFORXQDGVODMOS-WAPJZHGLSA-N -1 0 396.378 3.672 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc1[N+](=O)[O-] ZINC000736297129 601041319 /nfs/dbraw/zinc/04/13/19/601041319.db2.gz OLJLZRDULKXUMJ-UHFFFAOYSA-N -1 0 389.433 3.856 20 5 GHBDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000826044946 601170559 /nfs/dbraw/zinc/17/05/59/601170559.db2.gz NCHATAIOMBDODG-MEBBXXQBSA-N -1 0 396.321 3.805 20 5 GHBDRM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])CC3 ZINC000833325844 601395011 /nfs/dbraw/zinc/39/50/11/601395011.db2.gz ZQNCWVCOEJFJKP-UHFFFAOYSA-N -1 0 399.790 3.626 20 5 GHBDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000832777376 601447905 /nfs/dbraw/zinc/44/79/05/601447905.db2.gz KAFYPGXPRLNTLP-CQSZACIVSA-N -1 0 394.836 3.916 20 5 GHBDRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000830390498 601465431 /nfs/dbraw/zinc/46/54/31/601465431.db2.gz KJGUKAGJIWYYMC-UHFFFAOYSA-N -1 0 395.389 3.536 20 5 GHBDRM O=C([O-])Nc1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000833281895 602020860 /nfs/dbraw/zinc/02/08/60/602020860.db2.gz QRBRNZOBVBQUHO-UHFFFAOYSA-N -1 0 397.309 3.676 20 5 GHBDRM Cc1ccc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c(O[C@@H]2CCOC2)c1 ZINC000832934868 602150088 /nfs/dbraw/zinc/15/00/88/602150088.db2.gz TUIFTECELODGOX-BBOMDTFKSA-N -1 0 398.415 3.781 20 5 GHBDRM Cc1cc(NCc2ccc(N3CCCCCC3)nc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568095036 602313604 /nfs/dbraw/zinc/31/36/04/602313604.db2.gz WXZOUTQUCWFSCT-UHFFFAOYSA-N -1 0 384.436 3.989 20 5 GHBDRM O=C([O-])N1CCc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2C1 ZINC000740465360 602489215 /nfs/dbraw/zinc/48/92/15/602489215.db2.gz GFPAVZMMRYFXHO-UHFFFAOYSA-N -1 0 375.768 3.537 20 5 GHBDRM O=C([O-])N1CCc2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2C1 ZINC000740465461 602543703 /nfs/dbraw/zinc/54/37/03/602543703.db2.gz JHFAUUCAEZWVCI-UHFFFAOYSA-N -1 0 375.768 3.537 20 5 GHBDRM C[C@H](NC(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2)c1cccc([N+](=O)[O-])c1 ZINC000738992262 602609286 /nfs/dbraw/zinc/60/92/86/602609286.db2.gz YYOXWTJRMZIACD-LBPRGKRZSA-N -1 0 384.392 3.514 20 5 GHBDRM COc1ccc(C(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000739880384 602643464 /nfs/dbraw/zinc/64/34/64/602643464.db2.gz BXKRUUKXIORABE-UHFFFAOYSA-N -1 0 399.281 3.964 20 5 GHBDRM COc1cc(C(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000739853490 602643585 /nfs/dbraw/zinc/64/35/85/602643585.db2.gz SGJSHCASAKWXAO-UHFFFAOYSA-N -1 0 399.281 3.964 20 5 GHBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000740238876 602643736 /nfs/dbraw/zinc/64/37/36/602643736.db2.gz NRRAXMVKOGSHHF-UHFFFAOYSA-N -1 0 384.270 3.659 20 5 GHBDRM CN(Cc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1)C(=O)[O-] ZINC000739707471 603006673 /nfs/dbraw/zinc/00/66/73/603006673.db2.gz SDHOZWSXGKXSHU-UHFFFAOYSA-N -1 0 377.784 3.539 20 5 GHBDRM O=C([O-])N1CCC(N(C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2F)CC1 ZINC000740499760 603433690 /nfs/dbraw/zinc/43/36/90/603433690.db2.gz JOWOGZDJDQOPEN-UHFFFAOYSA-N -1 0 393.396 3.585 20 5 GHBDRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000825434961 603770108 /nfs/dbraw/zinc/77/01/08/603770108.db2.gz ZHTIPNHCMKVJDO-JTQLQIEISA-N -1 0 392.799 3.899 20 5 GHBDRM C[C@@H](Sc1ccccc1C(=O)N1CCCc2c([N+](=O)[O-])cccc21)C(=O)[O-] ZINC000833545178 604489576 /nfs/dbraw/zinc/48/95/76/604489576.db2.gz FGPGHHVTVUXYMW-GFCCVEGCSA-N -1 0 386.429 3.753 20 5 GHBDRM Cc1cc([C@@H](C)OC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])oc1C(=O)[O-] ZINC000832958248 604566026 /nfs/dbraw/zinc/56/60/26/604566026.db2.gz RCJBUZODTVICNM-GFCCVEGCSA-N -1 0 377.349 3.576 20 5 GHBDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000514950816 604649473 /nfs/dbraw/zinc/64/94/73/604649473.db2.gz JDWICBLKYARCEC-QGZVFWFLSA-N -1 0 396.403 3.683 20 5 GHBDRM Cc1cc(N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891342 604796663 /nfs/dbraw/zinc/79/66/63/604796663.db2.gz PDJLORFSOHHPBV-QAPCUYQASA-N -1 0 388.395 3.833 20 5 GHBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000827058540 604849802 /nfs/dbraw/zinc/84/98/02/604849802.db2.gz IZRZQLUJBVNAQQ-UHFFFAOYSA-N -1 0 377.324 3.576 20 5 GHBDRM CSc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000540714335 604853590 /nfs/dbraw/zinc/85/35/90/604853590.db2.gz FUGPTHSVYSLCKS-UHFFFAOYSA-N -1 0 396.808 3.686 20 5 GHBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-])C1CCCCCC1 ZINC000833686574 605001180 /nfs/dbraw/zinc/00/11/80/605001180.db2.gz YWSZHENWZDOSPA-UHFFFAOYSA-N -1 0 380.466 3.956 20 5 GHBDRM C[C@H]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC000833607659 605003618 /nfs/dbraw/zinc/00/36/18/605003618.db2.gz FOMDOXVAGVXWKH-STQMWFEESA-N -1 0 380.466 3.718 20 5 GHBDRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000833521520 605122100 /nfs/dbraw/zinc/12/21/00/605122100.db2.gz ORMIDIISGCIZQL-SECBINFHSA-N -1 0 395.318 3.777 20 5 GHBDRM C/C(=C\C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000833381104 605336736 /nfs/dbraw/zinc/33/67/36/605336736.db2.gz AWKSRDBZIMZVDM-JLHYYAGUSA-N -1 0 388.807 3.765 20 5 GHBDRM C/C(=C\C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833382330 605363518 /nfs/dbraw/zinc/36/35/18/605363518.db2.gz MDNSOIFEVOSBAP-JKIKYLSZSA-N -1 0 382.416 3.966 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)s2)c(F)c1 ZINC000126849559 834845016 /nfs/dbraw/zinc/84/50/16/834845016.db2.gz HWTHLGKJPUFNDL-UHFFFAOYSA-N -1 0 379.394 3.658 20 5 GHBDRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1C ZINC000536113200 834949414 /nfs/dbraw/zinc/94/94/14/834949414.db2.gz LLKATXLBTGRERJ-UHFFFAOYSA-N -1 0 382.825 3.868 20 5 GHBDRM Cc1cc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000584055619 835525034 /nfs/dbraw/zinc/52/50/34/835525034.db2.gz KQBULYAZRGFTMY-UHFFFAOYSA-N -1 0 386.248 3.923 20 5 GHBDRM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000540849791 835796143 /nfs/dbraw/zinc/79/61/43/835796143.db2.gz NXKUHPLRWWLFMN-RNCFNFMXSA-N -1 0 389.795 3.801 20 5 GHBDRM CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1nc(C(F)(F)F)cs1 ZINC000158101980 836144769 /nfs/dbraw/zinc/14/47/69/836144769.db2.gz PKYIOCSYUOPZSO-VIFPVBQESA-N -1 0 375.328 3.657 20 5 GHBDRM O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001143538063 844159307 /nfs/dbraw/zinc/15/93/07/844159307.db2.gz LLOVDEGMYKBVOB-UHFFFAOYSA-N -1 0 388.383 3.774 20 5 GHBDRM COCc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000161589465 836892648 /nfs/dbraw/zinc/89/26/48/836892648.db2.gz WNJKZBZMHCMJLX-UHFFFAOYSA-N -1 0 390.339 3.561 20 5 GHBDRM CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000414021674 837147301 /nfs/dbraw/zinc/14/73/01/837147301.db2.gz QECVUTXZBDUTQS-CQSZACIVSA-N -1 0 399.447 3.797 20 5 GHBDRM CCc1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])sc1C ZINC000414435800 838070634 /nfs/dbraw/zinc/07/06/34/838070634.db2.gz FUPQLHAMVQDQKR-UHFFFAOYSA-N -1 0 395.384 3.742 20 5 GHBDRM COc1ccc2nc([N-]S(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)sc2c1 ZINC000481040357 838457651 /nfs/dbraw/zinc/45/76/51/838457651.db2.gz ACVHVIAWLXWTHF-UHFFFAOYSA-N -1 0 393.446 3.631 20 5 GHBDRM Cc1noc2nc(C3CC3)cc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])c12 ZINC000180785578 838572510 /nfs/dbraw/zinc/57/25/10/838572510.db2.gz XGMDFEHIUVWOMW-UHFFFAOYSA-N -1 0 388.767 3.928 20 5 GHBDRM O=c1[nH]c(C(Cl)=Cc2ccc([N+](=O)[O-])c([O-])c2)nc2cc(Cl)ccc12 ZINC000748148606 838892453 /nfs/dbraw/zinc/89/24/53/838892453.db2.gz VGLVEEWHSCHUMF-VZUCSPMQSA-N -1 0 378.171 3.927 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(Cl)cc1-n1cccn1 ZINC000471581763 839621332 /nfs/dbraw/zinc/62/13/32/839621332.db2.gz KNMSEOQNFQJHLC-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])cc2)co1 ZINC000610799511 844536742 /nfs/dbraw/zinc/53/67/42/844536742.db2.gz HFVZJBLZSMSMBG-UHFFFAOYSA-N -1 0 387.417 3.976 20 5 GHBDRM Cc1nc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)oc1-c1ccc(Cl)cc1 ZINC000476991845 840431536 /nfs/dbraw/zinc/43/15/36/840431536.db2.gz DEMYUFJYCCEOFA-UHFFFAOYSA-N -1 0 387.779 3.847 20 5 GHBDRM Cc1cc(NCCN2CCc3c(Cl)cccc3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000580957203 840520682 /nfs/dbraw/zinc/52/06/82/840520682.db2.gz NJLSSPOEDPFVOH-UHFFFAOYSA-N -1 0 389.839 3.725 20 5 GHBDRM Cc1c(Br)cccc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000171013013 861234875 /nfs/dbraw/zinc/23/48/75/861234875.db2.gz GKUHOFQESIAKOX-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1cc(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)cc([N+](=O)[O-])c1C ZINC000548267924 842343705 /nfs/dbraw/zinc/34/37/05/842343705.db2.gz SWYZZYWIQPHWRY-LBPRGKRZSA-N -1 0 392.433 3.591 20 5 GHBDRM Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000182057848 842520079 /nfs/dbraw/zinc/52/00/79/842520079.db2.gz RITUIIURPNFDPC-UHFFFAOYSA-N -1 0 382.338 3.856 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1F ZINC001211689007 842736425 /nfs/dbraw/zinc/73/64/25/842736425.db2.gz 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O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC(c2ccc(O)cc2)CC1 ZINC000574042106 845150602 /nfs/dbraw/zinc/15/06/02/845150602.db2.gz DTNYCMZOHLWPJS-UHFFFAOYSA-N -1 0 376.796 3.679 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262822910 845610562 /nfs/dbraw/zinc/61/05/62/845610562.db2.gz BRYXEYFGRNSEAR-ZFWWWQNUSA-N -1 0 394.493 3.916 20 5 GHBDRM O=C(CSCC(=O)c1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000538872574 845675505 /nfs/dbraw/zinc/67/55/05/845675505.db2.gz HUYRMGAUDLZMAN-UHFFFAOYSA-N -1 0 380.809 3.508 20 5 GHBDRM CC[C@@H](C)[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000237045654 846833247 /nfs/dbraw/zinc/83/32/47/846833247.db2.gz QEHCDPKLMUNPIV-PIGZYNQJSA-N -1 0 396.403 3.687 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000016099625 847321094 /nfs/dbraw/zinc/32/10/94/847321094.db2.gz SJGJEGOKOZJACD-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM CCCOc1ccc([C@@H](C)Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1OC ZINC000583027324 848907312 /nfs/dbraw/zinc/90/73/12/848907312.db2.gz KJNPNEOXUWBPCE-GFCCVEGCSA-N -1 0 389.408 3.967 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(Cl)c(OC(F)F)c1 ZINC000504019956 849847280 /nfs/dbraw/zinc/84/72/80/849847280.db2.gz AGIJWVIQCTXCNF-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM COCc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000424080378 850191627 /nfs/dbraw/zinc/19/16/27/850191627.db2.gz IBOMSIUYKCSKIX-UHFFFAOYSA-N -1 0 384.841 3.812 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cn1 ZINC000506664706 850350695 /nfs/dbraw/zinc/35/06/95/850350695.db2.gz XLZFTUMXCKPIOW-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000031669283 850456317 /nfs/dbraw/zinc/45/63/17/850456317.db2.gz BBNYOHIZQIHEBI-UHFFFAOYSA-N -1 0 397.840 3.644 20 5 GHBDRM Cc1ccc(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c(OC[C@@H]2CCOC2)c1 ZINC000515487879 851097577 /nfs/dbraw/zinc/09/75/77/851097577.db2.gz ZZIHYXXKTDHGDL-CQSZACIVSA-N -1 0 386.404 3.629 20 5 GHBDRM CCCC[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000488725909 851714890 /nfs/dbraw/zinc/71/48/90/851714890.db2.gz NTZNOAQNHARJJC-INIZCTEOSA-N -1 0 396.440 3.952 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000473765422 851879535 /nfs/dbraw/zinc/87/95/35/851879535.db2.gz ONQXIOORBDPZCL-UHFFFAOYSA-N -1 0 390.339 3.911 20 5 GHBDRM COc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1OCc1ccncc1 ZINC000436624916 852119317 /nfs/dbraw/zinc/11/93/17/852119317.db2.gz BRRSBVNMOMDPFB-UHFFFAOYSA-N -1 0 395.371 3.535 20 5 GHBDRM COc1cc(OC)cc(-c2cccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)n2)c1 ZINC000436653897 852143602 /nfs/dbraw/zinc/14/36/02/852143602.db2.gz GTBJIQSJBKSSKZ-UHFFFAOYSA-N -1 0 395.371 3.632 20 5 GHBDRM O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436772554 852305209 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CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c2ccccc21 ZINC000593858925 862423948 /nfs/dbraw/zinc/42/39/48/862423948.db2.gz DAEDKDCXTUSQLA-DOTOQJQBSA-N -1 0 398.415 3.601 20 5 GHBDRM CCCN(CCC)C(=O)c1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000507709571 853211371 /nfs/dbraw/zinc/21/13/71/853211371.db2.gz ULJFCINHKMKYAL-UHFFFAOYSA-N -1 0 385.420 3.815 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000491068133 853435361 /nfs/dbraw/zinc/43/53/61/853435361.db2.gz SXQPUOVZPOSAFV-UHFFFAOYSA-N -1 0 396.730 3.948 20 5 GHBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1csc(-c2ccccc2)n1 ZINC000586755939 853524036 /nfs/dbraw/zinc/52/40/36/853524036.db2.gz IHNHYXSRJMMQAP-UHFFFAOYSA-N -1 0 375.431 3.660 20 5 GHBDRM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])cc2)n1 ZINC000163629148 862499832 /nfs/dbraw/zinc/49/98/32/862499832.db2.gz IYYFCGQYQZESNN-UHFFFAOYSA-N -1 0 398.444 3.778 20 5 GHBDRM C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000571286578 853852818 /nfs/dbraw/zinc/85/28/18/853852818.db2.gz LVKRCVOUOKFWPM-MEDUHNTESA-N -1 0 376.796 3.556 20 5 GHBDRM CCOc1ccccc1N=c1[n-]nc(Sc2nccc(C)c2[N+](=O)[O-])s1 ZINC000572395817 854476618 /nfs/dbraw/zinc/47/66/18/854476618.db2.gz ZUJHBWXXTYBPPS-UHFFFAOYSA-N -1 0 389.462 3.865 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000542752441 855623340 /nfs/dbraw/zinc/62/33/40/855623340.db2.gz XDRICYAMYRASOQ-UHFFFAOYSA-N -1 0 399.794 3.869 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(Oc2cnccn2)c1 ZINC000542749499 855624924 /nfs/dbraw/zinc/62/49/24/855624924.db2.gz HVGQEDPFPGSCNI-UHFFFAOYSA-N -1 0 386.751 3.788 20 5 GHBDRM COC1(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCC(c2ccccc2)CC1 ZINC000554021510 855762887 /nfs/dbraw/zinc/76/28/87/855762887.db2.gz FMCIVGUKFVEBIL-UHFFFAOYSA-N -1 0 384.432 3.773 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000733123021 862750023 /nfs/dbraw/zinc/75/00/23/862750023.db2.gz NGBUGMJDXNNQEW-UHFFFAOYSA-N -1 0 382.825 3.838 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2nc3c(cc(C)cc3C)s2)c([N+](=O)[O-])c1 ZINC000591570921 856156836 /nfs/dbraw/zinc/15/68/36/856156836.db2.gz WPVQXTCVAOXICT-UHFFFAOYSA-N -1 0 393.446 3.631 20 5 GHBDRM CCC(CC)(CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000485364949 856410542 /nfs/dbraw/zinc/41/05/42/856410542.db2.gz AZNNYJVYZDHWIM-UHFFFAOYSA-N -1 0 387.230 3.885 20 5 GHBDRM O=C(Nc1nnc(SCc2ccccc2)s1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427910227 856868631 /nfs/dbraw/zinc/86/86/31/856868631.db2.gz ALIKZIHBBHPJQP-UHFFFAOYSA-N -1 0 388.430 3.697 20 5 GHBDRM Cc1ccsc1-c1nsc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000129045810 856872379 /nfs/dbraw/zinc/87/23/79/856872379.db2.gz NSISLTAARQQSAS-UHFFFAOYSA-N -1 0 396.475 3.592 20 5 GHBDRM CC(C)(C)OC(=O)C1(C)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000592873948 857119329 /nfs/dbraw/zinc/11/93/29/857119329.db2.gz PHALKZWYBPGINF-UHFFFAOYSA-N -1 0 398.843 3.538 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)c(C)n1 ZINC000520908350 857378919 /nfs/dbraw/zinc/37/89/19/857378919.db2.gz ORWIKXLUCHSKHA-UHFFFAOYSA-N -1 0 399.428 3.775 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc(N3CCC(C)(C(=O)[O-])CC3)c([N+](=O)[O-])c2)cc1 ZINC000592419989 857382737 /nfs/dbraw/zinc/38/27/37/857382737.db2.gz UOODHQFUMUGMIH-UHFFFAOYSA-N -1 0 397.431 3.847 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000174985842 857419061 /nfs/dbraw/zinc/41/90/61/857419061.db2.gz GMQASVQZHMMNGP-MRXNPFEDSA-N -1 0 396.321 3.533 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c(C(F)(F)F)c1 ZINC000161587422 857681172 /nfs/dbraw/zinc/68/11/72/857681172.db2.gz AJGSPJFRZZAECZ-UHFFFAOYSA-N -1 0 397.334 3.963 20 5 GHBDRM Cc1occc1-c1cc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)no1 ZINC000486567578 857870195 /nfs/dbraw/zinc/87/01/95/857870195.db2.gz PMVMPMGZDXBNPW-UHFFFAOYSA-N -1 0 377.378 3.569 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC)c2ncccc12 ZINC000486638997 857930306 /nfs/dbraw/zinc/93/03/06/857930306.db2.gz UBJHEZFRROBCCT-UHFFFAOYSA-N -1 0 387.417 3.515 20 5 GHBDRM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2O1 ZINC000442833807 858171542 /nfs/dbraw/zinc/17/15/42/858171542.db2.gz ILEIIXGJJWGQSK-MRXNPFEDSA-N -1 0 398.824 3.946 20 5 GHBDRM CC(C)[C@@H](CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000594459479 858197888 /nfs/dbraw/zinc/19/78/88/858197888.db2.gz ASZDRFBTDLZPET-CQSZACIVSA-N -1 0 388.445 3.833 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCc1cc(Cl)cc(Cl)c1 ZINC000521771989 858299690 /nfs/dbraw/zinc/29/96/90/858299690.db2.gz LAQSUMDVSOPARS-UHFFFAOYSA-N -1 0 393.223 3.562 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Br)cc1 ZINC000314009786 858369086 /nfs/dbraw/zinc/36/90/86/858369086.db2.gz KZNVRVIIKLFCAR-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM O=C([O-])c1cnc(NCc2ccccc2OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000592970112 858455318 /nfs/dbraw/zinc/45/53/18/858455318.db2.gz DSCHZLJQGHXIFS-UHFFFAOYSA-N -1 0 379.372 3.879 20 5 GHBDRM COc1cc(S[C@H](Cc2ccc(C)cc2)C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000575196611 858601619 /nfs/dbraw/zinc/60/16/19/858601619.db2.gz RGYRLKHRGFKIFO-QGZVFWFLSA-N -1 0 377.418 3.708 20 5 GHBDRM Cc1sc(CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000164745091 858681787 /nfs/dbraw/zinc/68/17/87/858681787.db2.gz SAMWLVUAJFEBHV-UHFFFAOYSA-N -1 0 383.429 3.705 20 5 GHBDRM CC(C)c1ccc(N2C(=O)C(=Cc3ccc([O-])c([N+](=O)[O-])c3)NC2=S)cc1 ZINC000212804237 859054008 /nfs/dbraw/zinc/05/40/08/859054008.db2.gz GWBOPGJRIJQUCO-DHDCSXOGSA-N -1 0 383.429 3.686 20 5 GHBDRM O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185104746 859356824 /nfs/dbraw/zinc/35/68/24/859356824.db2.gz JRHLRYMMPKFZCG-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM Cc1ccccc1-n1ccnc1SCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000483447052 859365233 /nfs/dbraw/zinc/36/52/33/859365233.db2.gz RXCQKIZINYLOCQ-UHFFFAOYSA-N -1 0 384.417 3.525 20 5 GHBDRM Cc1cc([N+](=O)[O-])cnc1Oc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000301961343 859546983 /nfs/dbraw/zinc/54/69/83/859546983.db2.gz QVNOVDCJBVOYDS-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc(OC)c1C(C)C ZINC000484073737 859788316 /nfs/dbraw/zinc/78/83/16/859788316.db2.gz JADXQURFFUEACP-UHFFFAOYSA-N -1 0 394.449 3.845 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000611555501 859804220 /nfs/dbraw/zinc/80/42/20/859804220.db2.gz PYMIHIMBKGXYRD-RKDXNWHRSA-N -1 0 386.248 3.503 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1C(F)(F)F ZINC000327917714 860019970 /nfs/dbraw/zinc/01/99/70/860019970.db2.gz KTJCDHBMUXEYDS-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000474437216 860098452 /nfs/dbraw/zinc/09/84/52/860098452.db2.gz HDPUPKCLZVTNSK-UHFFFAOYSA-N -1 0 376.731 3.531 20 5 GHBDRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000474446805 860115747 /nfs/dbraw/zinc/11/57/47/860115747.db2.gz POYBAKNKAUDQPK-UHFFFAOYSA-N -1 0 376.674 3.947 20 5 GHBDRM COC(=O)c1cc(C(C)C)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000060839410 860175082 /nfs/dbraw/zinc/17/50/82/860175082.db2.gz WMHNBJQMBKWNGB-UHFFFAOYSA-N -1 0 392.433 3.614 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000093929351 860376749 /nfs/dbraw/zinc/37/67/49/860376749.db2.gz JWLYNFULHMVYOT-UHFFFAOYSA-N -1 0 390.339 3.564 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(C)C)c(C)c1[N+](=O)[O-] ZINC000598715654 860526155 /nfs/dbraw/zinc/52/61/55/860526155.db2.gz ZUEBHFVQRVKTIT-UHFFFAOYSA-N -1 0 394.497 3.988 20 5 GHBDRM O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000022619633 861167541 /nfs/dbraw/zinc/16/75/41/861167541.db2.gz JKHIKPYIULCZKI-KRWDZBQOSA-N -1 0 389.839 3.521 20 5 GHBDRM CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)c12 ZINC000186011113 863708493 /nfs/dbraw/zinc/70/84/93/863708493.db2.gz RTRXXKIVBILTJL-UHFFFAOYSA-N -1 0 382.376 3.919 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(C)C)c1[N+](=O)[O-] ZINC000480218045 864281505 /nfs/dbraw/zinc/28/15/05/864281505.db2.gz CGXSBVUXMSRDEQ-UHFFFAOYSA-N -1 0 394.497 3.988 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000734736459 864425833 /nfs/dbraw/zinc/42/58/33/864425833.db2.gz FRDLXOHJNFQKNE-TZMCWYRMSA-N -1 0 382.482 3.561 20 5 GHBDRM CCCn1ccc2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3OC)ccc21 ZINC000063476117 864823206 /nfs/dbraw/zinc/82/32/06/864823206.db2.gz VLWKNCRNUYOXGL-UHFFFAOYSA-N -1 0 389.433 3.769 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2cc(Cl)ccc2s1 ZINC000608928052 865834789 /nfs/dbraw/zinc/83/47/89/865834789.db2.gz ZRQWVJPXHCBZPI-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM COCC[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000456309575 866403421 /nfs/dbraw/zinc/40/34/21/866403421.db2.gz ZDKWNSHXHGVFJE-CQSZACIVSA-N -1 0 398.337 3.827 20 5 GHBDRM O=C([N-]c1nnc(C(F)F)s1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000067551903 866572442 /nfs/dbraw/zinc/57/24/42/866572442.db2.gz STTKCPMZAYLUKX-UHFFFAOYSA-N -1 0 398.269 3.577 20 5 GHBDRM CSCCc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1 ZINC000742030528 867018982 /nfs/dbraw/zinc/01/89/82/867018982.db2.gz ZEUDJZCVELOBLZ-UHFFFAOYSA-N -1 0 384.454 3.749 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC(Cc2c(F)cccc2F)CC1 ZINC000456833572 867224987 /nfs/dbraw/zinc/22/49/87/867224987.db2.gz WLFPUYOGTWIGNI-UHFFFAOYSA-N -1 0 376.359 3.674 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000534789959 867495565 /nfs/dbraw/zinc/49/55/65/867495565.db2.gz TYLYAWHFNQHJQB-OLZOCXBDSA-N -1 0 377.194 3.805 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)cnc2C)cc1[N+](=O)[O-] ZINC000534793472 867500926 /nfs/dbraw/zinc/50/09/26/867500926.db2.gz UVWPNGZBUUBHHP-UHFFFAOYSA-N -1 0 399.428 3.775 20 5 GHBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000534941246 867801993 /nfs/dbraw/zinc/80/19/93/867801993.db2.gz RIIXHUJNBJYBNL-UHFFFAOYSA-N -1 0 386.589 3.672 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)cc1C ZINC000743262622 868036235 /nfs/dbraw/zinc/03/62/35/868036235.db2.gz SOKPHBBYQSKJKJ-UHFFFAOYSA-N -1 0 398.853 3.671 20 5 GHBDRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000479982679 868859576 /nfs/dbraw/zinc/85/95/76/868859576.db2.gz IDLRDRGSMCAXSQ-UHFFFAOYSA-N -1 0 388.449 3.772 20 5 GHBDRM CCn1cc(S(=O)(=O)[N-]c2c(C)cc(Cl)c3ccccc32)c([N+](=O)[O-])n1 ZINC000462351163 869279429 /nfs/dbraw/zinc/27/94/29/869279429.db2.gz FTHVOGRCPVSURH-UHFFFAOYSA-N -1 0 394.840 3.727 20 5 GHBDRM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000539933009 870031437 /nfs/dbraw/zinc/03/14/37/870031437.db2.gz WPNQJOQAHXLAKR-INIZCTEOSA-N -1 0 380.404 3.647 20 5 GHBDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000446637212 870128016 /nfs/dbraw/zinc/12/80/16/870128016.db2.gz JLUVRVWMIFRNOP-UHFFFAOYSA-N -1 0 382.463 3.743 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc(Cl)c2)c(C(F)(F)F)c1 ZINC000446972803 870831793 /nfs/dbraw/zinc/83/17/93/870831793.db2.gz WLVLQGZNDVQWDM-UHFFFAOYSA-N -1 0 394.758 3.746 20 5 GHBDRM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000525689864 871247701 /nfs/dbraw/zinc/24/77/01/871247701.db2.gz DACQKBKTGVHFKY-MRVPVSSYSA-N -1 0 395.289 3.873 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2scnc2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000539103265 871323292 /nfs/dbraw/zinc/32/32/92/871323292.db2.gz MWJXZYHHGYAMKE-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000447542534 871812271 /nfs/dbraw/zinc/81/22/71/871812271.db2.gz JKNSTPNPZOFCOZ-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM O=C([O-])c1cc(C(=O)N(Cc2ccco2)Cc2cccs2)cc([N+](=O)[O-])c1 ZINC000238159595 871855979 /nfs/dbraw/zinc/85/59/79/871855979.db2.gz 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ZINC000778567635 896828831 /nfs/dbraw/zinc/82/88/31/896828831.db2.gz RBGZQOTTXKGYHH-UHFFFAOYSA-N -1 0 376.365 3.702 20 5 GHBDRM Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001136363737 897457594 /nfs/dbraw/zinc/45/75/94/897457594.db2.gz HGWQFPCYWWCQNI-UHFFFAOYSA-N -1 0 391.811 3.653 20 5 GHBDRM COc1ccc(C2(CNC(=O)c3cc([N+](=O)[O-])ccc3[O-])CCCCC2)cc1 ZINC001136380803 897536162 /nfs/dbraw/zinc/53/61/62/897536162.db2.gz BRUHMKXSUXULJX-UHFFFAOYSA-N -1 0 384.432 3.941 20 5 GHBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2O)ccc1Cl ZINC000821123774 897725573 /nfs/dbraw/zinc/72/55/73/897725573.db2.gz GQYMWMATVKCODH-UHFFFAOYSA-N -1 0 396.730 3.773 20 5 GHBDRM Cc1ccc(O)c([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c1 ZINC000821185214 897752933 /nfs/dbraw/zinc/75/29/33/897752933.db2.gz LLSHDCYYSUDVIM-UHFFFAOYSA-N -1 0 377.205 3.716 20 5 GHBDRM COc1cc(F)ccc1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000821144618 897760368 /nfs/dbraw/zinc/76/03/68/897760368.db2.gz 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381.310 3.701 20 5 GHBDRM O=C(Cc1cnccc1C(F)(F)F)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000576846402 902298086 /nfs/dbraw/zinc/29/80/86/902298086.db2.gz JEOSBEFTTKGCPK-UHFFFAOYSA-N -1 0 375.690 3.549 20 5 GHBDRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000576927592 902367394 /nfs/dbraw/zinc/36/73/94/902367394.db2.gz VVDFFORRQATSQQ-BLLLJJGKSA-N -1 0 379.388 3.621 20 5 GHBDRM C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000577111972 902512508 /nfs/dbraw/zinc/51/25/08/902512508.db2.gz WJSCQWWSENXWTM-MGPLVRAMSA-N -1 0 394.786 3.695 20 5 GHBDRM Cn1c2ccccc2nc1-c1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 ZINC000303351497 914670521 /nfs/dbraw/zinc/67/05/21/914670521.db2.gz QVRYDNQOOIGWMN-UHFFFAOYSA-N -1 0 389.371 3.501 20 5 GHBDRM C[C@@](NC(=O)CCCCCc1cccs1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600873045 903033298 /nfs/dbraw/zinc/03/32/98/903033298.db2.gz FVHXTCLNGPPXIS-IBGZPJMESA-N -1 0 390.461 3.875 20 5 GHBDRM C[C@@](NC(=O)c1cccc(OC2CCCC2)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600873920 903035300 /nfs/dbraw/zinc/03/53/00/903035300.db2.gz HIZCMUASWWSNJJ-NRFANRHFSA-N -1 0 398.415 3.646 20 5 GHBDRM C[C@@](NC(=O)CC1CC(c2ccccc2)C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600875277 903036107 /nfs/dbraw/zinc/03/61/07/903036107.db2.gz LDOXYJNGVLTEML-LGHNAOJLSA-N -1 0 382.416 3.595 20 5 GHBDRM C[C@](NC(=O)CC1CC(c2ccccc2)C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600875278 903036245 /nfs/dbraw/zinc/03/62/45/903036245.db2.gz LDOXYJNGVLTEML-UTKRZORCSA-N -1 0 382.416 3.595 20 5 GHBDRM C[C@](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600882102 903043186 /nfs/dbraw/zinc/04/31/86/903043186.db2.gz QTHLXTVCUZPWQN-WHSLLNHNSA-N -1 0 382.416 3.595 20 5 GHBDRM O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001148454644 904074568 /nfs/dbraw/zinc/07/45/68/904074568.db2.gz FJSVWTVBUJUCHI-UHFFFAOYSA-N -1 0 390.808 3.648 20 5 GHBDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000773273285 904645983 /nfs/dbraw/zinc/64/59/83/904645983.db2.gz HSOSNCJXLNIWIR-UHFFFAOYSA-N -1 0 386.426 3.574 20 5 GHBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cc(-c2ccc(Cl)s2)on1 ZINC000193132506 908090938 /nfs/dbraw/zinc/09/09/38/908090938.db2.gz SWSHGRBZMZTFAU-UHFFFAOYSA-N -1 0 399.837 3.907 20 5 GHBDRM Cc1nc2ccc(Br)cn2c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176678534 908207022 /nfs/dbraw/zinc/20/70/22/908207022.db2.gz SGPHLBGSMAKIGW-UHFFFAOYSA-N -1 0 391.181 3.755 20 5 GHBDRM O=C([O-])CN(CCc1ccccc1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000901662645 921446968 /nfs/dbraw/zinc/44/69/68/921446968.db2.gz OOVOQQRMEAEATB-UHFFFAOYSA-N -1 0 399.266 3.548 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1 ZINC000194722889 908917284 /nfs/dbraw/zinc/91/72/84/908917284.db2.gz KBUYKBXKUMTRKT-UHFFFAOYSA-N -1 0 377.353 3.553 20 5 GHBDRM CCOc1ccc2nc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])sc2c1 ZINC000194721311 908918041 /nfs/dbraw/zinc/91/80/41/908918041.db2.gz AUSITFMOVSMFEK-UHFFFAOYSA-N -1 0 397.409 3.543 20 5 GHBDRM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc21 ZINC000195448434 909010392 /nfs/dbraw/zinc/01/03/92/909010392.db2.gz KFHMUZUSZBQHAH-UHFFFAOYSA-N -1 0 394.840 3.980 20 5 GHBDRM CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC001188688582 916112839 /nfs/dbraw/zinc/11/28/39/916112839.db2.gz GQUREIYYIOAOSV-LLVKDONJSA-N -1 0 388.795 3.894 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3s2)cs1 ZINC000119980175 919675203 /nfs/dbraw/zinc/67/52/03/919675203.db2.gz CPGDXVYIRLGODH-UHFFFAOYSA-N -1 0 375.840 3.720 20 5 GHBDRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000800836672 920510353 /nfs/dbraw/zinc/51/03/53/920510353.db2.gz QMIBZBDTCYDGPC-UHFFFAOYSA-N -1 0 384.841 3.983 20 5 GHBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000368377433 922633303 /nfs/dbraw/zinc/63/33/03/922633303.db2.gz PNHQLAJCAZLWNC-GOSISDBHSA-N -1 0 398.806 3.605 20 5 GHBDRM CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])sc2C1 ZINC000409535147 924734683 /nfs/dbraw/zinc/73/46/83/924734683.db2.gz JCEQHESVCWGALP-GFCCVEGCSA-N -1 0 395.506 3.984 20 5 GHBDRM CC[C@@H]1CC[C@@H](C)N1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000827751891 925946386 /nfs/dbraw/zinc/94/63/86/925946386.db2.gz IUJNZPJZTXROTN-ZYHUDNBSSA-N -1 0 378.816 3.543 20 5 GHBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000373511344 926209014 /nfs/dbraw/zinc/20/90/14/926209014.db2.gz XTHCHZWJWYSVSA-UHFFFAOYSA-N -1 0 376.419 3.826 20 5 GHBDRM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000466980200 928561843 /nfs/dbraw/zinc/56/18/43/928561843.db2.gz XFFQLMBCXCWXLA-UHFFFAOYSA-N -1 0 392.462 3.568 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)cc1[N+](=O)[O-] ZINC000753067225 929188706 /nfs/dbraw/zinc/18/87/06/929188706.db2.gz ZQOJSUGFFBWEGX-UHFFFAOYSA-N -1 0 398.824 3.865 20 5 GHBDRM CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000758471242 930055487 /nfs/dbraw/zinc/05/54/87/930055487.db2.gz NDASNXYOWKGDRF-QGZVFWFLSA-N -1 0 399.831 3.539 20 5 GHBDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000759453922 930374366 /nfs/dbraw/zinc/37/43/66/930374366.db2.gz FNNCAFCHVXWOSR-UHFFFAOYSA-N -1 0 396.321 3.624 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nn1-c1ccc(C)cc1 ZINC000557625123 931580518 /nfs/dbraw/zinc/58/05/18/931580518.db2.gz WDIKUTDJVNFCAO-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2cccnc2OC(C)C)c1 ZINC000783817040 931666468 /nfs/dbraw/zinc/66/64/68/931666468.db2.gz QJKDVYKHPANAFQ-UHFFFAOYSA-N -1 0 385.829 3.540 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2ccc(C)c3c[nH]nc32)c1 ZINC000783821253 931667918 /nfs/dbraw/zinc/66/79/18/931667918.db2.gz LREZMLQOEHHNQL-UHFFFAOYSA-N -1 0 380.813 3.542 20 5 GHBDRM COC(=O)Nc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1C ZINC000797817332 932415409 /nfs/dbraw/zinc/41/54/09/932415409.db2.gz VNZYJTYKFAJVLR-UHFFFAOYSA-N -1 0 399.812 3.536 20 5 GHBDRM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798279659 932590844 /nfs/dbraw/zinc/59/08/44/932590844.db2.gz RWOQXPFHLAULOH-AAEUAGOBSA-N -1 0 392.843 3.790 20 5 GHBDRM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000777824218 933633157 /nfs/dbraw/zinc/63/31/57/933633157.db2.gz ZWNWRISQBBHSIX-UHFFFAOYSA-N -1 0 383.769 3.593 20 5 GHBDRM CCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1OCC ZINC000777913529 934048794 /nfs/dbraw/zinc/04/87/94/934048794.db2.gz MXLFYBCCWZQYPU-UHFFFAOYSA-N -1 0 398.412 3.641 20 5 GHBDRM C[C@@](NC(=O)c1ccc(OC2CCCC2)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600880350 939806837 /nfs/dbraw/zinc/80/68/37/939806837.db2.gz ZGVKENMGXYNQPB-NRFANRHFSA-N -1 0 398.415 3.646 20 5 GHBDRM O=C([O-])C[C@@H]1CCCN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])C1 ZINC001594993883 951068611 /nfs/dbraw/zinc/06/86/11/951068611.db2.gz MVRNHGHFCGMRMQ-JTQLQIEISA-N -1 0 394.225 3.597 20 5 GHBDRM CC(C)Oc1cc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)ccc1[N+](=O)[O-] ZINC001603079962 972150277 /nfs/dbraw/zinc/15/02/77/972150277.db2.gz BRIUMIWHPWKCND-HNNXBMFYSA-N -1 0 384.388 3.601 20 5 GHBDRM COc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)cc1[N+](=O)[O-] ZINC001594080060 958249706 /nfs/dbraw/zinc/24/97/06/958249706.db2.gz KBEYSZMFWOETIU-VIFPVBQESA-N -1 0 390.417 3.740 20 5 GHBDRM CC(C)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000263518761 962700347 /nfs/dbraw/zinc/70/03/47/962700347.db2.gz FZWTUGZTCVIISJ-QZTJIDSGSA-N -1 0 382.416 3.659 20 5 GHBDRM Cc1ccc(-c2csc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC001605231261 972980559 /nfs/dbraw/zinc/98/05/59/972980559.db2.gz DEQNTCAYOIQGMJ-ZDUSSCGKSA-N -1 0 377.422 3.712 20 5 GHBDRM O=C([O-])C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC001606089535 973253308 /nfs/dbraw/zinc/25/33/08/973253308.db2.gz OOCYTPRQRXLRKD-INIZCTEOSA-N -1 0 397.431 3.534 20 5 GHBDRM O=C([O-])CCc1cccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC001606215983 973467172 /nfs/dbraw/zinc/46/71/72/973467172.db2.gz VQVSKIIQWGFEJO-UHFFFAOYSA-N -1 0 399.222 3.688 20 5 GHBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(OC3CCC(C)CC3)CC2)n1 ZINC000568636950 974675574 /nfs/dbraw/zinc/67/55/74/974675574.db2.gz FORBQVWDXLDXGT-UHFFFAOYSA-N -1 0 377.441 3.561 20 5 GHBDRM CC(C)Oc1cc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC001591751285 975802734 /nfs/dbraw/zinc/80/27/34/975802734.db2.gz MXCQVUGIRNPGPZ-UHFFFAOYSA-N -1 0 391.401 3.778 20 5 GHBDRM CC(C)Oc1cc(-c2nc(COc3cccc(C(=O)[O-])c3)no2)ccc1[N+](=O)[O-] ZINC001591752363 975814159 /nfs/dbraw/zinc/81/41/59/975814159.db2.gz XADQPOJWSGVXKJ-UHFFFAOYSA-N -1 0 399.359 3.709 20 5 GHBDRM CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c(C(=O)[O-])c1 ZINC001591788162 975969150 /nfs/dbraw/zinc/96/91/50/975969150.db2.gz PWFHPAYWVJRUGV-JKSUJKDBSA-N -1 0 384.388 3.822 20 5 GHBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CC(=O)[O-] ZINC001591829556 976093242 /nfs/dbraw/zinc/09/32/42/976093242.db2.gz QBDSDMVXTLAAPQ-UHFFFAOYSA-N -1 0 388.445 3.652 20 5 GHBDRM CC(C)c1nc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)sc1C(=O)[O-] ZINC001592022219 976718429 /nfs/dbraw/zinc/71/84/29/976718429.db2.gz MRVDGJULPHOTRD-QMMMGPOBSA-N -1 0 381.385 3.754 20 5 GHBDRM C[C@H](CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1 ZINC001592262007 977505335 /nfs/dbraw/zinc/50/53/35/977505335.db2.gz LFIAIXNTWLBQSW-SNVBAGLBSA-N -1 0 390.779 3.794 20 5 GHBDRM CC[C@@H](C)n1nc(NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cc1C ZINC001595024285 979127465 /nfs/dbraw/zinc/12/74/65/979127465.db2.gz SJQDNFYDHGGCGK-SECBINFHSA-N -1 0 375.385 3.721 20 5 GHBDRM CC[C@@H](C)n1ncc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1C1CC1 ZINC001595025721 979132242 /nfs/dbraw/zinc/13/22/42/979132242.db2.gz BQGWEVGJGJIENI-GFCCVEGCSA-N -1 0 388.424 3.715 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001595212636 980000535 /nfs/dbraw/zinc/00/05/35/980000535.db2.gz PKQDBKOVETVKED-CYBMUJFWSA-N -1 0 375.352 3.915 20 5 GHBDRM CC[C@H](c1nnc(Sc2ncc(C(=O)[O-])cc2[N+](=O)[O-])o1)c1ccccc1 ZINC001595364164 980790937 /nfs/dbraw/zinc/79/09/37/980790937.db2.gz OSALPJHGESXSGZ-LBPRGKRZSA-N -1 0 386.389 3.764 20 5 GHBDRM CC[C@H](C)C(=O)Nc1cccc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001594865160 982164140 /nfs/dbraw/zinc/16/41/40/982164140.db2.gz AWXRLOSGYQYSKE-ZDUSSCGKSA-N -1 0 385.420 3.819 20 5 GHBDRM CC[C@H](C)Oc1cc(-c2noc(-c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)n2)ccn1 ZINC001594995969 982897280 /nfs/dbraw/zinc/89/72/80/982897280.db2.gz BJGROWFFBPPQNF-JTQLQIEISA-N -1 0 384.348 3.582 20 5 GHBDRM CCCN(CCNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])C(=O)OC(C)(C)C ZINC001595883146 982900844 /nfs/dbraw/zinc/90/08/44/982900844.db2.gz SFVMJDUOOZIQPS-UHFFFAOYSA-N -1 0 381.429 3.660 20 5 GHBDRM 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ZINC001589270485 985961153 /nfs/dbraw/zinc/96/11/53/985961153.db2.gz NPTNEOBEXVZWBL-UHFFFAOYSA-N -1 0 393.193 3.870 20 5 GHBDRM C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC001589378370 986443164 /nfs/dbraw/zinc/44/31/64/986443164.db2.gz IMPKAEDWLNNALC-JLCFBVMHSA-N -1 0 392.411 3.968 20 5 GHBDRM C[C@H]1Cc2ccccc2N1CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001594623702 986678684 /nfs/dbraw/zinc/67/86/84/986678684.db2.gz IDJIMABVGMOOJZ-NSHDSACASA-N -1 0 375.812 3.810 20 5 GHBDRM CCOc1ccc(C[C@@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C(=O)[O-])cc1 ZINC001597095808 986697672 /nfs/dbraw/zinc/69/76/72/986697672.db2.gz PJSXMLGJGDGCAI-INIZCTEOSA-N -1 0 399.447 3.623 20 5 GHBDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC001589511734 987142039 /nfs/dbraw/zinc/14/20/39/987142039.db2.gz IBHANRGNNXPCMO-JTQLQIEISA-N -1 0 377.784 3.758 20 5 GHBDRM CC(C)(C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001589567019 987332262 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CC[C@H](C)C[C@H](C)NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001293944040 1044391453 /nfs/dbraw/zinc/39/14/53/1044391453.db2.gz VOWRRWJNEUYJAP-QWRGUYRKSA-N -1 0 380.832 3.694 20 5 GHBDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3nc4ccccc4nc23)cc1 ZINC001259177381 1044993634 /nfs/dbraw/zinc/99/36/34/1044993634.db2.gz UNGFGKTYQUIJCS-UHFFFAOYSA-N -1 0 377.425 3.786 20 5 GHBDRM O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001295615082 1045071785 /nfs/dbraw/zinc/07/17/85/1045071785.db2.gz UGWNMGZWKVJIBW-UHFFFAOYSA-N -1 0 386.147 3.697 20 5 GHBDRM CCOC(=O)c1cc2ccccc2cc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001297103300 1045451533 /nfs/dbraw/zinc/45/15/33/1045451533.db2.gz MLJARKBFSRHDLU-UHFFFAOYSA-N -1 0 380.356 3.883 20 5 GHBDRM O=C(N[C@H]1CCc2cc(F)c(F)c(F)c21)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001297972799 1045671362 /nfs/dbraw/zinc/67/13/62/1045671362.db2.gz WJBQLGAUMLIJLS-JTQLQIEISA-N -1 0 386.713 3.788 20 5 GHBDRM C[C@H](NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])c1ccccc1[N+](=O)[O-] ZINC001303300135 1047348878 /nfs/dbraw/zinc/34/88/78/1047348878.db2.gz FPHFVSGWMDVXOE-LBPRGKRZSA-N -1 0 380.356 3.864 20 5 GHBDRM C[C@@H](NC(=O)c1cc(Br)cc(F)c1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001303499115 1047406050 /nfs/dbraw/zinc/40/60/50/1047406050.db2.gz WCSHNFDQNKXRQV-MRVPVSSYSA-N -1 0 383.173 3.693 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCOC[C@H]1c1cccc(Br)c1 ZINC001307933067 1049705149 /nfs/dbraw/zinc/70/51/49/1049705149.db2.gz LVSZFGZIJSTTFC-KRWDZBQOSA-N -1 0 393.237 3.636 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)c1C ZINC001309357360 1050630817 /nfs/dbraw/zinc/63/08/17/1050630817.db2.gz MQRHZIXEUPRZGX-GFCCVEGCSA-N -1 0 382.404 3.857 20 5 GHBDRM Cc1ccc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1C ZINC001309666481 1050909444 /nfs/dbraw/zinc/90/94/44/1050909444.db2.gz LRMUCRXADBFXOF-UHFFFAOYSA-N -1 0 386.832 3.525 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(c2ccc(Cl)cc2Cl)CC1 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CCCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c(C)c1 ZINC000055687787 854054120 /nfs/dbraw/zinc/05/41/20/854054120.db2.gz UJLSFSZMUMKJAY-UHFFFAOYSA-N -1 0 380.422 3.501 20 5 GHBDRM CCCc1c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1cccc(F)c1 ZINC000184597080 855148188 /nfs/dbraw/zinc/14/81/88/855148188.db2.gz SKPLXENOQUQGEP-UHFFFAOYSA-N -1 0 384.367 3.830 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])c1 ZINC000542724952 855566122 /nfs/dbraw/zinc/56/61/22/855566122.db2.gz SQEXEPRKUIJHEN-UHFFFAOYSA-N -1 0 398.824 3.672 20 5 GHBDRM O=C([O-])C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000590851046 855613516 /nfs/dbraw/zinc/61/35/16/855613516.db2.gz OTDKBKSTFVNGCB-GFCCVEGCSA-N -1 0 378.450 3.709 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000171261808 856064044 /nfs/dbraw/zinc/06/40/44/856064044.db2.gz MVWRXPIECAOBLU-UHFFFAOYSA-N -1 0 394.302 3.562 20 5 GHBDRM CC(=O)c1ccc([O-])c(NC(=O)c2cccc([N+](=O)[O-])c2Br)c1 ZINC000760872134 856222285 /nfs/dbraw/zinc/22/22/85/856222285.db2.gz FHAQDWCNRSYNDB-UHFFFAOYSA-N -1 0 379.166 3.518 20 5 GHBDRM CC(C)c1csc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C2)n1 ZINC000184816739 856292508 /nfs/dbraw/zinc/29/25/08/856292508.db2.gz CJVSYCVJGFMBPX-LBPRGKRZSA-N -1 0 375.450 3.900 20 5 GHBDRM CC[C@@](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)(C(=O)[O-])c1ccccc1 ZINC000485378842 856434924 /nfs/dbraw/zinc/43/49/24/856434924.db2.gz DKRNBCIBBPZANK-IBGZPJMESA-N -1 0 384.413 3.929 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2C)s1 ZINC000485396479 856458756 /nfs/dbraw/zinc/45/87/56/856458756.db2.gz LRMSWSMHSAYDHT-UHFFFAOYSA-N -1 0 391.268 3.836 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)c(F)c1 ZINC000467429159 856490596 /nfs/dbraw/zinc/49/05/96/856490596.db2.gz KPQZTSSYSYHZJD-UHFFFAOYSA-N -1 0 390.396 3.679 20 5 GHBDRM CC[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000281031226 862812315 /nfs/dbraw/zinc/81/23/15/862812315.db2.gz VGMMWSXRGLFLIL-MRVPVSSYSA-N -1 0 375.328 3.657 20 5 GHBDRM C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[C@@H]1C(=O)[O-] ZINC000592467345 856884919 /nfs/dbraw/zinc/88/49/19/856884919.db2.gz MUOGMNHPBAUNNP-WBMJQRKESA-N -1 0 392.477 3.812 20 5 GHBDRM Cc1cc(N[C@H](C)C2CCN(CC(F)(F)F)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592979428 857146549 /nfs/dbraw/zinc/14/65/49/857146549.db2.gz YBEDFWGTUNNPMH-LLVKDONJSA-N -1 0 389.374 3.676 20 5 GHBDRM C[C@H](CC(=O)[O-])NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000485864264 857165009 /nfs/dbraw/zinc/16/50/09/857165009.db2.gz PHCOQZZGNURLCZ-SNVBAGLBSA-N -1 0 378.768 3.634 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)C2CCC2)cc1 ZINC000486094105 857420860 /nfs/dbraw/zinc/42/08/60/857420860.db2.gz LYYSJGUQXCZSAU-UHFFFAOYSA-N -1 0 388.445 3.995 20 5 GHBDRM CC(C)CCOc1cccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000521009973 857489299 /nfs/dbraw/zinc/48/92/99/857489299.db2.gz KSTVHJLPYBNNBP-UHFFFAOYSA-N -1 0 382.413 3.960 20 5 GHBDRM COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442247017 857651676 /nfs/dbraw/zinc/65/16/76/857651676.db2.gz VUAGZTSRMHSGDC-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000184872860 857693685 /nfs/dbraw/zinc/69/36/85/857693685.db2.gz UMRFAFTZEODKIS-UHFFFAOYSA-N -1 0 394.412 3.800 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccn(-c2ccccc2Cl)n1 ZINC000486509146 857805846 /nfs/dbraw/zinc/80/58/46/857805846.db2.gz OLBVHDKAZNEFBG-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)NCc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000439023525 858090927 /nfs/dbraw/zinc/09/09/27/858090927.db2.gz BCWMMEIZLUQPLK-UHFFFAOYSA-N -1 0 380.404 3.540 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@H](COCc2ccccc2)C1 ZINC000592766708 858222750 /nfs/dbraw/zinc/22/27/50/858222750.db2.gz DSHKTRPTGJBSNO-AWEZNQCLSA-N -1 0 390.823 3.633 20 5 GHBDRM COc1cccc(-c2nc(=NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)s[n-]2)c1 ZINC000439125205 858447572 /nfs/dbraw/zinc/44/75/72/858447572.db2.gz UEWULZBAJBMWCB-UHFFFAOYSA-N -1 0 398.444 3.920 20 5 GHBDRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000595248228 858451728 /nfs/dbraw/zinc/45/17/28/858451728.db2.gz SLRWFQPVCQMDDD-WIYYLYMNSA-N -1 0 397.431 3.580 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)c(Cl)c1 ZINC000544667803 858706296 /nfs/dbraw/zinc/70/62/96/858706296.db2.gz DOUXBMDTKQJPEF-GFCCVEGCSA-N -1 0 386.779 3.648 20 5 GHBDRM CC(C)OCCS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000482688939 858763503 /nfs/dbraw/zinc/76/35/03/858763503.db2.gz DFFYFSMJMLLMRI-UHFFFAOYSA-N -1 0 379.438 3.505 20 5 GHBDRM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2Br)cc1[N+](=O)[O-] ZINC000738513891 859472002 /nfs/dbraw/zinc/47/20/02/859472002.db2.gz VKULRWAEVQJBOT-UHFFFAOYSA-N -1 0 397.156 3.755 20 5 GHBDRM C[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1nc2cc(C(F)(F)F)ccc2n1C ZINC000764929410 859685614 /nfs/dbraw/zinc/68/56/14/859685614.db2.gz WAHNHZWGUVJMBJ-QMMMGPOBSA-N -1 0 382.298 3.746 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000765026026 859736865 /nfs/dbraw/zinc/73/68/65/859736865.db2.gz OYRZXNOUVAGCKE-UHFFFAOYSA-N -1 0 385.785 3.574 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c2cccnc12 ZINC000602078470 859757413 /nfs/dbraw/zinc/75/74/13/859757413.db2.gz IYZSEODZAGDVTC-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CCC(C)C)n1 ZINC000765102333 859788086 /nfs/dbraw/zinc/78/80/86/859788086.db2.gz KQIFOEDMVNHTOK-UHFFFAOYSA-N -1 0 386.861 3.600 20 5 GHBDRM COc1cc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)ccc1OCCC(C)C ZINC000060691878 859832468 /nfs/dbraw/zinc/83/24/68/859832468.db2.gz UPTTZYRJYAVYLW-UHFFFAOYSA-N -1 0 388.420 3.664 20 5 GHBDRM CCOc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1Br ZINC000552160927 859997729 /nfs/dbraw/zinc/99/77/29/859997729.db2.gz HUDJJYASYCAQHF-UHFFFAOYSA-N -1 0 381.182 3.714 20 5 GHBDRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000484436295 859998460 /nfs/dbraw/zinc/99/84/60/859998460.db2.gz TYPHTKJENDFEGE-UHFFFAOYSA-N -1 0 386.861 3.744 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)[nH]n2)ccc1[N+](=O)[O-] ZINC000474407544 860005138 /nfs/dbraw/zinc/00/51/38/860005138.db2.gz FILIXZGOHFIEGZ-UHFFFAOYSA-N -1 0 394.453 3.565 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1C1CCCCC1 ZINC000727245357 860012782 /nfs/dbraw/zinc/01/27/82/860012782.db2.gz AHCRWUGJCRYGKQ-UHFFFAOYSA-N -1 0 378.454 3.660 20 5 GHBDRM COC(=O)c1cc(C(C)C)ccc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000060839365 860174934 /nfs/dbraw/zinc/17/49/34/860174934.db2.gz VGNXDWOGBRBUNI-UHFFFAOYSA-N -1 0 392.433 3.614 20 5 GHBDRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000154700232 860234055 /nfs/dbraw/zinc/23/40/55/860234055.db2.gz UBUYRCNXCLSHRB-UHFFFAOYSA-N -1 0 394.170 3.701 20 5 GHBDRM O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000509072184 860804154 /nfs/dbraw/zinc/80/41/54/860804154.db2.gz SJPTUVMYYJYJSI-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1OC ZINC000603570548 860820142 /nfs/dbraw/zinc/82/01/42/860820142.db2.gz JKQXOYHWONCVQG-UHFFFAOYSA-N -1 0 394.767 3.606 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)s2)cc1[N+](=O)[O-] ZINC000603598586 860912996 /nfs/dbraw/zinc/91/29/96/860912996.db2.gz MSXKQFAOMMBUGE-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM COc1ccc(C[C@@H]2CCCCN2C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000593702749 860929445 /nfs/dbraw/zinc/92/94/45/860929445.db2.gz NKMZJHPUTLGUCY-KRWDZBQOSA-N -1 0 398.415 3.539 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3F)s2)cc1 ZINC000555450898 860933766 /nfs/dbraw/zinc/93/37/66/860933766.db2.gz WMRNVAHKRMEFSH-UHFFFAOYSA-N -1 0 379.394 3.658 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000593732922 861077961 /nfs/dbraw/zinc/07/79/61/861077961.db2.gz ROXKTVAJDNCDNA-QGZVFWFLSA-N -1 0 376.796 3.520 20 5 GHBDRM COc1ccc(CSc2n[n-]c(=NC3CCCCC3)s2)cc1[N+](=O)[O-] ZINC000603722621 861079366 /nfs/dbraw/zinc/07/93/66/861079366.db2.gz LNWHNKVCIHZTMI-UHFFFAOYSA-N -1 0 380.495 3.914 20 5 GHBDRM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 ZINC000160122881 863330663 /nfs/dbraw/zinc/33/06/63/863330663.db2.gz DOHMXILYYTYFPB-JTQLQIEISA-N -1 0 384.310 3.733 20 5 GHBDRM Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000186014825 864016409 /nfs/dbraw/zinc/01/64/09/864016409.db2.gz JNGXCQCSDWZRIU-UHFFFAOYSA-N -1 0 397.387 3.665 20 5 GHBDRM Cc1nc2ccc([N-]S(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])cc2s1 ZINC000480234758 864321906 /nfs/dbraw/zinc/32/19/06/864321906.db2.gz XFERJSZVOGCDKG-UHFFFAOYSA-N -1 0 377.447 3.931 20 5 GHBDRM CCCCC1CCC(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000734735900 864413091 /nfs/dbraw/zinc/41/30/91/864413091.db2.gz LVMRECHGORVQJK-UHFFFAOYSA-N -1 0 382.482 3.705 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000555127621 865572427 /nfs/dbraw/zinc/57/24/27/865572427.db2.gz UFYIYGOLZCIZLX-UHFFFAOYSA-N -1 0 397.412 3.677 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)nc2)c1C ZINC000608875352 865778946 /nfs/dbraw/zinc/77/89/46/865778946.db2.gz NINIPPDVIVUKNW-UHFFFAOYSA-N -1 0 391.449 3.729 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(F)ccc1N1CCCCC1 ZINC000608886624 865817120 /nfs/dbraw/zinc/81/71/20/865817120.db2.gz CABZFYWODMDTND-UHFFFAOYSA-N -1 0 393.440 3.833 20 5 GHBDRM Cc1ccc(C)c2sc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)nc21 ZINC000608928607 865833174 /nfs/dbraw/zinc/83/31/74/865833174.db2.gz HVGKVXJSAJRXDQ-UHFFFAOYSA-N -1 0 381.410 3.761 20 5 GHBDRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456153027 866180196 /nfs/dbraw/zinc/18/01/96/866180196.db2.gz WFIWIXSUBILMIJ-NSHDSACASA-N -1 0 380.322 3.738 20 5 GHBDRM CCCc1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000183194759 866329271 /nfs/dbraw/zinc/32/92/71/866329271.db2.gz LKURXSOPKNYMQI-UHFFFAOYSA-N -1 0 395.384 3.823 20 5 GHBDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC(C)(C)C ZINC000920332182 882052172 /nfs/dbraw/zinc/05/21/72/882052172.db2.gz VLBGXVBXGRUYHP-SNVBAGLBSA-N -1 0 376.862 3.516 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC(Cc2cccc(F)c2F)CC1 ZINC000456807815 867203819 /nfs/dbraw/zinc/20/38/19/867203819.db2.gz HSVDVJNXCMNCKL-UHFFFAOYSA-N -1 0 376.359 3.674 20 5 GHBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC(Cc2c(F)cccc2F)CC1 ZINC000456832728 867223834 /nfs/dbraw/zinc/22/38/34/867223834.db2.gz VTDPLFHDTIEZTB-UHFFFAOYSA-N -1 0 376.359 3.674 20 5 GHBDRM CCCCn1ccnc1-c1cccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1 ZINC000444964105 867567651 /nfs/dbraw/zinc/56/76/51/867567651.db2.gz HYAPHWWHMVMLNS-UHFFFAOYSA-N -1 0 381.392 3.611 20 5 GHBDRM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000190399966 882178542 /nfs/dbraw/zinc/17/85/42/882178542.db2.gz ARWWFEOLIODVIO-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM CO[C@@](C)(CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)COCc1ccccc1 ZINC000594735611 868442244 /nfs/dbraw/zinc/44/22/44/868442244.db2.gz KRMKZNVSFKHMJB-FQEVSTJZSA-N -1 0 388.420 3.635 20 5 GHBDRM COCc1nc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(-c2ccccc2)s1 ZINC000442972308 869154570 /nfs/dbraw/zinc/15/45/70/869154570.db2.gz KGHUWQZDDJXBSW-UHFFFAOYSA-N -1 0 399.428 3.500 20 5 GHBDRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c2ncccc12 ZINC000462370829 869305859 /nfs/dbraw/zinc/30/58/59/869305859.db2.gz RYGCQNHFNYNQOO-UHFFFAOYSA-N -1 0 394.412 3.800 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cc(Br)cc2c1OCC2 ZINC000462364328 869314745 /nfs/dbraw/zinc/31/47/45/869314745.db2.gz HTAFMBLZLHLEBM-UPHRSURJSA-N -1 0 391.177 3.556 20 5 GHBDRM O=C([O-])c1cc(C(=O)NCCc2cc(Cl)cc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000237980300 882452896 /nfs/dbraw/zinc/45/28/96/882452896.db2.gz IIJJQGZTOSNLQR-UHFFFAOYSA-N -1 0 383.187 3.572 20 5 GHBDRM CCOc1ccc(F)c(NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])c1F ZINC000550851682 882478947 /nfs/dbraw/zinc/47/89/47/882478947.db2.gz CFURBDPWZCOGQD-UHFFFAOYSA-N -1 0 396.346 3.931 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3n2C)cc1C ZINC000609321498 882481603 /nfs/dbraw/zinc/48/16/03/882481603.db2.gz AQSKOYJPEOYLDD-UHFFFAOYSA-N -1 0 394.840 3.553 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3F)nc2)cc1 ZINC000447265527 871283745 /nfs/dbraw/zinc/28/37/45/871283745.db2.gz HNMCOWLKGBUGSG-UHFFFAOYSA-N -1 0 389.364 3.722 20 5 GHBDRM Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000181755806 871461248 /nfs/dbraw/zinc/46/12/48/871461248.db2.gz DTDKLCFJPQCODL-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM COc1cc(CNc2nnc(Cc3cccc(F)c3)s2)c([N+](=O)[O-])cc1O ZINC000181819665 871505792 /nfs/dbraw/zinc/50/57/92/871505792.db2.gz WBNJVGUFPUQLTM-UHFFFAOYSA-N -1 0 390.396 3.503 20 5 GHBDRM CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c2ncccc12 ZINC000463790071 872562037 /nfs/dbraw/zinc/56/20/37/872562037.db2.gz WVYGKWDIDNSZLV-UHFFFAOYSA-N -1 0 387.417 3.651 20 5 GHBDRM CCSc1n[n-]c(=NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)s1 ZINC000447967602 872579485 /nfs/dbraw/zinc/57/94/85/872579485.db2.gz ZMUMUDYMHTUWLX-UHFFFAOYSA-N -1 0 379.492 3.716 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ncc(C3CCCCC3)s2)c([N+](=O)[O-])c1 ZINC000541073142 872856123 /nfs/dbraw/zinc/85/61/23/872856123.db2.gz YYWYJEOGDMRLMA-UHFFFAOYSA-N -1 0 397.478 3.908 20 5 GHBDRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768869921 873633880 /nfs/dbraw/zinc/63/38/80/873633880.db2.gz ZDRKIKRMZATDSH-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)oc1C ZINC000768881829 873644815 /nfs/dbraw/zinc/64/48/15/873644815.db2.gz KKGKJFJRLTXLGS-UHFFFAOYSA-N -1 0 379.419 3.729 20 5 GHBDRM CCCc1c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000768889629 873650150 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392.824 3.543 20 5 GHBDRM CCc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)cnn1CCC(C)C ZINC000491595382 875830554 /nfs/dbraw/zinc/83/05/54/875830554.db2.gz ZOHDYYREGKYSHM-UHFFFAOYSA-N -1 0 394.497 3.763 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(F)c(Cl)c1 ZINC000491821458 875963154 /nfs/dbraw/zinc/96/31/54/875963154.db2.gz SGSFPDYIICLGDY-UHFFFAOYSA-N -1 0 395.195 3.850 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccccc1CC(F)(F)F ZINC000460819941 876541471 /nfs/dbraw/zinc/54/14/71/876541471.db2.gz LCVLDEPBEKAZQI-UHFFFAOYSA-N -1 0 378.303 3.640 20 5 GHBDRM CC1CCN(c2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)c2)CC1 ZINC000610105764 877418550 /nfs/dbraw/zinc/41/85/50/877418550.db2.gz QLTJFQHLLJNAMI-UHFFFAOYSA-N -1 0 381.479 3.693 20 5 GHBDRM CCOc1cc(Br)ccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000477384022 877549381 /nfs/dbraw/zinc/54/93/81/877549381.db2.gz XNYFAPQTHMCMSR-UHFFFAOYSA-N -1 0 381.182 3.714 20 5 GHBDRM Cc1nc([C@H](C)NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC000237592708 877642396 /nfs/dbraw/zinc/64/23/96/877642396.db2.gz FOQHSJPMUWOGLR-JTQLQIEISA-N -1 0 391.449 3.846 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc(OC2CCCC2)c(F)c1 ZINC000460832256 878680292 /nfs/dbraw/zinc/68/02/92/878680292.db2.gz UFIUWSDZIVOSCW-UHFFFAOYSA-N -1 0 398.387 3.995 20 5 GHBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3n2C)cc1[N+](=O)[O-] ZINC000493177667 878690058 /nfs/dbraw/zinc/69/00/58/878690058.db2.gz CQGPWNPCFSCZRR-UHFFFAOYSA-N -1 0 394.840 3.553 20 5 GHBDRM O=C(Nc1nc(Cl)ccc1[O-])c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000790047962 879427597 /nfs/dbraw/zinc/42/75/97/879427597.db2.gz NKZRZHLCUMSRII-UHFFFAOYSA-N -1 0 391.689 3.542 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc([N+](=O)[O-])c1 ZINC000263556406 879467287 /nfs/dbraw/zinc/46/72/87/879467287.db2.gz ZAJHFWWTPINAKU-IPMKNSEASA-N -1 0 380.400 3.701 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000790391295 879662820 /nfs/dbraw/zinc/66/28/20/879662820.db2.gz VCCQVKMLQVBEJH-UHFFFAOYSA-N -1 0 399.812 3.882 20 5 GHBDRM CCCc1nc(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000776743713 879888323 /nfs/dbraw/zinc/88/83/23/879888323.db2.gz PIFYSBZZWYZGEN-UHFFFAOYSA-N -1 0 375.859 3.766 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1 ZINC000520156333 879909136 /nfs/dbraw/zinc/90/91/36/879909136.db2.gz DQKRWBAHKWOLKG-GFCCVEGCSA-N -1 0 392.330 3.706 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000112662166 880065293 /nfs/dbraw/zinc/06/52/93/880065293.db2.gz KFMQXRQXMZCGBN-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM C[C@H]1CCC(C)(C)N1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000854895715 880126729 /nfs/dbraw/zinc/12/67/29/880126729.db2.gz CAWQKDVTMMGEIR-JTQLQIEISA-N -1 0 378.816 3.543 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237568479 880288789 /nfs/dbraw/zinc/28/87/89/880288789.db2.gz QULDSPVHAKNYEW-OAHLLOKOSA-N -1 0 380.759 3.642 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2O)c(Cl)cc1Cl ZINC000791432536 880401251 /nfs/dbraw/zinc/40/12/51/880401251.db2.gz QLBMZNHXLBJEDJ-UHFFFAOYSA-N -1 0 381.168 3.547 20 5 GHBDRM O=C([N-]CCCSc1ccc(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC000155125663 881113479 /nfs/dbraw/zinc/11/34/79/881113479.db2.gz BVCHBAGQVARJPQ-UHFFFAOYSA-N -1 0 387.177 3.518 20 5 GHBDRM COc1ccc(C)cc1-c1csc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000476528799 881136706 /nfs/dbraw/zinc/13/67/06/881136706.db2.gz CWAQVCPBOQYNMD-UHFFFAOYSA-N -1 0 385.401 3.993 20 5 GHBDRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])s1 ZINC000551037333 883134741 /nfs/dbraw/zinc/13/47/41/883134741.db2.gz MPNQHMOESFVABG-UHFFFAOYSA-N -1 0 383.495 3.976 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc1[N+](=O)[O-] ZINC000609495304 883258607 /nfs/dbraw/zinc/25/86/07/883258607.db2.gz POSIBBRRRWWVJF-UHFFFAOYSA-N -1 0 398.853 3.809 20 5 GHBDRM O=C(C[C@@H]1CCCCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000476913862 883370114 /nfs/dbraw/zinc/37/01/14/883370114.db2.gz KIBVTOKVKVOOOJ-KRWDZBQOSA-N -1 0 382.416 3.958 20 5 GHBDRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000609769875 883627811 /nfs/dbraw/zinc/62/78/11/883627811.db2.gz YUMJEKDHHBBUSN-ZWKOTPCHSA-N -1 0 382.372 3.993 20 5 GHBDRM O=[N+]([O-])c1ccc2ncnc(Sc3n[n-]c(=NC4CCCCC4)s3)c2c1 ZINC000609849827 883727042 /nfs/dbraw/zinc/72/70/42/883727042.db2.gz NDSLBMTZKDEHPX-UHFFFAOYSA-N -1 0 388.478 3.707 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000237664118 884780243 /nfs/dbraw/zinc/78/02/43/884780243.db2.gz RRLAWDIYGXPZBB-UHFFFAOYSA-N -1 0 396.321 3.649 20 5 GHBDRM COc1c(F)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc1F ZINC000761892676 884932494 /nfs/dbraw/zinc/93/24/94/884932494.db2.gz ZGNGJKBTJZXRRF-UHFFFAOYSA-N -1 0 392.767 3.644 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2scnc2c1 ZINC000761895353 884938661 /nfs/dbraw/zinc/93/86/61/884938661.db2.gz VTSCSMHGMGODRO-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC000761899212 884945978 /nfs/dbraw/zinc/94/59/78/884945978.db2.gz XKWZMBJXYSFEFE-UHFFFAOYSA-N -1 0 377.205 3.716 20 5 GHBDRM O=C([O-])[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2ccccc2c1 ZINC000191484719 885197093 /nfs/dbraw/zinc/19/70/93/885197093.db2.gz ZCFFSRHKUUZKJL-QGZVFWFLSA-N -1 0 384.775 3.957 20 5 GHBDRM CC(C)Cn1ncc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1C1CC1 ZINC000808119328 886029859 /nfs/dbraw/zinc/02/98/59/886029859.db2.gz KVZRZSYAXXSAQU-UHFFFAOYSA-N -1 0 398.872 3.779 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2OCC(F)F)cs1 ZINC000808121634 886032362 /nfs/dbraw/zinc/03/23/62/886032362.db2.gz CLFFHSVFEMYSPW-UHFFFAOYSA-N -1 0 398.796 3.754 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000193598008 886946695 /nfs/dbraw/zinc/94/66/95/886946695.db2.gz NXETZEIKTFMNQX-UHFFFAOYSA-N -1 0 381.363 3.850 20 5 GHBDRM Cn1nc(C2CCCCC2)cc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000763255956 888396499 /nfs/dbraw/zinc/39/64/99/888396499.db2.gz RZXBMRBLPUCGLO-UHFFFAOYSA-N -1 0 398.872 3.830 20 5 GHBDRM Cc1ccc(C)c(OC2CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CC2)c1 ZINC000262565707 888461998 /nfs/dbraw/zinc/46/19/98/888461998.db2.gz BIMSBZFOGGRRSN-UHFFFAOYSA-N -1 0 398.415 3.593 20 5 GHBDRM O=C([O-])CCOc1ccc(/C=C2\C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc32)cc1 ZINC000915986976 888609627 /nfs/dbraw/zinc/60/96/27/888609627.db2.gz LIAYYUZHTATPFI-QPEQYQDCSA-N -1 0 388.763 3.594 20 5 GHBDRM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001132550462 889078488 /nfs/dbraw/zinc/07/84/88/889078488.db2.gz GXGRPLIAMXXOPF-CYBMUJFWSA-N -1 0 397.416 3.612 20 5 GHBDRM O=C([O-])C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000532874760 889130822 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378.384 3.505 20 5 GHBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2C)c([N+](=O)[O-])n1 ZINC000533784728 892944886 /nfs/dbraw/zinc/94/48/86/892944886.db2.gz QCCPBUYVKNYOHJ-UHFFFAOYSA-N -1 0 386.433 3.587 20 5 GHBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(C(F)(F)F)nc1Cl ZINC000816764495 895057390 /nfs/dbraw/zinc/05/73/90/895057390.db2.gz VPWXJAGBBGCCJJ-ZETCQYMHSA-N -1 0 389.717 3.859 20 5 GHBDRM Cc1nc(Br)sc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000816961013 895217237 /nfs/dbraw/zinc/21/72/37/895217237.db2.gz TWUPCZVCBCKDRD-UHFFFAOYSA-N -1 0 392.618 3.734 20 5 GHBDRM CC(C)(Cc1ccc(Br)cc1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000476115087 895233878 /nfs/dbraw/zinc/23/38/78/895233878.db2.gz NCXCOOGMNLSWEX-UHFFFAOYSA-N -1 0 393.237 3.814 20 5 GHBDRM Cc1nc(-c2ccc(CCNC(=O)c3cccc([N+](=O)[O-])c3[O-])cc2)cs1 ZINC001136002300 895885472 /nfs/dbraw/zinc/88/54/72/895885472.db2.gz YLKQFYYNDFHBAY-UHFFFAOYSA-N -1 0 383.429 3.705 20 5 GHBDRM CC(C)CC[C@@H](C)NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001136061147 895963557 /nfs/dbraw/zinc/96/35/57/895963557.db2.gz TZCWOPVYRRSHCL-LLVKDONJSA-N -1 0 380.832 3.694 20 5 GHBDRM O=C([O-])CCC1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000566296554 896223183 /nfs/dbraw/zinc/22/31/83/896223183.db2.gz BIAAFJMOIAWUAM-UHFFFAOYSA-N -1 0 385.420 3.650 20 5 GHBDRM O=C([O-])c1cc(NC(=O)N2CCC(Cc3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000568953786 898236482 /nfs/dbraw/zinc/23/64/82/898236482.db2.gz NWBQKYDBSSPIGM-UHFFFAOYSA-N -1 0 383.404 3.780 20 5 GHBDRM O=C(Nc1cccc2ocnc21)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001170986268 898333282 /nfs/dbraw/zinc/33/32/82/898333282.db2.gz ZPVPFVHNRMCNEY-UHFFFAOYSA-N -1 0 399.750 3.533 20 5 GHBDRM Cc1ccc(C[C@H]2CCCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2)cc1 ZINC000569422625 898645459 /nfs/dbraw/zinc/64/54/59/898645459.db2.gz IMSBAXZSOVNZGP-MRXNPFEDSA-N -1 0 382.416 3.696 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 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388.445 3.825 20 5 GHBDRM O=C(NCc1cccc(Oc2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001144992728 903320186 /nfs/dbraw/zinc/32/01/86/903320186.db2.gz NDAQMROFHGDPHW-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM Cc1cc(C)cc([C@@H](NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000578208022 903614022 /nfs/dbraw/zinc/61/40/22/903614022.db2.gz LTWYUEVXSLXPRN-RDTXWAMCSA-N -1 0 385.420 3.706 20 5 GHBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H]2c2nc3ccccc3s2)n1 ZINC000578752977 904100163 /nfs/dbraw/zinc/10/01/63/904100163.db2.gz CWDCSUNOTGZQJZ-ZDUSSCGKSA-N -1 0 384.417 3.948 20 5 GHBDRM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000190404541 906023555 /nfs/dbraw/zinc/02/35/55/906023555.db2.gz ALPYLNRPFUXGIL-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM Nc1cn(-c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c2ccc(Br)cc12 ZINC001174503470 907078691 /nfs/dbraw/zinc/07/86/91/907078691.db2.gz BGOXIGMRCORIQH-UHFFFAOYSA-N -1 0 376.166 3.582 20 5 GHBDRM COC(=O)c1ccc(Br)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174504558 907080040 /nfs/dbraw/zinc/08/00/40/907080040.db2.gz UOSZIJCIGNJRSH-UHFFFAOYSA-N -1 0 395.165 3.586 20 5 GHBDRM COc1cc(Br)c(F)cc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174508498 907082696 /nfs/dbraw/zinc/08/26/96/907082696.db2.gz ZJTXKTAOZITLDG-UHFFFAOYSA-N -1 0 385.145 3.947 20 5 GHBDRM Nc1c2cccnc2c2ncccc2c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174508041 907082716 /nfs/dbraw/zinc/08/27/16/907082716.db2.gz VKJXSMWQZXEDBS-UHFFFAOYSA-N -1 0 375.344 3.715 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(-c2ccc(Cl)s2)on1 ZINC000193133393 908090848 /nfs/dbraw/zinc/09/08/48/908090848.db2.gz GCGYHYQUAQGPCE-UHFFFAOYSA-N -1 0 385.810 3.766 20 5 GHBDRM Cn1cc(-c2cnc3ccc(Nc4cc(C(=O)[O-])cc([N+](=O)[O-])c4)cc3c2)cn1 ZINC001176676882 908205980 /nfs/dbraw/zinc/20/59/80/908205980.db2.gz LGMSPKUKXOWYQJ-UHFFFAOYSA-N -1 0 389.371 3.985 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(-c2cnco2)c1 ZINC000195444590 909008120 /nfs/dbraw/zinc/00/81/20/909008120.db2.gz GYLUKELHJCHBTF-UHFFFAOYSA-N -1 0 379.781 3.704 20 5 GHBDRM CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])c2ccccc21 ZINC000773848924 910069532 /nfs/dbraw/zinc/06/95/32/910069532.db2.gz XDGDTHXGIMNYPX-UHFFFAOYSA-N -1 0 399.403 3.702 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c([C@H](C)O)c2)cc1[N+](=O)[O-] ZINC000795378995 910108218 /nfs/dbraw/zinc/10/82/18/910108218.db2.gz GAEDXKPBJPAYBG-VIFPVBQESA-N -1 0 388.804 3.550 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000092591869 911636257 /nfs/dbraw/zinc/63/62/57/911636257.db2.gz BAAQYGRDEGEYSF-QGZVFWFLSA-N -1 0 393.237 3.636 20 5 GHBDRM C[C@]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)(c1ccc(F)cc1)C(F)(F)F ZINC000775209714 916301658 /nfs/dbraw/zinc/30/16/58/916301658.db2.gz QMGMEKKCJKNHBA-LBPRGKRZSA-N -1 0 398.359 3.551 20 5 GHBDRM COc1cc(C(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)cc(Cl)c1[O-] ZINC001191148859 917784676 /nfs/dbraw/zinc/78/46/76/917784676.db2.gz SIBSGUWCDKRICH-UHFFFAOYSA-N -1 0 394.814 3.745 20 5 GHBDRM C[C@@H](OC(=O)c1cc(F)c([O-])c(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000748480353 923672626 /nfs/dbraw/zinc/67/26/26/923672626.db2.gz ATDCYRPOLKMDHA-MRVPVSSYSA-N -1 0 391.286 3.547 20 5 GHBDRM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000133606883 926344901 /nfs/dbraw/zinc/34/49/01/926344901.db2.gz MMDKEFPOQUVQFW-ZDUSSCGKSA-N -1 0 397.431 3.733 20 5 GHBDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1C1CC1 ZINC000466958874 928542189 /nfs/dbraw/zinc/54/21/89/928542189.db2.gz YWGVKZAWSLNMDA-VIFPVBQESA-N -1 0 384.483 3.810 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-] ZINC000752196110 928676724 /nfs/dbraw/zinc/67/67/24/928676724.db2.gz SLQJUJPAQNKRPK-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM Cc1ccc2c(CCC(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[nH][nH]3)c[nH]c2c1 ZINC000467442138 929076243 /nfs/dbraw/zinc/07/62/43/929076243.db2.gz KBRVJVYPFXCICT-UHFFFAOYSA-N -1 0 389.415 3.768 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1C=C(Cl)c1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000758015590 929888790 /nfs/dbraw/zinc/88/87/90/929888790.db2.gz HSCNHTLDJAYRCJ-AUWJEWJLSA-N -1 0 385.763 3.575 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2ccccc2SC(F)F)ccc1[N+](=O)[O-] ZINC000759164071 930296209 /nfs/dbraw/zinc/29/62/09/930296209.db2.gz OJDZZKFNZFZBLN-UHFFFAOYSA-N -1 0 390.389 3.719 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCC[C@@H]1CCCCO1 ZINC000546890699 930513532 /nfs/dbraw/zinc/51/35/32/930513532.db2.gz XOCUJUDCCWZKTR-NSHDSACASA-N -1 0 397.280 3.529 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000470436512 930613447 /nfs/dbraw/zinc/61/34/47/930613447.db2.gz OACNIQCWFXFBRP-UHFFFAOYSA-N -1 0 396.730 3.790 20 5 GHBDRM O=C(Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1)c1ccccc1 ZINC000781069900 930692375 /nfs/dbraw/zinc/69/23/75/930692375.db2.gz GHJFSYSGRPKPEJ-UHFFFAOYSA-N -1 0 378.340 3.772 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000558002484 931796777 /nfs/dbraw/zinc/79/67/77/931796777.db2.gz BHQVMVPICRYOEE-GFCCVEGCSA-N -1 0 380.466 3.811 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ncc(-c2ccccc2F)s1 ZINC000559180420 932492824 /nfs/dbraw/zinc/49/28/24/932492824.db2.gz QNMBDKDSUIUIJT-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM CC[C@H]1CCCCN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798156408 932547762 /nfs/dbraw/zinc/54/77/62/932547762.db2.gz IBQPNTSYJNNIMA-LBPRGKRZSA-N -1 0 378.816 3.544 20 5 GHBDRM C[C@H]1Cc2ccccc2N1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798278450 932590894 /nfs/dbraw/zinc/59/08/94/932590894.db2.gz RXSVPAQRNIJNFY-NSHDSACASA-N -1 0 398.806 3.731 20 5 GHBDRM CCN(C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])c1ccccc1 ZINC000798280399 932591931 /nfs/dbraw/zinc/59/19/31/932591931.db2.gz XMNYQYDAGWYXNM-UHFFFAOYSA-N -1 0 386.795 3.806 20 5 GHBDRM O=C(NCc1ccc(OCc2ccccc2F)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000560633712 933409809 /nfs/dbraw/zinc/40/98/09/933409809.db2.gz HCCMRGMOIUVKLZ-UHFFFAOYSA-N -1 0 396.374 3.949 20 5 GHBDRM O=C(CCc1nc(-c2ccccc2)no1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001116574342 933642030 /nfs/dbraw/zinc/64/20/30/933642030.db2.gz UVXBKJBRXFTSEE-UHFFFAOYSA-N -1 0 388.767 3.575 20 5 GHBDRM O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777952300 934356364 /nfs/dbraw/zinc/35/63/64/934356364.db2.gz RWHWGGNJMRKFFA-DLBZAZTESA-N -1 0 394.349 3.862 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC001137716295 935744092 /nfs/dbraw/zinc/74/40/92/935744092.db2.gz BIRJNURQQKAZRW-HKUYNNGSSA-N -1 0 384.432 3.809 20 5 GHBDRM CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001137827006 935810058 /nfs/dbraw/zinc/81/00/58/935810058.db2.gz XQVHEAJYPNWUPB-LBPRGKRZSA-N -1 0 399.831 3.586 20 5 GHBDRM CCCOc1cc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)c([N+](=O)[O-])cc1OCCC ZINC001589679927 950031819 /nfs/dbraw/zinc/03/18/19/950031819.db2.gz DMGANIDQDAXWFO-IBGZPJMESA-N -1 0 394.424 3.612 20 5 GHBDRM O=C([O-])CN(CC1CC1)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001595072343 951605928 /nfs/dbraw/zinc/60/59/28/951605928.db2.gz OTUJVQURUGRWBI-UHFFFAOYSA-N -1 0 386.429 3.683 20 5 GHBDRM Cc1cccc([C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001594398715 958811649 /nfs/dbraw/zinc/81/16/49/958811649.db2.gz WTMUPAVUEYSBKQ-MRXNPFEDSA-N -1 0 394.836 3.591 20 5 GHBDRM Cc1c(Br)cc(C(=O)NC2(C(=O)[O-])CCCCCC2)cc1[N+](=O)[O-] ZINC001594253871 959638133 /nfs/dbraw/zinc/63/81/33/959638133.db2.gz LTHOGOBTUNIIKB-UHFFFAOYSA-N -1 0 399.241 3.573 20 5 GHBDRM Cc1c(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc(Br)cc1[N+](=O)[O-] ZINC001594264800 959734238 /nfs/dbraw/zinc/73/42/38/959734238.db2.gz SIMJQDVHOZHDDA-HYXAFXHYSA-N -1 0 395.165 3.609 20 5 GHBDRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)Cc3ccccc3[N+](=O)[O-])sc2[C@@H](C)O1 ZINC001610101193 970668673 /nfs/dbraw/zinc/66/86/73/970668673.db2.gz QANZZIKCODATOS-NXEZZACHSA-N -1 0 390.417 3.558 20 5 GHBDRM O=C([O-])[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)Cc2ccccc21 ZINC001606046488 973152976 /nfs/dbraw/zinc/15/29/76/973152976.db2.gz SVLCBHKCWLIHBJ-AWEZNQCLSA-N -1 0 391.221 3.541 20 5 GHBDRM CC(C)Oc1cc(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)ccc1[N+](=O)[O-] ZINC001591751502 975805724 /nfs/dbraw/zinc/80/57/24/975805724.db2.gz UVFMVGQEICDDSP-UHFFFAOYSA-N -1 0 395.371 3.881 20 5 GHBDRM CC(C)Oc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(C(=O)[O-])c1 ZINC001591779848 975942917 /nfs/dbraw/zinc/94/29/17/975942917.db2.gz CHMCOYOZVXARGX-LLVKDONJSA-N -1 0 390.367 3.962 20 5 GHBDRM CC(C)Oc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC001591787984 975966467 /nfs/dbraw/zinc/96/64/67/975966467.db2.gz IZPKLTXIHKMBJH-UHFFFAOYSA-N -1 0 378.768 3.986 20 5 GHBDRM CC(C)Oc1nc(N(CC(=O)[O-])Cc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC001591809599 976035655 /nfs/dbraw/zinc/03/56/55/976035655.db2.gz JJAWCQNUSGUSQQ-UHFFFAOYSA-N -1 0 379.800 3.522 20 5 GHBDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)c1cccc(F)c1 ZINC001592297814 977640114 /nfs/dbraw/zinc/64/01/14/977640114.db2.gz PDPJKJDLMYIZNM-KRWDZBQOSA-N -1 0 395.774 3.899 20 5 GHBDRM C[C@@H](CN(C)C(=O)OC(C)(C)C)Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001592575674 978480605 /nfs/dbraw/zinc/48/06/05/978480605.db2.gz NXVWVMLIDJGTNG-VIFPVBQESA-N -1 0 387.820 3.614 20 5 GHBDRM C[C@@](CO)(NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001592750376 979311430 /nfs/dbraw/zinc/31/14/30/979311430.db2.gz LIFXLHYEJFBPAR-KRWDZBQOSA-N -1 0 399.230 3.597 20 5 GHBDRM C[C@H](Cc1cncc2ccccc21)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001592908755 979866779 /nfs/dbraw/zinc/86/67/79/979866779.db2.gz IYFBDWKGBXZEOX-GFCCVEGCSA-N -1 0 380.356 3.625 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC001595212604 980001031 /nfs/dbraw/zinc/00/10/31/980001031.db2.gz OSUHPPXTJGQQDC-YSHGAJCASA-N -1 0 388.464 3.655 20 5 GHBDRM C[C@@](NC(=O)Cc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593044936 980333918 /nfs/dbraw/zinc/33/39/18/980333918.db2.gz ULDMTXLAKAQBCH-KRWDZBQOSA-N -1 0 397.214 3.560 20 5 GHBDRM CCC1CCC(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)(C(=O)[O-])CC1 ZINC001595420486 981036021 /nfs/dbraw/zinc/03/60/21/981036021.db2.gz OKXDSOOQIHRPHP-WHENESEISA-N -1 0 380.466 3.615 20 5 GHBDRM CC[C@H]1c2ccsc2CCN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001595505076 981281058 /nfs/dbraw/zinc/28/10/58/981281058.db2.gz WATNCFZHZLLHQU-AWEZNQCLSA-N -1 0 376.434 3.629 20 5 GHBDRM CCC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001594815743 981945169 /nfs/dbraw/zinc/94/51/69/981945169.db2.gz MLSQWXJHKXDLFQ-UHFFFAOYSA-N -1 0 393.417 3.748 20 5 GHBDRM CCCOc1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1Cl ZINC001595960155 983149088 /nfs/dbraw/zinc/14/90/88/983149088.db2.gz BOZKTXARBTWRMJ-UHFFFAOYSA-N -1 0 378.768 3.988 20 5 GHBDRM CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001596357986 983831661 /nfs/dbraw/zinc/83/16/61/983831661.db2.gz WRVTZKPQKIIWNC-UHFFFAOYSA-N -1 0 396.321 3.974 20 5 GHBDRM CCNc1ccc(C(=O)N[C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)cc1[N+](=O)[O-] ZINC001596501482 984256236 /nfs/dbraw/zinc/25/62/36/984256236.db2.gz WOUZHKDCZHFBDC-ASSNKEHSSA-N -1 0 397.431 3.634 20 5 GHBDRM CCOC(=O)[C@@](C)(CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC001596514958 984290093 /nfs/dbraw/zinc/29/00/93/984290093.db2.gz CKOHLAHDSASKCW-SKIIKRCTSA-N -1 0 398.415 3.626 20 5 GHBDRM CCOC(=O)[C@](C)(CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])c1ccccc1 ZINC001596516500 984298767 /nfs/dbraw/zinc/29/87/67/984298767.db2.gz NPYUMNWQHZMZBG-HXUWFJFHSA-N -1 0 386.404 3.534 20 5 GHBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001589000768 984941879 /nfs/dbraw/zinc/94/18/79/984941879.db2.gz DGXCHTACGQDTDC-XFXZXTDPSA-N -1 0 381.344 3.816 20 5 GHBDRM Cc1c(Br)ccc(F)c1C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001599970778 986001479 /nfs/dbraw/zinc/00/14/79/986001479.db2.gz CQEWKDCJAKWNHO-UHFFFAOYSA-N -1 0 398.140 3.722 20 5 GHBDRM CCOc1c(Cl)cccc1CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001596992962 986279831 /nfs/dbraw/zinc/27/98/31/986279831.db2.gz RDUZLKPURKMWQV-UHFFFAOYSA-N -1 0 378.768 3.526 20 5 GHBDRM C[C@H](C(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589385127 986473319 /nfs/dbraw/zinc/47/33/19/986473319.db2.gz CBFROHLVKPQFPX-JNAXZKDPSA-N -1 0 396.443 3.778 20 5 GHBDRM C[C@H](C(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589385128 986473408 /nfs/dbraw/zinc/47/34/08/986473408.db2.gz CBFROHLVKPQFPX-NQYLQCIDSA-N -1 0 396.443 3.778 20 5 GHBDRM C[C@H](C(=O)O[C@H](Cc1ccc(Cl)cc1)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001589539973 987238162 /nfs/dbraw/zinc/23/81/62/987238162.db2.gz GZEKVHZEDPDZHL-MGPLVRAMSA-N -1 0 395.770 3.730 20 5 GHBDRM CC[C@@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001597288712 987372607 /nfs/dbraw/zinc/37/26/07/987372607.db2.gz ODAHDKFGCYYDAM-MRXNPFEDSA-N -1 0 381.388 3.584 20 5 GHBDRM CCc1c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cnn1-c1ccccc1C ZINC001597411851 987703004 /nfs/dbraw/zinc/70/30/04/987703004.db2.gz VTSRNKWHOMTRED-UHFFFAOYSA-N -1 0 394.387 3.602 20 5 GHBDRM CCc1c(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cnn1-c1ccccc1C ZINC001597420354 987734231 /nfs/dbraw/zinc/73/42/31/987734231.db2.gz SCZPZIBQWSQUDK-UHFFFAOYSA-N -1 0 394.387 3.602 20 5 GHBDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1 ZINC001599811461 988343817 /nfs/dbraw/zinc/34/38/17/988343817.db2.gz RHZGOGZSGPEYTB-OAHLLOKOSA-N -1 0 392.408 3.710 20 5 GHBDRM CC(C)(C)OC(=O)CC[C@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001589873890 988523668 /nfs/dbraw/zinc/52/36/68/988523668.db2.gz VCEKBTWLYUENLW-CYBMUJFWSA-N -1 0 378.425 3.631 20 5 GHBDRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC001597772226 989236147 /nfs/dbraw/zinc/23/61/47/989236147.db2.gz RTMKNTZKQLMEOX-UHFFFAOYSA-N -1 0 391.379 3.892 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)Nc2ccc3cnn(CC(=O)[O-])c3c2)cc1[N+](=O)[O-] ZINC001590481984 990078447 /nfs/dbraw/zinc/07/84/47/990078447.db2.gz ZAHVJIXMZRVXOC-UHFFFAOYSA-N -1 0 396.403 3.579 20 5 GHBDRM CN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC001598079174 990391866 /nfs/dbraw/zinc/39/18/66/990391866.db2.gz JTAHEYWWIOKVCE-AWEZNQCLSA-N -1 0 382.294 3.512 20 5 GHBDRM CC(C)(NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001590849127 990728182 /nfs/dbraw/zinc/72/81/82/990728182.db2.gz RTNCJILSGSXFKA-QGZVFWFLSA-N -1 0 399.447 3.981 20 5 GHBDRM CC(C)(NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001590854859 990736963 /nfs/dbraw/zinc/73/69/63/990736963.db2.gz NEUWYYAWISCBEJ-UHFFFAOYSA-N -1 0 382.376 3.831 20 5 GHBDRM CC(C)[C@@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001590987992 991176750 /nfs/dbraw/zinc/17/67/50/991176750.db2.gz IQIZJHLVNFOKEQ-SOIVGHGOSA-N -1 0 393.440 3.654 20 5 GHBDRM CN(CC(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001598397205 991669109 /nfs/dbraw/zinc/66/91/09/991669109.db2.gz SIMPGSPATZRRCZ-UHFFFAOYSA-N -1 0 398.202 3.675 20 5 GHBDRM CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598483376 992184532 /nfs/dbraw/zinc/18/45/32/992184532.db2.gz UMHZGMRCZUIQAY-UHFFFAOYSA-N -1 0 398.394 3.891 20 5 GHBDRM C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1(c2ccccc2)CCCC1 ZINC001593145421 993940033 /nfs/dbraw/zinc/94/00/33/993940033.db2.gz DROMVFILSLPUGL-AWEZNQCLSA-N -1 0 382.416 3.923 20 5 GHBDRM C[C@](NC(=O)c1c(Cl)oc2ccccc21)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593145449 993940902 /nfs/dbraw/zinc/94/09/02/993940902.db2.gz FQIWURAUTCKBTE-GOSISDBHSA-N -1 0 388.763 3.724 20 5 GHBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-])C1CCCCC1 ZINC001593154822 993964275 /nfs/dbraw/zinc/96/42/75/993964275.db2.gz IWLHMRUQRSAAAK-GFCCVEGCSA-N -1 0 380.466 3.860 20 5 GHBDRM C[C@](NC(=O)c1ccc(-c2ccccc2)o1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593156701 993977660 /nfs/dbraw/zinc/97/76/60/993977660.db2.gz NLCUPZIOTNTUNI-HXUWFJFHSA-N -1 0 380.356 3.585 20 5 GHBDRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC001599649718 994478476 /nfs/dbraw/zinc/47/84/76/994478476.db2.gz SFKQJSLYOGDQLL-SFHVURJKSA-N -1 0 386.404 3.625 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001593667722 996058955 /nfs/dbraw/zinc/05/89/55/996058955.db2.gz RVBHTMUTRZQIRJ-QMMMGPOBSA-N -1 0 382.344 3.691 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001593668036 996061020 /nfs/dbraw/zinc/06/10/20/996061020.db2.gz XJFUNYADQJCGCJ-MRVPVSSYSA-N -1 0 393.446 3.746 20 5 GHBDRM CC1(C)C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CCS1 ZINC001593859403 996649772 /nfs/dbraw/zinc/64/97/72/996649772.db2.gz VKVMXEOZNGDCQZ-LLVKDONJSA-N -1 0 398.506 3.566 20 5 GHBDRM COc1cc(C(=O)Oc2cccc3c(CC(=O)[O-])cccc23)cc([N+](=O)[O-])c1C ZINC001599386900 996962581 /nfs/dbraw/zinc/96/25/81/996962581.db2.gz JZLINQFYEGFPEP-UHFFFAOYSA-N -1 0 395.367 3.911 20 5 GHBDRM CC1(C)OCC[C@@H]1Nc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001593980841 997195261 /nfs/dbraw/zinc/19/52/61/997195261.db2.gz GOHXNXFIHXAUHV-KRWDZBQOSA-N -1 0 384.388 3.503 20 5 GHBDRM COc1ccc([C@@H](NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C(F)(F)F)cc1 ZINC001599533202 997695173 /nfs/dbraw/zinc/69/51/73/997695173.db2.gz WLMRIEDGEKGFOO-OAHLLOKOSA-N -1 0 384.310 3.695 20 5 GHBDRM COC(=O)c1cc(Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])cc(C(=O)[O-])c1 ZINC001598952161 998174161 /nfs/dbraw/zinc/17/41/61/998174161.db2.gz VOFWHIWISNKNJP-UHFFFAOYSA-N -1 0 385.250 3.891 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC001599462264 998294794 /nfs/dbraw/zinc/29/47/94/998294794.db2.gz MEZNIXTVZRQSPC-UHFFFAOYSA-N -1 0 399.384 3.677 20 5 GHBDRM CO[C@@](C)(CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])COCc1ccccc1 ZINC001599035102 999077412 /nfs/dbraw/zinc/07/74/12/999077412.db2.gz SNMORIWWJDMECI-FQEVSTJZSA-N -1 0 388.420 3.635 20 5 GHBDRM CCOc1ccccc1N=c1[n-]nc(Sc2cc(C)c([N+](=O)[O-])cn2)s1 ZINC000470860972 1016914358 /nfs/dbraw/zinc/91/43/58/1016914358.db2.gz XETSOYIKWUNDPW-UHFFFAOYSA-N -1 0 389.462 3.865 20 5 GHBDRM O=c1nc2ncsc2c(O[C@H](c2ccccc2)c2ccccc2[N+](=O)[O-])[n-]1 ZINC001227611908 1032486362 /nfs/dbraw/zinc/48/63/62/1032486362.db2.gz UAPDVUMKXHWCCD-CQSZACIVSA-N -1 0 380.385 3.869 20 5 GHBDRM C[C@@H](Oc1cc(S(=O)(=O)[O-])cc2ccc(O)cc21)c1cccc([N+](=O)[O-])c1 ZINC001227672075 1032513493 /nfs/dbraw/zinc/51/34/93/1032513493.db2.gz XBDSGKYBEGWLOA-LLVKDONJSA-N -1 0 389.385 3.840 20 5 GHBDRM COCCC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Cl)cc1 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SJPRMGZYDXENER-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM COc1cc(-c2noc(-c3cc([O-])c(F)cc3[N+](=O)[O-])n2)cc(Cl)c1OC ZINC001216952001 1030024944 /nfs/dbraw/zinc/02/49/44/1030024944.db2.gz YKZSELMWMLZRPL-UHFFFAOYSA-N -1 0 395.730 3.827 20 5 GHBDRM O=c1cc(-c2nc(-c3cc(F)cc(Cl)c3)no2)[n-]c2ccc([N+](=O)[O-])cc12 ZINC001217509992 1030453180 /nfs/dbraw/zinc/45/31/80/1030453180.db2.gz RNEIKVHGULVKAH-UHFFFAOYSA-N -1 0 386.726 3.946 20 5 GHBDRM C[C@H]1CCN(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])CC1(C)C ZINC001153873030 1031784859 /nfs/dbraw/zinc/78/48/59/1031784859.db2.gz LXDBRURBMVHMDK-NSHDSACASA-N -1 0 392.843 3.648 20 5 GHBDRM CSc1nc(Cl)nc([N-][C@H](c2ccccn2)C(F)(F)F)c1[N+](=O)[O-] ZINC001157684926 1033722019 /nfs/dbraw/zinc/72/20/19/1033722019.db2.gz TZFUSYBOYQWASL-MRVPVSSYSA-N -1 0 379.751 3.871 20 5 GHBDRM C[C@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC001231075850 1034380253 /nfs/dbraw/zinc/38/02/53/1034380253.db2.gz IBBXINACCWCHRJ-LURJTMIESA-N -1 0 379.678 3.782 20 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Cc1cc(C)n(Cc2cccc(-c3nnc(-c4c([O-])cccc4[N+](=O)[O-])o3)c2)n1 ZINC001257483682 1044013871 /nfs/dbraw/zinc/01/38/71/1044013871.db2.gz LYSQULIHHUOSEP-UHFFFAOYSA-N -1 0 391.387 3.879 20 5 GHBDRM O=c1cc(-c2nnc(CCCc3ccccc3)o2)[n-]c2ccc([N+](=O)[O-])cc12 ZINC001257757557 1044146446 /nfs/dbraw/zinc/14/64/46/1044146446.db2.gz BJVFMAPWYQMFNK-UHFFFAOYSA-N -1 0 376.372 3.662 20 5 GHBDRM COc1ccc(-c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3[O-])s2)cc1 ZINC001294492466 1044662256 /nfs/dbraw/zinc/66/22/56/1044662256.db2.gz MLOLWFAQSRJTDE-UHFFFAOYSA-N -1 0 384.413 3.968 20 5 GHBDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc3cccnc3c3ncccc23)cc1 ZINC001259177139 1044993731 /nfs/dbraw/zinc/99/37/31/1044993731.db2.gz DJWOJVBZFOIQEQ-UHFFFAOYSA-N -1 0 377.425 3.786 20 5 GHBDRM COc1cccc(C(C)(C)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC001295441324 1045013160 /nfs/dbraw/zinc/01/31/60/1045013160.db2.gz PSSGSFHCBHMXHR-UHFFFAOYSA-N -1 0 378.812 3.670 20 5 GHBDRM Cc1ccc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c(C)c1 ZINC001462925858 1070665815 /nfs/dbraw/zinc/66/58/15/1070665815.db2.gz KIFFZGYRSXQQNR-UHFFFAOYSA-N -1 0 386.832 3.525 20 5 GHBDRM CC[C@H]1CCC[C@@H]1CNC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001298060344 1045690670 /nfs/dbraw/zinc/69/06/70/1045690670.db2.gz SIGDOAGWSBIJGP-NWDGAFQWSA-N -1 0 392.843 3.696 20 5 GHBDRM CC[C@@H]1CCC[C@H]1CNC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001298060334 1045690901 /nfs/dbraw/zinc/69/09/01/1045690901.db2.gz SIGDOAGWSBIJGP-NEPJUHHUSA-N -1 0 392.843 3.696 20 5 GHBDRM O=C(Nc1c(-c2ccccc2)nc2n1CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC001300997800 1046281997 /nfs/dbraw/zinc/28/19/97/1046281997.db2.gz XQVMCCDVPQHAOS-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)C=C([O-])c1ccc(C(F)(F)F)cc1 ZINC001307265146 1049168235 /nfs/dbraw/zinc/16/82/35/1049168235.db2.gz MNYNKSVJIBZSDQ-UHFFFAOYSA-N -1 0 387.335 3.579 20 5 GHBDRM Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC001309205830 1050471675 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C[C@H](Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])c1csc2ccccc21 ZINC000736669882 599955429 /nfs/dbraw/zinc/95/54/29/599955429.db2.gz BCDZHZJYDPYYHF-NSHDSACASA-N -1 0 399.428 3.797 20 5 GHBDRM O=C([O-])/C=C/c1ccc(N[C@H]2CCN(c3ccc(F)cc3F)C2)c([N+](=O)[O-])c1 ZINC000739622725 600008927 /nfs/dbraw/zinc/00/89/27/600008927.db2.gz BSAOQNONFSRBIM-XCVZWFEFSA-N -1 0 389.358 3.662 20 5 GHBDRM O=C([O-])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000262664654 600013502 /nfs/dbraw/zinc/01/35/02/600013502.db2.gz MXYUNFDBDUAKIL-CYBMUJFWSA-N -1 0 386.429 3.683 20 5 GHBDRM COc1ccc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000485797222 600067950 /nfs/dbraw/zinc/06/79/50/600067950.db2.gz LEKRAAOFICYCBW-UHFFFAOYSA-N -1 0 390.417 3.564 20 5 GHBDRM Cc1ccc(OC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(C(=O)[O-])c1 ZINC000738636881 600132386 /nfs/dbraw/zinc/13/23/86/600132386.db2.gz FGHNSORCYNAGRB-UHFFFAOYSA-N -1 0 384.369 3.944 20 5 GHBDRM O=C([O-])c1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(OC(F)F)c1 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ZINC000549594012 843101809 /nfs/dbraw/zinc/10/18/09/843101809.db2.gz QAXVSOJCCCOIKQ-UHFFFAOYSA-N -1 0 390.396 3.542 20 5 GHBDRM O=c1cc(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1ccc(F)cc1Br ZINC000603920950 861403573 /nfs/dbraw/zinc/40/35/73/861403573.db2.gz GZKMZPXJWGSMHH-UHFFFAOYSA-N -1 0 378.157 3.637 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C(F)(F)F)c1 ZINC000067124839 844786686 /nfs/dbraw/zinc/78/66/86/844786686.db2.gz CZCDKKFKYNZYOD-UHFFFAOYSA-N -1 0 394.302 3.562 20 5 GHBDRM COc1cc(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc([N+](=O)[O-])c1[O-] ZINC000512628172 844832201 /nfs/dbraw/zinc/83/22/01/844832201.db2.gz LBQHWFKPBAMWEM-AWEZNQCLSA-N -1 0 399.447 3.936 20 5 GHBDRM CN(Cc1cscn1)Cc1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000512672890 844993054 /nfs/dbraw/zinc/99/30/54/844993054.db2.gz LIMPCGYYZSJJAN-UHFFFAOYSA-N -1 0 398.444 3.641 20 5 GHBDRM COc1cc(OC)c2c(c1)N(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])CCC2 ZINC000600307932 861544259 /nfs/dbraw/zinc/54/42/59/861544259.db2.gz YUYRQFPVXKVFHU-UHFFFAOYSA-N -1 0 392.795 3.564 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)c([N+](=O)[O-])s1 ZINC001211763895 845326219 /nfs/dbraw/zinc/32/62/19/845326219.db2.gz JLSZZPDIJIXBLH-NSHDSACASA-N -1 0 398.359 3.686 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccco3)nn2C(C)C)c([N+](=O)[O-])c1 ZINC000433155659 845539568 /nfs/dbraw/zinc/53/95/68/845539568.db2.gz YVWMZFIVOMXWNO-UHFFFAOYSA-N -1 0 390.421 3.741 20 5 GHBDRM Cc1cc(C)n(Cc2cccc(-c3noc(-c4ccc([N+](=O)[O-])c([O-])c4)n3)c2)n1 ZINC000429872914 845611570 /nfs/dbraw/zinc/61/15/70/845611570.db2.gz ZADBPGANLSBOTM-UHFFFAOYSA-N -1 0 391.387 3.879 20 5 GHBDRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000539572878 846298821 /nfs/dbraw/zinc/29/88/21/846298821.db2.gz NQRHWIQRIUAEOV-AWEZNQCLSA-N -1 0 391.468 3.594 20 5 GHBDRM COc1cccc2[nH]cc(CC(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])c21 ZINC000183120874 846334333 /nfs/dbraw/zinc/33/43/33/846334333.db2.gz ZJKHYUYBSAFIRE-UHFFFAOYSA-N -1 0 375.768 3.625 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)c1C ZINC000135510820 846502089 /nfs/dbraw/zinc/50/20/89/846502089.db2.gz OQFOANODQNDHGF-UHFFFAOYSA-N -1 0 396.375 3.826 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158250719 847125662 /nfs/dbraw/zinc/12/56/62/847125662.db2.gz YHOZIGYDMKVSIV-UHFFFAOYSA-N -1 0 399.230 3.632 20 5 GHBDRM O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000375701281 847141688 /nfs/dbraw/zinc/14/16/88/847141688.db2.gz MXGRWMYZHCASRP-UHFFFAOYSA-N -1 0 393.403 3.538 20 5 GHBDRM Cc1coc(-c2cccc([N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])c2)n1 ZINC000164049810 847169409 /nfs/dbraw/zinc/16/94/09/847169409.db2.gz JTAKJHVVRIYONM-UHFFFAOYSA-N -1 0 387.417 3.976 20 5 GHBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000127691179 847291617 /nfs/dbraw/zinc/29/16/17/847291617.db2.gz NUFVMJMIBFRYLK-UHFFFAOYSA-N -1 0 393.614 3.794 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c2cccnc12 ZINC000479120888 847477072 /nfs/dbraw/zinc/47/70/72/847477072.db2.gz WIMNSSOPUJCFNL-UHFFFAOYSA-N -1 0 387.417 3.569 20 5 GHBDRM O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183470641 847613330 /nfs/dbraw/zinc/61/33/30/847613330.db2.gz GXOQAPXRVISVDC-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2Nc2ccccc2)c(F)c1 ZINC000502444427 847908514 /nfs/dbraw/zinc/90/85/14/847908514.db2.gz UPUNSHXQQYJVIE-UHFFFAOYSA-N -1 0 388.380 3.673 20 5 GHBDRM O=C(COCc1nc2ccccc2s1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000612628447 848692109 /nfs/dbraw/zinc/69/21/09/848692109.db2.gz PLMQPAQFGMFZLI-UHFFFAOYSA-N -1 0 393.808 3.719 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(C)C)C3)c([N+](=O)[O-])c1 ZINC000486861629 850178157 /nfs/dbraw/zinc/17/81/57/850178157.db2.gz BBNBGMZQZCLONW-UHFFFAOYSA-N -1 0 389.477 3.676 20 5 GHBDRM CCCCOc1ccc([C@@H](C)NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1OC ZINC000506640350 850234579 /nfs/dbraw/zinc/23/45/79/850234579.db2.gz YCDDJRBCJRUOQA-CYBMUJFWSA-N -1 0 388.420 3.979 20 5 GHBDRM O=C(NCCc1cc(Cl)ccc1Br)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000435975596 851051733 /nfs/dbraw/zinc/05/17/33/851051733.db2.gz JTOAFFKFHRMTQU-UHFFFAOYSA-N -1 0 399.628 3.689 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057722072 862226662 /nfs/dbraw/zinc/22/66/62/862226662.db2.gz ISMHNNYZRFQIRJ-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM Cc1ccc(-n2nc(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)c3c2CCC3)c(C)c1 ZINC000436618778 852098587 /nfs/dbraw/zinc/09/85/87/852098587.db2.gz MVJFIJJANHDUCW-UHFFFAOYSA-N -1 0 392.415 3.844 20 5 GHBDRM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436634458 852129038 /nfs/dbraw/zinc/12/90/38/852129038.db2.gz OTLSEYALOKLVJU-ZDUSSCGKSA-N -1 0 392.795 3.764 20 5 GHBDRM CC(=O)c1ccc([O-])c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000436682381 852191735 /nfs/dbraw/zinc/19/17/35/852191735.db2.gz VEEIXJDDVNDGTJ-UHFFFAOYSA-N -1 0 383.385 3.879 20 5 GHBDRM Cc1ccsc1-c1nc(=NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)s[n-]1 ZINC000473838077 852220273 /nfs/dbraw/zinc/22/02/73/852220273.db2.gz USPBOAONPIHDGB-SNVBAGLBSA-N -1 0 389.462 3.788 20 5 GHBDRM CN(c1ccccc1)c1ccc(CNCc2cc(C(=O)[O-])co2)cc1[N+](=O)[O-] ZINC000426700013 852282900 /nfs/dbraw/zinc/28/29/00/852282900.db2.gz NVRICXLASJMYPN-UHFFFAOYSA-N -1 0 381.388 3.944 20 5 GHBDRM CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436924969 852506333 /nfs/dbraw/zinc/50/63/33/852506333.db2.gz HWFGWBOVICOHQJ-UHFFFAOYSA-N -1 0 397.200 3.864 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000436927613 852510058 /nfs/dbraw/zinc/51/00/58/852510058.db2.gz SYNNCYOTXREVRU-HNNXBMFYSA-N -1 0 378.837 3.884 20 5 GHBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1nc2ccccc2n1C(F)F ZINC000436951161 852514406 /nfs/dbraw/zinc/51/44/06/852514406.db2.gz DSYIDJULTUJRNS-VIFPVBQESA-N -1 0 376.319 3.536 20 5 GHBDRM COc1ccccc1[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000436960669 852531525 /nfs/dbraw/zinc/53/15/25/852531525.db2.gz KYQNVFXHAJSKHU-FQEVSTJZSA-N -1 0 378.384 3.828 20 5 GHBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000732615689 862394643 /nfs/dbraw/zinc/39/46/43/862394643.db2.gz PCDFKBWENTWVTC-UHFFFAOYSA-N -1 0 396.424 3.689 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(C2SCCS2)c1 ZINC000017319999 853130090 /nfs/dbraw/zinc/13/00/90/853130090.db2.gz IVANLYSSTYTOMT-UHFFFAOYSA-N -1 0 382.488 3.874 20 5 GHBDRM Cc1cc2c(o1)CC(C)(C)C[C@H]2[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000519891650 853588353 /nfs/dbraw/zinc/58/83/53/853588353.db2.gz LMNYMWMGPKBKSR-CYBMUJFWSA-N -1 0 382.413 3.627 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1CCCc2ccccc21 ZINC000518660576 853621055 /nfs/dbraw/zinc/62/10/55/853621055.db2.gz YELSAMGAXAOQKX-CYBMUJFWSA-N -1 0 380.853 3.647 20 5 GHBDRM CCOC(=O)/C(=C\c1ccc([O-])c([N+](=O)[O-])c1)c1nccn1Cc1ccccc1 ZINC000221849255 853630396 /nfs/dbraw/zinc/63/03/96/853630396.db2.gz ASYBDAUGZXVLFZ-ATVHPVEESA-N -1 0 393.399 3.649 20 5 GHBDRM C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469569622 853885654 /nfs/dbraw/zinc/88/56/54/853885654.db2.gz XYMRZTARNRFVDH-LLVKDONJSA-N -1 0 393.237 3.814 20 5 GHBDRM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000055674035 854051172 /nfs/dbraw/zinc/05/11/72/854051172.db2.gz KYNAILSJEUBOMR-UHFFFAOYSA-N -1 0 397.840 3.624 20 5 GHBDRM Cc1c(NC(=O)c2cc3ccccc3cc2[N-]S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000732921911 862591022 /nfs/dbraw/zinc/59/10/22/862591022.db2.gz KCGLENARPKMFQC-UHFFFAOYSA-N -1 0 399.428 3.680 20 5 GHBDRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000765840013 855450475 /nfs/dbraw/zinc/45/04/75/855450475.db2.gz LONGQLLMFQLITC-INIZCTEOSA-N -1 0 387.442 3.913 20 5 GHBDRM O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000585975708 855605183 /nfs/dbraw/zinc/60/51/83/855605183.db2.gz SGPDIXFSBILAGU-UHFFFAOYSA-N -1 0 396.428 3.572 20 5 GHBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000590844903 855609583 /nfs/dbraw/zinc/60/95/83/855609583.db2.gz ALPBYKHQVBGWBW-UHFFFAOYSA-N -1 0 398.415 3.712 20 5 GHBDRM O=C(NCc1cccc(COCc2ccco2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000542791469 855833364 /nfs/dbraw/zinc/83/33/64/855833364.db2.gz LQUPXAMPEHCNJH-UHFFFAOYSA-N -1 0 382.372 3.540 20 5 GHBDRM Cc1cc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)ccc2[nH]1 ZINC000184800009 855954261 /nfs/dbraw/zinc/95/42/61/855954261.db2.gz RPVJKNFFTRWLFT-UHFFFAOYSA-N -1 0 382.401 3.734 20 5 GHBDRM COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1Br ZINC000031943319 862743383 /nfs/dbraw/zinc/74/33/83/862743383.db2.gz KGOLLVFRZQNARJ-SECBINFHSA-N -1 0 395.209 3.563 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c(Cl)c1 ZINC000120922824 856037580 /nfs/dbraw/zinc/03/75/80/856037580.db2.gz JKHHVZQNLDXIFP-UHFFFAOYSA-N -1 0 378.740 3.650 20 5 GHBDRM C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000507818157 856381014 /nfs/dbraw/zinc/38/10/14/856381014.db2.gz CUEIMBDATXTAJA-NSHDSACASA-N -1 0 393.237 3.814 20 5 GHBDRM COc1ccc(CNc2cc(Br)c(C)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000485389673 856429440 /nfs/dbraw/zinc/42/94/40/856429440.db2.gz YHLVICZLPIFTPJ-UHFFFAOYSA-N -1 0 395.209 3.985 20 5 GHBDRM CC(C)c1nc(/C=C/c2cc([N+](=O)[O-])ccc2OC(F)F)ncc1C(=O)[O-] ZINC000172554948 856476045 /nfs/dbraw/zinc/47/60/45/856476045.db2.gz QJJSSLKVBPVURA-ZZXKWVIFSA-N -1 0 379.319 3.978 20 5 GHBDRM O=C(NCc1cccnc1Oc1cccc(F)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427898747 856834250 /nfs/dbraw/zinc/83/42/50/856834250.db2.gz BLTKCJZVJUKZEK-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000542927613 856867699 /nfs/dbraw/zinc/86/76/99/856867699.db2.gz MNKSBXCEZIBRRP-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ncc(-c3ccccn3)s2)c1C ZINC000508109139 856930125 /nfs/dbraw/zinc/93/01/25/856930125.db2.gz IDDCAQCPDGYSOB-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM CCc1ccc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)cc1[N+](=O)[O-] ZINC000592352766 857163423 /nfs/dbraw/zinc/16/34/23/857163423.db2.gz OCMAYYHTTJYTPS-UHFFFAOYSA-N -1 0 389.355 3.680 20 5 GHBDRM O=C([O-])c1ccccc1C1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000592421007 857384973 /nfs/dbraw/zinc/38/49/73/857384973.db2.gz KZYIIAIWDFLIQZ-UHFFFAOYSA-N -1 0 381.432 3.951 20 5 GHBDRM Cc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(C)c1OCc1ccccn1 ZINC000486077134 857396978 /nfs/dbraw/zinc/39/69/78/857396978.db2.gz PXVKUTVYQPOIIK-VOTSOKGWSA-N -1 0 394.387 3.557 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c(C(F)(F)F)c1 ZINC000161579078 857564016 /nfs/dbraw/zinc/56/40/16/857564016.db2.gz ZENOWPLXJWSCAF-UHFFFAOYSA-N -1 0 382.266 3.693 20 5 GHBDRM C[C@@H](N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)c1nc(C(F)(F)F)cs1 ZINC000486489952 857804549 /nfs/dbraw/zinc/80/45/49/857804549.db2.gz RACOXHSQSNZQSU-SSDOTTSWSA-N -1 0 385.327 3.715 20 5 GHBDRM CC(C)Oc1nc(N2CCC(c3ccccc3C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000594546167 858201370 /nfs/dbraw/zinc/20/13/70/858201370.db2.gz SYKPSIDCHNSORW-UHFFFAOYSA-N -1 0 385.420 3.859 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cnc(C(F)(F)F)c(C)c2)cc1C ZINC000594699092 858271819 /nfs/dbraw/zinc/27/18/19/858271819.db2.gz NEOSAJIKIKEYMC-UHFFFAOYSA-N -1 0 389.355 3.735 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1cccc(Cl)c1Cl ZINC000521772677 858298043 /nfs/dbraw/zinc/29/80/43/858298043.db2.gz KJDDSMQWYGRXLK-UHFFFAOYSA-N -1 0 379.196 3.519 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCCc2cc(Br)ccc21 ZINC000132459441 858725140 /nfs/dbraw/zinc/72/51/40/858725140.db2.gz RTPRJXANYCPMFP-UHFFFAOYSA-N -1 0 377.194 3.656 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)ccc1[N+](=O)[O-] ZINC000522357734 859176923 /nfs/dbraw/zinc/17/69/23/859176923.db2.gz FIGLHKWGZKANCA-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM Cc1c(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])oc2ccccc12 ZINC000522375872 859255885 /nfs/dbraw/zinc/25/58/85/859255885.db2.gz CTCQKPNRNGNXTR-UHFFFAOYSA-N -1 0 380.809 3.781 20 5 GHBDRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060436926 859273324 /nfs/dbraw/zinc/27/33/24/859273324.db2.gz OBACGUGJOOHMNK-UHFFFAOYSA-N -1 0 384.841 3.983 20 5 GHBDRM CCCc1c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000483442283 859378383 /nfs/dbraw/zinc/37/83/83/859378383.db2.gz AZMZYILICIZZHL-UHFFFAOYSA-N -1 0 384.367 3.830 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2cccc(OCc3cccnc3)c2)cc([N+](=O)[O-])c1 ZINC000740087384 859574166 /nfs/dbraw/zinc/57/41/66/859574166.db2.gz ANRIGMPTZYRKLT-UHFFFAOYSA-N -1 0 393.355 3.519 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)cc1[N+](=O)[O-] ZINC000466971865 859583070 /nfs/dbraw/zinc/58/30/70/859583070.db2.gz AJLVRPVDOUNSSA-UHFFFAOYSA-N -1 0 398.853 3.605 20 5 GHBDRM O=C(CCc1ccc(Br)cc1F)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000611294656 859679928 /nfs/dbraw/zinc/67/99/28/859679928.db2.gz DLMOXSPSRYJNJV-UHFFFAOYSA-N -1 0 383.173 3.773 20 5 GHBDRM Cc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(C(=O)[O-])c1 ZINC000543447329 859733366 /nfs/dbraw/zinc/73/33/66/859733366.db2.gz BVLRATRKNFWTEZ-UHFFFAOYSA-N -1 0 383.385 3.977 20 5 GHBDRM CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611534921 859798605 /nfs/dbraw/zinc/79/86/05/859798605.db2.gz GOVHYYBJCISVKL-UHFFFAOYSA-N -1 0 399.378 3.799 20 5 GHBDRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000153002600 881473314 /nfs/dbraw/zinc/47/33/14/881473314.db2.gz OOWQPBNDJXCMMQ-UHFFFAOYSA-N -1 0 376.221 3.714 20 5 GHBDRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000484433997 859998802 /nfs/dbraw/zinc/99/88/02/859998802.db2.gz PNCCSYPELQQHAD-UHFFFAOYSA-N -1 0 386.861 3.744 20 5 GHBDRM O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cc(F)cc(Cl)c1[O-] ZINC000474423704 860044696 /nfs/dbraw/zinc/04/46/96/860044696.db2.gz BCONRRGUDJXRQF-UHFFFAOYSA-N -1 0 391.742 3.659 20 5 GHBDRM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185449222 860280181 /nfs/dbraw/zinc/28/01/81/860280181.db2.gz QWQRDAMWSKNVBV-CQSZACIVSA-N -1 0 397.431 3.876 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000093928946 860377089 /nfs/dbraw/zinc/37/70/89/860377089.db2.gz KDWZFFROKKHAIC-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cnn1C1CCCC1 ZINC000598713498 860524445 /nfs/dbraw/zinc/52/44/45/860524445.db2.gz MRBUPXXGFPANTK-UHFFFAOYSA-N -1 0 378.454 3.632 20 5 GHBDRM CCc1csc(CC2CCN(c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)CC2)n1 ZINC000593946465 863444662 /nfs/dbraw/zinc/44/46/62/863444662.db2.gz FRGGFUZCCJCHLR-UHFFFAOYSA-N -1 0 375.450 3.771 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2ccc(CN=c3[n-]nc(CC(F)(F)F)s3)o2)cc1 ZINC000475057616 863651247 /nfs/dbraw/zinc/65/12/47/863651247.db2.gz DBORCIDAQMBVBU-UHFFFAOYSA-N -1 0 384.339 3.845 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444255849 863767808 /nfs/dbraw/zinc/76/78/08/863767808.db2.gz FOMMXKDLOQWPPB-UHFFFAOYSA-N -1 0 375.340 3.547 20 5 GHBDRM CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000734079277 863984989 /nfs/dbraw/zinc/98/49/89/863984989.db2.gz BQAORSUIIVBFAN-MRXNPFEDSA-N -1 0 382.482 3.537 20 5 GHBDRM O=C(OC(COc1ccccc1)COc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000920124454 881717212 /nfs/dbraw/zinc/71/72/12/881717212.db2.gz MVAMPJFWTDFIAL-UHFFFAOYSA-N -1 0 382.372 3.606 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2noc(=N[C@@H](Cc3ccccn3)c3ccccc3)[n-]2)cc1 ZINC000480303163 864447440 /nfs/dbraw/zinc/44/74/40/864447440.db2.gz YOKOHYMWNPCQBP-IBGZPJMESA-N -1 0 387.399 3.858 20 5 GHBDRM CCC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)(C)C ZINC001211896789 864922748 /nfs/dbraw/zinc/92/27/48/864922748.db2.gz GRDQBFBNKCLFKH-CYBMUJFWSA-N -1 0 393.303 3.850 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1[N+](=O)[O-] ZINC000736419599 865202476 /nfs/dbraw/zinc/20/24/76/865202476.db2.gz WSVLIDMKQJJLRA-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1nc2ccc(Cl)cc2s1 ZINC000608926543 865830671 /nfs/dbraw/zinc/83/06/71/865830671.db2.gz QLABJDVQHDBUMD-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM Cc1oc(CN(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000263030206 881910850 /nfs/dbraw/zinc/91/08/50/881910850.db2.gz ZLFHOAHHEGJBPS-UHFFFAOYSA-N -1 0 398.824 3.599 20 5 GHBDRM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000609027558 865904816 /nfs/dbraw/zinc/90/48/16/865904816.db2.gz XNHUMAWQNMGWDE-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C)c1 ZINC000609027036 865905916 /nfs/dbraw/zinc/90/59/16/865905916.db2.gz FECAYJOGPUCRET-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000444535745 866873423 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UQXCDMPRJOWQAX-YWEYNIOJSA-N -1 0 378.331 3.949 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(-n3cccn3)ccc2C)c1C ZINC000190400995 882178485 /nfs/dbraw/zinc/17/84/85/882178485.db2.gz XSZGTKBUNIRAHV-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3s2)c([N+](=O)[O-])c1 ZINC000524298517 868866268 /nfs/dbraw/zinc/86/62/68/868866268.db2.gz NPENNHMPAUGMLV-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)c([N+](=O)[O-])c1 ZINC000122213006 869074481 /nfs/dbraw/zinc/07/44/81/869074481.db2.gz WSIDMETUGDADAO-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000539607173 869435060 /nfs/dbraw/zinc/43/50/60/869435060.db2.gz ZVVMUFFGKHBCLU-GOSISDBHSA-N -1 0 382.416 3.717 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1ccc(F)cc1F ZINC000462514707 869590112 /nfs/dbraw/zinc/59/01/12/869590112.db2.gz AVUWYZBETWWJQM-UHFFFAOYSA-N -1 0 397.186 3.658 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000539678424 869602398 /nfs/dbraw/zinc/60/23/98/869602398.db2.gz VUYVTRLLTOOKNR-ZDUSSCGKSA-N -1 0 380.466 3.617 20 5 GHBDRM C[C@H](CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)CC(=O)[O-] ZINC000539690279 869611731 /nfs/dbraw/zinc/61/17/31/869611731.db2.gz PAKVCZZMAOGBIT-NSHDSACASA-N -1 0 392.795 3.881 20 5 GHBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)c([N+](=O)[O-])c1 ZINC000540204036 870720648 /nfs/dbraw/zinc/72/06/48/870720648.db2.gz IMBVQJWSRBUDLU-UHFFFAOYSA-N -1 0 392.433 3.614 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1[nH][n-]c(-c2ccc(C)o2)c1C ZINC000463104133 870929673 /nfs/dbraw/zinc/92/96/73/870929673.db2.gz GRUNUNVQAYJKEC-OAHLLOKOSA-N -1 0 382.420 3.824 20 5 GHBDRM CC(C)c1ccc(C(=O)Nc2nccc(Br)c2[O-])cc1[N+](=O)[O-] ZINC001169383010 871456943 /nfs/dbraw/zinc/45/69/43/871456943.db2.gz NMEYHBDIOVMLCS-UHFFFAOYSA-N -1 0 380.198 3.834 20 5 GHBDRM O=C(Cc1csc(Cc2ccc(F)cc2)n1)Nc1ccc([O-])c([N+](=O)[O-])c1 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916848668 /nfs/dbraw/zinc/84/86/68/916848668.db2.gz YNRUQAFIBHGDBA-UHFFFAOYSA-N -1 0 399.403 3.850 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC000775469735 918107024 /nfs/dbraw/zinc/10/70/24/918107024.db2.gz AABVYWUQISYKQI-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)n[nH]2)s1 ZINC000119326436 919618912 /nfs/dbraw/zinc/61/89/12/919618912.db2.gz UPDLURQJTNLWDN-UHFFFAOYSA-N -1 0 384.464 3.526 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000368423273 922664656 /nfs/dbraw/zinc/66/46/56/922664656.db2.gz WAWUSAOSYWLBED-NSHDSACASA-N -1 0 385.351 3.601 20 5 GHBDRM CCC[C@H]1CCc2nc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])sc2C1 ZINC000409664411 924859734 /nfs/dbraw/zinc/85/97/34/924859734.db2.gz XDHJKKRRKBJNPU-NSHDSACASA-N -1 0 381.479 3.757 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000410355817 925559121 /nfs/dbraw/zinc/55/91/21/925559121.db2.gz SYSAGOUAIKWMDZ-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000410418400 925637117 /nfs/dbraw/zinc/63/71/17/925637117.db2.gz BEOALXZYNIUALS-UHFFFAOYSA-N -1 0 395.195 3.856 20 5 GHBDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000726327150 926626075 /nfs/dbraw/zinc/62/60/75/926626075.db2.gz WPNCVRMVKVRTIR-NSHDSACASA-N -1 0 388.873 3.660 20 5 GHBDRM CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)ccc21 ZINC000726623216 926769521 /nfs/dbraw/zinc/76/95/21/926769521.db2.gz AIWPYIVKFWUQOY-UHFFFAOYSA-N -1 0 399.403 3.850 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CC[C@H](C)c2ccccc2)cc([N+](=O)[O-])c1C ZINC000750313160 927548766 /nfs/dbraw/zinc/54/87/66/927548766.db2.gz NQJINEFNFDQQNW-ZDUSSCGKSA-N -1 0 390.461 3.600 20 5 GHBDRM CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751269656 928104391 /nfs/dbraw/zinc/10/43/91/928104391.db2.gz OTOTYAHPDWASRQ-UHFFFAOYSA-N -1 0 390.248 3.768 20 5 GHBDRM COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000466974137 928556634 /nfs/dbraw/zinc/55/66/34/928556634.db2.gz QVAQNUIOMFYTHV-UHFFFAOYSA-N -1 0 399.475 3.692 20 5 GHBDRM CCCCCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000467765350 929387854 /nfs/dbraw/zinc/38/78/54/929387854.db2.gz CQQVSYRBYWVSML-UHFFFAOYSA-N -1 0 380.422 3.670 20 5 GHBDRM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000758466846 930055219 /nfs/dbraw/zinc/05/52/19/930055219.db2.gz LYPCGIQHPCTOMA-UHFFFAOYSA-N -1 0 390.739 3.525 20 5 GHBDRM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000469656113 930061005 /nfs/dbraw/zinc/06/10/05/930061005.db2.gz NSHRPVBZBGDKMA-CYBMUJFWSA-N -1 0 389.839 3.519 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000469882660 930233598 /nfs/dbraw/zinc/23/35/98/930233598.db2.gz VJNOBTMMEBGDQQ-INIZCTEOSA-N -1 0 396.321 3.533 20 5 GHBDRM Cc1cc(C2=N/C(=C\c3ccc(C(=O)[O-])cc3Cl)C(=O)O2)ccc1[N+](=O)[O-] ZINC000783682864 931617092 /nfs/dbraw/zinc/61/70/92/931617092.db2.gz FJDXNRIMQHAVGU-ZSOIEALJSA-N -1 0 386.747 3.599 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)on2)cs1 ZINC000783854974 931693161 /nfs/dbraw/zinc/69/31/61/931693161.db2.gz LKXITBPHGCVIIQ-UHFFFAOYSA-N -1 0 385.810 3.766 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C1CC1 ZINC000558047452 931813471 /nfs/dbraw/zinc/81/34/71/931813471.db2.gz LJNQMIBFYRPXPK-UHFFFAOYSA-N -1 0 392.481 3.742 20 5 GHBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1[N+](=O)[O-] ZINC000796686628 932030391 /nfs/dbraw/zinc/03/03/91/932030391.db2.gz JWKAZGWRHLSTKB-UHFFFAOYSA-N -1 0 398.440 3.531 20 5 GHBDRM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)cc1Cl ZINC000798246909 932575173 /nfs/dbraw/zinc/57/51/73/932575173.db2.gz IIPPLFKEDYIOEY-UHFFFAOYSA-N -1 0 396.730 3.790 20 5 GHBDRM C[C@H]1CCCC[C@H]1N(C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798279663 932591826 /nfs/dbraw/zinc/59/18/26/932591826.db2.gz RWOQXPFHLAULOH-WCQYABFASA-N -1 0 392.843 3.790 20 5 GHBDRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000799622947 933066615 /nfs/dbraw/zinc/06/66/15/933066615.db2.gz HDOZEULAWUYFSE-LBPRGKRZSA-N -1 0 394.474 3.604 20 5 GHBDRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1NC(C)C ZINC000560278393 933180736 /nfs/dbraw/zinc/18/07/36/933180736.db2.gz ZWSCICALAMCBAX-UHFFFAOYSA-N -1 0 395.485 3.610 20 5 GHBDRM O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000560692835 933467793 /nfs/dbraw/zinc/46/77/93/933467793.db2.gz WVEMKNMZYRZVQW-UHFFFAOYSA-N -1 0 394.771 3.864 20 5 GHBDRM O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777952301 934355989 /nfs/dbraw/zinc/35/59/89/934355989.db2.gz RWHWGGNJMRKFFA-IAGOWNOFSA-N -1 0 394.349 3.862 20 5 GHBDRM O=C(Nc1c(-c2cccs2)nc2ccccn21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000561986363 934608891 /nfs/dbraw/zinc/60/88/91/934608891.db2.gz TYYYRIHBLBEOOC-UHFFFAOYSA-N -1 0 380.385 3.929 20 5 GHBDRM O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001137688491 935715382 /nfs/dbraw/zinc/71/53/82/935715382.db2.gz LJVAYPWGYKCMTD-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM C[C@@H]1CC2(CCC2)CN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000830479918 935953942 /nfs/dbraw/zinc/95/39/42/935953942.db2.gz LNZGEQFKEDFCCE-LLVKDONJSA-N -1 0 390.827 3.544 20 5 GHBDRM CC[C@@H](Sc1ccccc1)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600880438 939806822 /nfs/dbraw/zinc/80/68/22/939806822.db2.gz ZURWFCYKMYBXFW-APWZRJJASA-N -1 0 388.445 3.582 20 5 GHBDRM O=C([O-])C[C@H]1CCCCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001601949292 971091938 /nfs/dbraw/zinc/09/19/38/971091938.db2.gz IRAIWEWUQBSETH-SSDOTTSWSA-N -1 0 379.171 3.510 20 5 GHBDRM 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3.936 20 5 GHBDRM CC(C)(C(=O)[O-])[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001589597708 987416896 /nfs/dbraw/zinc/41/68/96/987416896.db2.gz AGMFGNGCHCVCIU-RCCFBDPRSA-N -1 0 382.416 3.667 20 5 GHBDRM CC(C)(C(=O)[O-])c1cccc(OC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)c1 ZINC001589651318 987602280 /nfs/dbraw/zinc/60/22/80/987602280.db2.gz XPEUNTKYIGRNLT-UHFFFAOYSA-N -1 0 394.383 3.912 20 5 GHBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC001599810925 988332943 /nfs/dbraw/zinc/33/29/43/988332943.db2.gz IDVJJMHEYHNWGB-AWEZNQCLSA-N -1 0 393.396 3.793 20 5 GHBDRM CSc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001599817267 988448635 /nfs/dbraw/zinc/44/86/35/988448635.db2.gz IZKWZIHVCXJXOC-UHFFFAOYSA-N -1 0 387.417 3.842 20 5 GHBDRM CCc1csc(CC2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)n1 ZINC001597638656 988627061 /nfs/dbraw/zinc/62/70/61/988627061.db2.gz RIYZAPCVUXMJKI-UHFFFAOYSA-N -1 0 375.450 3.771 20 5 GHBDRM 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CSc1ncc([O-])c(-c2nc(-c3ccc4ccc5cccnc5c4n3)no2)n1 ZINC001215054103 1029014325 /nfs/dbraw/zinc/01/43/25/1029014325.db2.gz OLNPBHKEXOEOPF-UHFFFAOYSA-N -1 0 388.412 3.718 20 5 GHBDRM COc1cc([N+](=O)[O-])c(-c2nc(-c3ccc4sc(C)nc4c3)no2)cc1[O-] ZINC001216343809 1029610010 /nfs/dbraw/zinc/61/00/10/1029610010.db2.gz UFLHFHUEBVVGJM-UHFFFAOYSA-N -1 0 384.373 3.944 20 5 GHBDRM COc1ccc(Br)cc1-c1noc(-c2cc([O-])ccc2[N+](=O)[O-])n1 ZINC001216678616 1029727927 /nfs/dbraw/zinc/72/79/27/1029727927.db2.gz NWOIRDXGRICNGM-UHFFFAOYSA-N -1 0 392.165 3.789 20 5 GHBDRM Cc1cc(F)c(-c2noc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])n2)cc1F ZINC001216711723 1029900563 /nfs/dbraw/zinc/90/05/63/1029900563.db2.gz JYXISBXRWLHLAZ-UHFFFAOYSA-N -1 0 378.247 3.512 20 5 GHBDRM Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])n2)c(Cl)c1 ZINC001216711852 1029900688 /nfs/dbraw/zinc/90/06/88/1029900688.db2.gz QNMIZSDWGTUMDM-UHFFFAOYSA-N -1 0 376.712 3.887 20 5 GHBDRM COc1ccc(-c2noc(-c3cc([O-])cc([N+](=O)[O-])c3)n2)cc1Br 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Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc([N+](=O)[O-])cc2[O-])cs1 ZINC001320367374 1055773774 /nfs/dbraw/zinc/77/37/74/1055773774.db2.gz JUIFPVBTRNTTNM-UHFFFAOYSA-N -1 0 381.413 3.935 20 5 GHBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccc(-c2ccccc2)s1 ZINC001322753722 1056834938 /nfs/dbraw/zinc/83/49/38/1056834938.db2.gz ZTMQZWAYWFQPLX-UHFFFAOYSA-N -1 0 394.455 3.504 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2c(s1)C[C@H](C)CC2 ZINC001338378077 1058536401 /nfs/dbraw/zinc/53/64/01/1058536401.db2.gz MHVWDAFPZNWJIF-SNVBAGLBSA-N -1 0 381.479 3.539 20 5 GHBDRM CC(C)n1cc2c(n1)[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])CCC2 ZINC001546071837 1062116678 /nfs/dbraw/zinc/11/66/78/1062116678.db2.gz PYGABKOSONYXOD-CYBMUJFWSA-N -1 0 378.816 3.539 20 5 GHBDRM Cc1cccc(C)c1CN(CC(C)C)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001463943642 1064732254 /nfs/dbraw/zinc/73/22/54/1064732254.db2.gz YOHIXRBICWJZES-UHFFFAOYSA-N -1 0 392.477 3.764 20 5 GHBDRM CC(C)c1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n(Cc2ccccc2)n1 ZINC001300138357 1065412692 /nfs/dbraw/zinc/41/26/92/1065412692.db2.gz OOPYQGGBBZJNHN-UHFFFAOYSA-N -1 0 380.404 3.921 20 5 GHBDRM COc1ccccc1C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C ZINC001465734468 1065817740 /nfs/dbraw/zinc/81/77/40/1065817740.db2.gz YOIKATNCSYGRHW-HNNXBMFYSA-N -1 0 392.839 3.960 20 5 GHBDRM CC(C)(C)OC(=O)NC1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCC1 ZINC001466409222 1066138332 /nfs/dbraw/zinc/13/83/32/1066138332.db2.gz ZSWFVXPFHMTBQT-UHFFFAOYSA-N -1 0 399.831 3.730 20 5 GHBDRM CCOC(=O)c1c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)sc2c1CCCC2 ZINC001466951957 1066410476 /nfs/dbraw/zinc/41/04/76/1066410476.db2.gz LPJFJTNYLAJICU-UHFFFAOYSA-N -1 0 390.417 3.670 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1c(C(F)F)nc2ccccn21 ZINC001546162777 1067305449 /nfs/dbraw/zinc/30/54/49/1067305449.db2.gz WVOXVCFPAZZNOJ-UHFFFAOYSA-N -1 0 382.710 3.791 20 5 GHBDRM 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ZINC000736702807 600116555 /nfs/dbraw/zinc/11/65/55/600116555.db2.gz GRHCKELJXGNGIP-VIFPVBQESA-N -1 0 397.742 3.596 20 5 GHBDRM Cc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(=O)[O-])cc1 ZINC000738563328 600172422 /nfs/dbraw/zinc/17/24/22/600172422.db2.gz ZQXZAEAHFOSXGT-ZDUSSCGKSA-N -1 0 377.784 3.547 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2cc(-c3ccc(Cl)s3)on2)cc([N+](=O)[O-])c1 ZINC000740090847 600188747 /nfs/dbraw/zinc/18/87/47/600188747.db2.gz VVULBAIHRPVXON-UHFFFAOYSA-N -1 0 393.764 3.915 20 5 GHBDRM CC(C)Oc1ccc(Cl)cc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736493750 600191749 /nfs/dbraw/zinc/19/17/49/600191749.db2.gz DEKHGYJKGLOHEP-UHFFFAOYSA-N -1 0 378.768 3.986 20 5 GHBDRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237311633 600253310 /nfs/dbraw/zinc/25/33/10/600253310.db2.gz RRAZETXMORQNGK-NSHDSACASA-N -1 0 376.796 3.650 20 5 GHBDRM O=C([O-])Nc1ccc(CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1 ZINC000740024799 600364087 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ZINC000736712152 600940268 /nfs/dbraw/zinc/94/02/68/600940268.db2.gz IRDBIEZTINJQJC-LBPRGKRZSA-N -1 0 392.408 3.722 20 5 GHBDRM COc1cccc(C(=O)[O-])c1OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000832524189 600971620 /nfs/dbraw/zinc/97/16/20/600971620.db2.gz RRNKVXGQIOTDPN-UHFFFAOYSA-N -1 0 385.250 3.540 20 5 GHBDRM Cc1cc(C(=O)Nc2c(C)c(Br)ccc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000832865084 600978624 /nfs/dbraw/zinc/97/86/24/600978624.db2.gz NDTRFBDFCZPROF-UHFFFAOYSA-N -1 0 393.193 3.925 20 5 GHBDRM CCc1ccc(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000237134885 601058481 /nfs/dbraw/zinc/05/84/81/601058481.db2.gz VDFHAXKZVDZHRG-UHFFFAOYSA-N -1 0 392.358 3.553 20 5 GHBDRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000833178771 601088778 /nfs/dbraw/zinc/08/87/78/601088778.db2.gz IYTGYZQJUANUNA-HOCLYGCPSA-N -1 0 386.404 3.837 20 5 GHBDRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000833179557 601089881 /nfs/dbraw/zinc/08/98/81/601089881.db2.gz OXDLPZNCHANYNA-WBMJQRKESA-N -1 0 380.828 3.744 20 5 GHBDRM COc1ccc(CNc2ccc([N+](=O)[O-])cc2Br)cc1C(=O)[O-] ZINC000738008757 601092628 /nfs/dbraw/zinc/09/26/28/601092628.db2.gz POLALHFOORUJPD-UHFFFAOYSA-N -1 0 381.182 3.676 20 5 GHBDRM Cc1cc(NCc2ccnc(OCC(F)(F)F)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000520412344 601544991 /nfs/dbraw/zinc/54/49/91/601544991.db2.gz VJOBKAKXWXIMLE-UHFFFAOYSA-N -1 0 385.298 3.550 20 5 GHBDRM O=C([O-])CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 ZINC000531748987 601635437 /nfs/dbraw/zinc/63/54/37/601635437.db2.gz BUSKGXWBQVEWQT-UHFFFAOYSA-N -1 0 390.779 3.730 20 5 GHBDRM O=C([O-])C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(Cl)cc1 ZINC000539613967 601664346 /nfs/dbraw/zinc/66/43/46/601664346.db2.gz JAHJHDDYTOUYJB-ZDUSSCGKSA-N -1 0 387.779 3.675 20 5 GHBDRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000833132217 601907829 /nfs/dbraw/zinc/90/78/29/601907829.db2.gz YGIVGCXMTUBIAK-GXTWGEPZSA-N -1 0 399.241 3.511 20 5 GHBDRM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c1 ZINC000740023302 602507765 /nfs/dbraw/zinc/50/77/65/602507765.db2.gz PGJXXBSYMMLLKO-UHFFFAOYSA-N -1 0 387.417 4.000 20 5 GHBDRM O=C([O-])N1CCc2c(cccc2NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000740473418 603182153 /nfs/dbraw/zinc/18/21/53/603182153.db2.gz VKHVIQLKBCZEDU-UHFFFAOYSA-N -1 0 375.768 3.537 20 5 GHBDRM CC[C@H](NC(=O)Nc1cccc2c1CCN2C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000826612750 603987183 /nfs/dbraw/zinc/98/71/83/603987183.db2.gz BHAXYFXSNPZCJN-HNNXBMFYSA-N -1 0 384.392 3.908 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCO[C@H](c3cccc(F)c3)C2)cc1Cl ZINC000833308003 604264502 /nfs/dbraw/zinc/26/45/02/604264502.db2.gz VNLYMGRMKMLFJK-INIZCTEOSA-N -1 0 380.759 3.663 20 5 GHBDRM CN(Cc1nc2c(s1)CCCC2)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000830875137 604270706 /nfs/dbraw/zinc/27/07/06/604270706.db2.gz WVKQTFYEOYQITE-UHFFFAOYSA-N -1 0 381.841 3.918 20 5 GHBDRM O=C([O-])CCCN(Cc1ccccc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000191202133 604371497 /nfs/dbraw/zinc/37/14/97/604371497.db2.gz NVDXHZCCMKFQPT-UHFFFAOYSA-N -1 0 390.823 3.684 20 5 GHBDRM CCOc1ccc(C2=CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CC2)cc1 ZINC000833662832 604579509 /nfs/dbraw/zinc/57/95/09/604579509.db2.gz CLUKPVWSJLAGJL-UHFFFAOYSA-N -1 0 396.399 3.621 20 5 GHBDRM C[C@@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1c(F)cccc1-n1cccn1 ZINC000827843074 604703090 /nfs/dbraw/zinc/70/30/90/604703090.db2.gz CAOSZLBUYKUGRY-LLVKDONJSA-N -1 0 399.334 3.536 20 5 GHBDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000537403105 604759965 /nfs/dbraw/zinc/75/99/65/604759965.db2.gz QBNVJVKBEKZOGJ-UHFFFAOYSA-N -1 0 381.388 3.620 20 5 GHBDRM Cc1nn(CN(CCCC(=O)[O-])Cc2ccccc2)c2ccc([N+](=O)[O-])cc12 ZINC000833017043 604764223 /nfs/dbraw/zinc/76/42/23/604764223.db2.gz TZQFRVKXWUSZHC-UHFFFAOYSA-N -1 0 382.420 3.577 20 5 GHBDRM O=C([O-])COc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1Cl ZINC000833258799 604848311 /nfs/dbraw/zinc/84/83/11/604848311.db2.gz ZWMMSQSBCJIMGM-UHFFFAOYSA-N -1 0 385.159 3.617 20 5 GHBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])c2ccccc21 ZINC000833621538 605002452 /nfs/dbraw/zinc/00/24/52/605002452.db2.gz KFFXJOUZAAXSIJ-LBPRGKRZSA-N -1 0 386.429 3.926 20 5 GHBDRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000833522164 605122341 /nfs/dbraw/zinc/12/23/41/605122341.db2.gz XKFOODSNQHAAHM-CYBMUJFWSA-N -1 0 398.419 3.776 20 5 GHBDRM CN(C(=O)[O-])c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1 ZINC000833685871 605144734 /nfs/dbraw/zinc/14/47/34/605144734.db2.gz SZFRJUGZXIKCSQ-UHFFFAOYSA-N -1 0 394.181 3.724 20 5 GHBDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000833419719 605456018 /nfs/dbraw/zinc/45/60/18/605456018.db2.gz VTWPFPPOLZDCEY-UHFFFAOYSA-N -1 0 394.330 3.811 20 5 GHBDRM C[C@H](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000824565512 605533428 /nfs/dbraw/zinc/53/34/28/605533428.db2.gz OBUADONKOBFEKP-CQSZACIVSA-N -1 0 389.452 3.502 20 5 GHBDRM CCCCCc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000176591915 837452575 /nfs/dbraw/zinc/45/25/75/837452575.db2.gz DQJBYCPPJDYZCC-UHFFFAOYSA-N -1 0 390.874 3.633 20 5 GHBDRM Cc1cc(Cl)ccc1N1C(=O)C(=Cc2ccc([N+](=O)[O-])c([O-])c2)NC1=S ZINC000255074472 837566660 /nfs/dbraw/zinc/56/66/60/837566660.db2.gz JVNOAFHUXMBDMZ-KPKJPENVSA-N -1 0 389.820 3.524 20 5 GHBDRM CCc1nc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000414387993 837571593 /nfs/dbraw/zinc/57/15/93/837571593.db2.gz ZJUKAJFKHMKUQG-UHFFFAOYSA-N -1 0 395.384 3.742 20 5 GHBDRM COc1ccc2[nH]cc(C3CCN(C(=O)c4ccc([N+](=O)[O-])c([O-])c4)CC3)c2c1 ZINC000097676518 835336191 /nfs/dbraw/zinc/33/61/91/835336191.db2.gz LSDZNXOYZGICQG-UHFFFAOYSA-N -1 0 395.415 3.810 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2nc3c(ccc(F)c3F)s2)ccc1[N+](=O)[O-] ZINC000500851702 844067301 /nfs/dbraw/zinc/06/73/01/844067301.db2.gz IONAGXNXVNPTDN-UHFFFAOYSA-N -1 0 385.373 3.592 20 5 GHBDRM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000540849790 835768438 /nfs/dbraw/zinc/76/84/38/835768438.db2.gz NXKUHPLRWWLFMN-NOZJJQNGSA-N -1 0 389.795 3.801 20 5 GHBDRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1C ZINC000134778407 835960654 /nfs/dbraw/zinc/96/06/54/835960654.db2.gz OBCALNRGXONSQK-UHFFFAOYSA-N -1 0 382.825 3.868 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N=c1[n-]nc(SCc2cccs2)s1 ZINC000511632584 840916094 /nfs/dbraw/zinc/91/60/94/840916094.db2.gz ZECAZTULCZULQU-UHFFFAOYSA-N -1 0 392.487 3.783 20 5 GHBDRM O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000511838226 840916580 /nfs/dbraw/zinc/91/65/80/840916580.db2.gz MWJVAWMHINVBTA-UHFFFAOYSA-N -1 0 377.356 3.550 20 5 GHBDRM COC(=O)[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000549544412 841638388 /nfs/dbraw/zinc/63/83/88/841638388.db2.gz NORIFHKDWIRJSN-HNNXBMFYSA-N -1 0 385.203 3.611 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000123401501 841764375 /nfs/dbraw/zinc/76/43/75/841764375.db2.gz XAEGDZNLZQBJLV-LBPRGKRZSA-N -1 0 380.322 3.949 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000119528502 842263333 /nfs/dbraw/zinc/26/33/33/842263333.db2.gz BTYNGBAVOKSVKH-IUCAKERBSA-N -1 0 386.779 3.648 20 5 GHBDRM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)ccc21 ZINC000050532999 842698015 /nfs/dbraw/zinc/69/80/15/842698015.db2.gz YAWSSPDRVUUPPX-UHFFFAOYSA-N -1 0 389.433 3.769 20 5 GHBDRM COc1cc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)ccc1OC1CCCC1 ZINC000603902225 861358734 /nfs/dbraw/zinc/35/87/34/861358734.db2.gz TUDNLEYOPOFYAF-UHFFFAOYSA-N -1 0 386.404 3.560 20 5 GHBDRM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181932575 843627442 /nfs/dbraw/zinc/62/74/42/843627442.db2.gz LHMWRMNVAYNHIT-AWEZNQCLSA-N -1 0 397.431 3.876 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(C3(C)CCCC3)on2)c1 ZINC000432962337 844752267 /nfs/dbraw/zinc/75/22/67/844752267.db2.gz WAMYAUQVVCYSSO-UHFFFAOYSA-N -1 0 379.438 3.832 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1OC1CCCC1 ZINC000610897206 844768912 /nfs/dbraw/zinc/76/89/12/844768912.db2.gz FVDNIOLCQUGCLU-UHFFFAOYSA-N -1 0 380.397 3.856 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000176636478 845333259 /nfs/dbraw/zinc/33/32/59/845333259.db2.gz UYZINWNMFKJSHD-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM C[C@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000563142490 845390044 /nfs/dbraw/zinc/39/00/44/845390044.db2.gz MCWPHUCGRIYKRI-XJKSGUPXSA-N -1 0 383.404 3.521 20 5 GHBDRM Cc1cc(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000262963780 845729691 /nfs/dbraw/zinc/72/96/91/845729691.db2.gz JJQOGCFPONHDNC-UHFFFAOYSA-N -1 0 382.416 3.696 20 5 GHBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000263231973 846025581 /nfs/dbraw/zinc/02/55/81/846025581.db2.gz QPGYSOYONKSVHG-PBHICJAKSA-N -1 0 397.431 3.532 20 5 GHBDRM Cc1ccc(Sc2ccc(C(=O)N(C)C[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000263276647 846088691 /nfs/dbraw/zinc/08/86/91/846088691.db2.gz WTLVQIHTFCLOLG-CYBMUJFWSA-N -1 0 388.445 3.847 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)ccc1[O-] ZINC000604035419 861654726 /nfs/dbraw/zinc/65/47/26/861654726.db2.gz LKYOCZBZZSBHAI-GOSISDBHSA-N -1 0 394.424 3.649 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000604100472 861784173 /nfs/dbraw/zinc/78/41/73/861784173.db2.gz PSNYUNHVYLVODZ-LBPRGKRZSA-N -1 0 378.787 3.940 20 5 GHBDRM CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237149648 847529995 /nfs/dbraw/zinc/52/99/95/847529995.db2.gz SFZJMEIQSXPSTB-UHFFFAOYSA-N -1 0 382.294 3.584 20 5 GHBDRM O=[N+]([O-])c1ccc(OC(F)F)c([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)c1 ZINC000176687395 847680220 /nfs/dbraw/zinc/68/02/20/847680220.db2.gz NGNFPQOQUBVNQR-BQYQJAHWSA-N -1 0 388.323 3.748 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C(=O)[O-])C3)c([N+](=O)[O-])c2)cc1 ZINC000422556491 847688824 /nfs/dbraw/zinc/68/88/24/847688824.db2.gz FIRSSNYZZYIOET-ZBFHGGJFSA-N -1 0 397.431 3.703 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)c([N+](=O)[O-])c1 ZINC000509538670 847803450 /nfs/dbraw/zinc/80/34/50/847803450.db2.gz HAZHSYIGZYSDNU-UHFFFAOYSA-N -1 0 390.417 3.746 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N(CCc1ccccc1)Cc1cccnc1 ZINC000183546710 847933964 /nfs/dbraw/zinc/93/39/64/847933964.db2.gz NVHASWKGHBHOOA-UHFFFAOYSA-N -1 0 377.400 3.581 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(C)c1 ZINC000731782092 861888513 /nfs/dbraw/zinc/88/85/13/861888513.db2.gz IXZVVLISYQCWAL-UHFFFAOYSA-N -1 0 375.450 3.613 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cccc(-c2cnco2)c1 ZINC000146141766 849476705 /nfs/dbraw/zinc/47/67/05/849476705.db2.gz FOCBOMNZJBOWGI-UHFFFAOYSA-N -1 0 379.781 3.704 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(OC(F)F)c1 ZINC000504024513 849839177 /nfs/dbraw/zinc/83/91/77/849839177.db2.gz ORGQDAJNSWRUFV-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000126462445 850004549 /nfs/dbraw/zinc/00/45/49/850004549.db2.gz RALKPOHXMNUVPH-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2csc(-c3ccncc3)n2)c(Cl)c1 ZINC000185967980 862087383 /nfs/dbraw/zinc/08/73/83/862087383.db2.gz GEFJBSXZTBLBNY-UHFFFAOYSA-N -1 0 396.837 3.568 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)c([N+](=O)[O-])c1 ZINC000514982269 850551853 /nfs/dbraw/zinc/55/18/53/850551853.db2.gz QLUXSCSLMPQZGY-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)c1 ZINC000515699209 851373922 /nfs/dbraw/zinc/37/39/22/851373922.db2.gz RIEUDHXOEAIHKU-UHFFFAOYSA-N -1 0 384.413 3.975 20 5 GHBDRM O=[N+]([O-])c1cc(F)c(CSc2n[n-]c(=NCc3ccco3)s2)c(F)c1 ZINC000505448928 851380394 /nfs/dbraw/zinc/38/03/94/851380394.db2.gz HSGBFAJNGJNUJL-UHFFFAOYSA-N -1 0 384.389 3.644 20 5 GHBDRM O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000515748663 851422633 /nfs/dbraw/zinc/42/26/33/851422633.db2.gz UEVKAFQZWRLCIX-AWEZNQCLSA-N -1 0 398.202 3.719 20 5 GHBDRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])cc2)oc1C ZINC000604491031 862249586 /nfs/dbraw/zinc/24/95/86/862249586.db2.gz FXRKJFKNESNLIB-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM O=C([O-])C[C@@H](c1ccccc1)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604498292 862257739 /nfs/dbraw/zinc/25/77/39/862257739.db2.gz GMQNQLKJBPZLCR-IBGZPJMESA-N -1 0 382.416 3.706 20 5 GHBDRM CCCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000436496972 851972932 /nfs/dbraw/zinc/97/29/32/851972932.db2.gz RQJHPWNKDPZQQB-AWEZNQCLSA-N -1 0 385.420 3.570 20 5 GHBDRM CCc1ccc(-n2nc(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)c3c2CCC3)cc1 ZINC000436615343 852116325 /nfs/dbraw/zinc/11/63/25/852116325.db2.gz AEDDHGTZNBXRMO-UHFFFAOYSA-N -1 0 392.415 3.790 20 5 GHBDRM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436634456 852128678 /nfs/dbraw/zinc/12/86/78/852128678.db2.gz OTLSEYALOKLVJU-CYBMUJFWSA-N -1 0 392.795 3.764 20 5 GHBDRM CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000436622038 852134581 /nfs/dbraw/zinc/13/45/81/852134581.db2.gz WQYNMSSXCFLDIB-UHFFFAOYSA-N -1 0 396.403 3.773 20 5 GHBDRM Cc1ccc([C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)[O-])cc1 ZINC000426710129 852315527 /nfs/dbraw/zinc/31/55/27/852315527.db2.gz HYYAGVQZSGSOJJ-KRWDZBQOSA-N -1 0 383.429 3.942 20 5 GHBDRM O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436872274 852435444 /nfs/dbraw/zinc/43/54/44/852435444.db2.gz VTVWKZWTWAWMAP-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM O=C([O-])[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccsc1 ZINC000426836053 852443543 /nfs/dbraw/zinc/44/35/43/852443543.db2.gz SUIBNOOUXXQOMN-AWEZNQCLSA-N -1 0 375.431 3.695 20 5 GHBDRM COc1ccc(F)cc1-c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n1 ZINC000436887405 852461508 /nfs/dbraw/zinc/46/15/08/852461508.db2.gz OOBSRLYSCRCVRW-UHFFFAOYSA-N -1 0 389.364 3.824 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000436940848 852523029 /nfs/dbraw/zinc/52/30/29/852523029.db2.gz YNUYFPOSTSOWRK-UHFFFAOYSA-N -1 0 396.230 3.570 20 5 GHBDRM CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436946716 852528880 /nfs/dbraw/zinc/52/88/80/852528880.db2.gz BMTGVWCSXTVAEM-UHFFFAOYSA-N -1 0 383.282 3.530 20 5 GHBDRM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436948206 852530047 /nfs/dbraw/zinc/53/00/47/852530047.db2.gz JECALCYCKRNLHO-ZDUSSCGKSA-N -1 0 392.795 3.764 20 5 GHBDRM O=C(NCc1ccc(OCc2ccccc2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436952431 852543555 /nfs/dbraw/zinc/54/35/55/852543555.db2.gz WFHGILNARBHLTI-UHFFFAOYSA-N -1 0 378.384 3.809 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000507086249 852551854 /nfs/dbraw/zinc/55/18/54/852551854.db2.gz NJOJIJYYCVPZGC-CYBMUJFWSA-N -1 0 390.823 3.885 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000436973655 852558615 /nfs/dbraw/zinc/55/86/15/852558615.db2.gz UHPSTQFAAMGGGN-GFCCVEGCSA-N -1 0 397.214 3.901 20 5 GHBDRM O=C(NCc1ccccc1OCc1ccccc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000507717598 853198346 /nfs/dbraw/zinc/19/83/46/853198346.db2.gz KRGWCOPMOPOBIA-UHFFFAOYSA-N -1 0 378.384 3.809 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C(c1ccccc1)c1ccccc1 ZINC000518640071 853584792 /nfs/dbraw/zinc/58/47/92/853584792.db2.gz MAXNZHLAFPERLX-UHFFFAOYSA-N -1 0 386.404 3.802 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2cc(F)c(C)cc2s1 ZINC000481885038 862480594 /nfs/dbraw/zinc/48/05/94/862480594.db2.gz YEQSUVYESWEBSN-UHFFFAOYSA-N -1 0 381.410 3.761 20 5 GHBDRM C[C@H](NC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000572318907 854461369 /nfs/dbraw/zinc/46/13/69/854461369.db2.gz SNBQZGGEQLIFFS-LBPRGKRZSA-N -1 0 391.811 3.606 20 5 GHBDRM O=C([O-])CC1(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000572461553 854534177 /nfs/dbraw/zinc/53/41/77/854534177.db2.gz KHERJBBUUWPNGA-UHFFFAOYSA-N -1 0 386.857 3.634 20 5 GHBDRM O=C(Nc1nc2c(cccc2Br)s1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000553745154 855398744 /nfs/dbraw/zinc/39/87/44/855398744.db2.gz FGAJBJOHVAIGTB-UHFFFAOYSA-N -1 0 394.206 3.925 20 5 GHBDRM O=C(Cc1csc(-c2ccoc2)n1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000542753438 855634390 /nfs/dbraw/zinc/63/43/90/855634390.db2.gz URTZDVZJFBHNCQ-UHFFFAOYSA-N -1 0 379.781 3.852 20 5 GHBDRM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])o1 ZINC000043005214 856093703 /nfs/dbraw/zinc/09/37/03/856093703.db2.gz ITJJSWXCPCUZPY-UHFFFAOYSA-N -1 0 380.382 3.723 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccnn2[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000171342749 856097872 /nfs/dbraw/zinc/09/78/72/856097872.db2.gz ULTQXDAFICIWFC-SNVBAGLBSA-N -1 0 384.845 3.525 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)c([N+](=O)[O-])c1 ZINC000591582613 856164177 /nfs/dbraw/zinc/16/41/77/856164177.db2.gz NXJATHXATRYMJM-UHFFFAOYSA-N -1 0 391.430 3.528 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-c2ncc3n2CCCC3)cc1 ZINC000171779307 856261979 /nfs/dbraw/zinc/26/19/79/856261979.db2.gz USLBVCJLAZGMPZ-UHFFFAOYSA-N -1 0 398.444 3.595 20 5 GHBDRM CC(C)N(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000485371459 856417989 /nfs/dbraw/zinc/41/79/89/856417989.db2.gz JKGZQKZRFWPVGI-UHFFFAOYSA-N -1 0 392.795 3.976 20 5 GHBDRM COCc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(C(=O)[O-])c1 ZINC000427662726 856509409 /nfs/dbraw/zinc/50/94/09/856509409.db2.gz LLYBUKDOPOPGLI-UHFFFAOYSA-N -1 0 386.385 3.906 20 5 GHBDRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000485729229 857003198 /nfs/dbraw/zinc/00/31/98/857003198.db2.gz BSEAUXQZJUPNFN-AWEZNQCLSA-N -1 0 397.431 3.532 20 5 GHBDRM Cc1sc(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000428048672 857061039 /nfs/dbraw/zinc/06/10/39/857061039.db2.gz NVEAIQJOERZXPD-UHFFFAOYSA-N -1 0 383.429 3.705 20 5 GHBDRM C[C@H](OCCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000508265811 857121078 /nfs/dbraw/zinc/12/10/78/857121078.db2.gz SYQWFYZXVCLVCG-ZDUSSCGKSA-N -1 0 398.868 3.694 20 5 GHBDRM O=C(N[C@@H]1CSc2ccc(Br)cc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000428188174 857169785 /nfs/dbraw/zinc/16/97/85/857169785.db2.gz VYVHRCLZPGCNQJ-CYBMUJFWSA-N -1 0 395.234 3.640 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000509216293 862909314 /nfs/dbraw/zinc/90/93/14/862909314.db2.gz FVEWXICTNKAFPV-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM CC(C)c1ccc(C(C)(C)NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC001212485190 857863530 /nfs/dbraw/zinc/86/35/30/857863530.db2.gz BGTZIFPPKZKHQK-UHFFFAOYSA-N -1 0 378.450 3.637 20 5 GHBDRM Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000428254949 857980809 /nfs/dbraw/zinc/98/08/09/857980809.db2.gz ILNDNKXDCLHESD-UHFFFAOYSA-N -1 0 378.797 3.668 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c(Br)c1 ZINC000442826282 858149157 /nfs/dbraw/zinc/14/91/57/858149157.db2.gz IUXRQNUAESVZTQ-UHFFFAOYSA-N -1 0 397.206 3.904 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C2CC2)cc1Cl ZINC000594463939 858197978 /nfs/dbraw/zinc/19/79/78/858197978.db2.gz LWYSWLMPAYTYDR-UHFFFAOYSA-N -1 0 382.825 3.935 20 5 GHBDRM CCO[C@H](C)c1nc(CN(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cs1 ZINC000592766725 858222669 /nfs/dbraw/zinc/22/26/69/858222669.db2.gz FVOKCTBEFYXWID-SECBINFHSA-N -1 0 399.856 3.780 20 5 GHBDRM O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592786638 858235078 /nfs/dbraw/zinc/23/50/78/858235078.db2.gz CJFNSNKCTAXVQB-XJKSGUPXSA-N -1 0 394.786 3.743 20 5 GHBDRM CO[C@](C)(CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)COCc1ccccc1 ZINC000594735612 858268776 /nfs/dbraw/zinc/26/87/76/858268776.db2.gz KRMKZNVSFKHMJB-HXUWFJFHSA-N -1 0 388.420 3.635 20 5 GHBDRM Cc1cc(N2CCN([C@@H](C)c3cccc(F)c3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592971898 858456664 /nfs/dbraw/zinc/45/66/64/858456664.db2.gz VTHJHSLZZBKAJR-AWEZNQCLSA-N -1 0 387.411 3.624 20 5 GHBDRM Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160243822 858732909 /nfs/dbraw/zinc/73/29/09/858732909.db2.gz LCNOUGFBYLQLTC-KRWDZBQOSA-N -1 0 392.415 3.983 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cccc(Br)c2C)ccc1[N+](=O)[O-] ZINC000522359038 859178198 /nfs/dbraw/zinc/17/81/98/859178198.db2.gz QFWMKHIUXAAZCO-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)cc1C ZINC000060443133 859273634 /nfs/dbraw/zinc/27/36/34/859273634.db2.gz JIXLUEKNSIDFGY-UHFFFAOYSA-N -1 0 378.406 3.520 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)cc1C ZINC000060441684 859273824 /nfs/dbraw/zinc/27/38/24/859273824.db2.gz JSUANIOVGDVFTD-UHFFFAOYSA-N -1 0 391.449 3.607 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1OC(C)C ZINC000466972039 859420877 /nfs/dbraw/zinc/42/08/77/859420877.db2.gz BHFFDAHIVBJTSQ-UHFFFAOYSA-N -1 0 386.451 3.561 20 5 GHBDRM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000007053254 859441336 /nfs/dbraw/zinc/44/13/36/859441336.db2.gz LPKRBBIXSZCOMA-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccn(-c2cccc(F)c2)n1 ZINC000611484528 859781311 /nfs/dbraw/zinc/78/13/11/859781311.db2.gz WFJKXNBKOPOHLV-UHFFFAOYSA-N -1 0 376.731 3.531 20 5 GHBDRM CCC[C@@H]1CCc2nc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])sc2C1 ZINC000727252901 860005569 /nfs/dbraw/zinc/00/55/69/860005569.db2.gz SQCIOFBHGAGPMK-SNVBAGLBSA-N -1 0 399.469 3.896 20 5 GHBDRM Cc1ccc2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2n1 ZINC000727361526 860053971 /nfs/dbraw/zinc/05/39/71/860053971.db2.gz 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GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC001595212600 980000956 /nfs/dbraw/zinc/00/09/56/980000956.db2.gz OSUHPPXTJGQQDC-OQIJWPOYSA-N -1 0 388.464 3.655 20 5 GHBDRM COc1ccc(C(=O)[O-])c2c1C[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)CC2 ZINC000901550983 980374951 /nfs/dbraw/zinc/37/49/51/980374951.db2.gz DLOUFBMWXMQKPT-GXDHUFHOSA-N -1 0 382.416 3.763 20 5 GHBDRM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595373246 980870747 /nfs/dbraw/zinc/87/07/47/980870747.db2.gz GBODCZAMXQSZRE-JKSUJKDBSA-N -1 0 393.440 3.659 20 5 GHBDRM CC[C@](C)(NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)c1nccs1 ZINC001594841713 982057380 /nfs/dbraw/zinc/05/73/80/982057380.db2.gz LQDRIHTUGBAYKD-INIZCTEOSA-N -1 0 378.410 3.505 20 5 GHBDRM C/C(=C/c1ccc(Cl)cc1)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001588999537 984939017 /nfs/dbraw/zinc/93/90/17/984939017.db2.gz WROQKXONUQZXFB-LEVJEWGPSA-N -1 0 388.807 3.768 20 5 GHBDRM CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)Nc1cc(C(=O)[O-])sc1C ZINC001589183708 985562254 /nfs/dbraw/zinc/56/22/54/985562254.db2.gz CEICZZJTGNLQLD-UHFFFAOYSA-N -1 0 397.796 3.527 20 5 GHBDRM Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000468024165 1015160011 /nfs/dbraw/zinc/16/00/11/1015160011.db2.gz INSMYARUSZSHHK-UHFFFAOYSA-N -1 0 384.417 3.746 20 5 GHBDRM C[C@@H](C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)c1cccc([N+](=O)[O-])c1 ZINC001589406900 986594083 /nfs/dbraw/zinc/59/40/83/986594083.db2.gz LCSGPFJDHGAHKC-CXAGYDPISA-N -1 0 382.416 3.633 20 5 GHBDRM C[C@H](C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)c1cccc([N+](=O)[O-])c1 ZINC001589444268 986797199 /nfs/dbraw/zinc/79/71/99/986797199.db2.gz JYPUXGMKXXCWFN-VIFPVBQESA-N -1 0 377.422 3.789 20 5 GHBDRM C[C@@H](C(=O)[O-])[C@H](NCc1c(Br)cccc1[N+](=O)[O-])c1ccccc1 ZINC001589467211 986924405 /nfs/dbraw/zinc/92/44/05/986924405.db2.gz BBKRTRUISAFRPN-BZNIZROVSA-N -1 0 393.237 3.909 20 5 GHBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(CC)c(C(=O)[O-])s1 ZINC001597272710 987323591 /nfs/dbraw/zinc/32/35/91/987323591.db2.gz JVGANHQYLYYKPD-UHFFFAOYSA-N -1 0 381.435 3.676 20 5 GHBDRM CC(C)(C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001589567020 987332414 /nfs/dbraw/zinc/33/24/14/987332414.db2.gz MDFXQNYTUUSZQH-QGZVFWFLSA-N -1 0 376.453 3.660 20 5 GHBDRM CC(C)(C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)c1ccc([N+](=O)[O-])cc1 ZINC001589569991 987337267 /nfs/dbraw/zinc/33/72/67/987337267.db2.gz DIPBDOKFZKROOP-INIZCTEOSA-N -1 0 396.443 3.807 20 5 GHBDRM CC[C@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001597334292 987468719 /nfs/dbraw/zinc/46/87/19/987468719.db2.gz LYGGVLZGBJJALD-QRVBRYPASA-N -1 0 397.431 3.556 20 5 GHBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC001599810285 988322877 /nfs/dbraw/zinc/32/28/77/988322877.db2.gz NWFSZTAQCWNCLL-PXAZEXFGSA-N -1 0 388.445 3.752 20 5 GHBDRM CCc1cccc2c1OCC[C@H]2NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001597603665 988471127 /nfs/dbraw/zinc/47/11/27/988471127.db2.gz NRPBUWMWFLTANA-OAHLLOKOSA-N -1 0 399.403 3.809 20 5 GHBDRM CSc1cccc(-c2nc(COc3cccc(C(=O)[O-])c3)no2)c1[N+](=O)[O-] ZINC001599823033 988548049 /nfs/dbraw/zinc/54/80/49/988548049.db2.gz UKVRALUFRCBYNT-UHFFFAOYSA-N -1 0 387.373 3.644 20 5 GHBDRM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1Br)c1ccccc1[N+](=O)[O-] ZINC001599841092 988831767 /nfs/dbraw/zinc/83/17/67/988831767.db2.gz LCRGLQVSMUGIGF-BMIGLBTASA-N -1 0 379.210 3.834 20 5 GHBDRM C[C@@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-n2cccn2)c(F)c1 ZINC001599846598 988942552 /nfs/dbraw/zinc/94/25/52/988942552.db2.gz JRCBDPVRANRSKT-LLVKDONJSA-N -1 0 399.334 3.536 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001590475640 990050204 /nfs/dbraw/zinc/05/02/04/990050204.db2.gz QIMRSPZLRHVUDD-HNNXBMFYSA-N -1 0 376.453 3.903 20 5 GHBDRM CN(CC(=O)Nc1ccc(C(=O)[O-])c2ccccc12)c1ccccc1[N+](=O)[O-] ZINC001598396726 991662820 /nfs/dbraw/zinc/66/28/20/991662820.db2.gz GZGUNNMXABLNRF-UHFFFAOYSA-N -1 0 379.372 3.521 20 5 GHBDRM CN(CCCOc1cccc(Cl)c1)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001598482208 992172170 /nfs/dbraw/zinc/17/21/70/992172170.db2.gz IZPWOPVOKHOUHA-UHFFFAOYSA-N -1 0 378.812 3.781 20 5 GHBDRM CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598525905 992720428 /nfs/dbraw/zinc/72/04/28/992720428.db2.gz WATYVAIEIAZGCS-HNNXBMFYSA-N -1 0 388.729 3.923 20 5 GHBDRM O=[N+]([O-])c1ccccc1[C@H](Oc1nc2ncnc-2c(S)[n-]1)c1ccccc1 ZINC001226783130 1032126079 /nfs/dbraw/zinc/12/60/79/1032126079.db2.gz VOOAWVPXCIGPLD-OAHLLOKOSA-N -1 0 379.401 3.718 20 5 GHBDRM COc1ccc(OC(F)F)c(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC001599600530 993808843 /nfs/dbraw/zinc/80/88/43/993808843.db2.gz OUSVCPLCDYTBJL-UHFFFAOYSA-N -1 0 382.319 3.824 20 5 GHBDRM C[C@](NC(=O)c1cc(Cl)sc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593154489 993963490 /nfs/dbraw/zinc/96/34/90/993963490.db2.gz DNZROCUJAAGURC-CQSZACIVSA-N -1 0 389.216 3.693 20 5 GHBDRM CN=[S@](C)(=O)c1cccc(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001598632557 994194397 /nfs/dbraw/zinc/19/43/97/994194397.db2.gz HFMNMKCVNFUPDK-QGVYAHRCSA-N -1 0 375.406 3.523 20 5 GHBDRM C[C@](NCc1cc(Br)c([N+](=O)[O-])s1)(C(=O)[O-])c1ccccc1 ZINC001593289403 994663316 /nfs/dbraw/zinc/66/33/16/994663316.db2.gz SCEDBFFSCUFTSY-CQSZACIVSA-N -1 0 385.239 3.508 20 5 GHBDRM CCCCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c(C)c1 ZINC000468780229 1016025325 /nfs/dbraw/zinc/02/53/25/1016025325.db2.gz BKNZOEIMLAELOY-UHFFFAOYSA-N -1 0 394.449 3.892 20 5 GHBDRM COC(=O)/C=C/c1ccc(Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001598835006 996475798 /nfs/dbraw/zinc/47/57/98/996475798.db2.gz TUADPEWFLHRDEJ-IUOOVCRGSA-N -1 0 382.372 3.713 20 5 GHBDRM COCc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc(C(=O)[O-])c1 ZINC001599288438 997021646 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COc1cccc([C@H]2C[C@H](NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)c1 ZINC001140817884 1022620579 /nfs/dbraw/zinc/62/05/79/1022620579.db2.gz PEYGSRVCABXGNT-AULYBMBSSA-N -1 0 376.796 3.638 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)cc1[N+](=O)[O-] ZINC000754829170 1022918573 /nfs/dbraw/zinc/91/85/73/1022918573.db2.gz YPIXRIXULWJSJH-UHFFFAOYSA-N -1 0 392.824 3.748 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c1F ZINC000754955251 1022983142 /nfs/dbraw/zinc/98/31/42/1022983142.db2.gz WBLFJCQQAFNUTI-UHFFFAOYSA-N -1 0 394.302 3.568 20 5 GHBDRM O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755097685 1023071309 /nfs/dbraw/zinc/07/13/09/1023071309.db2.gz DNXYVDQSVBXNLW-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000836758056 1023343355 /nfs/dbraw/zinc/34/33/55/1023343355.db2.gz XTMVSCSBFJQSRT-BXUZGUMPSA-N -1 0 378.450 3.565 20 5 GHBDRM CC(C)CC1(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC1 ZINC000756251596 1023565454 /nfs/dbraw/zinc/56/54/54/1023565454.db2.gz ZTZNBSKXVQNTHC-UHFFFAOYSA-N -1 0 388.873 3.660 20 5 GHBDRM COc1ccc(OC[C@H](C)Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])cc1 ZINC001228858134 1033141577 /nfs/dbraw/zinc/14/15/77/1033141577.db2.gz DABLOILCULLKEW-VIFPVBQESA-N -1 0 388.298 3.569 20 5 GHBDRM CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c2ccccc21 ZINC001164406942 1026507234 /nfs/dbraw/zinc/50/72/34/1026507234.db2.gz ZTPQBVNFDCZJNQ-SJORKVTESA-N -1 0 398.415 3.601 20 5 GHBDRM CC(C)(C)OC(=O)NCCOc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC001210398488 1027488590 /nfs/dbraw/zinc/48/85/90/1027488590.db2.gz KTXIITWEIQNYIZ-UHFFFAOYSA-N -1 0 389.408 3.948 20 5 GHBDRM O=[N+]([O-])c1cc(Nc2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1[O-] ZINC001210400120 1027490416 /nfs/dbraw/zinc/49/04/16/1027490416.db2.gz BEJSASJJDSGDTH-UHFFFAOYSA-N -1 0 383.326 3.899 20 5 GHBDRM O=[N+]([O-])c1cc(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)ccc1F ZINC001211193374 1027833591 /nfs/dbraw/zinc/83/35/91/1027833591.db2.gz SRMUZMUGFPGADJ-UHFFFAOYSA-N -1 0 378.337 3.583 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-][C@H](c2cccc(Cl)c2)C(F)F)c([N+](=O)[O-])s1 ZINC001213509022 1028233472 /nfs/dbraw/zinc/23/34/72/1028233472.db2.gz FDJVFOLMBLPBJS-LLVKDONJSA-N -1 0 396.824 3.903 20 5 GHBDRM CC1CCC(CNC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])CC1 ZINC001142279812 1028561150 /nfs/dbraw/zinc/56/11/50/1028561150.db2.gz GDLJKTFGMBRTIG-UHFFFAOYSA-N -1 0 392.843 3.696 20 5 GHBDRM O=[N+]([O-])c1cc(F)cc(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)c1 ZINC001216484039 1029658387 /nfs/dbraw/zinc/65/83/87/1029658387.db2.gz ABZPCIXOYOHOCR-UHFFFAOYSA-N -1 0 378.337 3.583 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2nc(-c3ccc(Br)c(F)c3)no2)c1[O-] ZINC001216700712 1029734533 /nfs/dbraw/zinc/73/45/33/1029734533.db2.gz JGPXVWRTPHXDNB-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM COc1cc(-c2noc(-c3cccc([N+](=O)[O-])c3[O-])n2)cc(Cl)c1OC 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398.140 3.552 20 5 GHBDRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000178249907 600624331 /nfs/dbraw/zinc/62/43/31/600624331.db2.gz ZTKMFXXJGFRIDR-UHFFFAOYSA-N -1 0 389.795 3.799 20 5 GHBDRM COc1cc(NCc2cc([N+](=O)[O-])ccc2OC(C)C)c(C(=O)[O-])cc1OC ZINC000737898484 600675026 /nfs/dbraw/zinc/67/50/26/600675026.db2.gz BETNTFIQJGKMKS-UHFFFAOYSA-N -1 0 390.392 3.710 20 5 GHBDRM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000832341532 600742083 /nfs/dbraw/zinc/74/20/83/600742083.db2.gz MUEFDSXDOWOBDI-OAHLLOKOSA-N -1 0 385.203 3.826 20 5 GHBDRM O=C([O-])c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)s1 ZINC000833319416 600901311 /nfs/dbraw/zinc/90/13/11/600901311.db2.gz LLFGOHOXLUZXBA-UHFFFAOYSA-N -1 0 375.406 3.597 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC000431516658 601061804 /nfs/dbraw/zinc/06/18/04/601061804.db2.gz GDEMDXVZWBXXSU-GOSISDBHSA-N -1 0 392.411 3.730 20 5 GHBDRM 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COc1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)[O-] ZINC000829464907 603799514 /nfs/dbraw/zinc/79/95/14/603799514.db2.gz CSINIWHFVHIVDU-UHFFFAOYSA-N -1 0 388.380 3.750 20 5 GHBDRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cc1[N+](=O)[O-] ZINC000830257987 603804586 /nfs/dbraw/zinc/80/45/86/603804586.db2.gz YOYOBZGFCRBIQY-GFCCVEGCSA-N -1 0 384.392 3.826 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000830428060 604035108 /nfs/dbraw/zinc/03/51/08/604035108.db2.gz QVKHQYXKURYRDZ-ZDUSSCGKSA-N -1 0 387.392 3.639 20 5 GHBDRM O=C([O-])NCc1ccc2c(c1)CCCN2C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000832715320 604090300 /nfs/dbraw/zinc/09/03/00/604090300.db2.gz TXFJNXQARYRTCE-UHFFFAOYSA-N -1 0 389.795 3.609 20 5 GHBDRM COc1cccc([C@@H]2CN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])CCO2)c1 ZINC000832539342 604282802 /nfs/dbraw/zinc/28/28/02/604282802.db2.gz BVUYLBHELUVZJQ-KRWDZBQOSA-N -1 0 392.795 3.533 20 5 GHBDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000829028783 604428633 /nfs/dbraw/zinc/42/86/33/604428633.db2.gz YZCAZHMFJXZBPT-QGZVFWFLSA-N -1 0 388.445 3.751 20 5 GHBDRM CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000829772534 604453565 /nfs/dbraw/zinc/45/35/65/604453565.db2.gz YXCOIPHVPRAULI-NSHDSACASA-N -1 0 389.433 3.575 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830427543 604554977 /nfs/dbraw/zinc/55/49/77/604554977.db2.gz KDBZMEJHOQGSIM-CYBMUJFWSA-N -1 0 386.408 3.862 20 5 GHBDRM Cc1nc2ccccc2n1C[C@@H]1CCCN1c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000833746029 604560704 /nfs/dbraw/zinc/56/07/04/604560704.db2.gz KXZATVBOJMUOTE-HNNXBMFYSA-N -1 0 394.431 3.929 20 5 GHBDRM C[C@@H](NC(=O)c1ccc(N[C@H]2CC(C)(C)c3ccccc32)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827704287 604637865 /nfs/dbraw/zinc/63/78/65/604637865.db2.gz WZUNBTHCBQRKOY-PXAZEXFGSA-N -1 0 397.431 3.632 20 5 GHBDRM 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Cc1sc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c(C(=O)[O-])c1C ZINC000833758055 605061537 /nfs/dbraw/zinc/06/15/37/605061537.db2.gz KEQHAJXICJFQGJ-UHFFFAOYSA-N -1 0 386.332 3.825 20 5 GHBDRM CC(C)(C(=O)[O-])[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000833415902 605178622 /nfs/dbraw/zinc/17/86/22/605178622.db2.gz VKUSWRGSWUDWHQ-KRWDZBQOSA-N -1 0 396.403 3.587 20 5 GHBDRM O=C([O-])c1ccc(F)c(COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000833781074 605809912 /nfs/dbraw/zinc/80/99/12/605809912.db2.gz PKOMAOFXVMXDKO-UHFFFAOYSA-N -1 0 398.140 3.552 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2C)c(C)cc1[N+](=O)[O-] ZINC000414382501 837531729 /nfs/dbraw/zinc/53/17/29/837531729.db2.gz LLDWNIGYEIXVFE-UHFFFAOYSA-N -1 0 389.355 3.735 20 5 GHBDRM Cc1ccsc1-c1nc(=NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)s[n-]1 ZINC000472290366 834504874 /nfs/dbraw/zinc/50/48/74/834504874.db2.gz GLKBILKKFYPSPG-UHFFFAOYSA-N -1 0 388.474 3.821 20 5 GHBDRM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)cc1 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SQKJVWWPUXCHCU-UHFFFAOYSA-N -1 0 396.469 3.524 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000536206330 835536226 /nfs/dbraw/zinc/53/62/26/835536226.db2.gz XGRMXHKXGDGDLE-CHWSQXEVSA-N -1 0 377.194 3.805 20 5 GHBDRM O=C([O-])c1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 ZINC000431653662 836167273 /nfs/dbraw/zinc/16/72/73/836167273.db2.gz CGQPRYZBKKJGNC-UHFFFAOYSA-N -1 0 394.333 3.910 20 5 GHBDRM O=C([O-])CSCc1cccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000431661638 836437925 /nfs/dbraw/zinc/43/79/25/836437925.db2.gz NVEOBVVKUUXXDL-UHFFFAOYSA-N -1 0 397.412 3.713 20 5 GHBDRM Cc1cscc1[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000161595523 836891041 /nfs/dbraw/zinc/89/10/41/836891041.db2.gz SLUJZDZSHYZFTE-UHFFFAOYSA-N -1 0 391.268 3.836 20 5 GHBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000431212122 844232327 /nfs/dbraw/zinc/23/23/27/844232327.db2.gz SVNGOPHSWIWLQB-JKOKRWQUSA-N -1 0 398.868 3.585 20 5 GHBDRM CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000101675652 837986696 /nfs/dbraw/zinc/98/66/96/837986696.db2.gz GZHLPHAOLFWSDZ-UHFFFAOYSA-N -1 0 381.388 3.660 20 5 GHBDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C1CC1 ZINC000535687852 844309987 /nfs/dbraw/zinc/30/99/87/844309987.db2.gz IWGKCMONVACYKH-GFCCVEGCSA-N -1 0 378.454 3.749 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)cc1[N+](=O)[O-] ZINC000121085562 838339757 /nfs/dbraw/zinc/33/97/57/838339757.db2.gz XPNBOWGUYXKEAI-UHFFFAOYSA-N -1 0 392.824 3.748 20 5 GHBDRM COc1ccc2[nH]cc(C3CCN(C(=O)c4cc([N+](=O)[O-])ccc4[O-])CC3)c2c1 ZINC000179451401 838543582 /nfs/dbraw/zinc/54/35/82/838543582.db2.gz LICQLVRJBXFPBB-UHFFFAOYSA-N -1 0 395.415 3.810 20 5 GHBDRM COc1cccc(N=c2[n-]nc(Sc3ccc([N+](=O)[O-])cc3F)s2)c1 ZINC000513082396 844344533 /nfs/dbraw/zinc/34/45/33/844344533.db2.gz LZEOSJAUQYBOKA-UHFFFAOYSA-N -1 0 378.410 3.911 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000121203073 839451764 /nfs/dbraw/zinc/45/17/64/839451764.db2.gz WSWFARZXPKOKLG-MRXNPFEDSA-N -1 0 396.321 3.533 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000119168769 839728768 /nfs/dbraw/zinc/72/87/68/839728768.db2.gz IHYHVMZMCWAQJR-UHFFFAOYSA-N -1 0 376.312 3.603 20 5 GHBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000175971205 840418636 /nfs/dbraw/zinc/41/86/36/840418636.db2.gz BTVAARZURWCZKF-UHFFFAOYSA-N -1 0 377.353 3.553 20 5 GHBDRM O=C(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000573588563 844617683 /nfs/dbraw/zinc/61/76/83/844617683.db2.gz LTYUPMAWVLAPIV-AWEZNQCLSA-N -1 0 396.428 3.872 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(COCc2ccco2)c1 ZINC000055633126 861274190 /nfs/dbraw/zinc/27/41/90/861274190.db2.gz LDILIXJNUDZJPB-UHFFFAOYSA-N -1 0 388.401 3.705 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3ccc(F)cc3)s2)cc1[N+](=O)[O-] ZINC000432351536 842132760 /nfs/dbraw/zinc/13/27/60/842132760.db2.gz NZUIZJJTPDUCRU-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Cl ZINC000131236666 861275625 /nfs/dbraw/zinc/27/56/25/861275625.db2.gz ICYSDHCUKULXQO-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000236753742 842218862 /nfs/dbraw/zinc/21/88/62/842218862.db2.gz ZHJLICYGNJHZPT-UHFFFAOYSA-N -1 0 399.447 3.780 20 5 GHBDRM Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2)n1 ZINC000175948081 842447435 /nfs/dbraw/zinc/44/74/35/842447435.db2.gz YDBBGPKAXJTFEM-CQSZACIVSA-N -1 0 380.404 3.594 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1C(F)(F)F ZINC000150820454 843318713 /nfs/dbraw/zinc/31/87/13/843318713.db2.gz BDQDLPKJBAZMKF-UHFFFAOYSA-N -1 0 394.302 3.562 20 5 GHBDRM COc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)c(Cl)c1OC ZINC000445208580 843409416 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3.578 20 5 GHBDRM O=[P@@]([O-])(O)C1(Nc2cc3cccnc3c3ncccc23)Cc2ccccc2C1 ZINC001167937260 844799206 /nfs/dbraw/zinc/79/92/06/844799206.db2.gz BDNKXONNYHFEEB-UHFFFAOYSA-N -1 0 391.367 3.868 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3c(cnn3C(F)F)c2)cc1C ZINC000610955208 844908125 /nfs/dbraw/zinc/90/81/25/844908125.db2.gz WGABXATWORQRDX-UHFFFAOYSA-N -1 0 396.375 3.757 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OC(F)F ZINC000513398188 845355863 /nfs/dbraw/zinc/35/58/63/845355863.db2.gz ZGLUWVKVSJHKFA-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000262822725 845609254 /nfs/dbraw/zinc/60/92/54/845609254.db2.gz AYUMVKBEFPTBTM-ZDUSSCGKSA-N -1 0 383.404 3.635 20 5 GHBDRM C[C@H](NC(=O)NCc1ccc(O)c(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000178571754 847009356 /nfs/dbraw/zinc/00/93/56/847009356.db2.gz LSPXGHGZHJFFFY-JTQLQIEISA-N -1 0 394.225 3.623 20 5 GHBDRM C[C@]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)(c1ccc(F)cc1)C(F)(F)F ZINC000479158897 847530671 /nfs/dbraw/zinc/53/06/71/847530671.db2.gz NCYMQOHCEWXNRS-LBPRGKRZSA-N -1 0 398.359 3.551 20 5 GHBDRM Cc1ccc(Nc2ncccc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000502492584 847955626 /nfs/dbraw/zinc/95/56/26/847955626.db2.gz PUGCDBKSTGHCBV-UHFFFAOYSA-N -1 0 390.446 3.904 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)c(Cl)c1 ZINC000731780722 861885823 /nfs/dbraw/zinc/88/58/23/861885823.db2.gz DNAVDAHZGRINGI-UHFFFAOYSA-N -1 0 381.841 3.649 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C)c2)cc1C ZINC000731782066 861888091 /nfs/dbraw/zinc/88/80/91/861888091.db2.gz HZTYCQYAUIYZHN-UHFFFAOYSA-N -1 0 389.477 3.921 20 5 GHBDRM COc1c(F)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1F ZINC000176640946 849561087 /nfs/dbraw/zinc/56/10/87/849561087.db2.gz CQGBJDAKUABZHF-UHFFFAOYSA-N -1 0 392.767 3.644 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2C)c1C ZINC000503982499 849817658 /nfs/dbraw/zinc/81/76/58/849817658.db2.gz MJUKNRWBCXGGAM-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM CCCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000504227509 849979992 /nfs/dbraw/zinc/97/99/92/849979992.db2.gz HPCRIXVCOSCKCD-CQSZACIVSA-N -1 0 385.420 3.570 20 5 GHBDRM Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000435144522 850144300 /nfs/dbraw/zinc/14/43/00/850144300.db2.gz HCTCXKUIBINSTJ-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM Cc1ccc(-c2nc(CN=c3[n-]c(-c4ccc([N+](=O)[O-])cc4)no3)co2)cc1 ZINC000486932556 850260073 /nfs/dbraw/zinc/26/00/73/850260073.db2.gz DAHMCXUJOZEQEL-UHFFFAOYSA-N -1 0 377.360 3.642 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1 ZINC000519201934 850752081 /nfs/dbraw/zinc/75/20/81/850752081.db2.gz LDLWPYUCAUIQFW-UHFFFAOYSA-N -1 0 387.417 3.977 20 5 GHBDRM CC(C)Oc1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000506808420 850999124 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YVRQDGCORZZSRB-LJQANCHMSA-N -1 0 382.416 3.706 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1N1CCCCC1 ZINC000570214114 851702286 /nfs/dbraw/zinc/70/22/86/851702286.db2.gz ZPVLWEWOQOJSKX-UHFFFAOYSA-N -1 0 397.403 3.664 20 5 GHBDRM O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1cccc([O-])c1[N+](=O)[O-] ZINC000488820837 851799465 /nfs/dbraw/zinc/79/94/65/851799465.db2.gz IROQUESBGHKHCL-UHFFFAOYSA-N -1 0 376.237 3.527 20 5 GHBDRM Cc1nn(-c2ccccc2)c2nc(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)ccc12 ZINC000436616779 852116484 /nfs/dbraw/zinc/11/64/84/852116484.db2.gz GDVYLIJKISHVSC-UHFFFAOYSA-N -1 0 389.371 3.595 20 5 GHBDRM CSc1ccc(-c2nsc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)n2)cc1 ZINC000436621175 852135689 /nfs/dbraw/zinc/13/56/89/852135689.db2.gz XHXKWYMSYYSXBE-UHFFFAOYSA-N -1 0 388.430 3.793 20 5 GHBDRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000436645796 852154697 /nfs/dbraw/zinc/15/46/97/852154697.db2.gz MVZLMFNDFGOLCE-SNVBAGLBSA-N -1 0 392.795 3.953 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000436789206 852342212 /nfs/dbraw/zinc/34/22/12/852342212.db2.gz JNWZTALDHIMGTG-HNNXBMFYSA-N -1 0 386.795 3.807 20 5 GHBDRM O=c1nc(C=Cc2ccc([O-])c([N+](=O)[O-])c2)[nH]c2sc(Br)cc21 ZINC000436813347 852375586 /nfs/dbraw/zinc/37/55/86/852375586.db2.gz DNWZJJJDOCSNDJ-RQOWECAXSA-N -1 0 394.206 3.944 20 5 GHBDRM COCCC[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000436819827 852388989 /nfs/dbraw/zinc/38/89/89/852388989.db2.gz OOMIEMYJTRFIHR-OAHLLOKOSA-N -1 0 392.839 3.894 20 5 GHBDRM COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436819668 852389277 /nfs/dbraw/zinc/38/92/77/852389277.db2.gz ISQNOCAPAOFZHY-SNVBAGLBSA-N -1 0 380.784 3.620 20 5 GHBDRM COc1ccccc1[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000426816534 852428192 /nfs/dbraw/zinc/42/81/92/852428192.db2.gz LGALIGONDCBBRT-IBGZPJMESA-N -1 0 382.372 3.779 20 5 GHBDRM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436949047 852531558 /nfs/dbraw/zinc/53/15/58/852531558.db2.gz LGPISCLMIZXZNP-ZDUSSCGKSA-N -1 0 383.404 3.567 20 5 GHBDRM COCCSc1ccc([C@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436967420 852538007 /nfs/dbraw/zinc/53/80/07/852538007.db2.gz YOSGEJDQYDQZET-LBPRGKRZSA-N -1 0 376.434 3.530 20 5 GHBDRM O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436973092 852555858 /nfs/dbraw/zinc/55/58/58/852555858.db2.gz RDSQQSKWOAPLFC-SFHVURJKSA-N -1 0 383.791 3.868 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000437180390 852837702 /nfs/dbraw/zinc/83/77/02/852837702.db2.gz KNHLIVARKJCJTJ-UHFFFAOYSA-N -1 0 396.494 3.678 20 5 GHBDRM CC(=O)c1ccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000438786898 852852731 /nfs/dbraw/zinc/85/27/31/852852731.db2.gz QZTHGDJXSYDDHT-UHFFFAOYSA-N -1 0 389.216 3.905 20 5 GHBDRM O=C(N[C@H](COCc1ccccc1)c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506487039 853298999 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379.394 3.658 20 5 GHBDRM Cn1c2ccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc2nc1C(C)(C)C ZINC000768865120 873667789 /nfs/dbraw/zinc/66/77/89/873667789.db2.gz ZIMHOZCJGLOMMF-UHFFFAOYSA-N -1 0 394.478 3.641 20 5 GHBDRM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(Br)c1 ZINC000541587409 873930285 /nfs/dbraw/zinc/93/02/85/873930285.db2.gz IMHCDOZAHOYQCC-JTQLQIEISA-N -1 0 395.209 3.777 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000804412868 882807614 /nfs/dbraw/zinc/80/76/14/882807614.db2.gz GCULHZFAFOLOTI-FQEVSTJZSA-N -1 0 392.411 3.676 20 5 GHBDRM CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770764984 874853025 /nfs/dbraw/zinc/85/30/25/874853025.db2.gz FDODPIXQGZSNMD-CYBMUJFWSA-N -1 0 386.445 3.535 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000770859394 874892903 /nfs/dbraw/zinc/89/29/03/874892903.db2.gz ZNGDSABLXQTBKK-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM COC(=O)Nc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc(C(F)(F)F)c1 ZINC000770862104 874894897 /nfs/dbraw/zinc/89/48/97/874894897.db2.gz JYHAGGQRIMQXQH-UHFFFAOYSA-N -1 0 399.281 3.750 20 5 GHBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000776199256 875796873 /nfs/dbraw/zinc/79/68/73/875796873.db2.gz CIFAOPCCANNCGT-UHFFFAOYSA-N -1 0 377.378 3.961 20 5 GHBDRM Cc1nc(COc2ccccc2C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cs1 ZINC000776200704 875810371 /nfs/dbraw/zinc/81/03/71/875810371.db2.gz YNMSSLMYLCTZQQ-UHFFFAOYSA-N -1 0 385.401 3.897 20 5 GHBDRM CC(C)(C)OC(=O)Nc1ccccc1CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000776203750 875817977 /nfs/dbraw/zinc/81/79/77/875817977.db2.gz HCSPYCUQFYIFPF-UHFFFAOYSA-N -1 0 387.392 3.829 20 5 GHBDRM CC(C)(C)OC(=O)N(CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000776203693 875818824 /nfs/dbraw/zinc/81/88/24/875818824.db2.gz FMAZNMJYYCGFSN-UHFFFAOYSA-N -1 0 387.392 3.681 20 5 GHBDRM CCc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cnn1CCC(C)C 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DWJNVNSKGIAHBC-LBPRGKRZSA-N -1 0 382.825 3.553 20 5 GHBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCC2)[C@@](F)(C(=O)[O-])C1 ZINC000851613907 877830640 /nfs/dbraw/zinc/83/06/40/877830640.db2.gz RUQAEYFSZRPGLT-SFHVURJKSA-N -1 0 396.440 3.514 20 5 GHBDRM Cc1cc(F)cc(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)c1[N+](=O)[O-] ZINC000851617260 877832407 /nfs/dbraw/zinc/83/24/07/877832407.db2.gz UNYJPGHEJSHRJP-CQSZACIVSA-N -1 0 386.379 3.590 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2nccc3sccc32)cc1[N+](=O)[O-] ZINC000461124386 879213962 /nfs/dbraw/zinc/21/39/62/879213962.db2.gz BQXDPNRTQGXRRX-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)c1C ZINC000790417469 879698448 /nfs/dbraw/zinc/69/84/48/879698448.db2.gz KJOHMBFTHNHJBN-SNVBAGLBSA-N -1 0 386.861 3.833 20 5 GHBDRM O=C([O-])CC1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCCC1 ZINC000538577681 879754384 /nfs/dbraw/zinc/75/43/84/879754384.db2.gz XAMUDNZWGIZBDN-UHFFFAOYSA-N -1 0 388.342 3.769 20 5 GHBDRM CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000776770127 880202785 /nfs/dbraw/zinc/20/27/85/880202785.db2.gz ZLEMUBXTJMGJPM-CQSZACIVSA-N -1 0 392.412 3.962 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000531768136 880448514 /nfs/dbraw/zinc/44/85/14/880448514.db2.gz CYIABJSKTGXYNJ-GFCCVEGCSA-N -1 0 383.429 3.930 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cn1 ZINC000609473343 883237493 /nfs/dbraw/zinc/23/74/93/883237493.db2.gz CSMXQFBPGCWOHT-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)ccc1[N+](=O)[O-] ZINC000609657637 883495623 /nfs/dbraw/zinc/49/56/23/883495623.db2.gz HOZQWKNDKAOJFA-UHFFFAOYSA-N -1 0 376.434 3.631 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000609657727 883497062 /nfs/dbraw/zinc/49/70/62/883497062.db2.gz MYHXKUVVYYMMIK-UHFFFAOYSA-N -1 0 396.424 3.935 20 5 GHBDRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000805254841 883720995 /nfs/dbraw/zinc/72/09/95/883720995.db2.gz HILUZMXSNXDCDW-UHFFFAOYSA-N -1 0 376.674 3.947 20 5 GHBDRM O=[N+]([O-])c1cnc(Sc2n[n-]c(=Nc3ccccc3F)s2)c(Cl)c1 ZINC000609893494 883802557 /nfs/dbraw/zinc/80/25/57/883802557.db2.gz TYSSWAMKBJSSBD-UHFFFAOYSA-N -1 0 383.817 3.951 20 5 GHBDRM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000475800244 883979930 /nfs/dbraw/zinc/97/99/30/883979930.db2.gz VKTWOEFYDFRVRV-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=C(Nc1ccccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccs1 ZINC000476121813 884001137 /nfs/dbraw/zinc/00/11/37/884001137.db2.gz OQYGKNBWTHVJLP-UHFFFAOYSA-N -1 0 383.385 3.867 20 5 GHBDRM O=C([O-])c1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1F ZINC000914728869 884634288 /nfs/dbraw/zinc/63/42/88/884634288.db2.gz DLROCQNKOZPZRC-UHFFFAOYSA-N -1 0 390.370 3.631 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)nc1 ZINC000761891778 884933898 /nfs/dbraw/zinc/93/38/98/884933898.db2.gz NAZHOZBAPDRRNY-UHFFFAOYSA-N -1 0 385.829 3.540 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000807222185 885310999 /nfs/dbraw/zinc/31/09/99/885310999.db2.gz KLPPEPVEZPRZPR-UHFFFAOYSA-N -1 0 394.265 3.622 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2nnc(CC3CCCCC3)o2)c1[N+](=O)[O-] ZINC000194895295 885571173 /nfs/dbraw/zinc/57/11/73/885571173.db2.gz HPBOEUKLVFOKIN-UHFFFAOYSA-N -1 0 394.453 3.518 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C2CC2)cc([N+](=O)[O-])c1F ZINC000808119280 886029936 /nfs/dbraw/zinc/02/99/36/886029936.db2.gz JBBPDQGQQGJPJR-UHFFFAOYSA-N -1 0 396.444 3.573 20 5 GHBDRM Cc1nc([C@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc1C(=O)[O-] ZINC000498962092 886215803 /nfs/dbraw/zinc/21/58/03/886215803.db2.gz XTLLUJWWJIMATD-QMMMGPOBSA-N -1 0 391.430 3.764 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)ccc1Cl ZINC000193488938 886367964 /nfs/dbraw/zinc/36/79/64/886367964.db2.gz JPEDQYOHSDHXQR-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM Cc1cccc(-c2cnc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])s2)c1 ZINC000808570052 886519357 /nfs/dbraw/zinc/51/93/57/886519357.db2.gz VSFKTIFHKVYLSJ-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM Cc1c(Cl)cccc1N=c1[n-]nc(SCc2c([N+](=O)[O-])ncn2C)s1 ZINC000476500057 886529332 /nfs/dbraw/zinc/52/93/32/886529332.db2.gz MVEUOLQQDYSASS-UHFFFAOYSA-N -1 0 396.885 3.599 20 5 GHBDRM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1OC ZINC000762984085 887487293 /nfs/dbraw/zinc/48/72/93/887487293.db2.gz GOIYPLJMOKBBJI-UHFFFAOYSA-N -1 0 389.389 3.684 20 5 GHBDRM CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000032630251 887708367 /nfs/dbraw/zinc/70/83/67/887708367.db2.gz SZSSZZFKKDZWGZ-UHFFFAOYSA-N -1 0 394.449 3.892 20 5 GHBDRM CC1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC(F)(F)CC1 ZINC000809832491 887852488 /nfs/dbraw/zinc/85/24/88/887852488.db2.gz QBLLJGJYSSZAND-UHFFFAOYSA-N -1 0 386.779 3.634 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cnn1C1CCCC1 ZINC000194229525 888128165 /nfs/dbraw/zinc/12/81/65/888128165.db2.gz YSBWFAGPIKMQPY-UHFFFAOYSA-N -1 0 378.454 3.632 20 5 GHBDRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000811715324 889892375 /nfs/dbraw/zinc/89/23/75/889892375.db2.gz VRGWLQPZFSLCTK-UHFFFAOYSA-N -1 0 392.767 3.644 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000811723268 889922717 /nfs/dbraw/zinc/92/27/17/889922717.db2.gz HPVKHWMDMZVWJM-UHFFFAOYSA-N -1 0 399.812 3.828 20 5 GHBDRM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C2CC2)o1 ZINC000237464005 892048390 /nfs/dbraw/zinc/04/83/90/892048390.db2.gz WXNYWEFSHFOLHC-PIGZYNQJSA-N -1 0 384.388 3.814 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c1 ZINC000814212766 892398551 /nfs/dbraw/zinc/39/85/51/892398551.db2.gz XFTJUFNLVCEQRT-UHFFFAOYSA-N -1 0 384.694 3.605 20 5 GHBDRM CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000917738371 892451030 /nfs/dbraw/zinc/45/10/30/892451030.db2.gz GPATXURBMIFWNM-UHFFFAOYSA-N -1 0 398.412 3.722 20 5 GHBDRM CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000917723941 892464506 /nfs/dbraw/zinc/46/45/06/892464506.db2.gz TVVQESSUKQHFIN-UHFFFAOYSA-N -1 0 398.824 3.616 20 5 GHBDRM CSc1ccc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000262707012 893081634 /nfs/dbraw/zinc/08/16/34/893081634.db2.gz ARRCRJUOCBDVET-HNNXBMFYSA-N -1 0 388.445 3.523 20 5 GHBDRM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000815009952 893333226 /nfs/dbraw/zinc/33/32/26/893333226.db2.gz NMUPVZYFFDNSCT-JTQLQIEISA-N -1 0 393.849 3.582 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1C[C@@H]2CCCCN2c2ccccc21 ZINC000563196893 893471475 /nfs/dbraw/zinc/47/14/75/893471475.db2.gz XNZKUZPPOXBMBR-ZDUSSCGKSA-N -1 0 387.823 3.973 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000918398888 893596443 /nfs/dbraw/zinc/59/64/43/893596443.db2.gz BPLYOFVQAUZQIO-UHFFFAOYSA-N -1 0 394.302 3.562 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccccc1OC1CCCC1 ZINC000918399359 893596447 /nfs/dbraw/zinc/59/64/47/893596447.db2.gz GLXFMEOZBWYJPY-UHFFFAOYSA-N -1 0 380.397 3.856 20 5 GHBDRM O=C(NCc1cccc(COc2ccccc2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC001136347535 897370545 /nfs/dbraw/zinc/37/05/45/897370545.db2.gz BCNKYBHNWJKTSL-UHFFFAOYSA-N -1 0 378.384 3.809 20 5 GHBDRM Cc1cc(F)cc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)c1[N+](=O)[O-] ZINC000131848815 897590557 /nfs/dbraw/zinc/59/05/57/897590557.db2.gz PRCTXFHKMCBXJD-UHFFFAOYSA-N -1 0 390.371 3.876 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000569404991 898624548 /nfs/dbraw/zinc/62/45/48/898624548.db2.gz MZJRNLPQBBSMSX-SNVBAGLBSA-N -1 0 393.170 3.521 20 5 GHBDRM COc1cccc(NC2CCN(c3cc(C)c([N+](=O)[O-])cc3C(=O)[O-])CC2)c1 ZINC000569609093 898824967 /nfs/dbraw/zinc/82/49/67/898824967.db2.gz SWMIFOAESRTIKV-UHFFFAOYSA-N -1 0 385.420 3.691 20 5 GHBDRM CCOc1ccc([C@H](C)Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1OCC ZINC000570724500 899535578 /nfs/dbraw/zinc/53/55/78/899535578.db2.gz CCSIIKKFWVVVHU-NSHDSACASA-N -1 0 375.381 3.659 20 5 GHBDRM CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000570728911 899538019 /nfs/dbraw/zinc/53/80/19/899538019.db2.gz APFYPTKKWHGOAG-UHFFFAOYSA-N -1 0 384.219 3.678 20 5 GHBDRM CC(C)(C)CCCCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000805865533 899615154 /nfs/dbraw/zinc/61/51/54/899615154.db2.gz IEMWFWJBWNZVSA-UHFFFAOYSA-N -1 0 376.862 3.660 20 5 GHBDRM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2C)o1 ZINC000135409601 900237174 /nfs/dbraw/zinc/23/71/74/900237174.db2.gz UGQWJYLSYYVIRH-UHFFFAOYSA-N -1 0 396.812 3.649 20 5 GHBDRM Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000158007171 900952623 /nfs/dbraw/zinc/95/26/23/900952623.db2.gz WACWZYAHSIDAJU-UHFFFAOYSA-N -1 0 395.746 3.650 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2CCC(c3cccc(F)c3F)CC2)cc([N+](=O)[O-])c1 ZINC000577112777 902510711 /nfs/dbraw/zinc/51/07/11/902510711.db2.gz DJGFMWUSWCEWSL-UHFFFAOYSA-N -1 0 390.342 3.591 20 5 GHBDRM O=C([O-])c1cnc(C2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)s1 ZINC000600678353 902814920 /nfs/dbraw/zinc/81/49/20/902814920.db2.gz NQCLYHJPZFXABF-UHFFFAOYSA-N -1 0 384.417 3.682 20 5 GHBDRM CC[C@](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)(C(=O)[O-])c1ccccc1 ZINC000600869562 903026737 /nfs/dbraw/zinc/02/67/37/903026737.db2.gz NRQVHIHVOPRDDQ-OAQYLSRUSA-N -1 0 396.443 3.565 20 5 GHBDRM C[C@@H](Cc1ccccc1Cl)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600879324 903040855 /nfs/dbraw/zinc/04/08/55/903040855.db2.gz WKYVVUANAZUZHF-HXPMCKFVSA-N -1 0 390.823 3.543 20 5 GHBDRM Cc1cc(N(C)Cc2nc(C(F)(F)F)cs2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000579113824 904356670 /nfs/dbraw/zinc/35/66/70/904356670.db2.gz WCEJPMOIELFCPJ-UHFFFAOYSA-N -1 0 375.328 3.713 20 5 GHBDRM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000190373329 905997236 /nfs/dbraw/zinc/99/72/36/905997236.db2.gz UHEMWVNUWUWYOB-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C)c1C ZINC000190378493 906008879 /nfs/dbraw/zinc/00/88/79/906008879.db2.gz XCODZTFEMRGREA-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]nc1-c1ccccc1 ZINC000773383540 906525092 /nfs/dbraw/zinc/52/50/92/906525092.db2.gz PKIHYRXJRUAGCA-UHFFFAOYSA-N -1 0 392.824 3.748 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)sc1Cl ZINC000191557584 907074965 /nfs/dbraw/zinc/07/49/65/907074965.db2.gz ZNQWOFSSHPYKET-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM O=C([O-])c1ccc(Nc2ccc(OCC3CCOCC3)c(F)c2)cc1[N+](=O)[O-] ZINC001174505657 907081284 /nfs/dbraw/zinc/08/12/84/907081284.db2.gz GUECROYXLPUSGL-UHFFFAOYSA-N -1 0 390.367 3.981 20 5 GHBDRM Cc1cnn(-c2ccccc2)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191903686 907309312 /nfs/dbraw/zinc/30/93/12/907309312.db2.gz MDHWMGSBAXVZQS-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000184798517 907659757 /nfs/dbraw/zinc/65/97/57/907659757.db2.gz LNUYURIVAAANRG-GOSISDBHSA-N -1 0 390.823 3.540 20 5 GHBDRM COc1ccc(Cn2ncc(C)c2Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001176678057 908205480 /nfs/dbraw/zinc/20/54/80/908205480.db2.gz JUJPLGKHJPDRRY-UHFFFAOYSA-N -1 0 382.376 3.598 20 5 GHBDRM O=C([O-])c1cc(Nc2cccc(C(=O)Nc3cccnc3)c2)cc([N+](=O)[O-])c1 ZINC001176679135 908207171 /nfs/dbraw/zinc/20/71/71/908207171.db2.gz FTDOBDHPQBIIJV-UHFFFAOYSA-N -1 0 378.344 3.684 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nnc(-c3ccc4ccccc4c3)o2)cc1 ZINC000194798348 908926620 /nfs/dbraw/zinc/92/66/20/908926620.db2.gz BJHQZBHZSYQUDV-UHFFFAOYSA-N -1 0 396.384 3.599 20 5 GHBDRM O=[N+]([O-])c1[n-]cnc1-c1nc(-c2ccc(OC(F)(F)F)c(Cl)c2)no1 ZINC001212893124 911370756 /nfs/dbraw/zinc/37/07/56/911370756.db2.gz NHXKJVCSCNPOMV-UHFFFAOYSA-N -1 0 375.650 3.587 20 5 GHBDRM CC[C@@H]1CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC001187777665 915488877 /nfs/dbraw/zinc/48/88/77/915488877.db2.gz BIGLYYKGAVMRPO-RHSMWYFYSA-N -1 0 390.461 3.505 20 5 GHBDRM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])c2)oc1C ZINC000098052297 916120968 /nfs/dbraw/zinc/12/09/68/916120968.db2.gz PKIDRSVHNPQZPO-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)c1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC000775298625 916868234 /nfs/dbraw/zinc/86/82/34/916868234.db2.gz SQSLKXPYNQEDCI-UHFFFAOYSA-N -1 0 399.403 3.850 20 5 GHBDRM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(F)(F)F ZINC001189733971 916891512 /nfs/dbraw/zinc/89/15/12/916891512.db2.gz RUCVOICZBUKHNR-KSBSHMNSSA-N -1 0 392.758 3.643 20 5 GHBDRM Cc1cc(=O)c(COC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)n[n-]1 ZINC000802171281 921877991 /nfs/dbraw/zinc/87/79/91/921877991.db2.gz UMGYOUHYPBEBSU-UHFFFAOYSA-N -1 0 389.433 3.791 20 5 GHBDRM Cc1cc(=O)c(COC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n[n-]1 ZINC000802174484 921879682 /nfs/dbraw/zinc/87/96/82/921879682.db2.gz BCMNPAMHBVFUQI-UHFFFAOYSA-N -1 0 381.344 3.548 20 5 GHBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1nc2ccccc2n1C(F)F ZINC000010320497 924049309 /nfs/dbraw/zinc/04/93/09/924049309.db2.gz RJQMRNUWEIZHAA-SECBINFHSA-N -1 0 376.319 3.536 20 5 GHBDRM CN(c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000410323704 925535744 /nfs/dbraw/zinc/53/57/44/925535744.db2.gz FILMIALKUOQENN-UHFFFAOYSA-N -1 0 375.450 3.774 20 5 GHBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000410402628 925613144 /nfs/dbraw/zinc/61/31/44/925613144.db2.gz JFQUFFMDHVECJR-UHFFFAOYSA-N -1 0 380.422 3.582 20 5 GHBDRM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000751977041 928524865 /nfs/dbraw/zinc/52/48/65/928524865.db2.gz IZDWMXGSUSUARA-MRVPVSSYSA-N -1 0 376.768 3.566 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c(C(F)(F)F)c1 ZINC000466975402 928556075 /nfs/dbraw/zinc/55/60/75/928556075.db2.gz XYFGCSAPKKWXOZ-UHFFFAOYSA-N -1 0 396.368 3.793 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nnc(C3CCCCC3)s2)cc1C ZINC000752198184 928678165 /nfs/dbraw/zinc/67/81/65/928678165.db2.gz QLWVPWXZVOMUCW-UHFFFAOYSA-N -1 0 396.494 3.912 20 5 GHBDRM CC1(C)CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000752488194 928846312 /nfs/dbraw/zinc/84/63/12/928846312.db2.gz QBRGZFIGLMBAPI-LLVKDONJSA-N -1 0 388.873 3.660 20 5 GHBDRM O=C(NCc1ccc(Br)cc1Cl)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469622396 930037482 /nfs/dbraw/zinc/03/74/82/930037482.db2.gz QQCBSZNPYKZBQR-UHFFFAOYSA-N -1 0 385.601 3.646 20 5 GHBDRM COc1cc(Br)ccc1[C@H](C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000470821556 930941196 /nfs/dbraw/zinc/94/11/96/930941196.db2.gz PXTIMWQAJGSEKM-VIFPVBQESA-N -1 0 395.209 3.563 20 5 GHBDRM CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000781841408 930997164 /nfs/dbraw/zinc/99/71/64/930997164.db2.gz QISWOLNTOXIOFX-ZDUSSCGKSA-N -1 0 386.445 3.535 20 5 GHBDRM COc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000797738687 932388539 /nfs/dbraw/zinc/38/85/39/932388539.db2.gz HSLLIKZDSHIOGW-SFHVURJKSA-N -1 0 395.371 3.704 20 5 GHBDRM Cc1c(F)cccc1NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798297008 932597610 /nfs/dbraw/zinc/59/76/10/932597610.db2.gz QYDWZOJSRGBTAT-UHFFFAOYSA-N -1 0 390.758 3.839 20 5 GHBDRM O=C(c1cc(Br)cc(Cl)c1[O-])N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116169214 933377856 /nfs/dbraw/zinc/37/78/56/933377856.db2.gz CMUYHJDLNUHPDL-UHFFFAOYSA-N -1 0 397.612 3.872 20 5 GHBDRM COc1ccc(/C=C/C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1OC ZINC000777823281 933630675 /nfs/dbraw/zinc/63/06/75/933630675.db2.gz HUJVCSCZAXVTEH-GQCTYLIASA-N -1 0 378.768 3.623 20 5 GHBDRM O=C([O-])CC[C@@H]1Cc2ccccc2N(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001595024886 951336405 /nfs/dbraw/zinc/33/64/05/951336405.db2.gz QCJPAXCJFYUZNP-CYBMUJFWSA-N -1 0 385.376 3.547 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)ccn1 ZINC001595210392 952361770 /nfs/dbraw/zinc/36/17/70/952361770.db2.gz UCVJNPDBUCZYFM-UHFFFAOYSA-N -1 0 379.328 3.733 20 5 GHBDRM O=C([O-])c1c(NC(=O)CCNc2ccccc2[N+](=O)[O-])sc2c1CCCC2 ZINC001594688399 956729271 /nfs/dbraw/zinc/72/92/71/956729271.db2.gz FONZCHQCNQTXDY-UHFFFAOYSA-N -1 0 389.433 3.674 20 5 GHBDRM O=C([O-])c1cc(Br)ccc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000033411113 957180096 /nfs/dbraw/zinc/18/00/96/957180096.db2.gz NPEIYQWOOAUEOJ-BAQGIRSFSA-N -1 0 391.177 3.707 20 5 GHBDRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c2ccccc21 ZINC001605743428 972387847 /nfs/dbraw/zinc/38/78/47/972387847.db2.gz KQUJXKSJSXRTQE-IUODEOHRSA-N -1 0 394.305 3.657 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001588867656 962030020 /nfs/dbraw/zinc/03/00/20/962030020.db2.gz AARSNOXNFJUQJS-KGLIPLIRSA-N -1 0 380.466 3.716 20 5 GHBDRM CC(C)Oc1c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cccc1C(=O)[O-] ZINC001591747026 975788891 /nfs/dbraw/zinc/78/88/91/975788891.db2.gz YJVIVCJSVNWSTE-UHFFFAOYSA-N -1 0 399.403 3.907 20 5 GHBDRM CC[C@](CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])(C(=O)OC)c1ccccc1 ZINC001595173103 979749447 /nfs/dbraw/zinc/74/94/47/979749447.db2.gz ZRJSRJGLTUVYSQ-HXUWFJFHSA-N -1 0 386.404 3.534 20 5 GHBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC001595213035 980003742 /nfs/dbraw/zinc/00/37/42/980003742.db2.gz SBJHGMXLWYUBSD-SFHVURJKSA-N -1 0 384.432 3.667 20 5 GHBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595213614 980008080 /nfs/dbraw/zinc/00/80/80/980008080.db2.gz WHHOHNVROWQDII-ZOCIIQOWSA-N -1 0 382.416 3.990 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001595213634 980008328 /nfs/dbraw/zinc/00/83/28/980008328.db2.gz WTOKAQIROPEXIL-OGWOLHLISA-N -1 0 384.432 3.742 20 5 GHBDRM O=C(Nc1ccc(F)c(F)c1[O-])c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001625988042 1014639628 /nfs/dbraw/zinc/63/96/28/1014639628.db2.gz NMUDOJHQWNLUFA-UHFFFAOYSA-N -1 0 377.328 3.954 20 5 GHBDRM CCC(C)(C)C1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001594796664 981879493 /nfs/dbraw/zinc/87/94/93/981879493.db2.gz HXSMTLILJZZHKB-UHFFFAOYSA-N -1 0 398.481 3.566 20 5 GHBDRM CCN(C(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-])c1cccc2ccccc21 ZINC001596145229 983500416 /nfs/dbraw/zinc/50/04/16/983500416.db2.gz DPVBSRLISQZNTD-UHFFFAOYSA-N -1 0 394.383 3.878 20 5 GHBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001589002979 984949746 /nfs/dbraw/zinc/94/97/46/984949746.db2.gz SUMRCBWHXXZVBD-KTZABMDBSA-N -1 0 386.379 3.644 20 5 GHBDRM C[C@H](C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC001589353406 986329705 /nfs/dbraw/zinc/32/97/05/986329705.db2.gz XPUPIOGKBKHNNF-HNNXBMFYSA-N -1 0 396.443 3.878 20 5 GHBDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001597009658 986345424 /nfs/dbraw/zinc/34/54/24/986345424.db2.gz OLQNHHNMCOUBAM-JTQLQIEISA-N -1 0 376.340 3.573 20 5 GHBDRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC001589385545 986476695 /nfs/dbraw/zinc/47/66/95/986476695.db2.gz IWUDBGRZIYVIRR-HWPZZCPQSA-N -1 0 394.786 3.823 20 5 GHBDRM CCOc1cc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC001597042517 986494388 /nfs/dbraw/zinc/49/43/88/986494388.db2.gz UXAMIVXQNHIIQX-HNNXBMFYSA-N -1 0 387.392 3.639 20 5 GHBDRM C[C@H](C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001589430069 986714370 /nfs/dbraw/zinc/71/43/70/986714370.db2.gz QIOHLZMAWHSLLJ-ZETCQYMHSA-N -1 0 384.722 3.967 20 5 GHBDRM CC(C)(C(=O)[O-])c1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)cc1 ZINC001589641512 987564358 /nfs/dbraw/zinc/56/43/58/987564358.db2.gz UDYUHZCCHCVWOS-UHFFFAOYSA-N -1 0 383.404 3.593 20 5 GHBDRM CCc1ccc2c(c1)[C@H](NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)CCO2 ZINC001597569572 988336033 /nfs/dbraw/zinc/33/60/33/988336033.db2.gz XLAVGYLMTDZMMC-OAHLLOKOSA-N -1 0 399.403 3.809 20 5 GHBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001599822660 988541863 /nfs/dbraw/zinc/54/18/63/988541863.db2.gz MWHGABMQHCVUKR-CQSZACIVSA-N -1 0 398.799 3.665 20 5 GHBDRM CC(C)(C)OC(=O)N[C@H]1C[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCC2 ZINC001590137951 989389776 /nfs/dbraw/zinc/38/97/76/989389776.db2.gz CBIOWIAMHSVELZ-GJZGRUSLSA-N -1 0 391.424 3.541 20 5 GHBDRM COc1ccccc1C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC001599707012 991307504 /nfs/dbraw/zinc/30/75/04/991307504.db2.gz IDFUFZZCBUVFEM-AWEZNQCLSA-N -1 0 381.388 3.507 20 5 GHBDRM CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C(=O)[O-] ZINC001591153875 991900379 /nfs/dbraw/zinc/90/03/79/991900379.db2.gz XTBGUZGDZWAHDR-AWEZNQCLSA-N -1 0 386.404 3.864 20 5 GHBDRM CN(Cc1cscc1Br)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598535901 992839843 /nfs/dbraw/zinc/83/98/43/992839843.db2.gz FMAYMRCTRXMNPS-UHFFFAOYSA-N -1 0 385.239 3.749 20 5 GHBDRM CC(C)N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001591604188 992841315 /nfs/dbraw/zinc/84/13/15/992841315.db2.gz MKYNBNYNVFIYJI-UHFFFAOYSA-N -1 0 398.824 3.550 20 5 GHBDRM C[C@@](NC(=O)c1ccc(Oc2ccccc2)o1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593172518 994038055 /nfs/dbraw/zinc/03/80/55/994038055.db2.gz OUKCDBAAIRJMNG-FQEVSTJZSA-N -1 0 396.355 3.710 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1OCc1cc(Br)ccc1C(=O)[O-] ZINC001599623238 994113322 /nfs/dbraw/zinc/11/33/22/994113322.db2.gz WWXJQYMEKZALSJ-UHFFFAOYSA-N -1 0 382.166 3.643 20 5 GHBDRM COc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2Cl)c1[N+](=O)[O-] ZINC001599642849 994383207 /nfs/dbraw/zinc/38/32/07/994383207.db2.gz YHABKMQKDHBOAR-UHFFFAOYSA-N -1 0 385.159 3.861 20 5 GHBDRM COc1cccc([C@H]2CN(c3c(Cl)cc([N+](=O)[O-])cc3C(=O)[O-])CCO2)c1 ZINC001599664368 994705314 /nfs/dbraw/zinc/70/53/14/994705314.db2.gz KRSZOBIYSLBORX-MRXNPFEDSA-N -1 0 392.795 3.533 20 5 GHBDRM CNc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC001598678055 994880286 /nfs/dbraw/zinc/88/02/86/994880286.db2.gz FRHBIZOHAUIXRH-SFHVURJKSA-N -1 0 393.399 3.736 20 5 GHBDRM C[C@@H](Sc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)C(=O)[O-] ZINC001593673930 996087946 /nfs/dbraw/zinc/08/79/46/996087946.db2.gz TZZFPWUYSVNKTP-SNVBAGLBSA-N -1 0 379.365 3.656 20 5 GHBDRM COc1cc(-c2noc(CNc3cc(C(=O)[O-])cc([N+](=O)[O-])c3C)n2)ccc1C ZINC001599348754 998056490 /nfs/dbraw/zinc/05/64/90/998056490.db2.gz GPTYKJHRSTZFTQ-UHFFFAOYSA-N -1 0 398.375 3.581 20 5 GHBDRM COc1cc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)ccc1[N+](=O)[O-] ZINC001599353047 998130489 /nfs/dbraw/zinc/13/04/89/998130489.db2.gz HKETWRUZZGYHQH-OAHLLOKOSA-N -1 0 378.425 3.537 20 5 GHBDRM COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)[O-])c2Cl)cc1SC ZINC001599461843 998286646 /nfs/dbraw/zinc/28/66/46/998286646.db2.gz DDGLDDIUVXQGGI-UHFFFAOYSA-N -1 0 396.808 3.929 20 5 GHBDRM COCCOc1cc(C)ccc1CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001599257011 998320471 /nfs/dbraw/zinc/32/04/71/998320471.db2.gz KNMHTVNSZLXSID-UHFFFAOYSA-N -1 0 394.811 3.892 20 5 GHBDRM COc1ccc(-c2ccc(CNc3nc(C(=O)[O-])ccc3[N+](=O)[O-])cc2)cc1 ZINC001599468228 998402455 /nfs/dbraw/zinc/40/24/55/998402455.db2.gz HGPDBUMBBYUQLU-UHFFFAOYSA-N -1 0 379.372 3.976 20 5 GHBDRM COc1ccc(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])cc1Br ZINC001599573986 998410978 /nfs/dbraw/zinc/41/09/78/998410978.db2.gz WEKDEHYLCHFLGZ-UHFFFAOYSA-N -1 0 395.209 3.985 20 5 GHBDRM COc1ccc(COC(=O)c2ccccc2S[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001599575482 998435952 /nfs/dbraw/zinc/43/59/52/998435952.db2.gz HZEXFWZVMIUJGS-LLVKDONJSA-N -1 0 391.401 3.526 20 5 GHBDRM COc1ccc(Cl)cc1[C@@H](O)CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001599579886 998510391 /nfs/dbraw/zinc/51/03/91/998510391.db2.gz ZUORCGLJKNWIFX-QTONRWBISA-N -1 0 392.795 3.500 20 5 GHBDRM C[C@H]1CC[C@@](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)(C(=O)[O-])c2ccccc21 ZINC001594324012 999248811 /nfs/dbraw/zinc/24/88/11/999248811.db2.gz WPMBLRFJEGBZAN-WLRWDXFRSA-N -1 0 388.807 3.855 20 5 GHBDRM C[C@@H](O)CCCC(=O)Oc1ccc2c(c1)oc1c2c(=O)oc2cc([O-])ccc12 ZINC001227516264 1032449099 /nfs/dbraw/zinc/44/90/99/1032449099.db2.gz AYBKFVGTDYEEPO-LLVKDONJSA-N -1 0 382.368 3.855 20 5 GHBDRM CCOc1ccc([C@@H](C)Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])c(OCC)c1 ZINC001228603900 1033001979 /nfs/dbraw/zinc/00/19/79/1033001979.db2.gz NBQBETQMVBTXIM-LLVKDONJSA-N -1 0 389.408 3.905 20 5 GHBDRM Cc1cc2nc3nc(=O)[n-]c(O[C@H]4CCC(=O)c5ccccc54)c3nc2cc1C ZINC001228683610 1033042084 /nfs/dbraw/zinc/04/20/84/1033042084.db2.gz BBWJGRWCLDNMIO-SFHVURJKSA-N -1 0 386.411 3.992 20 5 GHBDRM O=C(N[C@@H]1CCOc2c(Cl)c(Cl)ccc21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000754480839 1022731097 /nfs/dbraw/zinc/73/10/97/1022731097.db2.gz MVVMFDZERLZYCZ-LLVKDONJSA-N -1 0 383.187 3.861 20 5 GHBDRM CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000755309032 1023185186 /nfs/dbraw/zinc/18/51/86/1023185186.db2.gz ZGEHPVQYSXGKEA-UHFFFAOYSA-N -1 0 387.392 3.577 20 5 GHBDRM CCCCOC[C@H](C)OC[C@@H](C)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228860322 1033145317 /nfs/dbraw/zinc/14/53/17/1033145317.db2.gz TXFUOJZPEKPPNC-WDEREUQCSA-N -1 0 396.362 3.703 20 5 GHBDRM CC(C)n1ncc2c1[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])CCC2 ZINC001138066407 1023980189 /nfs/dbraw/zinc/98/01/89/1023980189.db2.gz XGKXDRSIBRBBQW-ZDUSSCGKSA-N -1 0 378.816 3.539 20 5 GHBDRM O=C(NCc1cccc(Br)c1Cl)c1cccc([N+](=O)[O-])c1[O-] ZINC001161921662 1025495754 /nfs/dbraw/zinc/49/57/54/1025495754.db2.gz SSEUIZVATCLYSY-UHFFFAOYSA-N -1 0 385.601 3.646 20 5 GHBDRM O=C(NCc1ccccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001141798468 1027310840 /nfs/dbraw/zinc/31/08/40/1027310840.db2.gz NMPIBAZXRYXHLP-UHFFFAOYSA-N -1 0 378.384 3.809 20 5 GHBDRM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1cccc(F)c1F ZINC001211093372 1027785545 /nfs/dbraw/zinc/78/55/45/1027785545.db2.gz QFKBXFSHKNQVHR-ZETCQYMHSA-N -1 0 394.758 3.705 20 5 GHBDRM COC(=O)c1cc(Br)c([O-])c(Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC001211289577 1027893323 /nfs/dbraw/zinc/89/33/23/1027893323.db2.gz SJJNZXJNKRNHIZ-UHFFFAOYSA-N -1 0 381.182 3.902 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000841502172 1028701492 /nfs/dbraw/zinc/70/14/92/1028701492.db2.gz XBZAQIVPFGPWLZ-UHFFFAOYSA-N -1 0 399.403 3.544 20 5 GHBDRM COc1c(Br)cccc1-c1noc(-c2cccc([N+](=O)[O-])c2[O-])n1 ZINC001216700550 1029734421 /nfs/dbraw/zinc/73/44/21/1029734421.db2.gz BNQGUQOZYHNYSW-UHFFFAOYSA-N -1 0 392.165 3.789 20 5 GHBDRM COc1ccc(-c2noc(-c3c([O-])cccc3[N+](=O)[O-])n2)c(OC(F)(F)F)c1 ZINC001216845495 1029960324 /nfs/dbraw/zinc/96/03/24/1029960324.db2.gz RNNSLKCDBJEVET-UHFFFAOYSA-N -1 0 397.265 3.925 20 5 GHBDRM O=[N+]([O-])c1cc([O-])ccc1-c1nc(-c2ccc(OCc3ccccc3)cn2)no1 ZINC001216893300 1029983677 /nfs/dbraw/zinc/98/36/77/1029983677.db2.gz COYCQIQLMMFBNP-UHFFFAOYSA-N -1 0 390.355 3.991 20 5 GHBDRM O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC001143347998 1030057511 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HHVCXLFWVLEBNT-VIFPVBQESA-N -1 0 383.401 3.880 20 5 GHBDRM CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1[N-]c1ccccc1[N+](=O)[O-] ZINC001206144559 1033740885 /nfs/dbraw/zinc/74/08/85/1033740885.db2.gz NOASOEHOHSMXEW-UHFFFAOYSA-N -1 0 377.422 3.587 20 5 GHBDRM CC(=O)[N-]S(=O)(=O)c1ccc(-c2cc3ccccc3c3ccccc32)nc1 ZINC001241132519 1035518512 /nfs/dbraw/zinc/51/85/12/1035518512.db2.gz LTAAXZCTVOMHJF-UHFFFAOYSA-N -1 0 376.437 3.880 20 5 GHBDRM O=[N+]([O-])c1cc(Cc2nc(-c3cccc(F)c3Br)no2)ccc1[O-] ZINC001247988568 1038527403 /nfs/dbraw/zinc/52/74/03/1038527403.db2.gz XKTVSZNTILGBSL-UHFFFAOYSA-N -1 0 394.156 3.843 20 5 GHBDRM O=[N+]([O-])c1cc(Cc2nc(-c3ccc(Br)c(F)c3)no2)ccc1[O-] ZINC001247989441 1038528079 /nfs/dbraw/zinc/52/80/79/1038528079.db2.gz QPCQYROLVHWWSE-UHFFFAOYSA-N -1 0 394.156 3.843 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2nnc(-c3cc(F)cc(Br)c3)o2)c1[O-] ZINC001255967197 1041446143 /nfs/dbraw/zinc/44/61/43/1041446143.db2.gz ZRYYJSLLSKUHIR-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001292110887 1043597083 /nfs/dbraw/zinc/59/70/83/1043597083.db2.gz ZSWWTJKMYVGPIC-JTQLQIEISA-N -1 0 384.310 3.517 20 5 GHBDRM Cc1cc(C)n(Cc2ccc(-c3nnc(-c4cc([N+](=O)[O-])ccc4[O-])o3)cc2)n1 ZINC001257921739 1044260181 /nfs/dbraw/zinc/26/01/81/1044260181.db2.gz FCNGZJHEBLPRDD-UHFFFAOYSA-N -1 0 391.387 3.879 20 5 GHBDRM CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001294554172 1044701665 /nfs/dbraw/zinc/70/16/65/1044701665.db2.gz BMDCEOGECQIXCN-CQSZACIVSA-N -1 0 389.839 3.825 20 5 GHBDRM CC(=O)Nc1ccccc1C(F)(F)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001295615083 1045072283 /nfs/dbraw/zinc/07/22/83/1045072283.db2.gz UHRAGXVHXUSNLS-UHFFFAOYSA-N -1 0 399.737 3.643 20 5 GHBDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)NCCc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC001295918530 1045189731 /nfs/dbraw/zinc/18/97/31/1045189731.db2.gz KZYKCAALQNPXEN-UHFFFAOYSA-N -1 0 394.431 3.582 20 5 GHBDRM O=C(NCCc1c2ccccc2[nH]c1C(F)(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001302286630 1046901275 /nfs/dbraw/zinc/90/12/75/1046901275.db2.gz WMUBJGAEGOBPGY-UHFFFAOYSA-N -1 0 393.321 3.773 20 5 GHBDRM CC(=O)c1cc(F)c([O-])c(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC001303885240 1047527039 /nfs/dbraw/zinc/52/70/39/1047527039.db2.gz AAPUBXWYXHOORK-UHFFFAOYSA-N -1 0 386.257 3.913 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccn(C3CCCCC3)n2)c1[N+](=O)[O-] ZINC001343771646 1054014596 /nfs/dbraw/zinc/01/45/96/1054014596.db2.gz ZBQVANFHMHHSFC-UHFFFAOYSA-N -1 0 378.454 3.714 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)CC2CCCCC2)cc([N+](=O)[O-])c1C ZINC001318563705 1054721133 /nfs/dbraw/zinc/72/11/33/1054721133.db2.gz LBLQBLDTGLEYNT-CYBMUJFWSA-N -1 0 382.482 3.623 20 5 GHBDRM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)c(O)c1 ZINC001321013141 1056055893 /nfs/dbraw/zinc/05/58/93/1056055893.db2.gz AKQIGLPVSCNAGQ-UHFFFAOYSA-N -1 0 394.225 3.894 20 5 GHBDRM O=C(Cc1ccc(Br)s1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001446829539 1059875025 /nfs/dbraw/zinc/87/50/25/1059875025.db2.gz ONVADZOXCYVOER-UHFFFAOYSA-N -1 0 391.630 3.959 20 5 GHBDRM CC1(C)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC001448401552 1060176424 /nfs/dbraw/zinc/17/64/24/1060176424.db2.gz MLHXRDOPOJYAIW-UFYHVXEKSA-N -1 0 394.855 3.764 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC(Cc2ccccc2C(F)(F)F)C1 ZINC001342016931 1060998014 /nfs/dbraw/zinc/99/80/14/1060998014.db2.gz HHTNHXITHTWMIC-UHFFFAOYSA-N -1 0 380.322 3.634 20 5 GHBDRM O=C(Nc1cccc(-c2nnsc2Cl)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001454194262 1061643838 /nfs/dbraw/zinc/64/38/38/1061643838.db2.gz YMHLUBGCLIQHSW-UHFFFAOYSA-N -1 0 376.781 3.725 20 5 GHBDRM O=C(N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC001455067414 1061991410 /nfs/dbraw/zinc/99/14/10/1061991410.db2.gz QRHIKWSFKJSQMH-PBHICJAKSA-N -1 0 376.796 3.604 20 5 GHBDRM COc1cc(C(=O)[N-]c2c(F)cc(C(C)=O)c(F)c2F)c([N+](=O)[O-])cc1F ZINC001435595237 1062764574 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DQCWCAPPMIKJSW-CYBMUJFWSA-N -1 0 396.318 3.526 20 5 GHBDRM O=C([O-])c1sc2cccc(F)c2c1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000738715928 599794201 /nfs/dbraw/zinc/79/42/01/599794201.db2.gz XPCQQQZQPHYLQO-UHFFFAOYSA-N -1 0 398.375 3.954 20 5 GHBDRM O=C([O-])c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)c(OCC(F)(F)F)c1 ZINC000740161144 599799861 /nfs/dbraw/zinc/79/98/61/599799861.db2.gz JILHKOGMLSMUBV-UHFFFAOYSA-N -1 0 390.295 3.548 20 5 GHBDRM O=C([O-])/C=C\c1ccc(NCc2cccc(OCC(F)F)c2)c([N+](=O)[O-])c1 ZINC000739624478 599842710 /nfs/dbraw/zinc/84/27/10/599842710.db2.gz KVUORDDXJALIDH-ALCCZGGFSA-N -1 0 378.331 3.949 20 5 GHBDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000537403198 599851801 /nfs/dbraw/zinc/85/18/01/599851801.db2.gz QTAMVFGNRXGODF-CQSZACIVSA-N -1 0 399.428 3.744 20 5 GHBDRM O=C([O-])c1coc(COC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000740271776 599880822 /nfs/dbraw/zinc/88/08/22/599880822.db2.gz RJTGUMOXHFVMHF-UHFFFAOYSA-N -1 0 396.355 3.855 20 5 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ZINC000558138023 600478664 /nfs/dbraw/zinc/47/86/64/600478664.db2.gz JRFZJSCPKWBNHP-UHFFFAOYSA-N -1 0 381.344 3.560 20 5 GHBDRM O=C([O-])CCCOc1ccc(CNc2ccc([N+](=O)[O-])c3cnccc23)cc1 ZINC000739683253 600504130 /nfs/dbraw/zinc/50/41/30/600504130.db2.gz QWRJEGYOYJQKHN-UHFFFAOYSA-N -1 0 381.388 3.999 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c(C(=O)[O-])c1 ZINC000738629135 600525039 /nfs/dbraw/zinc/52/50/39/600525039.db2.gz ZVBAFOYLIZHPAJ-UHFFFAOYSA-N -1 0 379.166 3.616 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1 ZINC000738670181 600538987 /nfs/dbraw/zinc/53/89/87/600538987.db2.gz VELAILUJVBTQFF-INIZCTEOSA-N -1 0 376.315 3.549 20 5 GHBDRM O=C([O-])c1cc(NC(=O)CCCOc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000739233242 600544728 /nfs/dbraw/zinc/54/47/28/600544728.db2.gz ORZRRUNOUTXDSI-UHFFFAOYSA-N -1 0 378.768 3.744 20 5 GHBDRM CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1C(=O)[O-] ZINC000737060058 600549810 /nfs/dbraw/zinc/54/98/10/600549810.db2.gz 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COc1ccc2c(c1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CCC2 ZINC000480238782 864327536 /nfs/dbraw/zinc/32/75/36/864327536.db2.gz CUZKUUJLAVOSCL-UHFFFAOYSA-N -1 0 382.825 3.546 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nc3ccsc3s2)ccc1Cl ZINC000735606850 864877350 /nfs/dbraw/zinc/87/73/50/864877350.db2.gz ABWIBMHVBWRKDJ-UHFFFAOYSA-N -1 0 375.840 3.720 20 5 GHBDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c1C ZINC000736421508 865202943 /nfs/dbraw/zinc/20/29/43/865202943.db2.gz VFCUFXPMRSSYNR-UHFFFAOYSA-N -1 0 398.824 3.672 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1cccc2c1CCO2 ZINC000478706012 866508876 /nfs/dbraw/zinc/50/88/76/866508876.db2.gz UBSWKYLKEWPUQH-UHFFFAOYSA-N -1 0 389.216 3.637 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c(Cl)c1Cl ZINC000742024750 867013547 /nfs/dbraw/zinc/01/35/47/867013547.db2.gz AUCMLZPUHRTGRF-UHFFFAOYSA-N -1 0 395.195 3.850 20 5 GHBDRM COc1ccc([C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2ccc(F)cc2)cc1 ZINC000475621533 867809021 /nfs/dbraw/zinc/80/90/21/867809021.db2.gz UPSVKLLXOYMJIS-HXUWFJFHSA-N -1 0 396.374 3.968 20 5 GHBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1-n1cccc1 ZINC000743256423 867993182 /nfs/dbraw/zinc/99/31/82/867993182.db2.gz BUVQGYATNPHAIX-UHFFFAOYSA-N -1 0 395.799 3.979 20 5 GHBDRM CCc1cccc(CC)c1NC(=O)Cc1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000445321638 868264800 /nfs/dbraw/zinc/26/48/00/868264800.db2.gz SGTMRHAWIKCDGF-UHFFFAOYSA-N -1 0 396.403 3.656 20 5 GHBDRM Cc1ccc(C(=O)N[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000539569500 869369979 /nfs/dbraw/zinc/36/99/79/869369979.db2.gz ZYRNTUJGZDXEAS-AWEZNQCLSA-N -1 0 397.214 3.636 20 5 GHBDRM O=C([O-])C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CCCCC1 ZINC000539616179 869433733 /nfs/dbraw/zinc/43/37/33/869433733.db2.gz PTYPVXHCRUTMKJ-AWEZNQCLSA-N -1 0 376.434 3.963 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000462617418 869764722 /nfs/dbraw/zinc/76/47/22/869764722.db2.gz CKNCAHVUUWDUEO-MRXNPFEDSA-N -1 0 376.416 3.681 20 5 GHBDRM CC(C)CCOc1ccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000745979918 869925038 /nfs/dbraw/zinc/92/50/38/869925038.db2.gz PJTZBURIUNKYQM-UHFFFAOYSA-N -1 0 382.413 3.960 20 5 GHBDRM CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])O[C@H](C)C2 ZINC000539972185 870136237 /nfs/dbraw/zinc/13/62/37/870136237.db2.gz YPDRHGZWCCYAMQ-DIOULYMOSA-N -1 0 398.415 3.765 20 5 GHBDRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1Cl ZINC000181200310 870256429 /nfs/dbraw/zinc/25/64/29/870256429.db2.gz OSZDABCBHUGYSG-UHFFFAOYSA-N -1 0 382.825 3.868 20 5 GHBDRM COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cc1SC ZINC000738078796 870743529 /nfs/dbraw/zinc/74/35/29/870743529.db2.gz FAOUVXZXQQPALH-YVMONPNESA-N -1 0 388.401 3.675 20 5 GHBDRM Cn1c(CNc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)nc2cc(C(F)(F)F)ccc21 ZINC001169034373 871111797 /nfs/dbraw/zinc/11/17/97/871111797.db2.gz QLOBCEICILDRFN-UHFFFAOYSA-N -1 0 394.309 3.811 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)nn1-c1ccc(C)cc1 ZINC000540501914 871470686 /nfs/dbraw/zinc/47/06/86/871470686.db2.gz XJHLTCWFTLNDDD-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000181785227 871478961 /nfs/dbraw/zinc/47/89/61/871478961.db2.gz JCGLGXKKDHLWLS-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1cccc([N+](=O)[O-])c1[O-] ZINC000447547183 871821979 /nfs/dbraw/zinc/82/19/79/871821979.db2.gz BILAFACMIKETMN-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000540847453 872305574 /nfs/dbraw/zinc/30/55/74/872305574.db2.gz QTWPLGILIWYWRL-NOZJJQNGSA-N -1 0 389.795 3.801 20 5 GHBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000619270114 872497666 /nfs/dbraw/zinc/49/76/66/872497666.db2.gz WAKXTTLGGZIMIK-UHFFFAOYSA-N -1 0 384.417 3.688 20 5 GHBDRM CC(=O)c1cc(F)c([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c(F)c1F ZINC000763538709 872507994 /nfs/dbraw/zinc/50/79/94/872507994.db2.gz MMSCTMMMJMOLJV-UHFFFAOYSA-N -1 0 397.265 3.684 20 5 GHBDRM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000742232142 872846578 /nfs/dbraw/zinc/84/65/78/872846578.db2.gz GYVFZPSMONNMPU-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM COC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC001197146023 873623108 /nfs/dbraw/zinc/62/31/08/873623108.db2.gz PLJOTYYWPYKYQB-OAHLLOKOSA-N -1 0 381.226 3.540 20 5 GHBDRM CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768866169 873629776 /nfs/dbraw/zinc/62/97/76/873629776.db2.gz PPAAFSHQVIRURY-UHFFFAOYSA-N -1 0 386.451 3.645 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2csc([N-]S(=O)(=O)Cc3ccc(F)cc3)n2)c1 ZINC000192612559 882801063 /nfs/dbraw/zinc/80/10/63/882801063.db2.gz UWOQIOCJNHYNNU-UHFFFAOYSA-N -1 0 393.421 3.799 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1[N+](=O)[O-] ZINC000769674266 874226985 /nfs/dbraw/zinc/22/69/85/874226985.db2.gz ZBMNOGKTLWHYIC-UHFFFAOYSA-N -1 0 385.785 3.574 20 5 GHBDRM CCCN(CCC)C(=O)CCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000541818755 874359595 /nfs/dbraw/zinc/35/95/95/874359595.db2.gz AKYCYVZHANTWBD-UHFFFAOYSA-N -1 0 385.848 3.711 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1nc2c(ccc(F)c2C)s1 ZINC000464913821 874741455 /nfs/dbraw/zinc/74/14/55/874741455.db2.gz SQBADBKCZGJLDZ-UHFFFAOYSA-N -1 0 381.410 3.761 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cccc(C(F)F)c3)n[nH]2)c1 ZINC000780395965 875059260 /nfs/dbraw/zinc/05/92/60/875059260.db2.gz UKJWBMXGRHTXTG-UHFFFAOYSA-N -1 0 394.359 3.723 20 5 GHBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2OCC(F)F)cc1[N+](=O)[O-] ZINC000491579063 875804812 /nfs/dbraw/zinc/80/48/12/875804812.db2.gz MQPRIRWKEVBNIT-UHFFFAOYSA-N -1 0 386.376 3.656 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1cc(Cl)c2c(c1)OCCCO2 ZINC000609336829 883032511 /nfs/dbraw/zinc/03/25/11/883032511.db2.gz FEWKSLQQMQOCGD-NSCUHMNNSA-N -1 0 376.752 3.673 20 5 GHBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000786466138 876726256 /nfs/dbraw/zinc/72/62/56/876726256.db2.gz PQNJEVZSRPHLND-UHFFFAOYSA-N -1 0 396.153 3.532 20 5 GHBDRM COc1cc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])c(SC)cc1OC ZINC000610150970 877441244 /nfs/dbraw/zinc/44/12/44/877441244.db2.gz XHNLGRBZZTWNDA-SNAWJCMRSA-N -1 0 376.390 3.598 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000610156646 877457457 /nfs/dbraw/zinc/45/74/57/877457457.db2.gz YXMVKLSGDPHLII-UHFFFAOYSA-N -1 0 380.731 3.775 20 5 GHBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N(C)c1ccc(C(C)C)cc1 ZINC000477411750 877586486 /nfs/dbraw/zinc/58/64/86/877586486.db2.gz DFSNYZAIHPYUBY-UHFFFAOYSA-N -1 0 392.433 3.550 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)ccc1Cl ZINC000179524799 877678449 /nfs/dbraw/zinc/67/84/49/877678449.db2.gz BVWKHHSWFWGUIJ-UHFFFAOYSA-N -1 0 379.781 3.704 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccc3ccn(C)c32)cc1[N+](=O)[O-] ZINC000788061295 877806876 /nfs/dbraw/zinc/80/68/76/877806876.db2.gz BCDBADXYEIJCJQ-UHFFFAOYSA-N -1 0 379.825 3.849 20 5 GHBDRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000788088721 877828680 /nfs/dbraw/zinc/82/86/80/877828680.db2.gz OZWVHBHKLHKWRK-UHFFFAOYSA-N -1 0 383.404 3.762 20 5 GHBDRM COc1cc(C)c(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1C(C)C ZINC000788478531 878090827 /nfs/dbraw/zinc/09/08/27/878090827.db2.gz PUCVFLCZGIIMQJ-UHFFFAOYSA-N -1 0 382.413 3.975 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Br)c(F)c1 ZINC000460817716 878613892 /nfs/dbraw/zinc/61/38/92/878613892.db2.gz CHUGFJXAPWRXJI-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)c([N+](=O)[O-])c1 ZINC000460860707 878736507 /nfs/dbraw/zinc/73/65/07/878736507.db2.gz XJBVFIDJJZCLMS-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM CC(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)sc2c1 ZINC000789761211 879240079 /nfs/dbraw/zinc/24/00/79/879240079.db2.gz BRYDDHKCBUDDFT-UHFFFAOYSA-N -1 0 391.430 3.516 20 5 GHBDRM O=C(N[C@H](COc1ccccc1F)c1ccccc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000538315827 879241869 /nfs/dbraw/zinc/24/18/69/879241869.db2.gz QLTSUIKSCGDDSV-QGZVFWFLSA-N -1 0 396.374 3.990 20 5 GHBDRM Cc1cccc(C([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c2cccc(C)c2)c1 ZINC000531213240 879353645 /nfs/dbraw/zinc/35/36/45/879353645.db2.gz ROXPSLAGFZTHTD-UHFFFAOYSA-N -1 0 397.456 3.675 20 5 GHBDRM O=C([O-])c1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000238110508 879634153 /nfs/dbraw/zinc/63/41/53/879634153.db2.gz XIZHOCPLNLXFIC-UHFFFAOYSA-N -1 0 397.309 3.753 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000790382694 879653086 /nfs/dbraw/zinc/65/30/86/879653086.db2.gz ZDYZZTVFOZEENI-UHFFFAOYSA-N -1 0 385.785 3.574 20 5 GHBDRM COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000790409297 879688393 /nfs/dbraw/zinc/68/83/93/879688393.db2.gz MZFUOIIQIQHDNM-UHFFFAOYSA-N -1 0 395.195 3.850 20 5 GHBDRM COc1ccc(-c2ccc(CN=c3[n-]nc(CC(C)(C)C)o3)o2)c([N+](=O)[O-])c1 ZINC000538593001 879764723 /nfs/dbraw/zinc/76/47/23/879764723.db2.gz NWFRNGXBOCAHMG-UHFFFAOYSA-N -1 0 386.408 3.869 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(OC2CCC2)c(F)c1 ZINC000175039585 883201355 /nfs/dbraw/zinc/20/13/55/883201355.db2.gz SFSATUJGLQEVMF-UHFFFAOYSA-N -1 0 384.360 3.605 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1SC ZINC000064374846 883228309 /nfs/dbraw/zinc/22/83/09/883228309.db2.gz JGPGJSIAUGZNRW-UHFFFAOYSA-N -1 0 388.854 3.780 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccnn2-c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000609691225 883524417 /nfs/dbraw/zinc/52/44/17/883524417.db2.gz XCJCBZVGJRMPCX-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc([N+](=O)[O-])nc3)cc2)s1 ZINC000609797090 883658468 /nfs/dbraw/zinc/65/84/68/883658468.db2.gz FVLAXEYWHOBFBQ-UHFFFAOYSA-N -1 0 391.430 3.953 20 5 GHBDRM O=C(NCc1ccccc1COCc1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000122014900 884237875 /nfs/dbraw/zinc/23/78/75/884237875.db2.gz BCCBKQYUWGYMRH-UHFFFAOYSA-N -1 0 392.411 3.947 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)cc1[N+](=O)[O-] ZINC000176578416 884645840 /nfs/dbraw/zinc/64/58/40/884645840.db2.gz HNJVPEPEJXMQKZ-UHFFFAOYSA-N -1 0 387.870 3.693 20 5 GHBDRM C[C@H]1Sc2ccc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])cc2NC1=O ZINC000537546664 885202511 /nfs/dbraw/zinc/20/25/11/885202511.db2.gz JYXCTDMBTRBUMN-SSDOTTSWSA-N -1 0 393.808 3.639 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccnc1OCc1ccccc1 ZINC000609218833 885476176 /nfs/dbraw/zinc/47/61/76/885476176.db2.gz GWNQTCPEUQSVBQ-UHFFFAOYSA-N -1 0 399.428 3.678 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(SC)c(Cl)c1 ZINC000476406728 885639150 /nfs/dbraw/zinc/63/91/50/885639150.db2.gz OHDQJEGGFWSBRR-UHFFFAOYSA-N -1 0 388.854 3.780 20 5 GHBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1OC(F)F ZINC000762452482 886233240 /nfs/dbraw/zinc/23/32/40/886233240.db2.gz FCDDNDSXTZZWDR-UHFFFAOYSA-N -1 0 396.730 3.790 20 5 GHBDRM CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000863469818 887134095 /nfs/dbraw/zinc/13/40/95/887134095.db2.gz KYBLDIHYEDTKBI-UHFFFAOYSA-N -1 0 387.392 3.924 20 5 GHBDRM O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000475924738 888501875 /nfs/dbraw/zinc/50/18/75/888501875.db2.gz FGPHKXPXASFPEF-UHFFFAOYSA-N -1 0 393.852 3.759 20 5 GHBDRM O=C([O-])[C@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000532867778 889166715 /nfs/dbraw/zinc/16/67/15/889166715.db2.gz AHRLTTNRBQDSCY-LBPRGKRZSA-N -1 0 390.779 3.587 20 5 GHBDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)C ZINC000916752787 890188968 /nfs/dbraw/zinc/18/89/68/890188968.db2.gz AWOVLXDIGFSHJM-SNVBAGLBSA-N -1 0 376.862 3.516 20 5 GHBDRM CCOc1ccc([C@@H](O)C2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)cc1 ZINC000812777432 890954858 /nfs/dbraw/zinc/95/48/58/890954858.db2.gz 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CCC1(CC)[C@H](NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)[C@@H](C)[C@@H]1OC ZINC001595373105 980869232 /nfs/dbraw/zinc/86/92/32/980869232.db2.gz CJQDGFBUOIEFRV-LYRGGWFBSA-N -1 0 393.440 3.563 20 5 GHBDRM CCC[C@@H]1C[C@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001596011526 983273912 /nfs/dbraw/zinc/27/39/12/983273912.db2.gz ZQUQFLZAMQRVNG-FRFSOERESA-N -1 0 399.451 3.515 20 5 GHBDRM C[C@H](NCc1ccc(C(=O)[O-])cc1Br)c1ccccc1[N+](=O)[O-] ZINC001599901252 984832658 /nfs/dbraw/zinc/83/26/58/984832658.db2.gz CVINIEBEGLOACP-JTQLQIEISA-N -1 0 379.210 3.906 20 5 GHBDRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC001589378719 986448645 /nfs/dbraw/zinc/44/86/45/986448645.db2.gz PRGBSWUMDIJPMS-CWTRNNRKSA-N -1 0 396.374 3.933 20 5 GHBDRM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2c(CC)cccc2C(=O)[O-])cc1OC ZINC001597044107 986502184 /nfs/dbraw/zinc/50/21/84/986502184.db2.gz BDHLBBMERYPEMW-UHFFFAOYSA-N -1 0 388.376 3.515 20 5 GHBDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 ZINC001589461157 986909847 /nfs/dbraw/zinc/90/98/47/986909847.db2.gz AWULQOWLNGHQLD-MEBBXXQBSA-N -1 0 396.321 3.805 20 5 GHBDRM C[C@@H](C(=O)[O-])[C@@H](NCc1c(Br)cccc1[N+](=O)[O-])c1ccccc1 ZINC001589467209 986923815 /nfs/dbraw/zinc/92/38/15/986923815.db2.gz BBKRTRUISAFRPN-BDJLRTHQSA-N -1 0 393.237 3.909 20 5 GHBDRM CC[C@@H](C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)C1CCC(C)CC1 ZINC001594728942 987237807 /nfs/dbraw/zinc/23/78/07/987237807.db2.gz KMEAAUBVQYJMHB-REDJGORVSA-N -1 0 376.453 3.863 20 5 GHBDRM CC(C)(C(=O)[O-])[C@H](NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001589593226 987407155 /nfs/dbraw/zinc/40/71/55/987407155.db2.gz ZSLJADHUVCHLSV-OKZBNKHCSA-N -1 0 382.416 3.667 20 5 GHBDRM CSC1(CNc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001599786695 987933622 /nfs/dbraw/zinc/93/36/22/987933622.db2.gz RGQORZQVXFWDEB-UHFFFAOYSA-N -1 0 386.429 3.832 20 5 GHBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC001599810637 988328852 /nfs/dbraw/zinc/32/88/52/988328852.db2.gz BGHUUYBUZGMFKY-HNNXBMFYSA-N -1 0 388.445 3.879 20 5 GHBDRM CC(C)(C)OC(=O)CCc1cccc(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001589877842 988542881 /nfs/dbraw/zinc/54/28/81/988542881.db2.gz INWCINFAHXJXEG-UHFFFAOYSA-N -1 0 387.392 3.706 20 5 GHBDRM CCc1nc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])sc1C(=O)[O-] ZINC001597678018 988795151 /nfs/dbraw/zinc/79/51/51/988795151.db2.gz IKXYMLABEBXCIO-UHFFFAOYSA-N -1 0 383.813 3.537 20 5 GHBDRM CN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C1(C(=O)[O-])CCCCC1 ZINC001598093432 990441311 /nfs/dbraw/zinc/44/13/11/990441311.db2.gz FMCKJCSTVJCSFE-UHFFFAOYSA-N -1 0 383.404 3.516 20 5 GHBDRM CC(C)(O)COc1ccc(Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC001590901904 990859625 /nfs/dbraw/zinc/85/96/25/990859625.db2.gz JQOLFPIDQQQINH-UHFFFAOYSA-N -1 0 380.784 3.840 20 5 GHBDRM CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C(=O)[O-] ZINC001591153876 991900355 /nfs/dbraw/zinc/90/03/55/991900355.db2.gz XTBGUZGDZWAHDR-CQSZACIVSA-N -1 0 386.404 3.864 20 5 GHBDRM CC(C)C[C@H](NC(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-])c1ccccc1 ZINC001591173283 991964419 /nfs/dbraw/zinc/96/44/19/991964419.db2.gz GYOCNPYQFRLADZ-INIZCTEOSA-N -1 0 386.404 3.575 20 5 GHBDRM CC(C)N(C)c1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1F ZINC001591560741 992758392 /nfs/dbraw/zinc/75/83/92/992758392.db2.gz HTIARVGSTIOREH-UHFFFAOYSA-N -1 0 375.356 3.529 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001599622113 994098640 /nfs/dbraw/zinc/09/86/40/994098640.db2.gz RHUMOWBWESFNHA-UHFFFAOYSA-N -1 0 385.159 3.861 20 5 GHBDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC001599650411 994489762 /nfs/dbraw/zinc/48/97/62/994489762.db2.gz WBGZULBRWBHWOQ-SZRHCGQDSA-N -1 0 398.415 3.513 20 5 GHBDRM C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cc(C(=O)[O-])co1 ZINC001593542942 995617452 /nfs/dbraw/zinc/61/74/52/995617452.db2.gz YNPDMKWGUCBSOO-ZDUSSCGKSA-N -1 0 391.379 3.750 20 5 GHBDRM C[C@H](c1ccsc1)N1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001593725169 996274078 /nfs/dbraw/zinc/27/40/78/996274078.db2.gz QXYYLADKCVBYEG-LLVKDONJSA-N -1 0 395.868 3.891 20 5 GHBDRM CC1(C)CCC[C@](NC(=O)c2cccc([N+](=O)[O-])c2Br)(C(=O)[O-])C1 ZINC001593892771 996743267 /nfs/dbraw/zinc/74/32/67/996743267.db2.gz RPMSMFXEBKKMLE-MRXNPFEDSA-N -1 0 399.241 3.511 20 5 GHBDRM COc1cc(C(=O)[O-])ccc1OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001599379041 996802511 /nfs/dbraw/zinc/80/25/11/996802511.db2.gz JDTNPAYBWUVGJP-UHFFFAOYSA-N -1 0 385.250 3.540 20 5 GHBDRM CC1(C)CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC001593911835 996806911 /nfs/dbraw/zinc/80/69/11/996806911.db2.gz OXLKCBDFOBPOOP-GOSISDBHSA-N -1 0 382.416 3.949 20 5 GHBDRM COc1ccc(C(=O)[O-])c2c1CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)CC2 ZINC001599502145 997143678 /nfs/dbraw/zinc/14/36/78/997143678.db2.gz SYSFQYLOHMVHEF-UHFFFAOYSA-N -1 0 376.796 3.513 20 5 GHBDRM C[C@]1(c2ccccc2)CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC001594079435 997967237 /nfs/dbraw/zinc/96/72/37/997967237.db2.gz FDAAJJVXQMADGV-NRFANRHFSA-N -1 0 382.416 3.877 20 5 GHBDRM COc1cc(Br)ccc1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001599347571 998034767 /nfs/dbraw/zinc/03/47/67/998034767.db2.gz HWVRGHJTNQVAMK-UHFFFAOYSA-N -1 0 395.209 3.605 20 5 GHBDRM O=C(NCCc1ccccc1OC(F)F)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001154495981 1032143822 /nfs/dbraw/zinc/14/38/22/1032143822.db2.gz SCECWTZSEKWOPM-UHFFFAOYSA-N -1 0 386.738 3.528 20 5 GHBDRM CO[C@](C)(CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])COCc1ccccc1 ZINC001599035103 999077303 /nfs/dbraw/zinc/07/73/03/999077303.db2.gz SNMORIWWJDMECI-HXUWFJFHSA-N -1 0 388.420 3.635 20 5 GHBDRM CSc1nc(O[C@@H](C)c2ccccc2Br)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227625199 1032490223 /nfs/dbraw/zinc/49/02/23/1032490223.db2.gz SGXDKXVYNYGCHZ-ZETCQYMHSA-N -1 0 386.227 3.715 20 5 GHBDRM O=C([N-]Cc1c(F)c(F)cc(F)c1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778033320 1018062061 /nfs/dbraw/zinc/06/20/61/1018062061.db2.gz TUFXPEXIKBVLSG-UHFFFAOYSA-N -1 0 378.228 3.559 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000749142058 1021756635 /nfs/dbraw/zinc/75/66/35/1021756635.db2.gz ODSMCBDXTSMQOC-UHFFFAOYSA-N -1 0 392.433 3.633 20 5 GHBDRM Cn1ccnc1[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000754774936 1022889297 /nfs/dbraw/zinc/88/92/97/1022889297.db2.gz BRSJLSBWNNTYRQ-IBHIWXBSSA-N -1 0 378.388 3.628 20 5 GHBDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CC[C@H](OCc3ccccc3)C2)cc1[O-] ZINC001228813841 1033112841 /nfs/dbraw/zinc/11/28/41/1033112841.db2.gz GXMMJJQXFKGDLE-GJZGRUSLSA-N -1 0 387.388 3.604 20 5 GHBDRM CCCCOC[C@@H](C)OC[C@@H](C)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228860319 1033145199 /nfs/dbraw/zinc/14/51/99/1033145199.db2.gz TXFUOJZPEKPPNC-GHMZBOCLSA-N -1 0 396.362 3.703 20 5 GHBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(Br)cc1F ZINC001141646441 1026036147 /nfs/dbraw/zinc/03/61/47/1026036147.db2.gz BLXWITNOGTXIFF-QMMMGPOBSA-N -1 0 383.173 3.693 20 5 GHBDRM COC(=O)c1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1Cl ZINC001164037336 1026390809 /nfs/dbraw/zinc/39/08/09/1026390809.db2.gz GMQPTJAGEHGONL-UHFFFAOYSA-N -1 0 385.159 3.646 20 5 GHBDRM O=C(N[C@@H]1CSc2ccc(Br)cc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC001139886273 1026701796 /nfs/dbraw/zinc/70/17/96/1026701796.db2.gz PWSBFHXPTKKMHV-GFCCVEGCSA-N -1 0 395.234 3.640 20 5 GHBDRM O=C(Nc1ccccc1[C@H](O)c1ccccn1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001139956245 1026760826 /nfs/dbraw/zinc/76/08/26/1026760826.db2.gz ZZSMWBJVJFYYHA-KRWDZBQOSA-N -1 0 399.790 3.683 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC001210312687 1027443339 /nfs/dbraw/zinc/44/33/39/1027443339.db2.gz ZNWFNQPOZNOPGX-DGCLKSJQSA-N -1 0 376.837 3.634 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@H]2C[C@@H]2C2CCCCC2)c1 ZINC001210312689 1027443566 /nfs/dbraw/zinc/44/35/66/1027443566.db2.gz ZNWFNQPOZNOPGX-YPMHNXCESA-N -1 0 376.837 3.634 20 5 GHBDRM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccc(F)cc1F ZINC001210563254 1027557455 /nfs/dbraw/zinc/55/74/55/1027557455.db2.gz GXQRPEKXTXKFFR-SSDOTTSWSA-N -1 0 394.758 3.705 20 5 GHBDRM COC(=O)c1cc(Br)c([O-])c(Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC001211193165 1027833159 /nfs/dbraw/zinc/83/31/59/1027833159.db2.gz IIWXXQYHAGLSHV-UHFFFAOYSA-N -1 0 385.145 3.732 20 5 GHBDRM CCN(CC)c1ccc(-c2noc(-c3cc([O-])c(OC)cc3[N+](=O)[O-])n2)cc1 ZINC001216343763 1029609511 /nfs/dbraw/zinc/60/95/11/1029609511.db2.gz SWJHZAYZZUASHR-UHFFFAOYSA-N -1 0 384.392 3.872 20 5 GHBDRM COc1cc([N+](=O)[O-])c(-c2nc(-c3cc(Cl)c(F)cc3F)no2)cc1[O-] ZINC001216343782 1029609720 /nfs/dbraw/zinc/60/97/20/1029609720.db2.gz TUBHDBIRMLOMHW-UHFFFAOYSA-N -1 0 383.694 3.958 20 5 GHBDRM COc1cc(Br)cc(-c2noc(-c3cc([O-])ccc3[N+](=O)[O-])n2)c1 ZINC001216678393 1029727895 /nfs/dbraw/zinc/72/78/95/1029727895.db2.gz BBTRXCMUZGFSRL-UHFFFAOYSA-N -1 0 392.165 3.789 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1-c1nc(-c2ccc(Br)c(F)c2)no1 ZINC001216678371 1029728178 /nfs/dbraw/zinc/72/81/78/1029728178.db2.gz AJKXGNXLUONUEP-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM O=[N+]([O-])c1cc(-c2nc(-c3ccc(F)c(Cl)c3F)no2)c([O-])c([N+](=O)[O-])c1 ZINC001216711576 1029899809 /nfs/dbraw/zinc/89/98/09/1029899809.db2.gz BJSORQCWOSBOAL-UHFFFAOYSA-N -1 0 398.665 3.857 20 5 GHBDRM COc1cc(-c2nc(-c3cccc(OC(F)(F)F)c3)no2)cc([N+](=O)[O-])c1[O-] ZINC001216836924 1029955034 /nfs/dbraw/zinc/95/50/34/1029955034.db2.gz BTRHPVWWUWLSIE-UHFFFAOYSA-N -1 0 397.265 3.925 20 5 GHBDRM COc1ccc(-c2noc(-c3cc(OC)c([O-])c([N+](=O)[O-])c3)n2)cc1Cl ZINC001216836989 1029955550 /nfs/dbraw/zinc/95/55/50/1029955550.db2.gz FYAKWEHMGOSVTI-UHFFFAOYSA-N -1 0 377.740 3.688 20 5 GHBDRM Cc1cc(-c2noc(-c3cc([O-])c(F)cc3[N+](=O)[O-])n2)ncc1Br ZINC001216951190 1030025967 /nfs/dbraw/zinc/02/59/67/1030025967.db2.gz OYALJLYEJJUUGC-UHFFFAOYSA-N -1 0 395.144 3.622 20 5 GHBDRM Cc1cc(-c2noc(-c3c[n-]c4ccc([N+](=O)[O-])cc4c3=O)n2)cc(C)c1F ZINC001217438598 1030392373 /nfs/dbraw/zinc/39/23/73/1030392373.db2.gz PIKFXRXQVUKMNN-UHFFFAOYSA-N -1 0 380.335 3.909 20 5 GHBDRM O=c1cc(-c2nc(-c3ccc(F)c(F)c3F)no2)[n-]c2ccc([N+](=O)[O-])cc12 ZINC001217509716 1030452770 /nfs/dbraw/zinc/45/27/70/1030452770.db2.gz DCVUXEKYRRNYRM-UHFFFAOYSA-N -1 0 388.261 3.571 20 5 GHBDRM CC(C)(C)OC(=O)N1CCC2(CC[C@H]2Oc2cccc([O-])c2[N+](=O)[O-])CC1 ZINC001225624545 1031516303 /nfs/dbraw/zinc/51/63/03/1031516303.db2.gz ZHDRUUAXEKEIOI-OAHLLOKOSA-N -1 0 378.425 3.859 20 5 GHBDRM CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001153711998 1031716681 /nfs/dbraw/zinc/71/66/81/1031716681.db2.gz BYTXYMMPJWQRDI-CQSZACIVSA-N -1 0 376.359 3.987 20 5 GHBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H](C)c2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC001226019245 1031743952 /nfs/dbraw/zinc/74/39/52/1031743952.db2.gz XFEHZSZJEYPQPV-NSHDSACASA-N -1 0 383.360 3.560 20 5 GHBDRM Cc1ncc(Br)cc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001158982643 1034368412 /nfs/dbraw/zinc/36/84/12/1034368412.db2.gz NIQWXJYMTVNXNU-UHFFFAOYSA-N -1 0 386.589 3.672 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2cccc3oc(=S)[n-]c32)C1 ZINC001231066199 1034374089 /nfs/dbraw/zinc/37/40/89/1034374089.db2.gz UOVVOOHASOAGML-JTQLQIEISA-N -1 0 375.381 3.822 20 5 GHBDRM O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2CCN(Cc3ccc(Cl)cc3)C2)cc1[O-] ZINC001231222841 1034471470 /nfs/dbraw/zinc/47/14/70/1034471470.db2.gz BNDHJCASMZRCRE-ZDUSSCGKSA-N -1 0 393.783 3.515 20 5 GHBDRM CCCC[C@@H](C)Oc1c2cc(S(=O)(=O)[O-])ccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231244038 1034480776 /nfs/dbraw/zinc/48/07/76/1034480776.db2.gz YTGWBYRMGKHSBZ-SNVBAGLBSA-N -1 0 398.393 3.860 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CC1(c2ccc(F)cc2)CCCC1 ZINC001208372244 1034873777 /nfs/dbraw/zinc/87/37/77/1034873777.db2.gz DOCGANWEAGBSFD-UHFFFAOYSA-N -1 0 396.415 3.663 20 5 GHBDRM CC(C)=CCc1c([O-])cc(OC2COCOC2)c2c(=O)c3cccc(O)c3oc12 ZINC001234742315 1040267752 /nfs/dbraw/zinc/26/77/52/1040267752.db2.gz WMAOAVYMDFETRJ-UHFFFAOYSA-N -1 0 398.411 3.618 20 5 GHBDRM CCC[C@@H](CC(=O)OCC)Oc1cc(O)cc2oc3ccc(O)cc3c(=O)c12 ZINC001234744374 1040269864 /nfs/dbraw/zinc/26/98/64/1040269864.db2.gz LOBDSSOIXMSSKY-AWEZNQCLSA-N -1 0 386.400 3.858 20 5 GHBDRM Cc1cc(=O)c2c(OC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc([O-])cc2o1 ZINC001234815587 1040345039 /nfs/dbraw/zinc/34/50/39/1040345039.db2.gz WQBJYXLCXVSHIW-UHFFFAOYSA-N -1 0 396.399 3.763 20 5 GHBDRM CCCOc1ccc(-c2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])o2)cc1 ZINC001256302475 1041692512 /nfs/dbraw/zinc/69/25/12/1041692512.db2.gz SSFBFNOBJWCAIW-UHFFFAOYSA-N -1 0 386.320 3.714 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@H]1Cc1ccc(F)cc1 ZINC001291901589 1043521507 /nfs/dbraw/zinc/52/15/07/1043521507.db2.gz GNRWDWJZWTXBFV-AWEZNQCLSA-N -1 0 378.787 3.940 20 5 GHBDRM C[C@H]1CCCN(c2cc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])ccn2)C1 ZINC001295615029 1045071813 /nfs/dbraw/zinc/07/18/13/1045071813.db2.gz RGJNQHCMGDHGBO-NSHDSACASA-N -1 0 390.827 3.837 20 5 GHBDRM C[C@H]1CCC[C@@H](NC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])CC1 ZINC001296551099 1045336011 /nfs/dbraw/zinc/33/60/11/1045336011.db2.gz UPBGJAGTTKRTBJ-WCQYABFASA-N -1 0 392.843 3.838 20 5 GHBDRM CCOC(=O)c1cccc2[nH]c(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])nc21 ZINC001463316622 1070983713 /nfs/dbraw/zinc/98/37/13/1070983713.db2.gz UQTWZQUUQDAWBM-UHFFFAOYSA-N -1 0 388.767 3.554 20 5 GHBDRM C[C@H]1CCC[C@H](C)C1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001475282014 1050204183 /nfs/dbraw/zinc/20/41/83/1050204183.db2.gz LFRNMLVXEDMCHQ-UWVGGRQHSA-N -1 0 380.388 3.717 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]c(C(F)(F)F)c1 ZINC001323949797 1057042304 /nfs/dbraw/zinc/04/23/04/1057042304.db2.gz YPKNJLKXQDLADD-UHFFFAOYSA-N -1 0 383.735 3.704 20 5 GHBDRM CC[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])Oc1cccc(C)c1 ZINC001441610426 1058823807 /nfs/dbraw/zinc/82/38/07/1058823807.db2.gz FLJGZJNJYONXRA-CYBMUJFWSA-N -1 0 378.812 3.850 20 5 GHBDRM O=C(NCc1ccc(OC2CCCC2)nc1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001441674774 1058838964 /nfs/dbraw/zinc/83/89/64/1058838964.db2.gz UHYHSGCTHZIXGG-UHFFFAOYSA-N -1 0 391.811 3.600 20 5 GHBDRM CCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c(OC(F)F)c1 ZINC001445465711 1059537152 /nfs/dbraw/zinc/53/71/52/1059537152.db2.gz OUEOAEZKCQPYNV-UHFFFAOYSA-N -1 0 396.346 3.621 20 5 GHBDRM Cc1cccc(C)c1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001463397186 1064312665 /nfs/dbraw/zinc/31/26/65/1064312665.db2.gz RRSJSGOXJMHBGW-UHFFFAOYSA-N -1 0 389.260 3.997 20 5 GHBDRM Cc1ccc(-c2nn(C)cc2C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC001546162602 1067295553 /nfs/dbraw/zinc/29/55/53/1067295553.db2.gz PQQGLEONKSKOOY-UHFFFAOYSA-N -1 0 376.756 3.508 20 5 GHBDRM O=C(N[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)c1ccc([N+](=O)[O-])cc1[O-] ZINC001469348928 1068117231 /nfs/dbraw/zinc/11/72/31/1068117231.db2.gz RSSYWXPYBAVJED-HNNXBMFYSA-N -1 0 397.284 3.954 20 5 GHBDRM CCOC(=O)c1c(C2CC2)csc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001469550140 1068218130 /nfs/dbraw/zinc/21/81/30/1068218130.db2.gz RNFVVWLDBJRLFW-UHFFFAOYSA-N -1 0 376.390 3.668 20 5 GHBDRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001472546513 1073543213 /nfs/dbraw/zinc/54/32/13/1073543213.db2.gz QVNORRFQMCYTGG-UHFFFAOYSA-N -1 0 383.187 3.511 20 5 GHBDRM CC1(C)[C@@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC001475371819 1074852188 /nfs/dbraw/zinc/85/21/88/1074852188.db2.gz FRKFCMHDYYXENK-BBRMVZONSA-N -1 0 394.880 3.966 20 5 GHBDRM O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC001546205663 1074855046 /nfs/dbraw/zinc/85/50/46/1074855046.db2.gz RPFAVDWYMZUJSM-JTQLQIEISA-N -1 0 396.230 3.616 20 5 GHBDRM C[C@H](NC(=O)c1ccc(NCc2ccc3ccccc3c2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736658000 599705921 /nfs/dbraw/zinc/70/59/21/599705921.db2.gz XOAUTJBENNRAJL-ZDUSSCGKSA-N -1 0 393.399 3.563 20 5 GHBDRM Cc1nccn1-c1ccccc1CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000738895925 599841667 /nfs/dbraw/zinc/84/16/67/599841667.db2.gz ZPJTURGAZFNAQE-CLFYSBASSA-N -1 0 378.388 3.799 20 5 GHBDRM Cc1nc(-c2ccc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2)cs1 ZINC000237806534 599852772 /nfs/dbraw/zinc/85/27/72/599852772.db2.gz BLQLUDPVKJGJDG-UHFFFAOYSA-N -1 0 383.385 3.977 20 5 GHBDRM Cc1nc(COc2ccc(Nc3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])cc2)no1 ZINC000738856771 599854825 /nfs/dbraw/zinc/85/48/25/599854825.db2.gz AMIMFJTVYZZYKN-OQFOIZHKSA-N -1 0 396.359 3.707 20 5 GHBDRM O=C([O-])c1sc2ccccc2c1CNc1cc([N+](=O)[O-])ccc1NCCO ZINC000740281199 599936835 /nfs/dbraw/zinc/93/68/35/599936835.db2.gz RNGAUTVERIXOSK-UHFFFAOYSA-N -1 0 387.417 3.524 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[C@H](Cc2ccccc2)C1 ZINC000740098832 599954864 /nfs/dbraw/zinc/95/48/64/599954864.db2.gz ZTSLIGGSNGONNH-CQSZACIVSA-N -1 0 385.376 3.660 20 5 GHBDRM Cc1cc(C(=O)[O-])c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)nc2n1 ZINC000738346204 600048617 /nfs/dbraw/zinc/04/86/17/600048617.db2.gz OVWLWYWPQFMAIC-UHFFFAOYSA-N -1 0 392.780 3.512 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc(NC3CCN(C(=O)[O-])CC3)c([N+](=O)[O-])c2)cc1 ZINC000738293038 600125786 /nfs/dbraw/zinc/12/57/86/600125786.db2.gz UGSJSILRISGIOH-UHFFFAOYSA-N -1 0 398.419 3.710 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[C@H](c2ccccc2)CC1 ZINC000740095595 600126890 /nfs/dbraw/zinc/12/68/90/600126890.db2.gz JRKKBGUHHNUFRW-AWEZNQCLSA-N -1 0 385.376 3.975 20 5 GHBDRM Cc1ccc([C@H]2NC(=O)N(Cc3cccs3)C(C)=C2C(=O)[O-])cc1[N+](=O)[O-] ZINC000736751910 600206859 /nfs/dbraw/zinc/20/68/59/600206859.db2.gz UFOLPFRLIWNXER-MRXNPFEDSA-N -1 0 387.417 3.590 20 5 GHBDRM CC(C)Oc1ccc([C@H](O)CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000736492214 600214880 /nfs/dbraw/zinc/21/48/80/600214880.db2.gz WYONAOFFPUEBKW-KZIVNFMESA-N -1 0 386.404 3.625 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2cccc(Oc3nccs3)c2)cc([N+](=O)[O-])c1 ZINC000740087468 600258855 /nfs/dbraw/zinc/25/88/55/600258855.db2.gz CILXMONZXJJUEU-UHFFFAOYSA-N -1 0 385.357 3.794 20 5 GHBDRM CN(Cc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC000737485653 600283729 /nfs/dbraw/zinc/28/37/29/600283729.db2.gz ZJXHBTCBHRMKNI-UHFFFAOYSA-N -1 0 384.392 3.531 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736711400 600444899 /nfs/dbraw/zinc/44/48/99/600444899.db2.gz BDGMZOLWSLDGLN-BONVTDFDSA-N -1 0 379.365 3.584 20 5 GHBDRM O=C([O-])[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(F)cc1 ZINC000740290412 600448893 /nfs/dbraw/zinc/44/88/93/600448893.db2.gz JAERYAWQBOIHQV-OAHLLOKOSA-N -1 0 375.333 3.931 20 5 GHBDRM O=C([O-])CCCOc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000739682735 600481683 /nfs/dbraw/zinc/48/16/83/600481683.db2.gz IMXZSZYOWUKOTO-UHFFFAOYSA-N -1 0 398.371 3.515 20 5 GHBDRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000263110038 600483480 /nfs/dbraw/zinc/48/34/80/600483480.db2.gz VNLIIGMVRDCYBU-CYBMUJFWSA-N -1 0 385.376 3.716 20 5 GHBDRM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736890495 600541273 /nfs/dbraw/zinc/54/12/73/600541273.db2.gz CSSWRSSCZBAJCY-LLVKDONJSA-N -1 0 397.391 3.569 20 5 GHBDRM COC(=O)C(C)(C)c1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000831053050 600818175 /nfs/dbraw/zinc/81/81/75/600818175.db2.gz JAGAETFCDOSQCO-VZUCSPMQSA-N -1 0 384.388 3.887 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCC([C@H](O)c3ccccc3)CC2)cc1Cl ZINC000740089687 600942649 /nfs/dbraw/zinc/94/26/49/600942649.db2.gz IGDVAQFEFNGNBG-GOSISDBHSA-N -1 0 390.823 3.896 20 5 GHBDRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000833178809 601079832 /nfs/dbraw/zinc/07/98/32/601079832.db2.gz ZBVBWKPOKRPXQF-RHSMWYFYSA-N -1 0 392.477 3.569 20 5 GHBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000262555813 601295640 /nfs/dbraw/zinc/29/56/40/601295640.db2.gz YFYSUPHPRCNAJZ-IGCXYCKISA-N -1 0 388.445 3.654 20 5 GHBDRM Cn1cc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000833051764 601321265 /nfs/dbraw/zinc/32/12/65/601321265.db2.gz ITEJJFHMYXKZIE-UHFFFAOYSA-N -1 0 380.360 3.627 20 5 GHBDRM CCC[C@@H](NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1 ZINC000829223326 601373560 /nfs/dbraw/zinc/37/35/60/601373560.db2.gz PWEGHOVWBUCGQY-SUMWQHHRSA-N -1 0 386.404 3.718 20 5 GHBDRM COc1ccc(OC)c([C@@H]2CCCN2c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000832435964 601544709 /nfs/dbraw/zinc/54/47/09/601544709.db2.gz MSEZJEVOPODACI-KRWDZBQOSA-N -1 0 386.404 3.960 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000832957878 601588889 /nfs/dbraw/zinc/58/88/89/601588889.db2.gz OYVMHCFTOSOBKS-CQSZACIVSA-N -1 0 375.356 3.688 20 5 GHBDRM CC(C)(NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000826621441 601693364 /nfs/dbraw/zinc/69/33/64/601693364.db2.gz RXLGXSKNNWVSNX-UHFFFAOYSA-N -1 0 379.319 3.628 20 5 GHBDRM O=C([O-])c1c(C2CC2)csc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000833162628 601808423 /nfs/dbraw/zinc/80/84/23/601808423.db2.gz NLYFQWVAQMSBAN-UHFFFAOYSA-N -1 0 398.400 3.670 20 5 GHBDRM O=C([O-])/C=C\c1ccc(NCCc2nc(-c3ccncc3)cs2)c([N+](=O)[O-])c1 ZINC000833196537 601849437 /nfs/dbraw/zinc/84/94/37/601849437.db2.gz AHGFCZHVKDJWKW-RQOWECAXSA-N -1 0 396.428 3.866 20 5 GHBDRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000833132220 601908035 /nfs/dbraw/zinc/90/80/35/601908035.db2.gz YGIVGCXMTUBIAK-TZMCWYRMSA-N -1 0 399.241 3.511 20 5 GHBDRM C[C@@H](Oc1ccc(/C=C2\C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc32)cc1)C(=O)[O-] ZINC000827884304 602110094 /nfs/dbraw/zinc/11/00/94/602110094.db2.gz BHHKDVFORFDNFB-JHFYRWCBSA-N -1 0 388.763 3.593 20 5 GHBDRM C[C@@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1noc(-c2ccccc2)n1 ZINC000827768948 602137608 /nfs/dbraw/zinc/13/76/08/602137608.db2.gz XVNHCAQAYGDPTG-VPUINMBXSA-N -1 0 380.360 3.916 20 5 GHBDRM COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2NC(=O)[O-])c1 ZINC000739934215 602169057 /nfs/dbraw/zinc/16/90/57/602169057.db2.gz UWMIXKCZECZGOO-UHFFFAOYSA-N -1 0 399.281 3.964 20 5 GHBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1NC(=O)[O-] ZINC000739045297 602172352 /nfs/dbraw/zinc/17/23/52/602172352.db2.gz HFFHETRCAQAZTD-SECBINFHSA-N -1 0 379.756 3.744 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCCN(c3ccccc3)CC2)cc1Cl ZINC000833306999 602253617 /nfs/dbraw/zinc/25/36/17/602253617.db2.gz JAECFHKIBFCKHS-UHFFFAOYSA-N -1 0 375.812 3.663 20 5 GHBDRM Cc1cc(NCc2ccc(OCC(F)(F)F)nc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592968781 602313657 /nfs/dbraw/zinc/31/36/57/602313657.db2.gz KLNLXFDURGPRDA-UHFFFAOYSA-N -1 0 385.298 3.550 20 5 GHBDRM COc1ccccc1N1CCC(Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000576230727 602315459 /nfs/dbraw/zinc/31/54/59/602315459.db2.gz MGQCTUTYPGQMLU-UHFFFAOYSA-N -1 0 385.420 3.691 20 5 GHBDRM C[C@H](NC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000738977838 602605708 /nfs/dbraw/zinc/60/57/08/602605708.db2.gz BIKAYGMLWQTNKM-LBPRGKRZSA-N -1 0 384.392 3.908 20 5 GHBDRM O=C([O-])NCc1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000740677231 602646869 /nfs/dbraw/zinc/64/68/69/602646869.db2.gz YYCXBSPOLTUHLV-UHFFFAOYSA-N -1 0 389.795 3.609 20 5 GHBDRM C[C@H](CNC(=O)[O-])N(C)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000738935443 602998501 /nfs/dbraw/zinc/99/85/01/602998501.db2.gz YGLWZHNYRVTRSN-GFCCVEGCSA-N -1 0 388.380 3.507 20 5 GHBDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000826102808 604391479 /nfs/dbraw/zinc/39/14/79/604391479.db2.gz IXMDYBRXQALBDD-HNNXBMFYSA-N -1 0 376.796 3.830 20 5 GHBDRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833226564 604395972 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IGSGTESSCRZUNU-UHFFFAOYSA-N -1 0 381.797 3.521 20 5 GHBDRM O=C([O-])c1cc(C(=O)Nc2ccc(Br)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000833297234 604833909 /nfs/dbraw/zinc/83/39/09/604833909.db2.gz DBFBNUUXPQYKIB-UHFFFAOYSA-N -1 0 399.584 3.961 20 5 GHBDRM C[C@@H](Nc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000833524783 605036233 /nfs/dbraw/zinc/03/62/33/605036233.db2.gz IWBQIWFBBIGQJE-KZULUSFZSA-N -1 0 384.388 3.503 20 5 GHBDRM Cc1ccc(N2C(=O)N[C@H](c3ccc([N+](=O)[O-])s3)C(C(=O)[O-])=C2C)cc1F ZINC000833576920 605162027 /nfs/dbraw/zinc/16/20/27/605162027.db2.gz LYFCODCAUMQYSS-OAHLLOKOSA-N -1 0 391.380 3.733 20 5 GHBDRM O=C([O-])c1cc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc([N+](=O)[O-])c1 ZINC000409952447 605320521 /nfs/dbraw/zinc/32/05/21/605320521.db2.gz LHFZJSPGRQJMNP-CQSZACIVSA-N -1 0 392.820 3.913 20 5 GHBDRM C[C@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000833801993 605650437 /nfs/dbraw/zinc/65/04/37/605650437.db2.gz YICHAYJUZHDGKP-CQSZACIVSA-N -1 0 389.452 3.502 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O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000180771592 837517257 /nfs/dbraw/zinc/51/72/57/837517257.db2.gz CZBAODJNMSMESX-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1SC(C)C ZINC000471117348 834732721 /nfs/dbraw/zinc/73/27/21/834732721.db2.gz UUMOUCZUSLZQEI-UHFFFAOYSA-N -1 0 382.463 3.905 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000128260386 834891538 /nfs/dbraw/zinc/89/15/38/834891538.db2.gz KXDINXFVIBPNJY-INIZCTEOSA-N -1 0 394.387 3.718 20 5 GHBDRM Cc1csc(-c2cccc([N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])c2)n1 ZINC000102320987 834909152 /nfs/dbraw/zinc/90/91/52/834909152.db2.gz LYZFMKDZIABPTB-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM CC(C)c1scnc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000583956435 835292569 /nfs/dbraw/zinc/29/25/69/835292569.db2.gz ISGUWMILUITXIX-UHFFFAOYSA-N -1 0 378.435 3.524 20 5 GHBDRM Cc1[nH]nc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1-c1ccccc1 ZINC000536193537 835440252 /nfs/dbraw/zinc/44/02/52/835440252.db2.gz RNEKUQTUASTYID-UHFFFAOYSA-N -1 0 386.433 3.711 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000025146891 844074801 /nfs/dbraw/zinc/07/48/01/844074801.db2.gz QIJHNEWLRNTUAZ-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000540847454 835795698 /nfs/dbraw/zinc/79/56/98/835795698.db2.gz QTWPLGILIWYWRL-RNCFNFMXSA-N -1 0 389.795 3.801 20 5 GHBDRM O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179533526 835868297 /nfs/dbraw/zinc/86/82/97/835868297.db2.gz DIGCPCNZPVLQLN-UHFFFAOYSA-N -1 0 383.335 3.666 20 5 GHBDRM Cc1cc(C)cc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(=O)[O-])c1 ZINC000584328643 835877742 /nfs/dbraw/zinc/87/77/42/835877742.db2.gz WCLPHOXYCNXGRG-HNNXBMFYSA-N -1 0 377.784 3.812 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1NC(C)(C)C ZINC000410404165 835935970 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Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000119425192 839923525 /nfs/dbraw/zinc/92/35/25/839923525.db2.gz HSXDNSVLFUSBEJ-UHFFFAOYSA-N -1 0 379.419 3.729 20 5 GHBDRM Cc1cc(N2CCC(c3c[nH]c4ncccc34)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000580894693 840388120 /nfs/dbraw/zinc/38/81/20/840388120.db2.gz MCTNTTRGVITZAE-UHFFFAOYSA-N -1 0 380.404 3.862 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)c2ccc3ccccc3c2)ccc1[N+](=O)[O-] ZINC000175973510 840641591 /nfs/dbraw/zinc/64/15/91/840641591.db2.gz IOKOQOOWGOLAKX-CQSZACIVSA-N -1 0 398.440 3.665 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)ccc1Br ZINC000319089960 841149224 /nfs/dbraw/zinc/14/92/24/841149224.db2.gz UNCAAHRXZHWXSU-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000432210555 841192013 /nfs/dbraw/zinc/19/20/13/841192013.db2.gz ODOJJKDETOGUOU-UHFFFAOYSA-N -1 0 377.353 3.553 20 5 GHBDRM CC1CC[NH+]([C@@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c2cccs2)CC1 ZINC000566621385 841722405 /nfs/dbraw/zinc/72/24/05/841722405.db2.gz DPFPWCRHKHVLJX-HNNXBMFYSA-N -1 0 390.465 3.635 20 5 GHBDRM C[C@@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccccc1 ZINC001211672508 842093350 /nfs/dbraw/zinc/09/33/50/842093350.db2.gz YQFGXDOGOFZUCU-NSHDSACASA-N -1 0 386.832 3.859 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000432349073 842131404 /nfs/dbraw/zinc/13/14/04/842131404.db2.gz URZKAYQURHFEHE-MRXNPFEDSA-N -1 0 378.837 3.884 20 5 GHBDRM C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182006741 842178449 /nfs/dbraw/zinc/17/84/49/842178449.db2.gz IMYIWNRTSVWDJS-DIFFPNOSSA-N -1 0 376.796 3.556 20 5 GHBDRM O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432493737 842683528 /nfs/dbraw/zinc/68/35/28/842683528.db2.gz XUAWYVMYMHPTFS-CYBMUJFWSA-N -1 0 381.388 3.848 20 5 GHBDRM Cc1cc(N2CCN(Cc3cccc(Cl)c3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567980435 842912476 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COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2oc(C)c(C)c2c1 ZINC000479561414 847734498 /nfs/dbraw/zinc/73/44/98/847734498.db2.gz CZBREWNVLBCADJ-UHFFFAOYSA-N -1 0 376.390 3.767 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2)s1 ZINC000731782752 861891438 /nfs/dbraw/zinc/89/14/38/861891438.db2.gz MUIBXZXWTSFPQR-UHFFFAOYSA-N -1 0 381.479 3.838 20 5 GHBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2c3ccccc3CC23CCOCC3)n1 ZINC000583324991 849626672 /nfs/dbraw/zinc/62/66/72/849626672.db2.gz UBZAWOPCRFLWJO-QGZVFWFLSA-N -1 0 383.404 3.503 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000435139154 850124293 /nfs/dbraw/zinc/12/42/93/850124293.db2.gz CBSGUZGPACQUCP-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000435140199 850138694 /nfs/dbraw/zinc/13/86/94/850138694.db2.gz SHAZGRUMAQZVRJ-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM CC[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1OC(F)F 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NTZNOAQNHARJJC-MRXNPFEDSA-N -1 0 396.440 3.952 20 5 GHBDRM CN(Cc1ccc(Br)cc1Cl)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436581694 852089847 /nfs/dbraw/zinc/08/98/47/852089847.db2.gz GCPQOBIXUQQKQF-UHFFFAOYSA-N -1 0 399.628 3.989 20 5 GHBDRM CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000327685959 852180664 /nfs/dbraw/zinc/18/06/64/852180664.db2.gz GUICEWUDNQOXMI-UHFFFAOYSA-N -1 0 388.804 3.977 20 5 GHBDRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC000436680364 852188504 /nfs/dbraw/zinc/18/85/04/852188504.db2.gz NZZQTHXOAKJNAN-UHFFFAOYSA-N -1 0 398.293 3.696 20 5 GHBDRM C[C@H](NC(=O)c1cc(F)cc(Br)c1[O-])c1ccccc1[N+](=O)[O-] ZINC000436852318 852420940 /nfs/dbraw/zinc/42/09/40/852420940.db2.gz PAMKKNKRRVVTSJ-QMMMGPOBSA-N -1 0 383.173 3.693 20 5 GHBDRM Cc1nc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)nn1-c1ccccc1C(C)C ZINC000436863689 852427719 /nfs/dbraw/zinc/42/77/19/852427719.db2.gz LEAIDJGLUCOMJU-UHFFFAOYSA-N -1 0 381.392 3.565 20 5 GHBDRM O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436858797 852444296 /nfs/dbraw/zinc/44/42/96/852444296.db2.gz HXKCXZKPUAUWBO-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436896391 852482846 /nfs/dbraw/zinc/48/28/46/852482846.db2.gz YIPSSDASJKOMCA-UHFFFAOYSA-N -1 0 376.328 3.756 20 5 GHBDRM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436948205 852530127 /nfs/dbraw/zinc/53/01/27/852530127.db2.gz JECALCYCKRNLHO-CYBMUJFWSA-N -1 0 392.795 3.764 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000507092056 852536271 /nfs/dbraw/zinc/53/62/71/852536271.db2.gz YICJWDQWDPPTCX-UHFFFAOYSA-N -1 0 376.796 3.637 20 5 GHBDRM O=C(NCCc1nc2cc(Cl)ccc2s1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000505906866 852544328 /nfs/dbraw/zinc/54/43/28/852544328.db2.gz HBMXRXWORZHIRY-UHFFFAOYSA-N -1 0 377.809 3.536 20 5 GHBDRM O=C(Nc1ccc(Cn2cnc3ccccc32)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436954713 852545457 /nfs/dbraw/zinc/54/54/57/852545457.db2.gz AHTNLMVHEGYUCU-UHFFFAOYSA-N -1 0 388.383 3.951 20 5 GHBDRM Cc1sc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)nc1-c1c[nH]c2ncccc12 ZINC000507086312 852551839 /nfs/dbraw/zinc/55/18/39/852551839.db2.gz NNUHBBSDQBWUNU-UHFFFAOYSA-N -1 0 395.400 3.861 20 5 GHBDRM CC[C@@H](c1nnc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)s1)c1ccccc1 ZINC000506334563 852776157 /nfs/dbraw/zinc/77/61/57/852776157.db2.gz YUZQBRAFXYNBFU-OAHLLOKOSA-N -1 0 384.417 3.946 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000516974649 853216618 /nfs/dbraw/zinc/21/66/18/853216618.db2.gz ICNLUOGGLXBLBS-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000437528364 853230134 /nfs/dbraw/zinc/23/01/34/853230134.db2.gz NRURGJZKFLWYRU-YEORSEQZSA-N -1 0 380.322 3.995 20 5 GHBDRM O=C(NCC1(c2ccccc2Br)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506484511 853293730 /nfs/dbraw/zinc/29/37/30/853293730.db2.gz FUNIRNXOVRMSAG-UHFFFAOYSA-N -1 0 391.221 3.525 20 5 GHBDRM C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000571286572 853852814 /nfs/dbraw/zinc/85/28/14/853852814.db2.gz LVKRCVOUOKFWPM-BDJLRTHQSA-N -1 0 376.796 3.556 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)s2)cc1[N+](=O)[O-] ZINC000192968929 854017414 /nfs/dbraw/zinc/01/74/14/854017414.db2.gz CCPURVXGEWIAAC-UHFFFAOYSA-N -1 0 391.430 3.528 20 5 GHBDRM CCCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c(C)c1 ZINC000055687725 854054360 /nfs/dbraw/zinc/05/43/60/854054360.db2.gz LAFOXFNENFDULY-UHFFFAOYSA-N -1 0 380.422 3.501 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c(Cl)c1 ZINC000481949068 862559216 /nfs/dbraw/zinc/55/92/16/862559216.db2.gz AMYCMANQNDITRM-UHFFFAOYSA-N -1 0 392.767 3.693 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000572131061 854408440 /nfs/dbraw/zinc/40/84/40/854408440.db2.gz JKMVJBMSBOAKCH-UHFFFAOYSA-N -1 0 394.302 3.562 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000590422894 855401609 /nfs/dbraw/zinc/40/16/09/855401609.db2.gz KRUHNLFZTVJEER-UHFFFAOYSA-N -1 0 380.322 3.634 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n(-c2ccccc2)n1 ZINC000542714132 855527617 /nfs/dbraw/zinc/52/76/17/855527617.db2.gz UEWFZFOTXPUKCV-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1Br ZINC000031943320 862743865 /nfs/dbraw/zinc/74/38/65/862743865.db2.gz KGOLLVFRZQNARJ-VIFPVBQESA-N -1 0 395.209 3.563 20 5 GHBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000591563399 856153241 /nfs/dbraw/zinc/15/32/41/856153241.db2.gz DHNCAQHNFLMAFT-QWHCGFSZSA-N -1 0 392.477 3.812 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)ccc1[N+](=O)[O-] ZINC000172184113 856364700 /nfs/dbraw/zinc/36/47/00/856364700.db2.gz OWWYJAVJQBRVAD-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM COCc1cc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1 ZINC000427714977 856628707 /nfs/dbraw/zinc/62/87/07/856628707.db2.gz OCUJVKXISNVJOT-UHFFFAOYSA-N -1 0 386.404 3.989 20 5 GHBDRM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)c1 ZINC000427787831 856713415 /nfs/dbraw/zinc/71/34/15/856713415.db2.gz JSOQBTZCHSJMQS-UHFFFAOYSA-N -1 0 398.824 3.534 20 5 GHBDRM O=C([O-])c1cc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000485666322 856901614 /nfs/dbraw/zinc/90/16/14/856901614.db2.gz FQTBSAVORYUZQT-UKRRQHHQSA-N -1 0 394.305 3.598 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2CC3(CCCC3)c3c2cccc3F)cc([N+](=O)[O-])c1 ZINC000485668393 856904017 /nfs/dbraw/zinc/90/40/17/856904017.db2.gz RTDKSBYKKLBKSJ-UHFFFAOYSA-N -1 0 384.363 3.904 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ncc(-c3cccnc3)s2)cc1C ZINC000508134300 856976017 /nfs/dbraw/zinc/97/60/17/856976017.db2.gz USLZOERUJSPWTD-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM CCOc1cc(Br)c(F)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000428006674 857007238 /nfs/dbraw/zinc/00/72/38/857007238.db2.gz OOPGLZXRNFUNQZ-UHFFFAOYSA-N -1 0 399.172 3.853 20 5 GHBDRM Cc1cc(N2CCC[C@H](C(C)(C)C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592981153 857147768 /nfs/dbraw/zinc/14/77/68/857147768.db2.gz IMOPCRZWMRHQNS-HNNXBMFYSA-N -1 0 384.436 3.687 20 5 GHBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000485906891 857199772 /nfs/dbraw/zinc/19/97/72/857199772.db2.gz LRQWDDNNOFXEMF-UHFFFAOYSA-N -1 0 380.404 3.537 20 5 GHBDRM COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cc1SC ZINC000485958382 857253196 /nfs/dbraw/zinc/25/31/96/857253196.db2.gz QEIHRVVGYBKAFD-UHFFFAOYSA-N -1 0 390.417 3.893 20 5 GHBDRM C[C@H](N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1OC(F)F ZINC000486157362 857487753 /nfs/dbraw/zinc/48/77/53/857487753.db2.gz MOJVAWDADNALJL-JTQLQIEISA-N -1 0 376.319 3.841 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2OC)c([N+](=O)[O-])c1 ZINC000142067686 857820775 /nfs/dbraw/zinc/82/07/75/857820775.db2.gz DPLBHMQQQDFJNC-UHFFFAOYSA-N -1 0 394.449 3.710 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)cc1 ZINC000438993247 857947739 /nfs/dbraw/zinc/94/77/39/857947739.db2.gz WDIBMUIIUZFXQD-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)cc([N+](=O)[O-])c1 ZINC000439053790 858146583 /nfs/dbraw/zinc/14/65/83/858146583.db2.gz HJIFGUKVNPANEJ-UHFFFAOYSA-N -1 0 398.462 3.541 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cnc(C(F)(F)F)c(C)c2)c1[N+](=O)[O-] ZINC000594698531 858271770 /nfs/dbraw/zinc/27/17/70/858271770.db2.gz BYAWEZQMNMMPSU-UHFFFAOYSA-N -1 0 389.355 3.735 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000595243460 858449891 /nfs/dbraw/zinc/44/98/91/858449891.db2.gz FKGDQDGBWBHDJU-YQQAZPJKSA-N -1 0 388.464 3.998 20 5 GHBDRM Cc1cc(N2CCN([C@H](C)c3cccc(F)c3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592971840 858456861 /nfs/dbraw/zinc/45/68/61/858456861.db2.gz JVESXIMMFCCGDI-CQSZACIVSA-N -1 0 387.411 3.624 20 5 GHBDRM O=C([O-])C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CCC1 ZINC000595278206 858458624 /nfs/dbraw/zinc/45/86/24/858458624.db2.gz UTQKRZUJAZTLOY-UHFFFAOYSA-N -1 0 386.429 3.731 20 5 GHBDRM Cc1cc(N2CCC(OCc3ccc(F)cc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592976728 858465753 /nfs/dbraw/zinc/46/57/53/858465753.db2.gz PTERVGPDULVJHJ-UHFFFAOYSA-N -1 0 388.395 3.926 20 5 GHBDRM COc1ccc(Br)c(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000439151446 858537650 /nfs/dbraw/zinc/53/76/50/858537650.db2.gz KKURYTQEVARVJG-DJWKRKHSSA-N -1 0 379.166 3.630 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(N3CCCC3)cc2C)c1 ZINC000544626984 858563339 /nfs/dbraw/zinc/56/33/39/858563339.db2.gz XFSLFMIIXJHMNP-UHFFFAOYSA-N -1 0 389.477 3.921 20 5 GHBDRM CC(C)(C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000615167131 863044033 /nfs/dbraw/zinc/04/40/33/863044033.db2.gz ZOEZXHUGRTXTCX-UHFFFAOYSA-N -1 0 396.443 3.977 20 5 GHBDRM O=C([O-])[C@@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])C1CCC1 ZINC000595978501 858737286 /nfs/dbraw/zinc/73/72/86/858737286.db2.gz WLVRFGZFRBVDCA-QMMMGPOBSA-N -1 0 383.273 3.557 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)c(Cl)c1 ZINC000184966293 858760786 /nfs/dbraw/zinc/76/07/86/858760786.db2.gz UFMHHJSXOULIQL-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160417751 858897568 /nfs/dbraw/zinc/89/75/68/858897568.db2.gz JJRJETQDFUGKAB-MUUNZHRXSA-N -1 0 396.424 3.861 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)c1C ZINC000427309569 859130710 /nfs/dbraw/zinc/13/07/10/859130710.db2.gz QFLNRAJMISHIDE-UHFFFAOYSA-N -1 0 387.417 3.976 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)cc1C ZINC000060442365 859273723 /nfs/dbraw/zinc/27/37/23/859273723.db2.gz KYHAXUCJWMZSSM-UHFFFAOYSA-N -1 0 390.339 3.911 20 5 GHBDRM COc1ccc2nc([N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])sc2c1 ZINC000060436663 859273788 /nfs/dbraw/zinc/27/37/88/859273788.db2.gz BNDFEMCTQSUUBM-UHFFFAOYSA-N -1 0 393.446 3.631 20 5 GHBDRM O=C(CSc1cccc(Br)c1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000483431628 859363531 /nfs/dbraw/zinc/36/35/31/859363531.db2.gz CTSLSDJSPZQFIF-UHFFFAOYSA-N -1 0 383.223 3.794 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000483438529 859372648 /nfs/dbraw/zinc/37/26/48/859372648.db2.gz KTTYSZDHLBLBND-AWEZNQCLSA-N -1 0 384.436 3.746 20 5 GHBDRM CC[C@H](C)Oc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1 ZINC000499178806 881439006 /nfs/dbraw/zinc/43/90/06/881439006.db2.gz WXOGGDGGWONDRY-LBPRGKRZSA-N -1 0 380.422 3.587 20 5 GHBDRM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC000765054331 859754486 /nfs/dbraw/zinc/75/44/86/859754486.db2.gz MJGWEDUYOOHSNC-UHFFFAOYSA-N -1 0 393.421 3.581 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC(c2ccc(F)cn2)CC1 ZINC000602191665 859830527 /nfs/dbraw/zinc/83/05/27/859830527.db2.gz XZEKMDBOJIGGCA-UHFFFAOYSA-N -1 0 379.775 3.508 20 5 GHBDRM CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000727251612 860005476 /nfs/dbraw/zinc/00/54/76/860005476.db2.gz ZTURMBJUXOBDGP-LLVKDONJSA-N -1 0 386.861 3.853 20 5 GHBDRM CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000727251613 860005772 /nfs/dbraw/zinc/00/57/72/860005772.db2.gz ZTURMBJUXOBDGP-NSHDSACASA-N -1 0 386.861 3.853 20 5 GHBDRM C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000598253043 860177036 /nfs/dbraw/zinc/17/70/36/860177036.db2.gz BBHHARIGNLULKA-DIFFPNOSSA-N -1 0 376.796 3.556 20 5 GHBDRM C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000598254751 860178054 /nfs/dbraw/zinc/17/80/54/860178054.db2.gz ZDCFQGAWSPFMIL-DIFFPNOSSA-N -1 0 376.796 3.556 20 5 GHBDRM O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000552460403 860533343 /nfs/dbraw/zinc/53/33/43/860533343.db2.gz KLCGXKXBIQSPGG-UHFFFAOYSA-N -1 0 394.771 3.864 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000392681253 860811502 /nfs/dbraw/zinc/81/15/02/860811502.db2.gz FBVHJIVTRLTFLG-UHFFFAOYSA-N -1 0 396.730 3.773 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2CCCC[C@@H]2Cc2ccccc2F)cc([N+](=O)[O-])c1 ZINC000593702925 860929479 /nfs/dbraw/zinc/92/94/79/860929479.db2.gz UUGIGYOWRQNKHN-MRXNPFEDSA-N -1 0 386.379 3.670 20 5 GHBDRM CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593733917 861083534 /nfs/dbraw/zinc/08/35/34/861083534.db2.gz DWUDKRPIMUCAPE-IBGZPJMESA-N -1 0 394.431 4.000 20 5 GHBDRM O=C([O-])CCCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000593751801 861169491 /nfs/dbraw/zinc/16/94/91/861169491.db2.gz JOJOBLRXHHJTLB-UHFFFAOYSA-N -1 0 396.403 3.512 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000792702766 881628712 /nfs/dbraw/zinc/62/87/12/881628712.db2.gz ZLMTUPWYQRFSJA-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Oc2ccccn2)cc1 ZINC000733774664 863157689 /nfs/dbraw/zinc/15/76/89/863157689.db2.gz ZSRGVGGTTHSRKM-UHFFFAOYSA-N -1 0 389.364 3.722 20 5 GHBDRM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)c1 ZINC000444053665 863224298 /nfs/dbraw/zinc/22/42/98/863224298.db2.gz CCJQURYAYCHWCW-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM Cc1nc([C@@H](C)NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC000237509643 863317891 /nfs/dbraw/zinc/31/78/91/863317891.db2.gz FOQHSJPMUWOGLR-SNVBAGLBSA-N -1 0 391.449 3.846 20 5 GHBDRM CCCCn1ncc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1C(C)C ZINC000480228493 864301048 /nfs/dbraw/zinc/30/10/48/864301048.db2.gz ODIJMHMJODINGQ-UHFFFAOYSA-N -1 0 386.499 3.886 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2C)c([N+](=O)[O-])c1 ZINC000608875229 865779090 /nfs/dbraw/zinc/77/90/90/865779090.db2.gz JELURENRGIZNEQ-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000608955213 865856030 /nfs/dbraw/zinc/85/60/30/865856030.db2.gz XNQZJQKVQVMFPW-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n(-c2ccc(Cl)cc2)n1 ZINC000550804686 881959026 /nfs/dbraw/zinc/95/90/26/881959026.db2.gz NDMZSJASYAWFOI-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1C1CC1 ZINC000534239211 866350182 /nfs/dbraw/zinc/35/01/82/866350182.db2.gz VUACFJVWSBVYBZ-LBPRGKRZSA-N -1 0 378.454 3.749 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1n[nH]c(C)c1-c1ccccc1 ZINC000534682279 867241162 /nfs/dbraw/zinc/24/11/62/867241162.db2.gz MNPQIGHQQTXDHI-UHFFFAOYSA-N -1 0 386.433 3.657 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccccc2)cnc1C ZINC000534793041 867501295 /nfs/dbraw/zinc/50/12/95/867501295.db2.gz IATVDSJZZOQQPA-UHFFFAOYSA-N -1 0 399.428 3.775 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1OC(C)(C)C ZINC000523729141 867860343 /nfs/dbraw/zinc/86/03/43/867860343.db2.gz FJSQSEGIOQZMOE-UHFFFAOYSA-N -1 0 380.422 3.582 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc3cc(F)c(F)cc3s2)c1C ZINC000480005138 868862864 /nfs/dbraw/zinc/86/28/64/868862864.db2.gz GMSCNUNIUZSEMM-UHFFFAOYSA-N -1 0 399.400 3.900 20 5 GHBDRM CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000524297493 868863452 /nfs/dbraw/zinc/86/34/52/868863452.db2.gz AVGCRELUONVDGS-LLVKDONJSA-N -1 0 386.861 3.853 20 5 GHBDRM CC(C)([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000462347189 869267568 /nfs/dbraw/zinc/26/75/68/869267568.db2.gz NRRRUOLWVOZSOL-UHFFFAOYSA-N -1 0 396.277 3.572 20 5 GHBDRM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462336648 869270408 /nfs/dbraw/zinc/27/04/08/869270408.db2.gz BCXKZDHSESUDOF-VHSXEESVSA-N -1 0 399.321 3.854 20 5 GHBDRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c2ncccc12 ZINC000462361300 869308969 /nfs/dbraw/zinc/30/89/69/869308969.db2.gz SFFLKBNJWZGESQ-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000539613058 869445532 /nfs/dbraw/zinc/44/55/32/869445532.db2.gz JKQHUHOTRNHRDY-HNNXBMFYSA-N -1 0 376.796 3.756 20 5 GHBDRM CC1CCN(c2ccc([N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])cc2)CC1 ZINC000745823492 869845799 /nfs/dbraw/zinc/84/57/99/869845799.db2.gz UNVNLZWPFZVPFO-UHFFFAOYSA-N -1 0 393.440 3.771 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)cc1 ZINC000121671801 870090682 /nfs/dbraw/zinc/09/06/82/870090682.db2.gz FMECLMQUSFQMHQ-UHFFFAOYSA-N -1 0 389.364 3.722 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000920789169 882377069 /nfs/dbraw/zinc/37/70/69/882377069.db2.gz VIFQCENIQKSEDM-ZYHUDNBSSA-N -1 0 388.873 3.578 20 5 GHBDRM Cc1ccc(NC(=O)c2cc(Br)cc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000462897929 870323746 /nfs/dbraw/zinc/32/37/46/870323746.db2.gz RYRVMCZBPQVYEB-UHFFFAOYSA-N -1 0 379.166 3.616 20 5 GHBDRM CCCc1c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC000446976277 870795902 /nfs/dbraw/zinc/79/59/02/870795902.db2.gz GSFLPXJQOWLEJM-UHFFFAOYSA-N -1 0 380.404 3.999 20 5 GHBDRM O=C(CSc1cccc(Br)c1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000538871443 870796794 /nfs/dbraw/zinc/79/67/94/870796794.db2.gz GRAIEJHURAMVPX-UHFFFAOYSA-N -1 0 383.223 3.794 20 5 GHBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000617742454 870821574 /nfs/dbraw/zinc/82/15/74/870821574.db2.gz REDLFAYFIJGNGT-ZDUSSCGKSA-N -1 0 380.466 3.812 20 5 GHBDRM O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000463108732 870904136 /nfs/dbraw/zinc/90/41/36/870904136.db2.gz HKSNSMPMGLUMKJ-UHFFFAOYSA-N -1 0 399.186 3.560 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC(C1CC1)C1CC1 ZINC000525701541 871232585 /nfs/dbraw/zinc/23/25/85/871232585.db2.gz NBSFURFSAOWERF-UHFFFAOYSA-N -1 0 379.265 3.616 20 5 GHBDRM COc1cc(CNc2nnc(CCCc3cccs3)o2)cc([N+](=O)[O-])c1[O-] ZINC000181828705 871525501 /nfs/dbraw/zinc/52/55/01/871525501.db2.gz REISLVQGOFQCEU-UHFFFAOYSA-N -1 0 390.421 3.541 20 5 GHBDRM COc1ccc(C2(CNC(=O)c3cccc([O-])c3[N+](=O)[O-])CCCCC2)cc1 ZINC000540561372 871589864 /nfs/dbraw/zinc/58/98/64/871589864.db2.gz IFMUNAKEMZZAAM-UHFFFAOYSA-N -1 0 384.432 3.941 20 5 GHBDRM O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1cc(F)c([O-])c(Cl)c1 ZINC001169724665 871811695 /nfs/dbraw/zinc/81/16/95/871811695.db2.gz DHZBNWWYEBOWPX-UHFFFAOYSA-N -1 0 377.130 3.815 20 5 GHBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1nc(-c2cccs2)cs1 ZINC000182695590 872686357 /nfs/dbraw/zinc/68/63/57/872686357.db2.gz ZTQXFIPBTYTWHG-UHFFFAOYSA-N -1 0 395.487 3.764 20 5 GHBDRM CC[C@](NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000619543705 872724053 /nfs/dbraw/zinc/72/40/53/872724053.db2.gz FMKCNFYTHGNVMY-VBKZILBWSA-N -1 0 385.420 3.654 20 5 GHBDRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)n[nH]2)s1 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392.481 3.794 20 5 GHBDRM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000530648633 878238760 /nfs/dbraw/zinc/23/87/60/878238760.db2.gz GQYGNFWXLLPIGO-UHFFFAOYSA-N -1 0 398.824 3.618 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000788845854 878380789 /nfs/dbraw/zinc/38/07/89/878380789.db2.gz GXRJVUVVEWIIRU-UHFFFAOYSA-N -1 0 399.812 3.882 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000180159479 878577739 /nfs/dbraw/zinc/57/77/39/878577739.db2.gz KFDLMYWAZDJGQL-UHFFFAOYSA-N -1 0 399.812 3.882 20 5 GHBDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1C ZINC000790419146 879700726 /nfs/dbraw/zinc/70/07/26/879700726.db2.gz KUUVWLGMMZABCH-JTQLQIEISA-N -1 0 386.861 3.833 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000531768137 880448000 /nfs/dbraw/zinc/44/80/00/880448000.db2.gz CYIABJSKTGXYNJ-LBPRGKRZSA-N -1 0 383.429 3.930 20 5 GHBDRM 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CC(C)c1ncsc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000830172589 891137595 /nfs/dbraw/zinc/13/75/95/891137595.db2.gz FCRNPPMTFBWARG-UHFFFAOYSA-N -1 0 379.822 3.768 20 5 GHBDRM CC(C)C[C@@H]1CCCN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000825664331 891506639 /nfs/dbraw/zinc/50/66/39/891506639.db2.gz DDKQYFIAKYRPHF-ZDUSSCGKSA-N -1 0 392.843 3.790 20 5 GHBDRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000814020205 892166968 /nfs/dbraw/zinc/16/69/68/892166968.db2.gz LENQRMUTWMWBPQ-JKGDOXCYSA-N -1 0 388.445 3.595 20 5 GHBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000263278075 892505052 /nfs/dbraw/zinc/50/50/52/892505052.db2.gz WYBMPSQHFMZMMJ-INIZCTEOSA-N -1 0 388.445 3.879 20 5 GHBDRM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000428590061 892628470 /nfs/dbraw/zinc/62/84/70/892628470.db2.gz YSSCSGRYXGFYMQ-NSHDSACASA-N -1 0 392.795 3.621 20 5 GHBDRM O=C(N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1cccc([O-])c1[N+](=O)[O-] ZINC000563197205 893471147 /nfs/dbraw/zinc/47/11/47/893471147.db2.gz CGYIECDGICEKKH-STQMWFEESA-N -1 0 380.404 3.633 20 5 GHBDRM O=C(N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1cccc([O-])c1[N+](=O)[O-] ZINC000563197202 893471166 /nfs/dbraw/zinc/47/11/66/893471166.db2.gz CGYIECDGICEKKH-CHWSQXEVSA-N -1 0 380.404 3.633 20 5 GHBDRM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000563289751 893568519 /nfs/dbraw/zinc/56/85/19/893568519.db2.gz WFYLIJYFPMRJBN-UHFFFAOYSA-N -1 0 398.337 3.709 20 5 GHBDRM Cc1[nH]nc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1-c1ccccc1 ZINC000563495835 893825395 /nfs/dbraw/zinc/82/53/95/893825395.db2.gz FRBVHUTXFGKTOR-UHFFFAOYSA-N -1 0 386.433 3.711 20 5 GHBDRM CCCc1csc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC000127328620 894610136 /nfs/dbraw/zinc/61/01/36/894610136.db2.gz BSCGMLMSRDWVSH-UHFFFAOYSA-N -1 0 375.859 3.766 20 5 GHBDRM Cc1cc(NCCC2CCN(CC(F)(F)F)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565034352 895358441 /nfs/dbraw/zinc/35/84/41/895358441.db2.gz FEARFYSWHTYQCL-UHFFFAOYSA-N -1 0 389.374 3.678 20 5 GHBDRM Cc1cc(-c2ccc(F)cc2[N+](=O)[O-])ccc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000569379516 898595167 /nfs/dbraw/zinc/59/51/67/898595167.db2.gz GXGADBZTMRWHQF-AWEZNQCLSA-N -1 0 386.379 3.646 20 5 GHBDRM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000112039748 898847262 /nfs/dbraw/zinc/84/72/62/898847262.db2.gz OMSMTHCKBVBMEI-UHFFFAOYSA-N -1 0 391.449 3.689 20 5 GHBDRM COc1ccc(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3[O-])cc2)cc1 ZINC001136771869 899211818 /nfs/dbraw/zinc/21/18/18/899211818.db2.gz MMSLLJRIIGWHJR-UHFFFAOYSA-N -1 0 378.384 3.906 20 5 GHBDRM CN(CCC(C)(C)C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000844013675 900451977 /nfs/dbraw/zinc/45/19/77/900451977.db2.gz XONRXKPQKYRJBV-UHFFFAOYSA-N -1 0 380.832 3.648 20 5 GHBDRM Cc1cc(N2CCC(O)(c3ccccc3Cl)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844216857 900614570 /nfs/dbraw/zinc/61/45/70/900614570.db2.gz IISKRQYOOJBCRM-UHFFFAOYSA-N -1 0 390.823 3.743 20 5 GHBDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000773275457 904663755 /nfs/dbraw/zinc/66/37/55/904663755.db2.gz UPFAGMJBPVBENJ-UHFFFAOYSA-N -1 0 386.426 3.574 20 5 GHBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CC(C)(C)C ZINC000777318663 905983514 /nfs/dbraw/zinc/98/35/14/905983514.db2.gz RZXKVBIUHYTPLN-UHFFFAOYSA-N -1 0 388.511 3.593 20 5 GHBDRM CCc1c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cnn1-c1ccccc1Cl ZINC000192121145 907434044 /nfs/dbraw/zinc/43/40/44/907434044.db2.gz JGXINHGSGWMMBV-UHFFFAOYSA-N -1 0 386.795 3.954 20 5 GHBDRM Cn1nc(Br)c2cccc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c21 ZINC001176679029 908206515 /nfs/dbraw/zinc/20/65/15/908206515.db2.gz FOFOSRLXCSLYBB-UHFFFAOYSA-N -1 0 391.181 3.686 20 5 GHBDRM COc1cccc(C(=O)C(F)(F)F)c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176678902 908206697 /nfs/dbraw/zinc/20/66/97/908206697.db2.gz DFMFPHRGIPGDOI-UHFFFAOYSA-N -1 0 384.266 3.790 20 5 GHBDRM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC001177750111 908736605 /nfs/dbraw/zinc/73/66/05/908736605.db2.gz TZIGIKNPRUVOFT-ZDUSSCGKSA-N -1 0 380.404 3.540 20 5 GHBDRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1 ZINC000795314781 909826462 /nfs/dbraw/zinc/82/64/62/909826462.db2.gz ADBIEQWJOYORKJ-SECBINFHSA-N -1 0 388.804 3.896 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cnc1Cl ZINC000795334773 909965370 /nfs/dbraw/zinc/96/53/70/909965370.db2.gz LJAVIQMNKIXRMI-UHFFFAOYSA-N -1 0 380.184 3.545 20 5 GHBDRM Cc1cscc1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795340441 909987325 /nfs/dbraw/zinc/98/73/25/909987325.db2.gz SIJZEXUMKLEQIL-UHFFFAOYSA-N -1 0 395.231 3.667 20 5 GHBDRM CCOC(=O)c1cnc(/C=C/c2cc(Cl)ccc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC000774560705 912122123 /nfs/dbraw/zinc/12/21/23/912122123.db2.gz NIHQSYWLEMEITL-HWKANZROSA-N -1 0 376.752 3.689 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000119345278 919621764 /nfs/dbraw/zinc/62/17/64/919621764.db2.gz OFIDGNXDQJNDPM-ZDUSSCGKSA-N -1 0 376.796 3.637 20 5 GHBDRM Cc1ccc(-c2cncc(F)c2)cc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000800846455 920522915 /nfs/dbraw/zinc/52/29/15/920522915.db2.gz MONZFAPUOMJQNJ-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM CCc1ccc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000368889854 922953564 /nfs/dbraw/zinc/95/35/64/922953564.db2.gz SAPAGZFKMQZVTA-UHFFFAOYSA-N -1 0 382.416 3.875 20 5 GHBDRM O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000410371205 925580732 /nfs/dbraw/zinc/58/07/32/925580732.db2.gz FOLIPVWVLLIPHN-UHFFFAOYSA-N -1 0 396.453 3.926 20 5 GHBDRM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000133607072 926345536 /nfs/dbraw/zinc/34/55/36/926345536.db2.gz MMDKEFPOQUVQFW-CYBMUJFWSA-N -1 0 397.431 3.733 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000752192091 928673767 /nfs/dbraw/zinc/67/37/67/928673767.db2.gz RXTXRKSDCZKHNL-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM CC(C)(C)OCc1ccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000753081601 929196216 /nfs/dbraw/zinc/19/62/16/929196216.db2.gz HZYUKIBOJDPLCK-UHFFFAOYSA-N -1 0 382.413 3.850 20 5 GHBDRM C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000557118240 931219271 /nfs/dbraw/zinc/21/92/71/931219271.db2.gz MXDAXVQCIVYAJK-MRVPVSSYSA-N -1 0 399.172 3.608 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1Oc1ccncc1 ZINC000782534607 931260799 /nfs/dbraw/zinc/26/07/99/931260799.db2.gz XSNYWDJIGGNEOK-UHFFFAOYSA-N -1 0 391.430 3.953 20 5 GHBDRM COc1c(C)ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)c1C ZINC000783811580 931663359 /nfs/dbraw/zinc/66/33/59/931663359.db2.gz VUSLDVMIRLLGNP-UHFFFAOYSA-N -1 0 384.841 3.983 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2ccc(OC(C)C)nc2)c1 ZINC000783810995 931663373 /nfs/dbraw/zinc/66/33/73/931663373.db2.gz PIUNXOFKLCZBBF-UHFFFAOYSA-N -1 0 385.829 3.540 20 5 GHBDRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000784515237 931921098 /nfs/dbraw/zinc/92/10/98/931921098.db2.gz FUDLGUVLDXMWDY-ZDUSSCGKSA-N -1 0 376.434 3.539 20 5 GHBDRM CN(C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])C1CCCCC1 ZINC000798150018 932546322 /nfs/dbraw/zinc/54/63/22/932546322.db2.gz NNQGEOOUHIMMES-UHFFFAOYSA-N -1 0 378.816 3.544 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1 ZINC000798246653 932575326 /nfs/dbraw/zinc/57/53/26/932575326.db2.gz GSLFIIMQRZRYKX-UHFFFAOYSA-N -1 0 384.694 3.605 20 5 GHBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000798302539 932600464 /nfs/dbraw/zinc/60/04/64/932600464.db2.gz XZVRMAVPCXXKCE-UHFFFAOYSA-N -1 0 381.728 3.513 20 5 GHBDRM Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc([S-])ccc2F)cccc1[N+](=O)[O-] ZINC000798719224 932753214 /nfs/dbraw/zinc/75/32/14/932753214.db2.gz KGKGYXWTMOCSQB-SNVBAGLBSA-N -1 0 378.381 3.515 20 5 GHBDRM CC(C)NC(=O)Nc1ccccc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000777823560 933628817 /nfs/dbraw/zinc/62/88/17/933628817.db2.gz KVVZLSKIBPRPOJ-UHFFFAOYSA-N -1 0 392.799 3.736 20 5 GHBDRM O=C(Nc1cccc2cc(Br)cnc21)c1cccc([O-])c1[N+](=O)[O-] ZINC000561044673 933812761 /nfs/dbraw/zinc/81/27/61/933812761.db2.gz DRSZQMRTZXLXAN-UHFFFAOYSA-N -1 0 388.177 3.863 20 5 GHBDRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1C ZINC000829902541 935879706 /nfs/dbraw/zinc/87/97/06/935879706.db2.gz JBFFTBJIZFICLO-MRVPVSSYSA-N -1 0 390.824 3.664 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cn(C)nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000830043126 935893960 /nfs/dbraw/zinc/89/39/60/935893960.db2.gz JWAIBXICGDITQU-UHFFFAOYSA-N -1 0 396.444 3.624 20 5 GHBDRM C[C@H](NC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000564627496 939345313 /nfs/dbraw/zinc/34/53/13/939345313.db2.gz YUNOTHVOKXDRNN-ORAYPTAESA-N -1 0 393.399 3.934 20 5 GHBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001589656339 949820857 /nfs/dbraw/zinc/82/08/57/949820857.db2.gz XMTHLYBFWVVMAH-SWLSCSKDSA-N -1 0 380.466 3.670 20 5 GHBDRM O=C([O-])c1ccccc1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001594772124 953571391 /nfs/dbraw/zinc/57/13/91/953571391.db2.gz SSRAYKUIDCJCTJ-UHFFFAOYSA-N -1 0 383.282 3.634 20 5 GHBDRM O=C([O-])[C@H](C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC001574622385 962260120 /nfs/dbraw/zinc/26/01/20/962260120.db2.gz ZOIDRVKLWPWFIP-OAHLLOKOSA-N -1 0 390.417 3.653 20 5 GHBDRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)c3cccc([N+](=O)[O-])c3)sc2[C@H](C)O1 ZINC001603474253 973353999 /nfs/dbraw/zinc/35/39/99/973353999.db2.gz AWZGBKLKGOHVPZ-BDAKNGLRSA-N -1 0 376.390 3.629 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001604739365 973950387 /nfs/dbraw/zinc/95/03/87/973950387.db2.gz WEKJSTYXOMWTKS-SECBINFHSA-N -1 0 390.417 3.740 20 5 GHBDRM CC(C)c1nn(-c2ccccc2)cc1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001592044188 976778254 /nfs/dbraw/zinc/77/82/54/976778254.db2.gz TYNBSCAIJGWVLY-UHFFFAOYSA-N -1 0 381.392 3.609 20 5 GHBDRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000832848079 979049741 /nfs/dbraw/zinc/04/97/41/979049741.db2.gz NBGZYYUOYXFJPU-UHFFFAOYSA-N -1 0 397.156 3.755 20 5 GHBDRM C[C@@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC001592728849 979238926 /nfs/dbraw/zinc/23/89/26/979238926.db2.gz GOPXQBTTYCWEJI-FROQITRMSA-N -1 0 394.387 3.958 20 5 GHBDRM C[C@@H](Cc1ccc(Nc2ncc([N+](=O)[O-])cc2Br)cc1)C(=O)[O-] ZINC001592881887 979750369 /nfs/dbraw/zinc/75/03/69/979750369.db2.gz BGKDLHBOJKZOTP-VIFPVBQESA-N -1 0 380.198 3.759 20 5 GHBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC001595211188 979988883 /nfs/dbraw/zinc/98/88/83/979988883.db2.gz DJPDCLUQXBVAOI-QFBILLFUSA-N -1 0 384.432 3.886 20 5 GHBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(C(=O)[O-])cc1Cl ZINC001595211266 979989759 /nfs/dbraw/zinc/98/97/59/979989759.db2.gz FWOAQDFPQROYQE-NSHDSACASA-N -1 0 377.784 3.549 20 5 GHBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001595213093 980004517 /nfs/dbraw/zinc/00/45/17/980004517.db2.gz SIUKZLJXLBYWHK-DLBZAZTESA-N -1 0 376.453 3.561 20 5 GHBDRM CC[C@@](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001595263435 980267448 /nfs/dbraw/zinc/26/74/48/980267448.db2.gz MSUCSCBIPCDLSM-SFHVURJKSA-N -1 0 376.796 3.677 20 5 GHBDRM CC[C@@](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595264722 980271898 /nfs/dbraw/zinc/27/18/98/980271898.db2.gz DCVGXQYNJYFPAT-KRWDZBQOSA-N -1 0 398.749 3.646 20 5 GHBDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001594790165 981841441 /nfs/dbraw/zinc/84/14/41/981841441.db2.gz DAQXEKGEERTYMG-HXUWFJFHSA-N -1 0 376.453 3.998 20 5 GHBDRM O=C([O-])C1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 ZINC001594948997 982648092 /nfs/dbraw/zinc/64/80/92/982648092.db2.gz RJKPAWUBSRMSLK-UHFFFAOYSA-N -1 0 392.820 3.556 20 5 GHBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001595987609 983239235 /nfs/dbraw/zinc/23/92/35/983239235.db2.gz KZZPDMMIXOCPGL-MRXNPFEDSA-N -1 0 388.445 3.695 20 5 GHBDRM C/C(=C/C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001588933500 984612746 /nfs/dbraw/zinc/61/27/46/984612746.db2.gz UREQQSZMGYHIGR-SQFISAMPSA-N -1 0 382.416 3.890 20 5 GHBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001589001430 984944463 /nfs/dbraw/zinc/94/44/63/984944463.db2.gz IZYUACJCTXMORR-PKNBQFBNSA-N -1 0 375.406 3.501 20 5 GHBDRM CCO[C@H]1CCCN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001596855039 985603665 /nfs/dbraw/zinc/60/36/65/985603665.db2.gz NAEDIRJPRSXEBS-HNNXBMFYSA-N -1 0 398.415 3.529 20 5 GHBDRM Cc1c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cccc1-c1ccccn1 ZINC001599983104 986191522 /nfs/dbraw/zinc/19/15/22/986191522.db2.gz YOZJROYLJVDWHK-UHFFFAOYSA-N -1 0 377.356 3.916 20 5 GHBDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC001597025261 986431160 /nfs/dbraw/zinc/43/11/60/986431160.db2.gz IBFYIKGFWGLWQF-UHFFFAOYSA-N -1 0 388.376 3.731 20 5 GHBDRM CCS(=O)(=O)Cc1ccc(Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC001597215981 987141905 /nfs/dbraw/zinc/14/19/05/987141905.db2.gz MAWIDGFDHQZNFF-UHFFFAOYSA-N -1 0 398.824 3.625 20 5 GHBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001597272358 987319594 /nfs/dbraw/zinc/31/95/94/987319594.db2.gz AHQBUDXRIRSLOU-UHFFFAOYSA-N -1 0 381.797 3.706 20 5 GHBDRM CSc1ccc(C(=O)OC[C@@](C)(C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC001599810312 988322190 /nfs/dbraw/zinc/32/21/90/988322190.db2.gz PWRIQKAZRCJTCS-GOSISDBHSA-N -1 0 375.402 3.516 20 5 GHBDRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001597576525 988366932 /nfs/dbraw/zinc/36/69/32/988366932.db2.gz NDYFJRMTKANNPX-SNVBAGLBSA-N -1 0 392.795 3.915 20 5 GHBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001599822605 988540203 /nfs/dbraw/zinc/54/02/03/988540203.db2.gz MIVNGSLTVSGGSA-UHFFFAOYSA-N -1 0 378.431 3.817 20 5 GHBDRM COc1cccc([C@@H]2CN(c3c(Cl)cc([N+](=O)[O-])cc3C(=O)[O-])CCO2)c1 ZINC001599664365 994706092 /nfs/dbraw/zinc/70/60/92/994706092.db2.gz KRSZOBIYSLBORX-INIZCTEOSA-N -1 0 392.795 3.533 20 5 GHBDRM C[C@H](Oc1cccc2ccccc21)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001593640586 995946569 /nfs/dbraw/zinc/94/65/69/995946569.db2.gz LBCQCQFSHCWSJY-LBPRGKRZSA-N -1 0 381.340 3.819 20 5 GHBDRM C[C@@H](Sc1ccccc1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-])C(=O)[O-] ZINC001593673697 996087229 /nfs/dbraw/zinc/08/72/29/996087229.db2.gz POMXCEAXMHLREB-LLVKDONJSA-N -1 0 397.412 3.961 20 5 GHBDRM CC1(C)CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C1 ZINC001593892348 996740471 /nfs/dbraw/zinc/74/04/71/996740471.db2.gz LWEFOGOYMGYBMJ-GFCCVEGCSA-N -1 0 380.466 3.860 20 5 GHBDRM CC1(C)CCC[C@](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])(C(=O)[O-])C1 ZINC001593892510 996741449 /nfs/dbraw/zinc/74/14/49/996741449.db2.gz SRGQAQWVVFZJPX-GOSISDBHSA-N -1 0 382.844 3.721 20 5 GHBDRM COc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001599385929 996943872 /nfs/dbraw/zinc/94/38/72/996943872.db2.gz DCRVHMNJVKUTAF-CQSZACIVSA-N -1 0 399.277 3.605 20 5 GHBDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC001599396012 997126514 /nfs/dbraw/zinc/12/65/14/997126514.db2.gz GBBPXHJUVJQRLD-UVCAPFHASA-N -1 0 383.356 3.710 20 5 GHBDRM CON(Cc1ccccc1Cl)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001599319104 997549710 /nfs/dbraw/zinc/54/97/10/997549710.db2.gz ZYMKSHHXIHFQST-UHFFFAOYSA-N -1 0 393.783 3.850 20 5 GHBDRM CC(C)(C)OC(=O)N1CCC(C)(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001594030654 997598698 /nfs/dbraw/zinc/59/86/98/997598698.db2.gz XREGCPVEKHSPFH-UHFFFAOYSA-N -1 0 393.440 3.742 20 5 GHBDRM COc1c(C)cc(Cl)cc1NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599332813 997776687 /nfs/dbraw/zinc/77/66/87/997776687.db2.gz OGWZNORJMLYBQH-UHFFFAOYSA-N -1 0 380.784 3.641 20 5 GHBDRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001599542670 997871002 /nfs/dbraw/zinc/87/10/02/997871002.db2.gz KEIKNVNGUJWCBG-LUAWRHEFSA-N -1 0 385.372 3.584 20 5 GHBDRM CC1(c2ccc(Cl)cc2)CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC001594071748 997912427 /nfs/dbraw/zinc/91/24/27/997912427.db2.gz QHMDBTQSOXWJFW-UHFFFAOYSA-N -1 0 375.812 3.900 20 5 GHBDRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC001599546356 997929262 /nfs/dbraw/zinc/92/92/62/997929262.db2.gz NGNPVUVWROJKAS-YWEYNIOJSA-N -1 0 389.385 3.642 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1OCc1cc(Br)ccc1C(=O)[O-] ZINC001599461973 998288039 /nfs/dbraw/zinc/28/80/39/998288039.db2.gz LHNWZZAJPAPLPL-UHFFFAOYSA-N -1 0 382.166 3.643 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)ccc1[N+](=O)[O-] ZINC000468927937 1016232595 /nfs/dbraw/zinc/23/25/95/1016232595.db2.gz JUOBFLFCJORFEQ-UHFFFAOYSA-N -1 0 392.433 3.726 20 5 GHBDRM C[C@H]1CC[C@@](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)(C(=O)[O-])c2ccccc21 ZINC001594322206 999241219 /nfs/dbraw/zinc/24/12/19/999241219.db2.gz IWOWTIRAGFBLFK-WLRWDXFRSA-N -1 0 388.807 3.855 20 5 GHBDRM CCN(CC)C(=O)c1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1Cl ZINC000469512962 1016580023 /nfs/dbraw/zinc/58/00/23/1016580023.db2.gz ZJOBHJXFPYXSKK-UHFFFAOYSA-N -1 0 391.811 3.688 20 5 GHBDRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001155070597 1032400179 /nfs/dbraw/zinc/40/01/79/1032400179.db2.gz UQCAXMLIPMHRSZ-UHFFFAOYSA-N -1 0 390.758 3.590 20 5 GHBDRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000562355464 1018120979 /nfs/dbraw/zinc/12/09/79/1018120979.db2.gz VRWBURYRZWOLMW-CQSZACIVSA-N -1 0 383.404 3.665 20 5 GHBDRM O=C(Nc1ccccc1-c1ncc2n1CCCC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001156049213 1032855867 /nfs/dbraw/zinc/85/58/67/1032855867.db2.gz HPWLSYWHJHWBGJ-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM COc1ccccc1[C@@H](Oc1[n-]c(=O)nc2cc([N+](=O)[O-])ccc21)C(F)(F)F ZINC001228241431 1032857836 /nfs/dbraw/zinc/85/78/36/1032857836.db2.gz BBCYXGGXTMTJGA-CQSZACIVSA-N -1 0 395.293 3.935 20 5 GHBDRM CCc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cnn1CCC(C)C ZINC000755029959 1023032997 /nfs/dbraw/zinc/03/29/97/1023032997.db2.gz LEUOKYZXKGUBHF-UHFFFAOYSA-N -1 0 398.460 3.648 20 5 GHBDRM O=c1cc(C(F)(F)F)[n-]c(O[C@H]2C[C@H](OCc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228859077 1033140546 /nfs/dbraw/zinc/14/05/46/1033140546.db2.gz IKYSEGABIZUCAL-HAQNSBGRSA-N -1 0 384.310 3.841 20 5 GHBDRM O=c1cc(C(F)(F)F)[n-]c(OC[C@H]2CCC(c3ccccc3)=NO2)c1[N+](=O)[O-] ZINC001228860205 1033143448 /nfs/dbraw/zinc/14/34/48/1033143448.db2.gz QZVXFQJUAMDSOP-LLVKDONJSA-N -1 0 397.309 3.676 20 5 GHBDRM O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001138312397 1024622204 /nfs/dbraw/zinc/62/22/04/1024622204.db2.gz RGAPEHNVBDUWPH-UHFFFAOYSA-N -1 0 394.771 3.864 20 5 GHBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])C1(Cc2cccc(F)c2)CCOCC1 ZINC000837745358 1024676724 /nfs/dbraw/zinc/67/67/24/1024676724.db2.gz UXOBECRGNPNPEG-UHFFFAOYSA-N -1 0 389.379 3.522 20 5 GHBDRM O=[N+]([O-])c1cc(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)ccc1F ZINC001211193506 1027833428 /nfs/dbraw/zinc/83/34/28/1027833428.db2.gz ZEAPHGXETIFCQY-UHFFFAOYSA-N -1 0 378.337 3.583 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H]2C[C@H]2Cc2ccccc2)cc1F ZINC001213947963 1028468025 /nfs/dbraw/zinc/46/80/25/1028468025.db2.gz QJPYUADQTOFVQG-HZPDHXFCSA-N -1 0 392.452 3.590 20 5 GHBDRM COc1cc(Br)ccc1-c1noc(-c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC001215379278 1029180674 /nfs/dbraw/zinc/18/06/74/1029180674.db2.gz YAJXZICCTALGKU-UHFFFAOYSA-N -1 0 392.165 3.789 20 5 GHBDRM COc1cc([N+](=O)[O-])c(-c2nc(-c3ccc(-c4cnco4)cc3)no2)cc1[O-] ZINC001216343585 1029609884 /nfs/dbraw/zinc/60/98/84/1029609884.db2.gz LOBYYGXTBZWVJW-UHFFFAOYSA-N -1 0 380.316 3.681 20 5 GHBDRM COc1cc([N+](=O)[O-])c(-c2nc(-c3ccc4c(c3)CCCC4=O)no2)cc1[O-] ZINC001216343572 1029609947 /nfs/dbraw/zinc/60/99/47/1029609947.db2.gz KZPJKAMHDRHQIW-UHFFFAOYSA-N -1 0 381.344 3.545 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)cc3F)no2)c([O-])c1 ZINC001216556934 1029685084 /nfs/dbraw/zinc/68/50/84/1029685084.db2.gz FUPYZHAGFUCKAI-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM COc1ccc(Br)c(-c2noc(-c3cc([O-])ccc3[N+](=O)[O-])n2)c1 ZINC001216678497 1029728357 /nfs/dbraw/zinc/72/83/57/1029728357.db2.gz IBLRWHNSBOBPTF-UHFFFAOYSA-N -1 0 392.165 3.789 20 5 GHBDRM Cc1c(F)cc(-c2noc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])n2)cc1F ZINC001216711743 1029900630 /nfs/dbraw/zinc/90/06/30/1029900630.db2.gz KYDQTSBTSYEKDA-UHFFFAOYSA-N -1 0 378.247 3.512 20 5 GHBDRM Cc1cc2ccccc2nc1-c1noc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])n1 ZINC001216712983 1029901935 /nfs/dbraw/zinc/90/19/35/1029901935.db2.gz BBYAYDYYLHVZKD-UHFFFAOYSA-N -1 0 393.315 3.782 20 5 GHBDRM COc1c(Br)cccc1-c1noc(-c2ccc([O-])cc2[N+](=O)[O-])n1 ZINC001216890966 1029981975 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BIPOTKAFHYPJFS-UHFFFAOYSA-N -1 0 394.431 3.582 20 5 GHBDRM CCCSc1nc(O[C@H](C)c2ccc(OC)cc2F)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229791213 1033717519 /nfs/dbraw/zinc/71/75/19/1033717519.db2.gz HHVCXLFWVLEBNT-SECBINFHSA-N -1 0 383.401 3.880 20 5 GHBDRM CC(C)(C)OC(=O)N1CC(Oc2ccc3c(c2)oc(=O)c2cc([O-])ccc32)C1 ZINC001229791594 1033718546 /nfs/dbraw/zinc/71/85/46/1033718546.db2.gz LDZLAMJZGUWVLA-UHFFFAOYSA-N -1 0 383.400 3.650 20 5 GHBDRM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc21 ZINC001229797814 1033723412 /nfs/dbraw/zinc/72/34/12/1033723412.db2.gz OMCWAURAQKVQPO-NSHDSACASA-N -1 0 395.371 3.532 20 5 GHBDRM O=C(NC1(Cc2ccccc2Br)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC001159809058 1034749349 /nfs/dbraw/zinc/74/93/49/1034749349.db2.gz QXYJSSVAQRWCGB-UHFFFAOYSA-N -1 0 391.221 3.568 20 5 GHBDRM C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(-n2ccnc2)cc1 ZINC001161012610 1035119827 /nfs/dbraw/zinc/11/98/27/1035119827.db2.gz FJOAMSFPCSHRBZ-NSHDSACASA-N -1 0 386.795 3.631 20 5 GHBDRM COc1cc(-c2noc(Cc3ccc([O-])c([N+](=O)[O-])c3)n2)cc(C(F)(F)F)c1 ZINC001247990773 1038528331 /nfs/dbraw/zinc/52/83/31/1038528331.db2.gz XEKZDLZWVGIFAJ-UHFFFAOYSA-N -1 0 395.293 3.969 20 5 GHBDRM O=S(=O)(CCc1ccc(F)cc1)[N-]c1cccc2nc3ccccc3nc12 ZINC001259760824 1045290647 /nfs/dbraw/zinc/29/06/47/1045290647.db2.gz ASSDYRYUHWQLIZ-UHFFFAOYSA-N -1 0 381.432 3.907 20 5 GHBDRM C[C@@H]1CCC[C@H](C)[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001475282012 1050204649 /nfs/dbraw/zinc/20/46/49/1050204649.db2.gz LFRNMLVXEDMCHQ-MSRIBSCDSA-N -1 0 380.388 3.717 20 5 GHBDRM C[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001328386583 1050488963 /nfs/dbraw/zinc/48/89/63/1050488963.db2.gz QASNEIHPLSHSBV-LLVKDONJSA-N -1 0 388.873 3.660 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n(-c2cccc(C)c2)n1 ZINC001318212799 1054503729 /nfs/dbraw/zinc/50/37/29/1054503729.db2.gz JNTDHQVBBRAXMG-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM Cc1ccc(C)c(C2=NO[C@H](C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)c1 ZINC001446834614 1059877089 /nfs/dbraw/zinc/87/70/89/1059877089.db2.gz KYESGDXWERRGMT-INIZCTEOSA-N -1 0 389.795 3.702 20 5 GHBDRM O=C(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001447682578 1059997981 /nfs/dbraw/zinc/99/79/81/1059997981.db2.gz SOFYCCSYBFYHFJ-AWEZNQCLSA-N -1 0 396.428 3.872 20 5 GHBDRM O=C(NCc1cc(Cl)ccc1Br)c1cc([N+](=O)[O-])ccc1[O-] ZINC001452200906 1060913487 /nfs/dbraw/zinc/91/34/87/1060913487.db2.gz JVEQSSYFYSARLQ-UHFFFAOYSA-N -1 0 385.601 3.646 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001455265405 1062080890 /nfs/dbraw/zinc/08/08/90/1062080890.db2.gz JTISOHPOOPKEGO-HNNXBMFYSA-N -1 0 392.415 3.710 20 5 GHBDRM CC(C)n1ncc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c1Br ZINC001349544600 1063781830 /nfs/dbraw/zinc/78/18/30/1063781830.db2.gz ZMGLDUGPXCCJQR-UHFFFAOYSA-N -1 0 389.156 3.665 20 5 GHBDRM C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001466146529 1065997507 /nfs/dbraw/zinc/99/75/07/1065997507.db2.gz KLVLHVHBFXUWPB-SECBINFHSA-N -1 0 397.200 3.563 20 5 GHBDRM O=C(NCCn1c2ccccc2c2ccccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC001466322226 1066091573 /nfs/dbraw/zinc/09/15/73/1066091573.db2.gz XNDMFXZFKLYQCF-UHFFFAOYSA-N -1 0 375.384 3.838 20 5 GHBDRM CCCc1c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])[nH]c(C)c1C(=O)OC ZINC001466408660 1066137274 /nfs/dbraw/zinc/13/72/74/1066137274.db2.gz BUJQDYYJIGJCOP-UHFFFAOYSA-N -1 0 395.799 3.582 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(NC(=O)C2CC2)s1 ZINC001466408784 1066137311 /nfs/dbraw/zinc/13/73/11/1066137311.db2.gz HMBRUGDSAWYNLW-UHFFFAOYSA-N -1 0 381.797 3.616 20 5 GHBDRM COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c(Br)c1 ZINC001466512626 1066176565 /nfs/dbraw/zinc/17/65/65/1066176565.db2.gz XCOBENPVVJPYRN-VIFPVBQESA-N -1 0 395.209 3.563 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)ccc1[O-] ZINC000024101210 207287928 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ZINC000825397067 604444525 /nfs/dbraw/zinc/44/45/25/604444525.db2.gz GHHRLWSEQZPOKZ-JTQLQIEISA-N -1 0 377.784 3.507 20 5 GHBDRM C[C@@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000827658764 604468757 /nfs/dbraw/zinc/46/87/57/604468757.db2.gz JUSUMMORJMFURS-DYVFJYSZSA-N -1 0 385.420 3.807 20 5 GHBDRM CC(C)(NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000826621502 604524210 /nfs/dbraw/zinc/52/42/10/604524210.db2.gz YFBQJIVBFFLDLQ-QGZVFWFLSA-N -1 0 399.447 3.981 20 5 GHBDRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000825397625 604575727 /nfs/dbraw/zinc/57/57/27/604575727.db2.gz NNIYUKLWIPCOSV-JTQLQIEISA-N -1 0 377.784 3.507 20 5 GHBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1ccc(C(=O)[O-])cc1F ZINC000833538006 604701209 /nfs/dbraw/zinc/70/12/09/604701209.db2.gz AEJURNDRQJLOBG-SECBINFHSA-N -1 0 397.742 3.596 20 5 GHBDRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000833410929 604877585 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COc1ccccc1[C@@H](CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)OC(C)C ZINC000472456265 836561993 /nfs/dbraw/zinc/56/19/93/836561993.db2.gz SCASDEWAVOXGBJ-GOSISDBHSA-N -1 0 398.419 3.654 20 5 GHBDRM CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000032630212 836709104 /nfs/dbraw/zinc/70/91/04/836709104.db2.gz BAYRXGDHAJZAGP-UHFFFAOYSA-N -1 0 380.422 3.583 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1ccc(Cl)o1 ZINC000610259534 836792221 /nfs/dbraw/zinc/79/22/21/836792221.db2.gz SPXSQHQKKNWPND-UHFFFAOYSA-N -1 0 385.612 3.627 20 5 GHBDRM CC1(C)Cc2ccc(Cl)c(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])c2O1 ZINC000430374576 836857862 /nfs/dbraw/zinc/85/78/62/836857862.db2.gz XHHLSNWSVPQHJZ-UHFFFAOYSA-N -1 0 396.852 3.904 20 5 GHBDRM O=C([O-])/C=C/c1ccc(NCc2ccc(Cn3cccn3)cc2)c([N+](=O)[O-])c1 ZINC000013240869 837044786 /nfs/dbraw/zinc/04/47/86/837044786.db2.gz UZNXXVWMIRITSS-VQHVLOKHSA-N -1 0 378.388 3.550 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)c1C ZINC000024430030 838087288 /nfs/dbraw/zinc/08/72/88/838087288.db2.gz VRYYYGAWAPYFSL-UHFFFAOYSA-N -1 0 390.339 3.911 20 5 GHBDRM CCCc1csc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000414444296 838255645 /nfs/dbraw/zinc/25/56/45/838255645.db2.gz PKNQTFFPHGYPAC-UHFFFAOYSA-N -1 0 395.384 3.823 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)NC2(C(=O)[O-])CCCC2)cc1[N+](=O)[O-] ZINC000579989097 838286080 /nfs/dbraw/zinc/28/60/80/838286080.db2.gz UVXODUALWANUDF-UHFFFAOYSA-N -1 0 380.466 3.860 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000134062445 838288439 /nfs/dbraw/zinc/28/84/39/838288439.db2.gz LUJRGVYMSHIUGF-UHFFFAOYSA-N -1 0 385.785 3.574 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000122841257 838390517 /nfs/dbraw/zinc/39/05/17/838390517.db2.gz QHQNJMDGZLGFIB-CYBMUJFWSA-N -1 0 376.796 3.637 20 5 GHBDRM C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000580332967 839294876 /nfs/dbraw/zinc/29/48/76/839294876.db2.gz KVEORMSSCPETJL-SECBINFHSA-N -1 0 397.200 3.563 20 5 GHBDRM Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000052507946 844426369 /nfs/dbraw/zinc/42/63/69/844426369.db2.gz ROYBAYRLQHAPSB-BQYQJAHWSA-N -1 0 382.351 3.800 20 5 GHBDRM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000473439739 844445556 /nfs/dbraw/zinc/44/55/56/844445556.db2.gz YNODTJKLYIRVLK-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000064938252 839572256 /nfs/dbraw/zinc/57/22/56/839572256.db2.gz YYVRTWKPWRJHRA-UHFFFAOYSA-N -1 0 376.434 3.631 20 5 GHBDRM Cc1ccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(Br)c1 ZINC000537768086 840271819 /nfs/dbraw/zinc/27/18/19/840271819.db2.gz NTFVLRMTNVAJSX-SNVBAGLBSA-N -1 0 395.209 3.777 20 5 GHBDRM O=C([O-])c1cc(C(=O)Nc2ccc(Oc3ccncc3)cc2)cc([N+](=O)[O-])c1 ZINC000432091516 840680224 /nfs/dbraw/zinc/68/02/24/840680224.db2.gz FYNBFWZZARBLII-UHFFFAOYSA-N -1 0 379.328 3.733 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000125208354 841361720 /nfs/dbraw/zinc/36/17/20/841361720.db2.gz NQPFBLQKVOTTFP-UHFFFAOYSA-N -1 0 381.168 3.547 20 5 GHBDRM O=C(N[C@@H](c1ccccc1)C1(CO)CCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001143509196 841495625 /nfs/dbraw/zinc/49/56/25/841495625.db2.gz HLOJQPFKQBBPQS-KRWDZBQOSA-N -1 0 390.823 3.588 20 5 GHBDRM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000045939478 841874775 /nfs/dbraw/zinc/87/47/75/841874775.db2.gz HKVATJWQJWRVHP-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM O=C([O-])Cc1ccc(NCCCc2nc3c(s2)CCCC3)c([N+](=O)[O-])c1 ZINC000567979203 842909798 /nfs/dbraw/zinc/90/97/98/842909798.db2.gz CKUPZHLFBPYSRM-UHFFFAOYSA-N -1 0 375.450 3.602 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC([C@H](F)c3ccccc3F)CC2)n1 ZINC000567984309 842923658 /nfs/dbraw/zinc/92/36/58/842923658.db2.gz IDMFDNLJMBYUMG-INIZCTEOSA-N -1 0 377.347 3.754 20 5 GHBDRM O=C(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432613966 843298786 /nfs/dbraw/zinc/29/87/86/843298786.db2.gz DDLQCKXQNKGXMM-INIZCTEOSA-N -1 0 396.428 3.872 20 5 GHBDRM C[C@@H](c1ccccc1Br)N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181871703 843334593 /nfs/dbraw/zinc/33/45/93/843334593.db2.gz KMTVOFZNWFPCAV-JTQLQIEISA-N -1 0 379.210 3.896 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c(Br)c1 ZINC000432640259 843336968 /nfs/dbraw/zinc/33/69/68/843336968.db2.gz DSPRJOLPHMMIQV-UHFFFAOYSA-N -1 0 396.222 3.639 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(COC(C)(C)C)cc1 ZINC000610647613 843354870 /nfs/dbraw/zinc/35/48/70/843354870.db2.gz JHAAUCIPXMADED-UHFFFAOYSA-N -1 0 394.449 3.719 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(C3(C)CCCC3)on2)c1C ZINC000432966945 844764733 /nfs/dbraw/zinc/76/47/33/844764733.db2.gz VYLHKAVBQDBUHL-UHFFFAOYSA-N -1 0 379.438 3.832 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2Cc3ccccc3-c3ccccc32)ccc1[O-] ZINC000603980364 861499504 /nfs/dbraw/zinc/49/95/04/861499504.db2.gz OIGXICCZSVBLJF-UHFFFAOYSA-N -1 0 382.397 3.676 20 5 GHBDRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000603975791 861523996 /nfs/dbraw/zinc/52/39/96/861523996.db2.gz OLAPHZANWGRZLT-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM CC(C)(C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000548518829 845286914 /nfs/dbraw/zinc/28/69/14/845286914.db2.gz VMJMETNSAAABRD-UHFFFAOYSA-N -1 0 379.210 3.979 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(-c2ccccc2F)on1 ZINC000433159460 845545364 /nfs/dbraw/zinc/54/53/64/845545364.db2.gz DOVBFRYGXXHMPE-UHFFFAOYSA-N -1 0 397.771 3.843 20 5 GHBDRM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000263022343 845611109 /nfs/dbraw/zinc/61/11/09/845611109.db2.gz NXDFISWACCUTCD-LJQANCHMSA-N -1 0 388.345 3.867 20 5 GHBDRM CC(C)c1ccc(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000263146138 845890852 /nfs/dbraw/zinc/89/08/52/845890852.db2.gz UMOBWTIZCFURJY-ZDUSSCGKSA-N -1 0 386.404 3.673 20 5 GHBDRM CC(C)c1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263518763 846268183 /nfs/dbraw/zinc/26/81/83/846268183.db2.gz FZWTUGZTCVIISJ-ZWKOTPCHSA-N -1 0 382.416 3.659 20 5 GHBDRM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000063181206 846549156 /nfs/dbraw/zinc/54/91/56/846549156.db2.gz NHBKGNZSEYEFPX-UHFFFAOYSA-N -1 0 391.449 3.751 20 5 GHBDRM O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000183443318 847497184 /nfs/dbraw/zinc/49/71/84/847497184.db2.gz LREKUTXXDIXSPJ-UHFFFAOYSA-N -1 0 383.404 3.569 20 5 GHBDRM COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc([N+](=O)[O-])c1[O-] ZINC000024102836 848056481 /nfs/dbraw/zinc/05/64/81/848056481.db2.gz PUPNODVSKPPWSL-IBGZPJMESA-N -1 0 395.371 3.669 20 5 GHBDRM Cc1ccc(N2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)c(C)c1 ZINC001167632444 848611794 /nfs/dbraw/zinc/61/17/94/848611794.db2.gz CHQOCYWDVAMGKC-UHFFFAOYSA-N -1 0 389.839 3.533 20 5 GHBDRM O=C(NCc1ccc(COCc2ccccc2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000122012333 848806032 /nfs/dbraw/zinc/80/60/32/848806032.db2.gz LQFHGQSYMFDVCH-UHFFFAOYSA-N -1 0 392.411 3.947 20 5 GHBDRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000555853837 862007169 /nfs/dbraw/zinc/00/71/69/862007169.db2.gz ZMSAFNXXZQGHBE-AWEZNQCLSA-N -1 0 381.747 3.643 20 5 GHBDRM O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000367124757 862023766 /nfs/dbraw/zinc/02/37/66/862023766.db2.gz ADEPSHRFSRHXCY-LJQANCHMSA-N -1 0 388.383 3.696 20 5 GHBDRM O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3cccc(Cl)c3F)sc2c1 ZINC000430073503 849825015 /nfs/dbraw/zinc/82/50/15/849825015.db2.gz YTFMIECXPSLXFY-UHFFFAOYSA-N -1 0 387.801 3.798 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(N2CCC(C)CC2)cc1 ZINC000108385892 849909745 /nfs/dbraw/zinc/90/97/45/849909745.db2.gz ARLVJQHBBORNGW-UHFFFAOYSA-N -1 0 389.477 3.940 20 5 GHBDRM Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000435139958 850139935 /nfs/dbraw/zinc/13/99/35/850139935.db2.gz QYGIPCARDZSUSM-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000435582616 850670467 /nfs/dbraw/zinc/67/04/67/850670467.db2.gz FNACVCTVKZQHSK-AULYBMBSSA-N -1 0 384.816 3.612 20 5 GHBDRM COc1cc([C@H](C)NC(=O)c2cc([O-])ccc2[N+](=O)[O-])ccc1OCC(C)C ZINC000505308245 850818221 /nfs/dbraw/zinc/81/82/21/850818221.db2.gz OGGPWXQXBKWOQA-ZDUSSCGKSA-N -1 0 388.420 3.835 20 5 GHBDRM CSc1ccc(-c2nsc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)n2)cc1 ZINC000506764932 850839976 /nfs/dbraw/zinc/83/99/76/850839976.db2.gz WCZVBVWQCHUWEO-UHFFFAOYSA-N -1 0 388.430 3.793 20 5 GHBDRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000515630185 851270207 /nfs/dbraw/zinc/27/02/07/851270207.db2.gz UWQAYAJOHMLSGT-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM COc1ccc([C@H](C)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1Br ZINC000505463649 851451174 /nfs/dbraw/zinc/45/11/74/851451174.db2.gz DGKZWIWRZARGKY-VIFPVBQESA-N -1 0 395.209 3.563 20 5 GHBDRM Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])nc1-c1c[nH]c2ncccc12 ZINC000436531861 852022265 /nfs/dbraw/zinc/02/22/65/852022265.db2.gz QBSPMUXGRUQEGB-UHFFFAOYSA-N -1 0 395.400 3.861 20 5 GHBDRM Cc1nc(-c2ccc(NS(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2)cs1 ZINC000028809844 852099502 /nfs/dbraw/zinc/09/95/02/852099502.db2.gz WVAAMISPGNTKKM-UHFFFAOYSA-N -1 0 391.430 3.533 20 5 GHBDRM O=C(NCCOc1ccccc1-c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436634145 852129706 /nfs/dbraw/zinc/12/97/06/852129706.db2.gz NXFMQZHNQPEEMW-UHFFFAOYSA-N -1 0 378.384 3.776 20 5 GHBDRM CCOc1cc(CN(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1OC(F)F ZINC000436637143 852132868 /nfs/dbraw/zinc/13/28/68/852132868.db2.gz YZCWWHOBHUTOCC-UHFFFAOYSA-N -1 0 396.346 3.573 20 5 GHBDRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000436649927 852139566 /nfs/dbraw/zinc/13/95/66/852139566.db2.gz YAYFWJBEYLNFSQ-UHFFFAOYSA-N 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O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000436817877 852357981 /nfs/dbraw/zinc/35/79/81/852357981.db2.gz JCQYHTMKTBXIFM-UHFFFAOYSA-N -1 0 396.230 3.570 20 5 GHBDRM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436829436 852379384 /nfs/dbraw/zinc/37/93/84/852379384.db2.gz AQZSYTSYNAMTSC-NSHDSACASA-N -1 0 392.795 3.621 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)c(C)n2)cc1[N+](=O)[O-] ZINC000517791284 852414025 /nfs/dbraw/zinc/41/40/25/852414025.db2.gz DWCKHAMYPDSOOS-UHFFFAOYSA-N -1 0 399.428 3.775 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000436847814 852413982 /nfs/dbraw/zinc/41/39/82/852413982.db2.gz RKIVRRBXNGVFSE-AWEZNQCLSA-N -1 0 378.837 3.961 20 5 GHBDRM CCc1nc(-c2ccc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])cc2)n[nH]1 ZINC000436877313 852442144 /nfs/dbraw/zinc/44/21/44/852442144.db2.gz FZMZLSMVNXKVTA-UHFFFAOYSA-N -1 0 387.783 3.554 20 5 GHBDRM CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])n2)cc1 ZINC000436887672 852461312 /nfs/dbraw/zinc/46/13/12/852461312.db2.gz XYMIBOKCOKEZKD-UHFFFAOYSA-N -1 0 398.400 3.635 20 5 GHBDRM COc1ccc(Oc2ccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cn2)cc1 ZINC000436963655 852535273 /nfs/dbraw/zinc/53/52/73/852535273.db2.gz DZKLNAJHGWLLIV-UHFFFAOYSA-N -1 0 381.344 3.749 20 5 GHBDRM O=C(C[C@@H]1CCCCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000436964134 852535319 /nfs/dbraw/zinc/53/53/19/852535319.db2.gz REPSNWHULGXTTK-KRWDZBQOSA-N -1 0 382.416 3.958 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000436954954 852545433 /nfs/dbraw/zinc/54/54/33/852545433.db2.gz JDXOXYHLSYVUBI-LLVKDONJSA-N -1 0 378.787 3.940 20 5 GHBDRM C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436957886 852548297 /nfs/dbraw/zinc/54/82/97/852548297.db2.gz BTUYITYLGRWEJU-SNVBAGLBSA-N -1 0 391.221 3.650 20 5 GHBDRM C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436975730 852562369 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Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000588942667 854607215 /nfs/dbraw/zinc/60/72/15/854607215.db2.gz CJSNFJMEVMVOHI-UHFFFAOYSA-N -1 0 394.302 3.742 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)s3)[nH]n2)cc1 ZINC000536307931 854723039 /nfs/dbraw/zinc/72/30/39/854723039.db2.gz SBMOPRXFDUCZRO-UHFFFAOYSA-N -1 0 384.826 3.501 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)c1 ZINC000589558113 855025465 /nfs/dbraw/zinc/02/54/65/855025465.db2.gz ZJIRPTBNFNOCML-UHFFFAOYSA-N -1 0 389.355 3.735 20 5 GHBDRM Cc1cc(S(=O)(=O)Nc2ccccc2Br)c(F)cc1[N+](=O)[O-] ZINC000590597533 855504405 /nfs/dbraw/zinc/50/44/05/855504405.db2.gz LESRBGLIDXLLNL-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000590701224 855552506 /nfs/dbraw/zinc/55/25/06/855552506.db2.gz OVFAEGGOADDTEN-KRWDZBQOSA-N -1 0 386.404 3.673 20 5 GHBDRM CCC[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)C(=O)[O-] ZINC000590851905 855615228 /nfs/dbraw/zinc/61/52/28/855615228.db2.gz SQQDYRINTZJPNS-LBPRGKRZSA-N -1 0 380.466 3.860 20 5 GHBDRM CC(C)(NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000485382249 856438654 /nfs/dbraw/zinc/43/86/54/856438654.db2.gz KYEYEBPEMQUQBH-UHFFFAOYSA-N -1 0 378.768 3.634 20 5 GHBDRM CSCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1 ZINC000184845198 856623401 /nfs/dbraw/zinc/62/34/01/856623401.db2.gz AIHYVPKFMXRLNS-UHFFFAOYSA-N -1 0 389.458 3.807 20 5 GHBDRM Cc1ccc(Cl)c2sc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])nc21 ZINC000508082995 856877539 /nfs/dbraw/zinc/87/75/39/856877539.db2.gz JGIINSFDDLJNFQ-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc(N[C@@H]3CC[C@H](C(=O)[O-])C3)c([N+](=O)[O-])c2)cc1 ZINC000592421646 857385713 /nfs/dbraw/zinc/38/57/13/857385713.db2.gz XXCMMGPWXPRSQH-GOEBONIOSA-N -1 0 383.404 3.821 20 5 GHBDRM Cc1cccc(NC2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)c1 ZINC000592768278 858225306 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COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000466470322 859650580 /nfs/dbraw/zinc/65/05/80/859650580.db2.gz IYFWSVSQPPQSIP-UHFFFAOYSA-N -1 0 392.433 3.614 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000611534663 859799080 /nfs/dbraw/zinc/79/90/80/859799080.db2.gz AUPNYSQIWNYPFJ-YUMQZZPRSA-N -1 0 386.248 3.503 20 5 GHBDRM CC(C)CNC(=O)c1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl ZINC000185366647 859975590 /nfs/dbraw/zinc/97/55/90/859975590.db2.gz YVOPTTJTZIVSOT-UHFFFAOYSA-N -1 0 391.811 3.592 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)c(Cl)c1 ZINC000474426474 860061762 /nfs/dbraw/zinc/06/17/62/860061762.db2.gz KYYAPBSKXICHLS-UHFFFAOYSA-N -1 0 384.845 3.820 20 5 GHBDRM C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000598253315 860177051 /nfs/dbraw/zinc/17/70/51/860177051.db2.gz HXPGEEPUGCRCRF-DIFFPNOSSA-N -1 0 376.796 3.556 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000060934647 860359094 /nfs/dbraw/zinc/35/90/94/860359094.db2.gz WFROEZXZISHKKC-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000124955641 860541596 /nfs/dbraw/zinc/54/15/96/860541596.db2.gz IVLJCPZXUFLWRU-UHFFFAOYSA-N -1 0 382.376 3.900 20 5 GHBDRM CC(C)c1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000185621353 860796552 /nfs/dbraw/zinc/79/65/52/860796552.db2.gz NOAHIXXNTZVXSP-UHFFFAOYSA-N -1 0 378.435 3.524 20 5 GHBDRM Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000126062530 860927415 /nfs/dbraw/zinc/92/74/15/860927415.db2.gz MKZDGLRRDJVFLB-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccc(Oc2ccccn2)c1 ZINC000174771826 881607412 /nfs/dbraw/zinc/60/74/12/881607412.db2.gz SRPCFRNKYVRELU-UHFFFAOYSA-N -1 0 389.364 3.722 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000593732921 861077505 /nfs/dbraw/zinc/07/75/05/861077505.db2.gz ROXKTVAJDNCDNA-KRWDZBQOSA-N -1 0 376.796 3.520 20 5 GHBDRM O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000159879007 863115470 /nfs/dbraw/zinc/11/54/70/863115470.db2.gz DCOHNLKSTCZUTQ-UHFFFAOYSA-N -1 0 393.403 3.538 20 5 GHBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1cccc(OCc2ccccn2)c1 ZINC000160071787 863294203 /nfs/dbraw/zinc/29/42/03/863294203.db2.gz REVXCPOBLPMQEG-CQSZACIVSA-N -1 0 393.399 3.765 20 5 GHBDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C(C)C ZINC000480219219 864284409 /nfs/dbraw/zinc/28/44/09/864284409.db2.gz CWCLCIYRLYFBIV-UHFFFAOYSA-N -1 0 380.470 3.824 20 5 GHBDRM CCCCn1ncc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1C(C)C ZINC000480225406 864294288 /nfs/dbraw/zinc/29/42/88/864294288.db2.gz KIDNOGIAXGBHLP-UHFFFAOYSA-N -1 0 396.469 3.524 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)c1[N+](=O)[O-] ZINC000480247603 864351159 /nfs/dbraw/zinc/35/11/59/864351159.db2.gz 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C[C@H](Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC000191393045 884921790 /nfs/dbraw/zinc/92/17/90/884921790.db2.gz BJNLHGGHXAIVRL-CQSZACIVSA-N -1 0 397.431 3.711 20 5 GHBDRM Cc1nc([C@@H](C)NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC000263542360 885156501 /nfs/dbraw/zinc/15/65/01/885156501.db2.gz RPNARUMSRPDJBZ-SNVBAGLBSA-N -1 0 377.422 3.672 20 5 GHBDRM CCOc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000532610528 886420642 /nfs/dbraw/zinc/42/06/42/886420642.db2.gz ZVMVNNYKIHZGLO-UHFFFAOYSA-N -1 0 390.339 3.813 20 5 GHBDRM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000863470916 887135750 /nfs/dbraw/zinc/13/57/50/887135750.db2.gz QUJZAVRTTDVLGZ-UHFFFAOYSA-N -1 0 387.392 3.924 20 5 GHBDRM O=C([O-])C[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c2ccccc21 ZINC000864227623 887645765 /nfs/dbraw/zinc/64/57/65/887645765.db2.gz GWGDNCLEOPAQQZ-CQSZACIVSA-N -1 0 380.400 3.622 20 5 GHBDRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000864227195 887646043 /nfs/dbraw/zinc/64/60/43/887646043.db2.gz AVZDESNKOYOCGS-GUYCJALGSA-N -1 0 388.445 3.716 20 5 GHBDRM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809831602 887850392 /nfs/dbraw/zinc/85/03/92/887850392.db2.gz GUJRPAQKFWQDFO-YFKPBYRVSA-N -1 0 381.159 3.521 20 5 GHBDRM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000120215564 887989489 /nfs/dbraw/zinc/98/94/89/887989489.db2.gz YAIVJFVWAREPCI-UHFFFAOYSA-N -1 0 387.298 3.715 20 5 GHBDRM Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000163460969 890782576 /nfs/dbraw/zinc/78/25/76/890782576.db2.gz WBIJNIHUNBXCHT-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000263519939 892586539 /nfs/dbraw/zinc/58/65/39/892586539.db2.gz GSAUNEHFSJFBBN-UHFFFAOYSA-N -1 0 388.807 3.966 20 5 GHBDRM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000815049134 893367514 /nfs/dbraw/zinc/36/75/14/893367514.db2.gz YBRONAXVBLHPFZ-ZDUSSCGKSA-N -1 0 394.758 3.672 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000563192618 893465114 /nfs/dbraw/zinc/46/51/14/893465114.db2.gz DTSVLZHEKUAYIV-IBGZPJMESA-N -1 0 388.807 3.564 20 5 GHBDRM Cc1n[nH]c2cc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)ccc12 ZINC000536699587 893571484 /nfs/dbraw/zinc/57/14/84/893571484.db2.gz HXLZOQCANUMROI-UHFFFAOYSA-N -1 0 380.813 3.542 20 5 GHBDRM O=C(OCCc1cc2cc(Br)ccc2o1)c1ccc([N+](=O)[O-])[n-]1 ZINC000918526619 893850354 /nfs/dbraw/zinc/85/03/54/893850354.db2.gz OAJBNWVZURKIKQ-UHFFFAOYSA-N -1 0 379.166 3.831 20 5 GHBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(C(F)(F)F)nc1Cl ZINC000816762354 895054051 /nfs/dbraw/zinc/05/40/51/895054051.db2.gz XDZFOLMHTGIUNN-SSDOTTSWSA-N -1 0 389.717 3.859 20 5 GHBDRM CCOc1cccc(N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)c1[N+](=O)[O-] ZINC000565040204 895364171 /nfs/dbraw/zinc/36/41/71/895364171.db2.gz GIZYEAYUVINWJM-UHFFFAOYSA-N -1 0 385.420 3.773 20 5 GHBDRM O=C([O-])/C=C/c1ccc(NCCc2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000818296882 896105766 /nfs/dbraw/zinc/10/57/66/896105766.db2.gz VGSMPLWUEANCSY-VQHVLOKHSA-N -1 0 378.388 3.533 20 5 GHBDRM O=C(NC1(c2ccc(Br)cc2)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001136490045 898061507 /nfs/dbraw/zinc/06/15/07/898061507.db2.gz NYURCNAPEHOGFZ-UHFFFAOYSA-N -1 0 391.221 3.872 20 5 GHBDRM Cc1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])c([O-])c3)NC2=S)cc1Cl ZINC000133153535 898163609 /nfs/dbraw/zinc/16/36/09/898163609.db2.gz FEKIBTMTTCACQS-MLPAPPSSSA-N -1 0 389.820 3.524 20 5 GHBDRM CCCc1c([N-]c2nc3ccccn3c2[N+](=O)[O-])cnn1-c1cc(C)ccn1 ZINC001186053360 914285219 /nfs/dbraw/zinc/28/52/19/914285219.db2.gz CECGIKXZYQKOLK-UHFFFAOYSA-N -1 0 377.408 3.828 20 5 GHBDRM CCc1nc2cc(CNc3ncc(C(=O)[O-])cc3[N+](=O)[O-])ccc2n1C1CC1 ZINC000569813899 898966370 /nfs/dbraw/zinc/96/63/70/898966370.db2.gz OTFJPRHSZIAWTD-UHFFFAOYSA-N -1 0 381.392 3.547 20 5 GHBDRM Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4ccc([O-])c([N+](=O)[O-])c4)C3)nc2c1 ZINC000119335083 899592390 /nfs/dbraw/zinc/59/23/90/899592390.db2.gz VFSPCCPDSKHTHU-CQSZACIVSA-N -1 0 380.404 3.505 20 5 GHBDRM CCC(=O)c1ccc(N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)c([N+](=O)[O-])c1 ZINC000844218712 900585715 /nfs/dbraw/zinc/58/57/15/900585715.db2.gz NFFVFLBJPBDFES-UHFFFAOYSA-N -1 0 397.431 3.967 20 5 GHBDRM O=C([O-])Cc1ccc(N2CCC[C@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])c1 ZINC000844206850 900598623 /nfs/dbraw/zinc/59/86/23/900598623.db2.gz WLRYXPFKTCFVTA-AWEZNQCLSA-N -1 0 381.388 3.747 20 5 GHBDRM O=C([O-])CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cc1 ZINC000600870498 903029490 /nfs/dbraw/zinc/02/94/90/903029490.db2.gz TZIHVQCUGWHVMJ-UHFFFAOYSA-N -1 0 398.415 3.899 20 5 GHBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC000600872850 903031729 /nfs/dbraw/zinc/03/17/29/903031729.db2.gz BWYVGOYIQLODJZ-HNNXBMFYSA-N -1 0 380.466 3.718 20 5 GHBDRM C[C@@H](Cc1ccccc1Cl)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600879321 903039529 /nfs/dbraw/zinc/03/95/29/903039529.db2.gz WKYVVUANAZUZHF-BUXKBTBVSA-N -1 0 390.823 3.543 20 5 GHBDRM CCSCc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000600879268 903040765 /nfs/dbraw/zinc/04/07/65/903040765.db2.gz WAQGKFWZSAXFPZ-LJQANCHMSA-N -1 0 388.445 3.578 20 5 GHBDRM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000195128500 908969259 /nfs/dbraw/zinc/96/92/59/908969259.db2.gz KJAFXEWYXYHEPM-UHFFFAOYSA-N -1 0 397.431 3.733 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)c1 ZINC000795329579 909876538 /nfs/dbraw/zinc/87/65/38/909876538.db2.gz HGCKMNYXECAGMQ-UHFFFAOYSA-N -1 0 396.787 3.578 20 5 GHBDRM CCc1nc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)s1 ZINC000795351616 910036406 /nfs/dbraw/zinc/03/64/06/910036406.db2.gz XEFAKIPWZRVGAI-UHFFFAOYSA-N -1 0 379.822 3.515 20 5 GHBDRM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(Br)cc1[O-])CC2 ZINC000773988580 911236273 /nfs/dbraw/zinc/23/62/73/911236273.db2.gz IEWJWKYROKZESH-UHFFFAOYSA-N -1 0 377.194 3.574 20 5 GHBDRM COc1cc(-c2noc(-c3nc[n-]c3[N+](=O)[O-])n2)ccc1OCc1ccccc1 ZINC001212893157 911369992 /nfs/dbraw/zinc/36/99/92/911369992.db2.gz OUOXMBSOJARSPN-UHFFFAOYSA-N -1 0 393.359 3.623 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@H](Cc2ccccc2)C2CC2)c1 ZINC001186921970 914902862 /nfs/dbraw/zinc/90/28/62/914902862.db2.gz RDCREGYIRKIUNW-OAHLLOKOSA-N -1 0 398.843 3.687 20 5 GHBDRM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)o1 ZINC001187397052 915218789 /nfs/dbraw/zinc/21/87/89/915218789.db2.gz MWFUUIBPWSCLMG-VIFPVBQESA-N -1 0 390.820 3.588 20 5 GHBDRM CC[C@@H]1CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC001187777664 915489129 /nfs/dbraw/zinc/48/91/29/915489129.db2.gz BIGLYYKGAVMRPO-PBHICJAKSA-N -1 0 390.461 3.505 20 5 GHBDRM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c1 ZINC000775298729 916866893 /nfs/dbraw/zinc/86/68/93/916866893.db2.gz VMVGGEWQKDPCSS-UHFFFAOYSA-N -1 0 396.222 3.639 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1[N+](=O)[O-] ZINC000119096178 919604662 /nfs/dbraw/zinc/60/46/62/919604662.db2.gz JGZOENJQOMFCNQ-UHFFFAOYSA-N -1 0 382.463 3.692 20 5 GHBDRM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1Cl ZINC000298928143 921062681 /nfs/dbraw/zinc/06/26/81/921062681.db2.gz DARXKNQYCRRYTA-UHFFFAOYSA-N -1 0 378.816 3.747 20 5 GHBDRM CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000749867826 927320566 /nfs/dbraw/zinc/32/05/66/927320566.db2.gz MYSRAYMTMJSHDE-UHFFFAOYSA-N -1 0 380.397 3.764 20 5 GHBDRM Nc1ccc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000751147822 928048655 /nfs/dbraw/zinc/04/86/55/928048655.db2.gz VNOIXARQBUFSRR-UHFFFAOYSA-N -1 0 383.838 3.846 20 5 GHBDRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000544095478 928800104 /nfs/dbraw/zinc/80/01/04/928800104.db2.gz YTZIPAUHTJCZRA-UHFFFAOYSA-N -1 0 378.454 3.714 20 5 GHBDRM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1 ZINC000753062510 929185719 /nfs/dbraw/zinc/18/57/19/929185719.db2.gz RVGYSIQRVWYMSJ-UHFFFAOYSA-N -1 0 398.824 3.534 20 5 GHBDRM Cc1nc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])ccc2s1 ZINC000781121244 930707818 /nfs/dbraw/zinc/70/78/18/930707818.db2.gz YGGOVXPBAFNWBO-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM COc1ccc2nc(Cl)ccc2c1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1 ZINC000782262167 931146224 /nfs/dbraw/zinc/14/62/24/931146224.db2.gz YYZLJYKBRQKHII-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000558117414 931846018 /nfs/dbraw/zinc/84/60/18/931846018.db2.gz WDWISMNENBUKKL-AWEZNQCLSA-N -1 0 378.837 3.961 20 5 GHBDRM O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1CCC[C@@H]2CCC[C@@H]21 ZINC000798172544 932551568 /nfs/dbraw/zinc/55/15/68/932551568.db2.gz SOKFULLKVQBBJD-AAEUAGOBSA-N -1 0 390.827 3.544 20 5 GHBDRM COc1c(C)ccc([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1C ZINC000798246594 932575513 /nfs/dbraw/zinc/57/55/13/932575513.db2.gz BGFIYTFWBGEXPC-UHFFFAOYSA-N -1 0 388.804 3.814 20 5 GHBDRM COc1ccccc1CO[N-]C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000799096787 932876975 /nfs/dbraw/zinc/87/69/75/932876975.db2.gz RDSOOFHYYVWVGF-UHFFFAOYSA-N -1 0 382.825 3.597 20 5 GHBDRM Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000799130080 932885261 /nfs/dbraw/zinc/88/52/61/932885261.db2.gz YRZNNRYAOWHYBT-UHFFFAOYSA-N -1 0 398.853 3.605 20 5 GHBDRM CC[C@H](C)NC(=O)c1ccc(NCc2cc(OC)c([O-])c([N+](=O)[O-])c2)c(C)c1 ZINC000559998846 933007542 /nfs/dbraw/zinc/00/75/42/933007542.db2.gz FYJMZOKNMMAVTN-ZDUSSCGKSA-N -1 0 387.436 3.758 20 5 GHBDRM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000799532936 933027667 /nfs/dbraw/zinc/02/76/67/933027667.db2.gz STJFRNLQYAUTAB-UHFFFAOYSA-N -1 0 398.824 3.534 20 5 GHBDRM C[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2C1 ZINC001115965481 933261686 /nfs/dbraw/zinc/26/16/86/933261686.db2.gz PMWQFBVESBEPBS-MRVPVSSYSA-N -1 0 387.870 3.630 20 5 GHBDRM Cc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cnc1Br ZINC001137791045 935791499 /nfs/dbraw/zinc/79/14/99/935791499.db2.gz RAGUIEBMFUSBCP-UHFFFAOYSA-N -1 0 386.589 3.672 20 5 GHBDRM O=C(CCC(=O)Nc1c(F)cccc1F)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001137827016 935810141 /nfs/dbraw/zinc/81/01/41/935810141.db2.gz XVYLKBSJYYMIKA-UHFFFAOYSA-N -1 0 399.737 3.589 20 5 GHBDRM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]c1scnc1C1CC1 ZINC000829897286 935879052 /nfs/dbraw/zinc/87/90/52/935879052.db2.gz FDLWIVSVVJZEOC-UHFFFAOYSA-N -1 0 377.806 3.522 20 5 GHBDRM CC(C)C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])N(C)C(=O)OC(C)(C)C ZINC001138013183 935927560 /nfs/dbraw/zinc/92/75/60/935927560.db2.gz JDVSODODLIVMRE-AWEZNQCLSA-N -1 0 381.429 3.521 20 5 GHBDRM Cc1cc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001326373625 961085091 /nfs/dbraw/zinc/08/50/91/961085091.db2.gz 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386.389 3.559 20 5 GHBDRM CC(C)(C)c1nc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC001590544941 990178045 /nfs/dbraw/zinc/17/80/45/990178045.db2.gz MALOILOQQBPMRM-UHFFFAOYSA-N -1 0 383.813 3.953 20 5 GHBDRM CC(C)(C)c1nc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)sc1C(=O)[O-] ZINC001590545445 990181505 /nfs/dbraw/zinc/18/15/05/990181505.db2.gz VWOYACYVLXGFBY-NWDGAFQWSA-N -1 0 389.433 3.789 20 5 GHBDRM CN(CC(=O)Nc1cccc(Cl)c1)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001598400462 991693765 /nfs/dbraw/zinc/69/37/65/991693765.db2.gz KOHCQNFZBJIWOD-UHFFFAOYSA-N -1 0 398.202 3.675 20 5 GHBDRM C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593159597 993986337 /nfs/dbraw/zinc/98/63/37/993986337.db2.gz JIQBIHAIJFPEIB-YOEHRIQHSA-N -1 0 398.459 3.954 20 5 GHBDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC001599643697 994394189 /nfs/dbraw/zinc/39/41/89/994394189.db2.gz MBPUVLRMYVSAQN-UHFFFAOYSA-N -1 0 378.768 3.540 20 5 GHBDRM C[C@@H](NCc1cc(C(=O)[O-])ccc1Br)c1cccc([N+](=O)[O-])c1 ZINC001593289355 994661927 /nfs/dbraw/zinc/66/19/27/994661927.db2.gz QYDDKUTYYNLYBR-SNVBAGLBSA-N -1 0 379.210 3.906 20 5 GHBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001598680370 994917806 /nfs/dbraw/zinc/91/78/06/994917806.db2.gz DUWZJWSHIOQJSG-UHFFFAOYSA-N -1 0 390.421 3.701 20 5 GHBDRM C[C@@H](O)[C@@](C)(CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])Cc1ccccc1 ZINC001593426972 995233869 /nfs/dbraw/zinc/23/38/69/995233869.db2.gz UYDZWLFWKUBUHC-CWTRNNRKSA-N -1 0 392.839 3.988 20 5 GHBDRM C[C@@H](Oc1cccc2ccccc21)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001593640584 995946307 /nfs/dbraw/zinc/94/63/07/995946307.db2.gz LBCQCQFSHCWSJY-GFCCVEGCSA-N -1 0 381.340 3.819 20 5 GHBDRM COc1cc(CN(C)c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])ccc1OC(F)F ZINC001599404875 997279156 /nfs/dbraw/zinc/27/91/56/997279156.db2.gz DNNQITPTMKAOSK-UHFFFAOYSA-N -1 0 396.346 3.848 20 5 GHBDRM COc1c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cccc1C(=O)[O-] ZINC001599342952 997952782 /nfs/dbraw/zinc/95/27/82/997952782.db2.gz VNGJNWNYHASLGB-UHFFFAOYSA-N -1 0 399.384 3.677 20 5 GHBDRM COc1cc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)c([N+](=O)[O-])cc1F ZINC001599355784 998177199 /nfs/dbraw/zinc/17/71/99/998177199.db2.gz KIDHYELRGVMQPJ-UHFFFAOYSA-N -1 0 394.380 3.562 20 5 GHBDRM CC(=O)N1CCC(Oc2ccc3c(c2)oc2c3c(=O)oc3cc([O-])ccc23)CC1 ZINC001227516393 1032449189 /nfs/dbraw/zinc/44/91/89/1032449189.db2.gz CGZWELYMADQGBZ-UHFFFAOYSA-N -1 0 393.395 3.788 20 5 GHBDRM CSc1nc(OC2CCC(OCc3ccccc3)CC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227625117 1032490072 /nfs/dbraw/zinc/49/00/72/1032490072.db2.gz PLPPVLIEAJVKBU-UHFFFAOYSA-N -1 0 391.449 3.719 20 5 GHBDRM CSc1nc(O[C@H](C(=O)c2ccccc2)c2ccccc2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227625160 1032490090 /nfs/dbraw/zinc/49/00/90/1032490090.db2.gz QUXICHUEECSQPV-INIZCTEOSA-N -1 0 397.412 3.815 20 5 GHBDRM CCOC(=O)c1cc(NC(=O)c2cc(=S)cc3[nH]c4ccccc4nc2-3)[nH]n1 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COc1cc(-c2nc(-c3ccc(OC(F)F)cc3)no2)cc([N+](=O)[O-])c1[O-] ZINC001216837461 1029955664 /nfs/dbraw/zinc/95/56/64/1029955664.db2.gz XUHXCYSPMITUCV-UHFFFAOYSA-N -1 0 379.275 3.627 20 5 GHBDRM COc1cc(-c2noc(-c3ccc([O-])cc3[N+](=O)[O-])n2)ccc1-n1cnc(C)c1 ZINC001216890369 1029981537 /nfs/dbraw/zinc/98/15/37/1029981537.db2.gz BDHCBCGCGKCHDU-UHFFFAOYSA-N -1 0 393.359 3.520 20 5 GHBDRM Cc1cnc(-c2noc(-c3cc([N+](=O)[O-])c(C)cc3[O-])n2)c(Br)c1 ZINC001216946090 1030019759 /nfs/dbraw/zinc/01/97/59/1030019759.db2.gz JIFLHBAWRJKCHI-UHFFFAOYSA-N -1 0 391.181 3.792 20 5 GHBDRM CC1(C)CC(=O)c2ccc(-c3noc(-c4cc([O-])c(F)cc4[N+](=O)[O-])n3)cc2O1 ZINC001216951215 1030025234 /nfs/dbraw/zinc/02/52/34/1030025234.db2.gz PTZASCCOEFJXJO-UHFFFAOYSA-N -1 0 399.334 3.900 20 5 GHBDRM COc1cc(F)c(-c2noc(-c3cc([O-])c(Cl)cc3[N+](=O)[O-])n2)cc1OC ZINC001217101366 1030165687 /nfs/dbraw/zinc/16/56/87/1030165687.db2.gz TXZFSUCBZDSZDK-UHFFFAOYSA-N -1 0 395.730 3.827 20 5 GHBDRM O=C(NCCc1cc(Cl)cc(Br)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC001153366748 1031557737 /nfs/dbraw/zinc/55/77/37/1031557737.db2.gz QUVNQRUJZRJGTN-UHFFFAOYSA-N -1 0 399.628 3.689 20 5 GHBDRM CCCCC[C@@H](Oc1nc(=O)[n-]c(C(=O)OCC)c1[N+](=O)[O-])c1ccccc1 ZINC001226021832 1031745355 /nfs/dbraw/zinc/74/53/55/1031745355.db2.gz VSKVUVONSJGSMZ-CQSZACIVSA-N -1 0 389.408 3.968 20 5 GHBDRM CC(C)(C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)OC(C)(C)C ZINC001158447393 1034080980 /nfs/dbraw/zinc/08/09/80/1034080980.db2.gz HFHMVHRGJQISIT-CYBMUJFWSA-N -1 0 380.441 3.567 20 5 GHBDRM O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2Cc3ccc(Br)cc3C2)cc1[O-] ZINC001231222145 1034469716 /nfs/dbraw/zinc/46/97/16/1034469716.db2.gz XMVJSGDPCVJGQS-NSHDSACASA-N -1 0 395.165 3.517 20 5 GHBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)[n-]1 ZINC001231265133 1034492441 /nfs/dbraw/zinc/49/24/41/1034492441.db2.gz YXOFDFJCSYXCKT-CYBMUJFWSA-N -1 0 393.440 3.705 20 5 GHBDRM CC(C)(C)OC(=O)Nc1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001159578006 1034677573 /nfs/dbraw/zinc/67/75/73/1034677573.db2.gz DKIXGQIFJNTJHP-UHFFFAOYSA-N -1 0 387.392 3.577 20 5 GHBDRM CC1(C)CN(c2ccc(Cl)cc2)CCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001159795527 1034744450 /nfs/dbraw/zinc/74/44/50/1034744450.db2.gz GADKKZCTPBUDSA-UHFFFAOYSA-N -1 0 389.839 3.695 20 5 GHBDRM O=C1CCCc2ccc(-c3noc(C([O-])=Cc4ccccc4[N+](=O)[O-])n3)cc21 ZINC001248979025 1036260122 /nfs/dbraw/zinc/26/01/22/1036260122.db2.gz ICSQVHVNVITKOS-UHFFFAOYSA-N -1 0 377.356 3.589 20 5 GHBDRM COc1ccc(C(F)(F)F)cc1-c1noc(Cc2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC001247989490 1038528063 /nfs/dbraw/zinc/52/80/63/1038528063.db2.gz RIWKFKNMXZFDNH-UHFFFAOYSA-N -1 0 395.293 3.969 20 5 GHBDRM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001462324020 1070171522 /nfs/dbraw/zinc/17/15/22/1070171522.db2.gz JYKZIFWXJBFUPG-VIFPVBQESA-N -1 0 389.220 3.857 20 5 GHBDRM O=c1c2cc(O)ccc2oc2cc(O)cc(OC[C@H]3Cc4ccccc4O3)c21 ZINC001234745667 1040271046 /nfs/dbraw/zinc/27/10/46/1040271046.db2.gz WBMGNHOEKAKVFH-OAHLLOKOSA-N -1 0 376.364 3.740 20 5 GHBDRM CC(C)(CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC001292538856 1043777946 /nfs/dbraw/zinc/77/79/46/1043777946.db2.gz BTZCZSCYBWPYQT-UHFFFAOYSA-N -1 0 393.237 3.771 20 5 GHBDRM O=C(NCC1(c2c(F)cccc2F)CCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001292694805 1043835626 /nfs/dbraw/zinc/83/56/26/1043835626.db2.gz FCCRYRWMQLOPOK-UHFFFAOYSA-N -1 0 376.359 3.820 20 5 GHBDRM COc1ccc(C)cc1-c1csc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])n1 ZINC001293012927 1043984093 /nfs/dbraw/zinc/98/40/93/1043984093.db2.gz WUIFJOJFLRGHFU-UHFFFAOYSA-N -1 0 385.401 3.993 20 5 GHBDRM COc1cc(C)ccc1S(=O)(=O)[N-]c1cc2cccnc2c2ncccc12 ZINC001259205309 1045008565 /nfs/dbraw/zinc/00/85/65/1045008565.db2.gz LTYSFXXUDAPUAA-UHFFFAOYSA-N -1 0 379.441 3.901 20 5 GHBDRM CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001305729959 1048232766 /nfs/dbraw/zinc/23/27/66/1048232766.db2.gz JBAWBMWMAPMGDO-NSHDSACASA-N -1 0 375.450 3.544 20 5 GHBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)ccc1F ZINC001327927033 1050326896 /nfs/dbraw/zinc/32/68/96/1050326896.db2.gz VXFDXUCLNVBPBA-UHFFFAOYSA-N -1 0 399.709 3.602 20 5 GHBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC001318809788 1054887156 /nfs/dbraw/zinc/88/71/56/1054887156.db2.gz OIVFIUQJPYTQGO-UHFFFAOYSA-N -1 0 398.440 3.531 20 5 GHBDRM COCCN(CCCc1ccccc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001442765468 1059006556 /nfs/dbraw/zinc/00/65/56/1059006556.db2.gz JIOCXEHJSGFCCG-UHFFFAOYSA-N -1 0 392.839 3.675 20 5 GHBDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)n2)cc1 ZINC001339622152 1059351331 /nfs/dbraw/zinc/35/13/31/1059351331.db2.gz DLPKGZUNQIMUEJ-UHFFFAOYSA-N -1 0 392.415 3.766 20 5 GHBDRM Nc1ccc(Br)cc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001446841533 1059876607 /nfs/dbraw/zinc/87/66/07/1059876607.db2.gz YVHPQDFUFLNSCW-UHFFFAOYSA-N -1 0 386.589 3.551 20 5 GHBDRM O=C(Nc1c[nH]c2ccc(Br)cc12)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001455713642 1062271852 /nfs/dbraw/zinc/27/18/52/1062271852.db2.gz CVKFAAOJFFMJDT-UHFFFAOYSA-N -1 0 376.166 3.797 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]CCC2=CCCCCC2)c1 ZINC001463487820 1064398470 /nfs/dbraw/zinc/39/84/70/1064398470.db2.gz HWSOLLFECUXACX-UHFFFAOYSA-N -1 0 376.837 3.946 20 5 GHBDRM CC(C)([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC001464342807 1064963445 /nfs/dbraw/zinc/96/34/45/1064963445.db2.gz VLNBSGXKZIJFMH-LBPRGKRZSA-N -1 0 397.280 3.528 20 5 GHBDRM Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001464526813 1065063389 /nfs/dbraw/zinc/06/33/89/1065063389.db2.gz OFOYPBRDWVFUJQ-UHFFFAOYSA-N -1 0 383.404 3.534 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001466408986 1066137341 /nfs/dbraw/zinc/13/73/41/1066137341.db2.gz PVIANLIHJLYZLK-UHFFFAOYSA-N -1 0 390.110 3.907 20 5 GHBDRM O=C(NCc1c(F)cccc1OC(F)F)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001467715569 1067435032 /nfs/dbraw/zinc/43/50/32/1067435032.db2.gz JWGSUXFVLOENKX-UHFFFAOYSA-N -1 0 390.701 3.624 20 5 GHBDRM O=C(Nc1ccc(Oc2ccnc(Cl)n2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001469114316 1067983417 /nfs/dbraw/zinc/98/34/17/1067983417.db2.gz VIZPYCAWRRDKNY-UHFFFAOYSA-N -1 0 386.751 3.788 20 5 GHBDRM O=C(Nc1cccc([C@H]2CCCC(=O)N2)c1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001471913396 1073256932 /nfs/dbraw/zinc/25/69/32/1073256932.db2.gz QEXGCCDMZYMHPJ-CQSZACIVSA-N -1 0 389.795 3.547 20 5 GHBDRM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001472818862 1073679867 /nfs/dbraw/zinc/67/98/67/1073679867.db2.gz CGLRDPYRVPZECO-WPRPVWTQSA-N -1 0 399.291 3.649 20 5 GHBDRM CC(C)Sc1ccc([C@@H](C)NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC001474952500 1074648662 /nfs/dbraw/zinc/64/86/62/1074648662.db2.gz UPVYXKBSDMLELN-GFCCVEGCSA-N -1 0 396.490 3.840 20 5 GHBDRM CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC001475146533 1074757350 /nfs/dbraw/zinc/75/73/50/1074757350.db2.gz WWWRMFLADNDPDU-NSHDSACASA-N -1 0 388.795 3.894 20 5 GHBDRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(F)(F)F ZINC001475245234 1074802452 /nfs/dbraw/zinc/80/24/52/1074802452.db2.gz MJZRFCKHORNDLL-JVXZTZIISA-N -1 0 388.795 3.812 20 5 GHBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC001475388036 1074857571 /nfs/dbraw/zinc/85/75/71/1074857571.db2.gz WJAGDHDOOBIVDW-DZGCQCFKSA-N -1 0 395.868 3.648 20 5 GHBDRM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC001475811668 1075026304 /nfs/dbraw/zinc/02/63/04/1075026304.db2.gz IPDASJICQYLZEJ-MRVPVSSYSA-N -1 0 381.159 3.521 20 5 GHBDRM Cc1sc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000738990395 599871548 /nfs/dbraw/zinc/87/15/48/599871548.db2.gz LHNIMTNBBVZHAQ-UHFFFAOYSA-N -1 0 376.415 3.808 20 5 GHBDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000738200754 599886543 /nfs/dbraw/zinc/88/65/43/599886543.db2.gz JBKKDVDBHXTROL-OAHLLOKOSA-N -1 0 389.433 3.963 20 5 GHBDRM C[C@H](CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC000237381575 599930670 /nfs/dbraw/zinc/93/06/70/599930670.db2.gz JULKCXDDGBPWQY-CYBMUJFWSA-N -1 0 383.404 3.664 20 5 GHBDRM C[C@@H](NC(=O)Nc1cccc(CSCC(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000736648694 600018347 /nfs/dbraw/zinc/01/83/47/600018347.db2.gz INFMZUBBBCXYHS-GFCCVEGCSA-N -1 0 389.433 3.795 20 5 GHBDRM Cc1cccc(C[C@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000738707864 600025709 /nfs/dbraw/zinc/02/57/09/600025709.db2.gz IQBLROWJJMOZEF-CYBMUJFWSA-N -1 0 391.811 3.622 20 5 GHBDRM COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)cc1SC ZINC000737906250 600056772 /nfs/dbraw/zinc/05/67/72/600056772.db2.gz YTHFUXMHYFIGTI-JTQLQIEISA-N -1 0 391.401 3.942 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000740090015 600191752 /nfs/dbraw/zinc/19/17/52/600191752.db2.gz JHLCEGJPRDNUMO-UHFFFAOYSA-N -1 0 386.751 3.589 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc([N+](=O)[O-])c1 ZINC000740089460 600192707 /nfs/dbraw/zinc/19/27/07/600192707.db2.gz XLHQXFFJMOACQH-UHFFFAOYSA-N -1 0 392.371 3.608 20 5 GHBDRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000739720299 600206414 /nfs/dbraw/zinc/20/64/14/600206414.db2.gz QVYOWSIHJMAKLH-UHFFFAOYSA-N -1 0 398.749 3.644 20 5 GHBDRM CN(Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1)C(=O)[O-] ZINC000737485355 600304949 /nfs/dbraw/zinc/30/49/49/600304949.db2.gz JTXQWFNUYYGWCE-UHFFFAOYSA-N -1 0 398.419 3.557 20 5 GHBDRM CN(Cc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-] ZINC000737479217 600305109 /nfs/dbraw/zinc/30/51/09/600305109.db2.gz OJNCHKODCDFBIJ-UHFFFAOYSA-N -1 0 386.408 3.535 20 5 GHBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736472536 600352025 /nfs/dbraw/zinc/35/20/25/600352025.db2.gz WUWLVKXCQZCPDS-UHFFFAOYSA-N -1 0 386.408 3.805 20 5 GHBDRM COC(=O)C=Cc1ccc(NCCc2ccc(NC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000737600187 600364365 /nfs/dbraw/zinc/36/43/65/600364365.db2.gz YZMOYIGYMLLOLP-WEVVVXLNSA-N -1 0 385.376 3.526 20 5 GHBDRM Cc1noc(COc2ccc(Nc3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])cc2)n1 ZINC000738951385 600436148 /nfs/dbraw/zinc/43/61/48/600436148.db2.gz URWBUQKJILDSSS-OQFOIZHKSA-N -1 0 396.359 3.707 20 5 GHBDRM O=C([O-])CCCOc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000739686949 600496957 /nfs/dbraw/zinc/49/69/57/600496957.db2.gz ZTVSBIUEENMQGC-UHFFFAOYSA-N -1 0 383.360 3.572 20 5 GHBDRM CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236715890 600539375 /nfs/dbraw/zinc/53/93/75/600539375.db2.gz FNZKJUHAJLGBFW-GFCCVEGCSA-N -1 0 396.403 3.715 20 5 GHBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 ZINC000738202548 600586480 /nfs/dbraw/zinc/58/64/80/600586480.db2.gz HFIOIOMRXBVLJX-HNNXBMFYSA-N -1 0 394.836 3.916 20 5 GHBDRM C[C@@H](CN(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000485913264 600593385 /nfs/dbraw/zinc/59/33/85/600593385.db2.gz JDUOWJMEYIEYQE-NSHDSACASA-N -1 0 392.795 3.833 20 5 GHBDRM C[C@H](CN(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000485913263 600593492 /nfs/dbraw/zinc/59/34/92/600593492.db2.gz JDUOWJMEYIEYQE-LLVKDONJSA-N -1 0 392.795 3.833 20 5 GHBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)c1 ZINC000738213387 600939361 /nfs/dbraw/zinc/93/93/61/600939361.db2.gz UGQAYAZRYNZPQT-UHFFFAOYSA-N -1 0 378.381 3.577 20 5 GHBDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000833188053 600942300 /nfs/dbraw/zinc/94/23/00/600942300.db2.gz VNTJBIATNSMWPV-NWDGAFQWSA-N -1 0 375.406 3.548 20 5 GHBDRM C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000191626302 600980989 /nfs/dbraw/zinc/98/09/89/600980989.db2.gz FNMKIGSEQQOZOM-CYBMUJFWSA-N -1 0 391.383 3.846 20 5 GHBDRM CC[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC000236955822 600981044 /nfs/dbraw/zinc/98/10/44/600981044.db2.gz NJHFSJSVURGKTJ-AUUYWEPGSA-N -1 0 382.416 3.949 20 5 GHBDRM O=C([O-])c1cccc(-c2nc(COC(=O)c3csc([N+](=O)[O-])c3)cs2)c1 ZINC000833326377 601112095 /nfs/dbraw/zinc/11/20/95/601112095.db2.gz LKHSSRZZHWEXCT-UHFFFAOYSA-N -1 0 390.398 3.835 20 5 GHBDRM C[C@@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1noc(Cc2ccccc2)n1 ZINC000827767721 601383057 /nfs/dbraw/zinc/38/30/57/601383057.db2.gz IZCXKKWZHALJOX-AORWBKJGSA-N -1 0 394.387 3.840 20 5 GHBDRM CC(C)(NC(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000826621504 601705159 /nfs/dbraw/zinc/70/51/59/601705159.db2.gz YJBPGJJCCNVJBF-UHFFFAOYSA-N -1 0 387.392 3.505 20 5 GHBDRM O=C([O-])c1ccc(COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F ZINC000833315943 601732643 /nfs/dbraw/zinc/73/26/43/601732643.db2.gz LVMTZRLDYLQIMV-UHFFFAOYSA-N -1 0 387.241 3.808 20 5 GHBDRM 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CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000055594884 854015351 /nfs/dbraw/zinc/01/53/51/854015351.db2.gz HRYDLCVIFWRBRN-UHFFFAOYSA-N -1 0 397.840 3.706 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000588942673 854607094 /nfs/dbraw/zinc/60/70/94/854607094.db2.gz CNVIYAUGECQBRY-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c(-c3ccccc3)ncn2C2CC2)s1 ZINC000589596297 855076970 /nfs/dbraw/zinc/07/69/70/855076970.db2.gz FAYACQOYYATLRE-UHFFFAOYSA-N -1 0 390.446 3.656 20 5 GHBDRM O=C([O-])C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000590846734 855611838 /nfs/dbraw/zinc/61/18/38/855611838.db2.gz ZOVLUVDFMPZFAH-ZDUSSCGKSA-N -1 0 392.477 3.956 20 5 GHBDRM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000765862731 855826335 /nfs/dbraw/zinc/82/63/35/855826335.db2.gz MIICDPJFGNULGK-UHFFFAOYSA-N -1 0 381.175 3.596 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc(Cc3ccccc3)cs2)s1 ZINC000171155454 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KPSBMKGZSXCQFP-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000486589137 857886964 /nfs/dbraw/zinc/88/69/64/857886964.db2.gz GHZLJUBWQRKUON-HNNXBMFYSA-N -1 0 396.321 3.533 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000184890962 858361528 /nfs/dbraw/zinc/36/15/28/858361528.db2.gz NOBNQXRPMKTKGN-INIZCTEOSA-N -1 0 394.387 3.718 20 5 GHBDRM CCCCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1CCc2ncsc2C1 ZINC000592902894 858373016 /nfs/dbraw/zinc/37/30/16/858373016.db2.gz ULJFMHGFJRXDCH-ZDUSSCGKSA-N -1 0 375.450 3.557 20 5 GHBDRM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000067454368 858574097 /nfs/dbraw/zinc/57/40/97/858574097.db2.gz DHSKKOSWLVIVAF-INIZCTEOSA-N -1 0 377.784 3.549 20 5 GHBDRM O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160238445 858668371 /nfs/dbraw/zinc/66/83/71/858668371.db2.gz DKQGDRZDLJEBBB-UHFFFAOYSA-N -1 0 376.781 3.725 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000543164074 858694843 /nfs/dbraw/zinc/69/48/43/858694843.db2.gz WOFZQLIZRAVWQI-JTQLQIEISA-N -1 0 384.845 3.525 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000543165546 858720761 /nfs/dbraw/zinc/72/07/61/858720761.db2.gz GTLIGCKPLQOUSD-LLVKDONJSA-N -1 0 392.433 3.591 20 5 GHBDRM O=C([O-])CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000595975255 858736339 /nfs/dbraw/zinc/73/63/39/858736339.db2.gz PLGWGOGHCHCPBP-HNNXBMFYSA-N -1 0 385.420 3.650 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)c2cccnc21 ZINC000184967861 858767970 /nfs/dbraw/zinc/76/79/70/858767970.db2.gz BFRQZWBWNWCFFZ-UHFFFAOYSA-N -1 0 395.343 3.545 20 5 GHBDRM O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000443555303 858944451 /nfs/dbraw/zinc/94/44/51/858944451.db2.gz BSNQMYGIHDVKBA-UHFFFAOYSA-N -1 0 398.312 3.920 20 5 GHBDRM CC[C@H](C)Oc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1 ZINC000499176890 881376121 /nfs/dbraw/zinc/37/61/21/881376121.db2.gz QHSNRHPUSIZRMB-LBPRGKRZSA-N -1 0 380.422 3.587 20 5 GHBDRM O=C(CCc1nnc(-c2cc3ccccc3o2)o1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000483445211 859381252 /nfs/dbraw/zinc/38/12/52/859381252.db2.gz ZSCPOSOOTJSPCC-UHFFFAOYSA-N -1 0 394.343 3.668 20 5 GHBDRM O=C(CCc1cc2ccccc2[nH]c1=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000543679540 859394615 /nfs/dbraw/zinc/39/46/15/859394615.db2.gz KMRGRHFYMNYDDI-UHFFFAOYSA-N -1 0 387.779 3.779 20 5 GHBDRM CCC(=O)c1ccc(OCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000543681283 859411587 /nfs/dbraw/zinc/41/15/87/859411587.db2.gz ZTWHIOXADBWRHN-UHFFFAOYSA-N -1 0 378.768 3.564 20 5 GHBDRM Cc1c(Br)c(N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)ncc1[N+](=O)[O-] ZINC000593328155 859426299 /nfs/dbraw/zinc/42/62/99/859426299.db2.gz QQYJULNEZGHJEW-RYUDHWBXSA-N -1 0 392.209 3.786 20 5 GHBDRM O=C(N=c1[n-]nc(-c2ccccc2)s1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466472455 859662284 /nfs/dbraw/zinc/66/22/84/859662284.db2.gz YAAQBWJPENHUJK-UHFFFAOYSA-N -1 0 389.824 3.510 20 5 GHBDRM O=[N+]([O-])c1cccc2ncnc(Sc3n[n-]c(=NCc4ccccc4)s3)c21 ZINC000543435722 859712388 /nfs/dbraw/zinc/71/23/88/859712388.db2.gz WHKMZSYUDZKKFA-UHFFFAOYSA-N -1 0 396.457 3.575 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)sc1Br ZINC000123681463 860037486 /nfs/dbraw/zinc/03/74/86/860037486.db2.gz SPZRGZPKOVQBAT-UHFFFAOYSA-N -1 0 377.241 3.528 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000598139938 860070034 /nfs/dbraw/zinc/07/00/34/860070034.db2.gz QQWAEPXQMBAOHO-MRXNPFEDSA-N -1 0 392.795 3.541 20 5 GHBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000552259055 860412202 /nfs/dbraw/zinc/41/22/02/860412202.db2.gz LWZHAMZUZAPLKI-UHFFFAOYSA-N -1 0 399.432 3.838 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)c(C)c1[N+](=O)[O-] ZINC000598715251 860525439 /nfs/dbraw/zinc/52/54/39/860525439.db2.gz AILQMMIIEKSERY-UHFFFAOYSA-N -1 0 389.355 3.735 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000185588281 860773513 /nfs/dbraw/zinc/77/35/13/860773513.db2.gz UWVRLFVZFSMZCA-CYBMUJFWSA-N -1 0 390.823 3.885 20 5 GHBDRM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(-c2cccc(F)c2)no1 ZINC000603616856 860941329 /nfs/dbraw/zinc/94/13/29/860941329.db2.gz MVDMPKZIDYMWHW-UHFFFAOYSA-N -1 0 399.334 3.803 20 5 GHBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cccc(Oc2ccccn2)c1 ZINC000174771507 881607276 /nfs/dbraw/zinc/60/72/76/881607276.db2.gz OSINJQAHYGJHCF-UHFFFAOYSA-N -1 0 389.364 3.722 20 5 GHBDRM Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1C ZINC000603779015 861165308 /nfs/dbraw/zinc/16/53/08/861165308.db2.gz LKGKAAQYGQMIGR-UHFFFAOYSA-N -1 0 386.433 3.711 20 5 GHBDRM Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185719061 861188364 /nfs/dbraw/zinc/18/83/64/861188364.db2.gz XTIZGWKSKKJPCT-UHFFFAOYSA-N -1 0 388.380 3.577 20 5 GHBDRM Cc1nc(-c2ccc(CCNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2)cs1 ZINC000159929564 863163845 /nfs/dbraw/zinc/16/38/45/863163845.db2.gz CIVAWDKIDMHRTA-UHFFFAOYSA-N -1 0 383.429 3.705 20 5 GHBDRM O=C(NCc1ccc(O)c(F)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444254482 863764106 /nfs/dbraw/zinc/76/41/06/863764106.db2.gz TUELWSNWZYSFPY-UHFFFAOYSA-N -1 0 398.340 3.734 20 5 GHBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455934286 863799044 /nfs/dbraw/zinc/79/90/44/863799044.db2.gz VGSVCUQVTYETOO-WBVHZDCISA-N -1 0 384.432 3.582 20 5 GHBDRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000734080776 863984566 /nfs/dbraw/zinc/98/45/66/863984566.db2.gz YPGPBGDVUXVHSO-LBPRGKRZSA-N -1 0 388.873 3.660 20 5 GHBDRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(C)cc1 ZINC000739154953 865692917 /nfs/dbraw/zinc/69/29/17/865692917.db2.gz HTXAVUYWNNTGSC-OAHLLOKOSA-N -1 0 390.461 3.600 20 5 GHBDRM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Cl ZINC000739380940 865709585 /nfs/dbraw/zinc/70/95/85/865709585.db2.gz ATNYCLKFQCHVMA-UHFFFAOYSA-N -1 0 390.248 3.768 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2c(cccc2C)s1 ZINC000608927346 865832126 /nfs/dbraw/zinc/83/21/26/865832126.db2.gz XABFTZLCOBHDMP-UHFFFAOYSA-N -1 0 377.447 3.876 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)c([N+](=O)[O-])c1 ZINC000534332203 866574717 /nfs/dbraw/zinc/57/47/17/866574717.db2.gz KKIFINZAJWRTMW-UHFFFAOYSA-N -1 0 391.430 3.528 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2OC(F)F)cc1 ZINC000546540502 866808379 /nfs/dbraw/zinc/80/83/79/866808379.db2.gz UNSRXDUNXWFBHJ-UHFFFAOYSA-N -1 0 378.740 3.650 20 5 GHBDRM O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000475609707 866960434 /nfs/dbraw/zinc/96/04/34/866960434.db2.gz TVJMVTCCGQVEMT-UHFFFAOYSA-N -1 0 383.404 3.615 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)cc1[N+](=O)[O-] ZINC000742025368 867016361 /nfs/dbraw/zinc/01/63/61/867016361.db2.gz DOEGVOQIZFEBCW-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc1[N+](=O)[O-] ZINC000742028382 867016778 /nfs/dbraw/zinc/01/67/78/867016778.db2.gz IQUTZIMPODNJME-UHFFFAOYSA-N -1 0 382.413 3.768 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cc(F)ccc2OC(C)C)cc1[N+](=O)[O-] ZINC000742029647 867019123 /nfs/dbraw/zinc/01/91/23/867019123.db2.gz GFTVSHJDGZQECJ-UHFFFAOYSA-N -1 0 386.376 3.769 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Oc4ncccn4)cc3)no2)cc1[O-] ZINC000445186324 867908026 /nfs/dbraw/zinc/90/80/26/867908026.db2.gz ITXUJZRHLIUHLR-UHFFFAOYSA-N -1 0 377.316 3.600 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(Cc3cc(Br)ccc3F)no2)cc1[O-] ZINC000445210516 867965089 /nfs/dbraw/zinc/96/50/89/867965089.db2.gz PGPMGYGELHCWRK-UHFFFAOYSA-N -1 0 394.156 3.843 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OCc4ccccc4)nc3)no2)cc1[O-] ZINC000445214605 867981388 /nfs/dbraw/zinc/98/13/88/867981388.db2.gz RHTSAYYLOBVYPL-UHFFFAOYSA-N -1 0 390.355 3.991 20 5 GHBDRM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000524126497 868575020 /nfs/dbraw/zinc/57/50/20/868575020.db2.gz VXCNCNCTVNRJFY-CYBMUJFWSA-N -1 0 390.795 3.956 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(-c3cnn(-c4cccc(Cl)c4)c3)no2)cc1[O-] ZINC000445646281 868777252 /nfs/dbraw/zinc/77/72/52/868777252.db2.gz CYJBVHNQWZVOTN-UHFFFAOYSA-N -1 0 383.751 3.857 20 5 GHBDRM COc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1OC(F)F ZINC000539749589 869712402 /nfs/dbraw/zinc/71/24/02/869712402.db2.gz KJBDXGRZXCLMPJ-UHFFFAOYSA-N -1 0 388.710 3.816 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000920789165 882376825 /nfs/dbraw/zinc/37/68/25/882376825.db2.gz VIFQCENIQKSEDM-JQWIXIFHSA-N -1 0 388.873 3.578 20 5 GHBDRM Cc1sc(Br)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000122335265 870453053 /nfs/dbraw/zinc/45/30/53/870453053.db2.gz FPEVNMQAHWUBMG-UHFFFAOYSA-N -1 0 391.268 3.836 20 5 GHBDRM CCc1[nH]nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1-c1cccs1 ZINC000446959849 870773136 /nfs/dbraw/zinc/77/31/36/870773136.db2.gz LVDQBDFSTSCDJG-UHFFFAOYSA-N -1 0 392.462 3.718 20 5 GHBDRM CC(C)(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000181319772 870812416 /nfs/dbraw/zinc/81/24/16/870812416.db2.gz INWXGBNNIIVRSQ-UHFFFAOYSA-N -1 0 386.376 3.851 20 5 GHBDRM CC1(C)CC[C@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC001193997037 871453109 /nfs/dbraw/zinc/45/31/09/871453109.db2.gz GPDGHISGYFKLNZ-CVEARBPZSA-N -1 0 389.477 3.631 20 5 GHBDRM CCSc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC000447398157 871533902 /nfs/dbraw/zinc/53/39/02/871533902.db2.gz QLJVFCDDCWAARS-UHFFFAOYSA-N -1 0 396.446 3.514 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])nn1-c1ccc(C)cc1 ZINC000539399638 871900421 /nfs/dbraw/zinc/90/04/21/871900421.db2.gz WPGFCTMGWMDPNS-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2nc(CN=c3[n-]nc(Cc4ccsc4)o3)cs2)c1 ZINC000540792725 872189130 /nfs/dbraw/zinc/18/91/30/872189130.db2.gz FUGSFFHDNVVODE-UHFFFAOYSA-N -1 0 399.457 3.788 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1C(F)(F)F ZINC000447776464 872264659 /nfs/dbraw/zinc/26/46/59/872264659.db2.gz IVNUWKPKFCQRBR-UHFFFAOYSA-N -1 0 396.368 3.793 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000182489370 872444094 /nfs/dbraw/zinc/44/40/94/872444094.db2.gz VETBPGHKATVKJM-UHFFFAOYSA-N -1 0 379.781 3.704 20 5 GHBDRM Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1C ZINC000122393203 872743967 /nfs/dbraw/zinc/74/39/67/872743967.db2.gz WNQPQJRDFGWENP-UHFFFAOYSA-N -1 0 391.268 3.836 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)nc2)cc([N+](=O)[O-])c1F ZINC000768269146 873200581 /nfs/dbraw/zinc/20/05/81/873200581.db2.gz FOCVDSVNQQBWIY-UHFFFAOYSA-N -1 0 395.412 3.560 20 5 GHBDRM CC(C)(C)c1ccc(N2CCC(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2)cc1 ZINC000780398499 873230906 /nfs/dbraw/zinc/23/09/06/873230906.db2.gz NMDBCNCQIIJUFO-UHFFFAOYSA-N -1 0 397.475 3.997 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000768627723 873422481 /nfs/dbraw/zinc/42/24/81/873422481.db2.gz VGNXBJZTFOAWTH-LBPRGKRZSA-N -1 0 380.322 3.949 20 5 GHBDRM COc1cc(/C=C\c2ccc3cc([N+](=O)[O-])ccc3n2)ccc1OCC(=O)[O-] ZINC000769746657 874281457 /nfs/dbraw/zinc/28/14/57/874281457.db2.gz NJKCNWDRXZJBEB-DJWKRKHSSA-N -1 0 380.356 3.785 20 5 GHBDRM Cn1cc(Nc2cccc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])c2)cn1 ZINC000541824018 874342537 /nfs/dbraw/zinc/34/25/37/874342537.db2.gz FHTGBQSMBXPHPC-UHFFFAOYSA-N -1 0 387.783 3.683 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cn(C)nc1C1CCCCC1 ZINC000451074588 877311172 /nfs/dbraw/zinc/31/11/72/877311172.db2.gz QWUPHYJRWWRSQP-UHFFFAOYSA-N -1 0 392.481 3.739 20 5 GHBDRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000537753628 878242175 /nfs/dbraw/zinc/24/21/75/878242175.db2.gz XVMGBJAQSSTSRY-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130468609 878274666 /nfs/dbraw/zinc/27/46/66/878274666.db2.gz XSFDMEPFUWDKNT-KRWDZBQOSA-N -1 0 380.404 3.647 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000538004411 878656044 /nfs/dbraw/zinc/65/60/44/878656044.db2.gz LIGUGHYDGFSXFM-UHFFFAOYSA-N -1 0 376.434 3.851 20 5 GHBDRM CCc1c([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cnn1C(CC)CC ZINC000790423123 879703416 /nfs/dbraw/zinc/70/34/16/879703416.db2.gz XRVXBZCPJRFLTI-UHFFFAOYSA-N -1 0 384.433 3.655 20 5 GHBDRM CCc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cnn1C(CC)CC ZINC000790423381 879706785 /nfs/dbraw/zinc/70/67/85/879706785.db2.gz YWNDXSCWYXGFHM-UHFFFAOYSA-N -1 0 398.460 3.963 20 5 GHBDRM Cc1cc(=NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[n-]nc1C ZINC000429528271 880964684 /nfs/dbraw/zinc/96/46/84/880964684.db2.gz LWCFWBMIAUABTE-UHFFFAOYSA-N -1 0 380.429 3.827 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)nn2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000609657595 883495613 /nfs/dbraw/zinc/49/56/13/883495613.db2.gz BWBYXBWVICPWSA-UHFFFAOYSA-N -1 0 394.497 3.953 20 5 GHBDRM O=C(N=c1ccc(C2CC2)n[n-]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000609693573 883570098 /nfs/dbraw/zinc/57/00/98/883570098.db2.gz BQLWWVWPFMCKPX-UHFFFAOYSA-N -1 0 375.388 3.680 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000007708188 884531809 /nfs/dbraw/zinc/53/18/09/884531809.db2.gz UUHONLBTBMZFLS-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1Br ZINC000475830181 884777274 /nfs/dbraw/zinc/77/72/74/884777274.db2.gz JKGSHLRXTHUGBO-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1c[nH]nc1-c1ccc(F)cc1 ZINC000537542459 885160767 /nfs/dbraw/zinc/16/07/67/885160767.db2.gz DDLGERPWBFXBGC-UHFFFAOYSA-N -1 0 376.731 3.735 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(OCc2ccncc2)cc1 ZINC000609219588 886258492 /nfs/dbraw/zinc/25/84/92/886258492.db2.gz CUHLCRBLHQGKCP-UHFFFAOYSA-N -1 0 399.428 3.678 20 5 GHBDRM CC(C)(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc([N+](=O)[O-])cc1F ZINC000762624054 886532760 /nfs/dbraw/zinc/53/27/60/886532760.db2.gz NMYMSARSOXUCLP-UHFFFAOYSA-N -1 0 397.746 3.917 20 5 GHBDRM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809837293 887857142 /nfs/dbraw/zinc/85/71/42/887857142.db2.gz XAASIWPUVIZSFQ-SECBINFHSA-N -1 0 392.758 3.643 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000916790415 890210047 /nfs/dbraw/zinc/21/00/47/890210047.db2.gz AWEDTALRRABZFO-JTQLQIEISA-N -1 0 390.889 3.824 20 5 GHBDRM Cc1nc(-c2cccc([N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])c2)cs1 ZINC000121951564 891957049 /nfs/dbraw/zinc/95/70/49/891957049.db2.gz HHOGOIVGBBYPAM-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC1(C)C ZINC000497626919 892057181 /nfs/dbraw/zinc/05/71/81/892057181.db2.gz FQUGEZANQKSAKS-QGZVFWFLSA-N -1 0 391.449 3.615 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383.173 3.773 20 5 GHBDRM O=C([O-])c1ccnc(N2CCC[C@H](COc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000576111352 901689471 /nfs/dbraw/zinc/68/94/71/901689471.db2.gz VPYBSUWBTXQDLA-LBPRGKRZSA-N -1 0 391.811 3.637 20 5 GHBDRM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000005127038 914566848 /nfs/dbraw/zinc/56/68/48/914566848.db2.gz IJZFCEOIVOQVLD-UHFFFAOYSA-N -1 0 394.449 3.710 20 5 GHBDRM O=C([O-])[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000600873759 903032940 /nfs/dbraw/zinc/03/29/40/903032940.db2.gz DEGZVKHPRNNUED-ZDUSSCGKSA-N -1 0 388.342 3.625 20 5 GHBDRM O=C(NCC/C=C/c1ccc(Br)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001148839903 904226122 /nfs/dbraw/zinc/22/61/22/904226122.db2.gz WAYHLSRBISHOCI-HNQUOIGGSA-N -1 0 391.221 3.896 20 5 GHBDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901521877 921197419 /nfs/dbraw/zinc/19/74/19/921197419.db2.gz IRLDCMNFXHBLPK-SECBINFHSA-N -1 0 391.287 3.742 20 5 GHBDRM O=C([O-])c1ccc(Nc2ccc3nc(-c4ccc(F)cc4)nn3c2)cc1[N+](=O)[O-] ZINC001174504330 907080059 /nfs/dbraw/zinc/08/00/59/907080059.db2.gz NIUBTLRNPOZQMI-UHFFFAOYSA-N -1 0 393.334 3.885 20 5 GHBDRM O=C([O-])c1cc(Nc2ccc3nnc(-c4ccccc4)n3c2)cc([N+](=O)[O-])c1 ZINC001176672650 908202931 /nfs/dbraw/zinc/20/29/31/908202931.db2.gz MAYGTGJYJRXPLG-UHFFFAOYSA-N -1 0 375.344 3.746 20 5 GHBDRM COc1ccc(Cn2nc(C)cc2Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001176672259 908203493 /nfs/dbraw/zinc/20/34/93/908203493.db2.gz HBSSLPLONLIQMC-UHFFFAOYSA-N -1 0 382.376 3.598 20 5 GHBDRM CCOc1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cnc1Br ZINC001176674275 908204481 /nfs/dbraw/zinc/20/44/81/908204481.db2.gz IBUANEVRINITQH-UHFFFAOYSA-N -1 0 382.170 3.593 20 5 GHBDRM CCOC(=O)c1ccc2c(cccc2Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001176679546 908206886 /nfs/dbraw/zinc/20/68/86/908206886.db2.gz MFOOIXGEUFNYEH-UHFFFAOYSA-N -1 0 381.344 3.762 20 5 GHBDRM O=C([O-])c1cc(Nc2cc(F)c(OC3CCOCC3)c(F)c2)cc([N+](=O)[O-])c1 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YSECBBMTHNDJRO-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM Cc1cc(C)cc(-c2nnc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)s2)c1 ZINC000120058987 919681947 /nfs/dbraw/zinc/68/19/47/919681947.db2.gz RKXAUCQUVLASAU-UHFFFAOYSA-N -1 0 396.475 3.592 20 5 GHBDRM CCN(C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])C1CCCC1 ZINC000803701687 923160123 /nfs/dbraw/zinc/16/01/23/923160123.db2.gz LBAXVOGVGJFUHD-UHFFFAOYSA-N -1 0 378.816 3.544 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)nn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409582611 924785945 /nfs/dbraw/zinc/78/59/45/924785945.db2.gz REKHMGHWSDGLLG-UHFFFAOYSA-N -1 0 394.497 3.953 20 5 GHBDRM C[C@](CC(=O)[O-])(C(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000726603902 926758485 /nfs/dbraw/zinc/75/84/85/926758485.db2.gz ATIIEMARCLWKRG-QGZVFWFLSA-N -1 0 379.369 3.503 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)nn1-c1ccc(C)cc1 ZINC000466972296 928553575 /nfs/dbraw/zinc/55/35/75/928553575.db2.gz DECRFOUMCQEIIF-UHFFFAOYSA-N -1 0 392.462 3.568 20 5 GHBDRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000466976038 928559481 /nfs/dbraw/zinc/55/94/81/928559481.db2.gz RUCOILHFSIDHLZ-UHFFFAOYSA-N -1 0 386.451 3.563 20 5 GHBDRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Cl ZINC000543952531 928608516 /nfs/dbraw/zinc/60/85/16/928608516.db2.gz NEIIXNXCJDKRTJ-UHFFFAOYSA-N -1 0 389.216 3.905 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1[N+](=O)[O-] ZINC000753081350 929195723 /nfs/dbraw/zinc/19/57/23/929195723.db2.gz HUWVPCIMEFCLFI-UHFFFAOYSA-N -1 0 382.825 3.682 20 5 GHBDRM O=[N+]([O-])c1cc(CN=c2[n-]nc(C(F)F)o2)ccc1Oc1ccc(F)cc1 ZINC000469461357 929914743 /nfs/dbraw/zinc/91/47/43/929914743.db2.gz RSDVCCUWVGORMV-UHFFFAOYSA-N -1 0 380.282 3.881 20 5 GHBDRM COC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)c1 ZINC000783816017 931666353 /nfs/dbraw/zinc/66/63/53/931666353.db2.gz JTYDLIWQFYECJY-UHFFFAOYSA-N -1 0 399.812 3.536 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C2CC2)c1C 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CC1(C)CCCc2sc([N-]S(=O)(=O)CCc3ccccc3[N+](=O)[O-])nc21 ZINC000562240223 934779532 /nfs/dbraw/zinc/77/95/32/934779532.db2.gz SFPQVMYYQZQDCK-UHFFFAOYSA-N -1 0 395.506 3.650 20 5 GHBDRM CCCc1csc([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1 ZINC000829742543 935854769 /nfs/dbraw/zinc/85/47/69/935854769.db2.gz NSCRFIIYMLIHFU-UHFFFAOYSA-N -1 0 379.822 3.597 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)c1 ZINC000830009093 935889846 /nfs/dbraw/zinc/88/98/46/935889846.db2.gz PQAYSWLGDYFKKX-ZDUSSCGKSA-N -1 0 396.852 3.861 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cn(C)nc2C2CCCCC2)cc([N+](=O)[O-])c1F ZINC000830043500 935893771 /nfs/dbraw/zinc/89/37/71/935893771.db2.gz XNTNMMODGPSZPG-UHFFFAOYSA-N -1 0 396.444 3.624 20 5 GHBDRM C[C@H]1CC2(CCC2)CN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000830479921 935954018 /nfs/dbraw/zinc/95/40/18/935954018.db2.gz LNZGEQFKEDFCCE-NSHDSACASA-N -1 0 390.827 3.544 20 5 GHBDRM CC[C@@]1(C(=O)[O-])CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC001589607747 949302225 /nfs/dbraw/zinc/30/22/25/949302225.db2.gz LUMNCQAGEWHZAP-CYBMUJFWSA-N -1 0 397.300 3.725 20 5 GHBDRM O=C([O-])c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])nc1 ZINC001595236699 949412442 /nfs/dbraw/zinc/41/24/42/949412442.db2.gz BKSIUEZNTPNEFZ-UHFFFAOYSA-N -1 0 393.355 3.519 20 5 GHBDRM O=C([O-])/C=C/c1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)co1 ZINC001594971083 950853459 /nfs/dbraw/zinc/85/34/59/950853459.db2.gz MXCHFMWTZJCGHV-SNAWJCMRSA-N -1 0 385.357 3.661 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000565917809 953617871 /nfs/dbraw/zinc/61/78/71/953617871.db2.gz RKYBVAOCBZPDPC-OAQYLSRUSA-N -1 0 384.432 3.665 20 5 GHBDRM C[C@H]1Cc2c(C(=O)[O-])c(NC(=O)Cc3cccc([N+](=O)[O-])c3)sc2[C@H](C)O1 ZINC001589411319 954517380 /nfs/dbraw/zinc/51/73/80/954517380.db2.gz OTYWHIHHOMYLRO-UWVGGRQHSA-N -1 0 390.417 3.558 20 5 GHBDRM Cc1ccc([C@@H](C)NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cc1[N+](=O)[O-] ZINC001594350145 958343893 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CJJLUOSKSQAUHF-ZIAGYGMSSA-N -1 0 385.420 3.783 20 5 GHBDRM CC[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])Oc1cccc(C(F)(F)F)c1 ZINC001595176748 979769947 /nfs/dbraw/zinc/76/99/47/979769947.db2.gz YZISFHVNWWAVPQ-NSHDSACASA-N -1 0 399.325 3.976 20 5 GHBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001595211906 979995718 /nfs/dbraw/zinc/99/57/18/979995718.db2.gz LBUVFBLBYRNRFV-KBXCAEBGSA-N -1 0 388.395 3.635 20 5 GHBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001595213604 980008427 /nfs/dbraw/zinc/00/84/27/980008427.db2.gz WEBKUPMTLRNMDP-ZDUSSCGKSA-N -1 0 381.388 3.982 20 5 GHBDRM CC[C@](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)(C(=O)[O-])c1ccccc1 ZINC001595266195 980280372 /nfs/dbraw/zinc/28/03/72/980280372.db2.gz SSFJMTAAXSSLTL-QGZVFWFLSA-N -1 0 396.321 3.734 20 5 GHBDRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)c1ccccc1 ZINC001594771220 981746510 /nfs/dbraw/zinc/74/65/10/981746510.db2.gz RYNUZBHWNKNAJF-MRXNPFEDSA-N -1 0 386.404 3.892 20 5 GHBDRM CCCCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])C(C)(C)C ZINC001595686744 982176251 /nfs/dbraw/zinc/17/62/51/982176251.db2.gz HRIPCVURKMWYSW-OAHLLOKOSA-N -1 0 386.470 3.566 20 5 GHBDRM CCCOc1cc(NC(=O)c2cc(C(=O)[O-])co2)c([N+](=O)[O-])cc1OCCC ZINC001595952369 983127611 /nfs/dbraw/zinc/12/76/11/983127611.db2.gz MUPBEDIYGNCNPB-UHFFFAOYSA-N -1 0 392.364 3.716 20 5 GHBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001595988044 983242253 /nfs/dbraw/zinc/24/22/53/983242253.db2.gz WMTGFZZGKAODQT-UHFFFAOYSA-N -1 0 386.429 3.951 20 5 GHBDRM CCN(CCCNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])C(=O)OC(C)(C)C ZINC001596328387 983764934 /nfs/dbraw/zinc/76/49/34/983764934.db2.gz RSXJTZNOWLAEPW-UHFFFAOYSA-N -1 0 381.429 3.660 20 5 GHBDRM C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1OC(F)F ZINC001599899797 984798552 /nfs/dbraw/zinc/79/85/52/984798552.db2.gz QENDQVZIIPMPCX-QMMMGPOBSA-N -1 0 398.293 3.525 20 5 GHBDRM CCOc1cc(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)c([N+](=O)[O-])cc1OC ZINC001597029066 986440803 /nfs/dbraw/zinc/44/08/03/986440803.db2.gz VZNCOYJTCSFNLD-UHFFFAOYSA-N -1 0 395.751 3.573 20 5 GHBDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC001589458752 986905115 /nfs/dbraw/zinc/90/51/15/986905115.db2.gz RNYKTYFOUXAYEP-MEBBXXQBSA-N -1 0 377.784 3.832 20 5 GHBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001597272961 987325179 /nfs/dbraw/zinc/32/51/79/987325179.db2.gz MEQFIIKRHULFGP-UHFFFAOYSA-N -1 0 382.344 3.936 20 5 GHBDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001589592730 987403331 /nfs/dbraw/zinc/40/33/31/987403331.db2.gz ASKXUJPGQHNTSK-SFHVURJKSA-N -1 0 397.431 3.515 20 5 GHBDRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001589704169 987808073 /nfs/dbraw/zinc/80/80/73/987808073.db2.gz CPHIVZLMWPNQOY-QGZVFWFLSA-N -1 0 385.420 3.958 20 5 GHBDRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001597465352 987903376 /nfs/dbraw/zinc/90/33/76/987903376.db2.gz UURWCYUVOPFOBM-UHFFFAOYSA-N -1 0 393.193 3.870 20 5 GHBDRM CCc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001597609255 988492657 /nfs/dbraw/zinc/49/26/57/988492657.db2.gz MKTZDOIFCMRRDK-UHFFFAOYSA-N -1 0 388.445 3.654 20 5 GHBDRM CC(C)(C)Oc1cccc(C[NH2+]Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001590420696 989966008 /nfs/dbraw/zinc/96/60/08/989966008.db2.gz YQOFGOCKQFZIAY-UHFFFAOYSA-N -1 0 388.420 3.525 20 5 GHBDRM CC(C)(NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC001590855131 990739674 /nfs/dbraw/zinc/73/96/74/990739674.db2.gz XFLNXSPZBWDJDS-UHFFFAOYSA-N -1 0 379.319 3.628 20 5 GHBDRM CC(C)[C@@H](CC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001590976440 991124964 /nfs/dbraw/zinc/12/49/64/991124964.db2.gz QJGFVBCWEXKKCH-WIYYLYMNSA-N -1 0 384.432 3.841 20 5 GHBDRM CC(C)[C@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])NC(=O)OC(C)(C)C 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20 5 GHBDRM COC(=O)c1cc(CSCc2ccc(OC)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1 ZINC001598934001 997827569 /nfs/dbraw/zinc/82/75/69/997827569.db2.gz BWPICPNUHKFSFA-UHFFFAOYSA-N -1 0 391.401 3.522 20 5 GHBDRM C[C@@]1(c2ccccc2)CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC001594079436 997967148 /nfs/dbraw/zinc/96/71/48/997967148.db2.gz FDAAJJVXQMADGV-OAQYLSRUSA-N -1 0 382.416 3.877 20 5 GHBDRM COc1cc(Br)ccc1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599347207 998028897 /nfs/dbraw/zinc/02/88/97/998028897.db2.gz DYYPGTYMYUPAAA-UHFFFAOYSA-N -1 0 381.182 3.676 20 5 GHBDRM COc1ccc(CCC2CCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC001599553536 998051182 /nfs/dbraw/zinc/05/11/82/998051182.db2.gz HXUXZWLLNDRAMY-UHFFFAOYSA-N -1 0 385.420 3.546 20 5 GHBDRM COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1scc(C(=O)[O-])c1C ZINC001599265491 998461738 /nfs/dbraw/zinc/46/17/38/998461738.db2.gz MPFRCAZNRSRFMW-UHFFFAOYSA-N -1 0 396.446 3.654 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(Cl)cc1OC(F)F ZINC000545827469 1016463610 /nfs/dbraw/zinc/46/36/10/1016463610.db2.gz KHCIPDYJDUWLEO-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@H](c2c(F)cccc2F)C1 ZINC001154570941 1032189677 /nfs/dbraw/zinc/18/96/77/1032189677.db2.gz MVOBUWAUALIFJP-VIFPVBQESA-N -1 0 382.750 3.862 20 5 GHBDRM COc1cc(/C=C\c2cc(C(=O)[O-])ccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000559941103 1017520985 /nfs/dbraw/zinc/52/09/85/1017520985.db2.gz ZJZCERKWWAPIEQ-IHWYPQMZSA-N -1 0 380.303 3.511 20 5 GHBDRM COc1ccc(-c2coc3cc([O-])cc(O[C@H](C[N+](=O)[O-])C4CC4)c3c2=O)cc1 ZINC001228364394 1032906965 /nfs/dbraw/zinc/90/69/65/1032906965.db2.gz YTODLSZMBMHFLP-LJQANCHMSA-N -1 0 397.383 3.608 20 5 GHBDRM Cn1ccnc1[C@@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000754774938 1022889085 /nfs/dbraw/zinc/88/90/85/1022889085.db2.gz BRSJLSBWNNTYRQ-QIBOZCLASA-N -1 0 378.388 3.628 20 5 GHBDRM CCc1c([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cnn1CCC(C)C ZINC000755029137 1023031635 /nfs/dbraw/zinc/03/16/35/1023031635.db2.gz FSRQPFPXIMISAR-UHFFFAOYSA-N -1 0 398.460 3.648 20 5 GHBDRM O=C(Nc1ccc(OC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1)c1ccc(F)cc1 ZINC000755241160 1023150331 /nfs/dbraw/zinc/15/03/31/1023150331.db2.gz NZLIEKRNMAIXOI-UHFFFAOYSA-N -1 0 396.330 3.911 20 5 GHBDRM CCOC(=O)c1cc2ccccc2cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001139334802 1026194126 /nfs/dbraw/zinc/19/41/26/1026194126.db2.gz WWPGZNTZKYDRRK-UHFFFAOYSA-N -1 0 380.356 3.883 20 5 GHBDRM COC(=O)c1cc(Br)cc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1C ZINC001210397692 1027487573 /nfs/dbraw/zinc/48/75/73/1027487573.db2.gz CVCKXASLJFEGCY-UHFFFAOYSA-N -1 0 381.182 3.902 20 5 GHBDRM O=[N+]([O-])c1cc(Nc2cc(-c3cccc(Br)n3)no2)ccc1[O-] ZINC001210396705 1027488124 /nfs/dbraw/zinc/48/81/24/1027488124.db2.gz XBMGXRSNCLPDKX-UHFFFAOYSA-N -1 0 377.154 3.857 20 5 GHBDRM CN(C)C(=O)c1cc(Br)ccc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210399125 1027489740 /nfs/dbraw/zinc/48/97/40/1027489740.db2.gz OIGKZKWUADWLCC-UHFFFAOYSA-N -1 0 380.198 3.508 20 5 GHBDRM CC1(C)CCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC001213873347 1028423487 /nfs/dbraw/zinc/42/34/87/1028423487.db2.gz CYZILTPGAMTKEM-MRXNPFEDSA-N -1 0 390.461 3.505 20 5 GHBDRM O=C1SCCN1Cc1ccccc1-c1noc(-c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC001215380441 1029181751 /nfs/dbraw/zinc/18/17/51/1029181751.db2.gz RSXMGFQKFLCHGZ-UHFFFAOYSA-N -1 0 398.400 3.686 20 5 GHBDRM O=[N+]([O-])c1cc([O-])cc(-c2nc(-c3ccc(F)cc3Br)no2)c1 ZINC001216924573 1030006179 /nfs/dbraw/zinc/00/61/79/1030006179.db2.gz QTXSXJWSMPFAHI-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2c(F)c(F)c([S-])c(F)c2F)n1 ZINC001217024087 1030100050 /nfs/dbraw/zinc/10/00/50/1030100050.db2.gz MESOTMQGQHMJMW-UHFFFAOYSA-N -1 0 390.249 3.691 20 5 GHBDRM O=C1CCOc2cc(-c3noc(-c4cc([O-])c(Cl)cc4[N+](=O)[O-])n3)ccc21 ZINC001217100166 1030164356 /nfs/dbraw/zinc/16/43/56/1030164356.db2.gz MKDHRTXKYSEMKL-UHFFFAOYSA-N -1 0 387.735 3.636 20 5 GHBDRM COc1cccc(-c2noc(-c3cc([O-])c(Cl)cc3[N+](=O)[O-])n2)c1OC ZINC001217101065 1030165702 /nfs/dbraw/zinc/16/57/02/1030165702.db2.gz IFIRAZUGVJDKIW-UHFFFAOYSA-N -1 0 377.740 3.688 20 5 GHBDRM Cn1ccc2ccc(-c3noc(-c4c[n-]c5ccc([N+](=O)[O-])cc5c4=O)n3)cc21 ZINC001217438258 1030392284 /nfs/dbraw/zinc/39/22/84/1030392284.db2.gz IIKJLCHIDCAVET-UHFFFAOYSA-N -1 0 387.355 3.645 20 5 GHBDRM COc1c(C)cc(-c2noc(-c3c[n-]c4ccc([N+](=O)[O-])cc4c3=O)n2)cc1C ZINC001217439137 1030393484 /nfs/dbraw/zinc/39/34/84/1030393484.db2.gz VJNHNPANTYYFMK-UHFFFAOYSA-N -1 0 392.371 3.779 20 5 GHBDRM Cc1cscc1NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001151452696 1030913072 /nfs/dbraw/zinc/91/30/72/1030913072.db2.gz NNGFTFVTQADAQK-UHFFFAOYSA-N -1 0 378.797 3.762 20 5 GHBDRM O=C(Nc1cc2cccnc2c2ncccc12)c1cc(=O)c2cccc(O)c2[n-]1 ZINC001152680005 1031323492 /nfs/dbraw/zinc/32/34/92/1031323492.db2.gz JBTLBQOBHRQBJO-UHFFFAOYSA-N -1 0 382.379 3.995 20 5 GHBDRM O=[N+]([O-])c1c([O-])cccc1O[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001225620933 1031512887 /nfs/dbraw/zinc/51/28/87/1031512887.db2.gz YBWQQFXRJYQZMT-CYBMUJFWSA-N -1 0 379.210 3.721 20 5 GHBDRM Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(Br)c([O-])c2)cc1[N+](=O)[O-] ZINC001154321856 1032039407 /nfs/dbraw/zinc/03/94/07/1032039407.db2.gz ZRZPFYZAHNIJLX-UHFFFAOYSA-N -1 0 396.153 3.532 20 5 GHBDRM CCCSc1nc(O[C@H](C)c2cccc(N(C)C)c2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229791552 1033718010 /nfs/dbraw/zinc/71/80/10/1033718010.db2.gz LCGYEEKAGONOQZ-LLVKDONJSA-N -1 0 378.454 3.799 20 5 GHBDRM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc21 ZINC001229797813 1033723207 /nfs/dbraw/zinc/72/32/07/1033723207.db2.gz OMCWAURAQKVQPO-LLVKDONJSA-N -1 0 395.371 3.532 20 5 GHBDRM O=c1oc2cc(OC[C@@H]3COc4cscc4O3)ccc2c2ccc([O-])cc12 ZINC001229797411 1033723980 /nfs/dbraw/zinc/72/39/80/1033723980.db2.gz ANAXJANNZOJCFJ-CYBMUJFWSA-N -1 0 382.393 3.932 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H](c2cccc(Br)c2)C1 ZINC001158648862 1034214375 /nfs/dbraw/zinc/21/43/75/1034214375.db2.gz OAZYMEPKRBHCLV-GFCCVEGCSA-N -1 0 391.221 3.693 20 5 GHBDRM CC(C)=CCc1c([O-])cc(OC[C@@H]2COCO2)c2c(=O)c3cccc(O)c3oc12 ZINC001234740186 1040266774 /nfs/dbraw/zinc/26/67/74/1040266774.db2.gz GLMBRVFSBDSQLV-ZDUSSCGKSA-N -1 0 398.411 3.618 20 5 GHBDRM O=C(N[C@@H](COc1ccccc1F)c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001291587020 1043351831 /nfs/dbraw/zinc/35/18/31/1043351831.db2.gz VGJLWIKIVTVUFW-SFHVURJKSA-N -1 0 396.374 3.990 20 5 GHBDRM O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC001292298826 1043671798 /nfs/dbraw/zinc/67/17/98/1043671798.db2.gz PFEGULQAEIILKH-UHFFFAOYSA-N -1 0 390.395 3.832 20 5 GHBDRM CC(=O)N1CCCc2cc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])ccc21 ZINC001292593890 1043798220 /nfs/dbraw/zinc/79/82/20/1043798220.db2.gz MMLDMDYXKRLBQM-UHFFFAOYSA-N -1 0 389.795 3.505 20 5 GHBDRM CCCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001293673597 1044288535 /nfs/dbraw/zinc/28/85/35/1044288535.db2.gz UCRXQSINNURVKC-IAGOWNOFSA-N -1 0 376.453 3.890 20 5 GHBDRM Cc1cc(C)n(Cc2ccc(-c3nnc(-c4cc([O-])cc([N+](=O)[O-])c4)o3)cc2)n1 ZINC001258001953 1044330937 /nfs/dbraw/zinc/33/09/37/1044330937.db2.gz IOZWMJGZFCSPTB-UHFFFAOYSA-N -1 0 391.387 3.879 20 5 GHBDRM C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001294607251 1044724869 /nfs/dbraw/zinc/72/48/69/1044724869.db2.gz CXVTUOHUJLYWFJ-SECBINFHSA-N -1 0 397.200 3.563 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC001298146089 1045714552 /nfs/dbraw/zinc/71/45/52/1045714552.db2.gz CZZITAYHAYPVLC-ZDUSSCGKSA-N -1 0 391.221 3.693 20 5 GHBDRM CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001305730378 1048233107 /nfs/dbraw/zinc/23/31/07/1048233107.db2.gz KTMRFXQQUPSNOY-NSHDSACASA-N -1 0 375.450 3.544 20 5 GHBDRM C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001307821385 1049615373 /nfs/dbraw/zinc/61/53/73/1049615373.db2.gz ZKPBAULUILUJJL-GFCCVEGCSA-N -1 0 379.819 3.804 20 5 GHBDRM O=c1ccn(-c2ccc(NCc3c(Br)cccc3[N+](=O)[O-])cc2)[n-]1 ZINC001308483804 1049986473 /nfs/dbraw/zinc/98/64/73/1049986473.db2.gz GXJAXORWCQKFLO-UHFFFAOYSA-N -1 0 389.209 3.861 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n(-c2cccc(C)c2)n1 ZINC001318189934 1054484948 /nfs/dbraw/zinc/48/49/48/1054484948.db2.gz SCNVCXVZZFTKIM-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccn(C3CCCCC3)n2)cc1[N+](=O)[O-] ZINC001320800133 1055967648 /nfs/dbraw/zinc/96/76/48/1055967648.db2.gz PAKULEGLGPFTQF-UHFFFAOYSA-N -1 0 382.417 3.545 20 5 GHBDRM O=[N+]([O-])c1sccc1S(=O)(=O)[N-]c1cccc(C2SCCS2)c1 ZINC001321103954 1056094626 /nfs/dbraw/zinc/09/46/26/1056094626.db2.gz YZIRQMSJQNLBGQ-UHFFFAOYSA-N -1 0 388.517 3.936 20 5 GHBDRM Cc1c([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cccc1[N+](=O)[O-] ZINC001325198931 1057288287 /nfs/dbraw/zinc/28/82/87/1057288287.db2.gz AIATVWXRHFROCM-UHFFFAOYSA-N -1 0 391.380 3.639 20 5 GHBDRM CCc1ccc([C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c2cccc(F)c2)cc1 ZINC001441048465 1058688140 /nfs/dbraw/zinc/68/81/40/1058688140.db2.gz LVUCCOOIJRWLKP-IBGZPJMESA-N -1 0 395.390 3.916 20 5 GHBDRM Cc1ccc(C)c(C2=NO[C@@H](C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)c1 ZINC001446834660 1059876720 /nfs/dbraw/zinc/87/67/20/1059876720.db2.gz KYESGDXWERRGMT-MRXNPFEDSA-N -1 0 389.795 3.702 20 5 GHBDRM CCOc1ccc(CN(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1OC ZINC001349443838 1063723963 /nfs/dbraw/zinc/72/39/63/1063723963.db2.gz NXPVQIQGAQLKGV-UHFFFAOYSA-N -1 0 394.811 3.633 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CSc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001458976651 1063973094 /nfs/dbraw/zinc/97/30/94/1063973094.db2.gz BTEYJKZQHCDBGO-UHFFFAOYSA-N -1 0 393.364 3.886 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(Cl)cc2)ccc1[O-] ZINC001463705255 1064560029 /nfs/dbraw/zinc/56/00/29/1064560029.db2.gz NXQFGACWDVFBIK-OAHLLOKOSA-N -1 0 396.852 3.870 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(N2CCCCCC2)nc1 ZINC001546162724 1067302230 /nfs/dbraw/zinc/30/22/30/1067302230.db2.gz UWTGTMRUHGZIRG-UHFFFAOYSA-N -1 0 390.827 3.982 20 5 GHBDRM O=C(Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001468896909 1067922095 /nfs/dbraw/zinc/92/20/95/1067922095.db2.gz PRXSPGOAXLQJLU-UHFFFAOYSA-N -1 0 382.351 3.959 20 5 GHBDRM Cc1c(CNC(=O)c2cc(Br)cc(Cl)c2[O-])cccc1[N+](=O)[O-] ZINC001472543820 1073541543 /nfs/dbraw/zinc/54/15/43/1073541543.db2.gz UWEGZLWCUZVLMY-UHFFFAOYSA-N -1 0 399.628 3.955 20 5 GHBDRM CC[C@H](CSc1ccccc1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001475122938 1074746367 /nfs/dbraw/zinc/74/63/67/1074746367.db2.gz VSZVMORZTLLYRD-GFCCVEGCSA-N -1 0 384.454 3.583 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@@H]2CCCc3sccc32)c1 ZINC001475169712 1074767505 /nfs/dbraw/zinc/76/75/05/1074767505.db2.gz SOHQIIUHUVBSLQ-LLVKDONJSA-N -1 0 390.845 3.805 20 5 GHBDRM CCCOc1ccc(C(C)(C)[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001475230330 1074796087 /nfs/dbraw/zinc/79/60/87/1074796087.db2.gz IIWLRCKSNUPHOG-UHFFFAOYSA-N -1 0 396.440 3.736 20 5 GHBDRM C[C@@H](NC(=O)c1ccc(N[C@@H]2CCCCc3ccccc32)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736656815 599707015 /nfs/dbraw/zinc/70/70/15/599707015.db2.gz MGBKHRQMKHQRKQ-CXAGYDPISA-N -1 0 397.431 3.677 20 5 GHBDRM O=C([O-])c1sc2ccccc2c1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000610852467 599871985 /nfs/dbraw/zinc/87/19/85/599871985.db2.gz RSCLKQFLJGGQHU-UHFFFAOYSA-N -1 0 399.428 3.626 20 5 GHBDRM COC(=O)c1ccc([N+](=O)[O-])c(OCc2c3ccccc3sc2C(=O)[O-])c1 ZINC000737701152 599908391 /nfs/dbraw/zinc/90/83/91/599908391.db2.gz DAFUXQOCJWLTBK-UHFFFAOYSA-N -1 0 387.369 3.873 20 5 GHBDRM O=C([O-])C1CCC(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000262624704 600074717 /nfs/dbraw/zinc/07/47/17/600074717.db2.gz DDLNWDAUVYBVHW-UHFFFAOYSA-N -1 0 397.431 3.580 20 5 GHBDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000737879541 600126303 /nfs/dbraw/zinc/12/63/03/600126303.db2.gz SPXVIEKIJNASGD-VURMDHGXSA-N -1 0 377.736 3.574 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738663826 600163679 /nfs/dbraw/zinc/16/36/79/600163679.db2.gz AOLFMPUTWKKVAH-UHFFFAOYSA-N -1 0 377.328 3.540 20 5 GHBDRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000739720003 600205423 /nfs/dbraw/zinc/20/54/23/600205423.db2.gz FWIZSDBZZNVSEJ-UHFFFAOYSA-N -1 0 398.749 3.644 20 5 GHBDRM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237534502 600213826 /nfs/dbraw/zinc/21/38/26/600213826.db2.gz NWDRILDQVBKXGY-JTQLQIEISA-N -1 0 396.321 3.673 20 5 GHBDRM O=C([O-])[C@H]1CC12CCN(C(=O)c1ccc(Nc3ccccc3)c([N+](=O)[O-])c1)CC2 ZINC000262442375 600272019 /nfs/dbraw/zinc/27/20/19/600272019.db2.gz OAJWGVBNCRBIDZ-MRXNPFEDSA-N -1 0 395.415 3.665 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2CCC(Cc3ccccc3F)CC2)cc([N+](=O)[O-])c1 ZINC000262803695 600276405 /nfs/dbraw/zinc/27/64/05/600276405.db2.gz NASRWJIWNPFMSZ-UHFFFAOYSA-N -1 0 386.379 3.527 20 5 GHBDRM C[C@H](Sc1nc2ccc(C(=O)[O-])cc2o1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000736715305 600277918 /nfs/dbraw/zinc/27/79/18/600277918.db2.gz CWJJUOJBVKOJEH-VIFPVBQESA-N -1 0 387.373 3.554 20 5 GHBDRM COC(=O)N(C)Cc1ccc(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000737631817 600313181 /nfs/dbraw/zinc/31/31/81/600313181.db2.gz RGFXEXDZYAZJNP-POHAHGRESA-N -1 0 385.376 3.634 20 5 GHBDRM CCOc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000737195712 600323163 /nfs/dbraw/zinc/32/31/63/600323163.db2.gz XFLMBLZWYFFQTO-OAHLLOKOSA-N -1 0 379.752 3.630 20 5 GHBDRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000736852330 600380628 /nfs/dbraw/zinc/38/06/28/600380628.db2.gz WAYHDPBCYMFURR-QGZVFWFLSA-N -1 0 383.404 3.679 20 5 GHBDRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000736297009 600390638 /nfs/dbraw/zinc/39/06/38/600390638.db2.gz CEUPZTROUZDGPW-AWEZNQCLSA-N -1 0 376.434 3.900 20 5 GHBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736472197 600401843 /nfs/dbraw/zinc/40/18/43/600401843.db2.gz MWPMTSOIVTZRBR-UHFFFAOYSA-N -1 0 375.356 3.875 20 5 GHBDRM O=C([O-])[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)cc1 ZINC000739499160 600406203 /nfs/dbraw/zinc/40/62/03/600406203.db2.gz GAEWUPGZTLVTJL-CQSZACIVSA-N -1 0 399.628 3.926 20 5 GHBDRM CNc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000539606008 600416167 /nfs/dbraw/zinc/41/61/67/600416167.db2.gz ONGCYWFSJCIZSB-QGZVFWFLSA-N -1 0 399.447 3.880 20 5 GHBDRM COc1ccc([N+](=O)[O-])c(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])c1 ZINC000738068422 600451914 /nfs/dbraw/zinc/45/19/14/600451914.db2.gz LBKBIADDORPASF-UHFFFAOYSA-N -1 0 378.406 3.913 20 5 GHBDRM CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000737267097 600461371 /nfs/dbraw/zinc/46/13/71/600461371.db2.gz LZQJPDWAZRVOCR-GFCCVEGCSA-N -1 0 386.404 3.824 20 5 GHBDRM Cc1ccc(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000237632951 600606678 /nfs/dbraw/zinc/60/66/78/600606678.db2.gz ZWLKAWHQGSKXSJ-LJQANCHMSA-N -1 0 392.411 3.730 20 5 GHBDRM Cc1cc(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000237867878 600607345 /nfs/dbraw/zinc/60/73/45/600607345.db2.gz ZOBONDXTDIVODD-IBGZPJMESA-N -1 0 392.411 3.730 20 5 GHBDRM CN(C)c1cc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])c2ccccc2n1 ZINC000830631634 600731525 /nfs/dbraw/zinc/73/15/25/600731525.db2.gz UANHIWGCUVQSAZ-NTMALXAHSA-N -1 0 392.415 3.919 20 5 GHBDRM O=C([O-])C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1 ZINC000833199440 600815773 /nfs/dbraw/zinc/81/57/73/600815773.db2.gz ZGGUZPXXQGGXDB-AWEZNQCLSA-N -1 0 383.187 3.847 20 5 GHBDRM Cn1ccnc1C[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000833059060 600826011 /nfs/dbraw/zinc/82/60/11/600826011.db2.gz UZLTVTONSHWLIT-LNENJAERSA-N -1 0 392.415 3.822 20 5 GHBDRM CN(Cc1cnn(-c2ccccc2)c1)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000737497006 600942612 /nfs/dbraw/zinc/94/26/12/600942612.db2.gz ONUKHZZFHNGRBX-UHFFFAOYSA-N -1 0 386.795 3.769 20 5 GHBDRM CC[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000236955795 600981008 /nfs/dbraw/zinc/98/10/08/600981008.db2.gz NJHFSJSVURGKTJ-KUHUBIRLSA-N -1 0 382.416 3.949 20 5 GHBDRM Cc1sc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000833034603 601151546 /nfs/dbraw/zinc/15/15/46/601151546.db2.gz ZERUDXDLYWNUIY-STQMWFEESA-N -1 0 389.433 3.856 20 5 GHBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000826044944 601170555 /nfs/dbraw/zinc/17/05/55/601170555.db2.gz NCHATAIOMBDODG-BMIGLBTASA-N -1 0 396.321 3.805 20 5 GHBDRM CCC[C@H](NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1 ZINC000829223325 601373466 /nfs/dbraw/zinc/37/34/66/601373466.db2.gz PWEGHOVWBUCGQY-GUYCJALGSA-N -1 0 386.404 3.718 20 5 GHBDRM O=C([O-])CSCc1cccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000833263682 601401593 /nfs/dbraw/zinc/40/15/93/601401593.db2.gz QGILQNSQKMMSAL-UHFFFAOYSA-N -1 0 380.809 3.818 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000540664589 601587000 /nfs/dbraw/zinc/58/70/00/601587000.db2.gz BCXOZIGMASHNJM-MEBBXXQBSA-N -1 0 394.836 3.671 20 5 GHBDRM CN(C)C(=O)Sc1ccc(COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000830569637 601782490 /nfs/dbraw/zinc/78/24/90/601782490.db2.gz QYGQFEHJPAEFOJ-UHFFFAOYSA-N -1 0 376.390 3.646 20 5 GHBDRM CC[C@H]1Oc2cc([C@@H](C)Nc3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)ccc2NC1=O ZINC000829170405 602321386 /nfs/dbraw/zinc/32/13/86/602321386.db2.gz QEICIVITQNCPBB-BDJLRTHQSA-N -1 0 399.403 3.884 20 5 GHBDRM O=C([O-])N1CCCc2cc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)ccc21 ZINC000740464261 602508600 /nfs/dbraw/zinc/50/86/00/602508600.db2.gz FFCUVHHBJARFHC-UHFFFAOYSA-N -1 0 380.360 3.759 20 5 GHBDRM CN(C(=O)[O-])c1ccc(OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000827914277 603050094 /nfs/dbraw/zinc/05/00/94/603050094.db2.gz LGVDJGMVJLCWIY-UHFFFAOYSA-N -1 0 384.266 3.947 20 5 GHBDRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1 ZINC000825422853 603184756 /nfs/dbraw/zinc/18/47/56/603184756.db2.gz LNYLXXJRFNWKOH-NSHDSACASA-N -1 0 375.406 3.654 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736711374 603454674 /nfs/dbraw/zinc/45/46/74/603454674.db2.gz AYJUVNKOZPXSPX-GFCCVEGCSA-N -1 0 389.433 3.524 20 5 GHBDRM CC[C@H](NC(=O)Nc1ccc(OC)c(NC(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000826613419 603681488 /nfs/dbraw/zinc/68/14/88/603681488.db2.gz JCRQHZQMXNUQNS-AWEZNQCLSA-N -1 0 388.380 3.966 20 5 GHBDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccccc1 ZINC000826102730 604392228 /nfs/dbraw/zinc/39/22/28/604392228.db2.gz GZYMPXZTKOZVOC-HNNXBMFYSA-N -1 0 376.796 3.830 20 5 GHBDRM CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000829772533 604453311 /nfs/dbraw/zinc/45/33/11/604453311.db2.gz YXCOIPHVPRAULI-LLVKDONJSA-N -1 0 389.433 3.575 20 5 GHBDRM C[C@H](Sc1ccccc1C(=O)N1CCCc2c([N+](=O)[O-])cccc21)C(=O)[O-] ZINC000833545180 604489158 /nfs/dbraw/zinc/48/91/58/604489158.db2.gz FGPGHHVTVUXYMW-LBPRGKRZSA-N -1 0 386.429 3.753 20 5 GHBDRM Cc1cc([C@H](C)OC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])oc1C(=O)[O-] ZINC000832876787 604575369 /nfs/dbraw/zinc/57/53/69/604575369.db2.gz RQHVTXUKFNCQCI-UWVGGRQHSA-N -1 0 397.767 3.920 20 5 GHBDRM Cc1cc([C@H](C)OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)oc1C(=O)[O-] ZINC000832873326 604577465 /nfs/dbraw/zinc/57/74/65/604577465.db2.gz BHBYWPHSCQNDGV-JTQLQIEISA-N -1 0 392.320 3.637 20 5 GHBDRM O=C([O-])c1cccc(NC2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)c1 ZINC000833331300 604640777 /nfs/dbraw/zinc/64/07/77/604640777.db2.gz AGMMYUYHTQXYND-UHFFFAOYSA-N -1 0 392.415 3.922 20 5 GHBDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000833415409 604790230 /nfs/dbraw/zinc/79/02/30/604790230.db2.gz VSTXFDGLLJOZPU-IBGZPJMESA-N -1 0 395.415 3.587 20 5 GHBDRM CC(C)(C)c1nc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)sc1C(=O)[O-] ZINC000833450615 605046434 /nfs/dbraw/zinc/04/64/34/605046434.db2.gz GBLBNYVOTSSBDN-UHFFFAOYSA-N -1 0 383.813 3.953 20 5 GHBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000431668030 605146920 /nfs/dbraw/zinc/14/69/20/605146920.db2.gz SZSLSRADLUFJMN-UHFFFAOYSA-N -1 0 390.417 3.811 20 5 GHBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000562398952 605172334 /nfs/dbraw/zinc/17/23/34/605172334.db2.gz BZSRHJHISVAZAG-UHFFFAOYSA-N -1 0 380.466 3.812 20 5 GHBDRM O=C([O-])C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000833772969 605310830 /nfs/dbraw/zinc/31/08/30/605310830.db2.gz NYNNTGGCUFINTQ-AWEZNQCLSA-N -1 0 382.294 3.559 20 5 GHBDRM O=C([O-])C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(C(F)(F)F)cc1 ZINC000833773233 605310938 /nfs/dbraw/zinc/31/09/38/605310938.db2.gz SATPKRVZESTLGD-JTQLQIEISA-N -1 0 388.323 3.621 20 5 GHBDRM C[C@@H](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824563612 605533396 /nfs/dbraw/zinc/53/33/96/605533396.db2.gz CCYAGKPZRNJACB-GOEBONIOSA-N -1 0 389.452 3.502 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(Br)c2)c1 ZINC000126849438 834707097 /nfs/dbraw/zinc/70/70/97/834707097.db2.gz XYGXZKMQMLUSMZ-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000471121743 834785613 /nfs/dbraw/zinc/78/56/13/834785613.db2.gz SXZCQKMJRUIXEP-UHFFFAOYSA-N -1 0 392.767 3.644 20 5 GHBDRM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187024964 834972401 /nfs/dbraw/zinc/97/24/01/834972401.db2.gz XFICZWOQOZPXRZ-GTNSWQLSSA-N -1 0 376.796 3.556 20 5 GHBDRM CCCOc1ccc(C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])c(C)c1 ZINC001211497113 835024381 /nfs/dbraw/zinc/02/43/81/835024381.db2.gz INPPQGBCXFNIKO-UHFFFAOYSA-N -1 0 384.479 3.540 20 5 GHBDRM Cc1cccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4[O-])CC3)oc21 ZINC000188473901 835879143 /nfs/dbraw/zinc/87/91/43/835879143.db2.gz YDJLCOJYINCLRT-UHFFFAOYSA-N -1 0 381.388 3.770 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O ZINC000511329677 835925447 /nfs/dbraw/zinc/92/54/47/835925447.db2.gz WMVQERYVLRLIAC-UHFFFAOYSA-N -1 0 377.205 3.716 20 5 GHBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000410410946 835936555 /nfs/dbraw/zinc/93/65/55/835936555.db2.gz ZYEURNJBPLWHKZ-UHFFFAOYSA-N -1 0 390.339 3.813 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1nc2c(s1)CCCCC2 ZINC000219637000 835946722 /nfs/dbraw/zinc/94/67/22/835946722.db2.gz RLTDEBADBSYKBC-UHFFFAOYSA-N -1 0 387.870 3.774 20 5 GHBDRM Cc1cc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1O ZINC000612997812 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XRBXPTXMWWUSFD-IBGZPJMESA-N -1 0 389.367 3.785 20 5 GHBDRM Cn1c2ccccc2c2cc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3O)ccc21 ZINC000610420663 839264096 /nfs/dbraw/zinc/26/40/96/839264096.db2.gz HUAQXBCFQLKQTQ-UHFFFAOYSA-N -1 0 397.412 3.746 20 5 GHBDRM CN(C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC000290737304 839565057 /nfs/dbraw/zinc/56/50/57/839565057.db2.gz OQADOGHCRFGATL-UHFFFAOYSA-N -1 0 393.421 3.986 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1C ZINC000064938209 839570056 /nfs/dbraw/zinc/57/00/56/839570056.db2.gz GCLJZJLJNNVNFS-UHFFFAOYSA-N -1 0 390.461 3.939 20 5 GHBDRM O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000127432708 844497620 /nfs/dbraw/zinc/49/76/20/844497620.db2.gz JBLFXQDMIBLMKS-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000110590564 840213423 /nfs/dbraw/zinc/21/34/23/840213423.db2.gz MTVCVLBPVWDYEF-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM 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ZINC000126821550 842131332 /nfs/dbraw/zinc/13/13/32/842131332.db2.gz QLMUELRSIYYTNI-UHFFFAOYSA-N -1 0 387.417 3.976 20 5 GHBDRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 ZINC000570266660 842267595 /nfs/dbraw/zinc/26/75/95/842267595.db2.gz BNSFYNILTQTUDU-UHFFFAOYSA-N -1 0 383.495 3.976 20 5 GHBDRM CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000512143627 842630225 /nfs/dbraw/zinc/63/02/25/842630225.db2.gz BQFSOCYBYBCHBY-VIFPVBQESA-N -1 0 378.834 3.878 20 5 GHBDRM CCCc1c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cnn1-c1ccc(C)cc1 ZINC000432559106 843149776 /nfs/dbraw/zinc/14/97/76/843149776.db2.gz QRKZVGOCBKYXHS-UHFFFAOYSA-N -1 0 380.404 3.999 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000159490690 843351633 /nfs/dbraw/zinc/35/16/33/843351633.db2.gz IEBLJJGDUJWDCP-GOSISDBHSA-N -1 0 398.440 3.738 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC000429896953 843898985 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ZINC000436778040 852312423 /nfs/dbraw/zinc/31/24/23/852312423.db2.gz POGAVKLYMLUMPQ-GFCCVEGCSA-N -1 0 376.434 3.530 20 5 GHBDRM O=C(NCc1cc(Oc2ccc(F)cc2)ccn1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436784425 852337862 /nfs/dbraw/zinc/33/78/62/852337862.db2.gz PXTUGQSXXOCLAC-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM CC(=O)c1ccc([O-])c(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000436828484 852378005 /nfs/dbraw/zinc/37/80/05/852378005.db2.gz QFBNFAWIUANCDR-UHFFFAOYSA-N -1 0 380.809 3.887 20 5 GHBDRM CCCc1c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cnn1-c1cccc(F)c1 ZINC000436834422 852385710 /nfs/dbraw/zinc/38/57/10/852385710.db2.gz PAUUYUVPAZKNEW-UHFFFAOYSA-N -1 0 384.367 3.830 20 5 GHBDRM COCCC[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000436819826 852389116 /nfs/dbraw/zinc/38/91/16/852389116.db2.gz OOMIEMYJTRFIHR-HNNXBMFYSA-N -1 0 392.839 3.894 20 5 GHBDRM Cc1ccccc1-n1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c2c1CCC2 ZINC000436850818 852417121 /nfs/dbraw/zinc/41/71/21/852417121.db2.gz IVZQPRRHMSIEKV-UHFFFAOYSA-N -1 0 378.388 3.536 20 5 GHBDRM O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436869614 852434538 /nfs/dbraw/zinc/43/45/38/852434538.db2.gz NARQCMSJMAQAKD-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM COc1ccc(CCC2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)cc1 ZINC000436942116 852522681 /nfs/dbraw/zinc/52/26/81/852522681.db2.gz APSRJNGVFHCKEV-UHFFFAOYSA-N -1 0 384.432 3.794 20 5 GHBDRM O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436947221 852528093 /nfs/dbraw/zinc/52/80/93/852528093.db2.gz FWIQUEIJKIWZID-UHFFFAOYSA-N -1 0 391.355 3.878 20 5 GHBDRM CCOCCOc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436962169 852532729 /nfs/dbraw/zinc/53/27/29/852532729.db2.gz BIEGHPQEBYGJMZ-UHFFFAOYSA-N -1 0 380.784 3.621 20 5 GHBDRM O=C(Nc1cccc2c1CN(c1nccs1)C2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436958029 852547346 /nfs/dbraw/zinc/54/73/46/852547346.db2.gz CJNRJDIQOHZEKW-UHFFFAOYSA-N -1 0 382.401 3.529 20 5 GHBDRM O=C(NCCOCc1ccc(Cl)cc1Cl)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507367816 852846638 /nfs/dbraw/zinc/84/66/38/852846638.db2.gz HLVYYWSUMDZGOV-UHFFFAOYSA-N -1 0 385.203 3.554 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000466957598 853202232 /nfs/dbraw/zinc/20/22/32/853202232.db2.gz KBPAHPBJDFLYJM-UHFFFAOYSA-N -1 0 395.231 3.667 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1N1CCCC1 ZINC000518332420 853217158 /nfs/dbraw/zinc/21/71/58/853217158.db2.gz ZADOWGIDQVUAEF-UHFFFAOYSA-N -1 0 375.450 3.558 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc2[nH]c(C(C)(C)C)nc2c1 ZINC000467418935 854083363 /nfs/dbraw/zinc/08/33/63/854083363.db2.gz PALVQXDPNUIGIF-UHFFFAOYSA-N -1 0 388.449 3.878 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)s3)[nH]n2)ccc1[N+](=O)[O-] ZINC000536308890 854724839 /nfs/dbraw/zinc/72/48/39/854724839.db2.gz SWYJCKVDAWUXTD-UHFFFAOYSA-N -1 0 398.853 3.809 20 5 GHBDRM Cc1cc(C)n(-c2ccc([C@H](C)Nc3nc(C)cc(C(=O)[O-])c3[N+](=O)[O-])cc2)n1 ZINC000572605505 854858521 /nfs/dbraw/zinc/85/85/21/854858521.db2.gz MQNKUKJLGMYQIX-AWEZNQCLSA-N -1 0 395.419 3.972 20 5 GHBDRM Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000589557954 855025522 /nfs/dbraw/zinc/02/55/22/855025522.db2.gz MAGDFFOCUPIVGZ-UHFFFAOYSA-N -1 0 395.746 3.771 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c(Cl)c1 ZINC000057120235 855223511 /nfs/dbraw/zinc/22/35/11/855223511.db2.gz STPKLPZZEICRHM-UHFFFAOYSA-N -1 0 396.837 3.568 20 5 GHBDRM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000462300895 855395113 /nfs/dbraw/zinc/39/51/13/855395113.db2.gz WCVRFALMRLUDOE-SECBINFHSA-N -1 0 375.233 3.941 20 5 GHBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000590425063 855403225 /nfs/dbraw/zinc/40/32/25/855403225.db2.gz YEUVFGSRZRXCMK-UHFFFAOYSA-N -1 0 380.322 3.634 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O ZINC000542732545 855581688 /nfs/dbraw/zinc/58/16/88/855581688.db2.gz 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O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001136219163 896702842 /nfs/dbraw/zinc/70/28/42/896702842.db2.gz LPILLIHDBAQATM-KRWDZBQOSA-N -1 0 389.839 3.521 20 5 GHBDRM O=c1[nH]c(C(Cl)=Cc2ccc([N+](=O)[O-])c([O-])c2)nc2ccc(Cl)cc12 ZINC000129534227 896722467 /nfs/dbraw/zinc/72/24/67/896722467.db2.gz ZLMUZNZDFAPGMO-VZUCSPMQSA-N -1 0 378.171 3.927 20 5 GHBDRM O=C([O-])[C@]1(C(F)(F)F)CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000567985462 897523177 /nfs/dbraw/zinc/52/31/77/897523177.db2.gz YRGVHABTRKTRMZ-AWEZNQCLSA-N -1 0 387.339 3.562 20 5 GHBDRM O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1CC[C@@H]2CCCC[C@@H]21 ZINC000843938375 900381758 /nfs/dbraw/zinc/38/17/58/900381758.db2.gz FMFSBFKYDIYMSE-AAEUAGOBSA-N -1 0 390.827 3.544 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C(F)(F)F)c1 ZINC000577397120 902737907 /nfs/dbraw/zinc/73/79/07/902737907.db2.gz GMPVJOLZBBPESH-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM O=C(Nc1ccc(OCCc2ccccc2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001146498830 903546590 /nfs/dbraw/zinc/54/65/90/903546590.db2.gz QNAKKTOCZGHWLB-UHFFFAOYSA-N -1 0 379.372 3.569 20 5 GHBDRM COc1cccc(-c2ccc(CNC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc2)c1 ZINC001146567785 903566472 /nfs/dbraw/zinc/56/64/72/903566472.db2.gz VMJOEWGOPLGTTN-UHFFFAOYSA-N -1 0 378.384 3.906 20 5 GHBDRM O=C(Nc1ccc(Br)c2ncccc12)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001147663594 903843742 /nfs/dbraw/zinc/84/37/42/903843742.db2.gz ZLPKPRPUWLJTGQ-UHFFFAOYSA-N -1 0 388.177 3.863 20 5 GHBDRM COc1cccc(C2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)c1 ZINC000578653748 904029647 /nfs/dbraw/zinc/02/96/47/904029647.db2.gz JILLSPPFAQTEIM-UHFFFAOYSA-N -1 0 390.823 3.982 20 5 GHBDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000773273011 904641102 /nfs/dbraw/zinc/64/11/02/904641102.db2.gz DMXRFEGMKSOHFM-UHFFFAOYSA-N -1 0 388.854 3.780 20 5 GHBDRM COC(=O)c1ccc(C(F)(F)F)cc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504337 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ZINC000753400841 929334816 /nfs/dbraw/zinc/33/48/16/929334816.db2.gz VVUNJHDQFWUUDD-AWEZNQCLSA-N -1 0 398.440 3.665 20 5 GHBDRM CCCN1Cc2cccc([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)c2C1 ZINC000544675668 929426315 /nfs/dbraw/zinc/42/63/15/929426315.db2.gz RIESXMBSPREKIS-UHFFFAOYSA-N -1 0 389.477 3.738 20 5 GHBDRM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000469252917 929736979 /nfs/dbraw/zinc/73/69/79/929736979.db2.gz VLDCCWVNGXGCFR-LBPRGKRZSA-N -1 0 380.422 3.582 20 5 GHBDRM CCOC(=O)Nc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000758468873 930054924 /nfs/dbraw/zinc/05/49/24/930054924.db2.gz XYGHQRXSZSAOJY-UHFFFAOYSA-N -1 0 379.756 3.775 20 5 GHBDRM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1O ZINC000470455538 930630495 /nfs/dbraw/zinc/63/04/95/930630495.db2.gz LPPITLDCMOFLIA-UHFFFAOYSA-N -1 0 382.781 3.809 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)ccc1[N+](=O)[O-] ZINC000547327039 930920247 /nfs/dbraw/zinc/92/02/47/930920247.db2.gz SIXJHAQPCPGIJP-UHFFFAOYSA-N -1 0 383.385 3.998 20 5 GHBDRM COc1cc(C)cc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)c1C ZINC000782484711 931238800 /nfs/dbraw/zinc/23/88/00/931238800.db2.gz KVWAHPHYYVIHCD-UHFFFAOYSA-N -1 0 384.841 3.983 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](C1CCCCC1)C(F)(F)F ZINC000784356247 931867038 /nfs/dbraw/zinc/86/70/38/931867038.db2.gz ZQVSOVHXRLXYRE-ZDUSSCGKSA-N -1 0 384.351 3.523 20 5 GHBDRM CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000777771100 933352211 /nfs/dbraw/zinc/35/22/11/933352211.db2.gz IDDVIKOTEQOYAT-UHFFFAOYSA-N -1 0 399.831 3.539 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)c([N+](=O)[O-])c1 ZINC000561706779 934383298 /nfs/dbraw/zinc/38/32/98/934383298.db2.gz LQKKJJOESNCDEZ-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM C[C@H](NC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000562426786 934860088 /nfs/dbraw/zinc/86/00/88/934860088.db2.gz MTLGGIXTMYVVIM-VFZGTOFNSA-N -1 0 395.774 3.573 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC001137716298 935744124 /nfs/dbraw/zinc/74/41/24/935744124.db2.gz BIRJNURQQKAZRW-PKOBYXMFSA-N -1 0 384.432 3.809 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)cc1[N+](=O)[O-] ZINC000830008485 935889538 /nfs/dbraw/zinc/88/95/38/935889538.db2.gz CPNWBEDFZCAEMX-ZDUSSCGKSA-N -1 0 396.852 3.861 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001589561292 948813166 /nfs/dbraw/zinc/81/31/66/948813166.db2.gz QKFDSDWNFAIBOY-CCKFTAQKSA-N -1 0 382.416 3.593 20 5 GHBDRM O=C([O-])[C@@H]1CN(c2cccc(Br)c2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC001595190239 952277889 /nfs/dbraw/zinc/27/78/89/952277889.db2.gz BQQPPIAAZVMIQO-QWHCGFSZSA-N -1 0 391.221 3.662 20 5 GHBDRM O=C([O-])[C@@H]1C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)c2ccccc21 ZINC001594811447 953829083 /nfs/dbraw/zinc/82/90/83/953829083.db2.gz SXPZFJGDFVNFKH-YPMHNXCESA-N -1 0 375.768 3.683 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594307867 957984085 /nfs/dbraw/zinc/98/40/85/957984085.db2.gz XLWYVONOGIHVMT-CQSZACIVSA-N -1 0 381.747 3.643 20 5 GHBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC001594251967 959615911 /nfs/dbraw/zinc/61/59/11/959615911.db2.gz CASWGHBXZVBXSK-UHFFFAOYSA-N -1 0 393.193 3.545 20 5 GHBDRM O=C([O-])c1ccc(COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC001574539542 961941596 /nfs/dbraw/zinc/94/15/96/961941596.db2.gz HYQUCOCGQAPEQA-UHFFFAOYSA-N -1 0 387.391 3.596 20 5 GHBDRM O=C([O-])[C@H]1CN(c2c(Br)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC001574662027 962495381 /nfs/dbraw/zinc/49/53/81/962495381.db2.gz WPSOVIGUEODCNP-LBPRGKRZSA-N -1 0 377.194 3.546 20 5 GHBDRM O=C([O-])[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCCC1 ZINC001605900511 972723123 /nfs/dbraw/zinc/72/31/23/972723123.db2.gz DKVSADHXJQQEQF-AWEZNQCLSA-N -1 0 375.406 3.548 20 5 GHBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(Br)cc1F ZINC001625818449 1014202016 /nfs/dbraw/zinc/20/20/16/1014202016.db2.gz VAIZHBJDIIGUKA-MRVPVSSYSA-N -1 0 383.173 3.693 20 5 GHBDRM C[C@@H](C[C@H]1CCOC1)Nc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001592464718 978203145 /nfs/dbraw/zinc/20/31/45/978203145.db2.gz XSLZCRMMVJDEQK-UONOGXRCSA-N -1 0 398.415 3.751 20 5 GHBDRM CC[C@](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595264723 980271579 /nfs/dbraw/zinc/27/15/79/980271579.db2.gz DCVGXQYNJYFPAT-QGZVFWFLSA-N -1 0 398.749 3.646 20 5 GHBDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001595360288 980750592 /nfs/dbraw/zinc/75/05/92/980750592.db2.gz GANBLNDFIOVYJP-SFHVURJKSA-N -1 0 397.431 3.847 20 5 GHBDRM CC[C@@](C)(NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)c1nccs1 ZINC001594841715 982057156 /nfs/dbraw/zinc/05/71/56/982057156.db2.gz LQDRIHTUGBAYKD-MRXNPFEDSA-N -1 0 378.410 3.505 20 5 GHBDRM CCCCOc1cc(OC)ccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001595774472 982532883 /nfs/dbraw/zinc/53/28/83/982532883.db2.gz UMJORBXXEPRYHB-UHFFFAOYSA-N -1 0 388.376 3.733 20 5 GHBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001595792824 982594197 /nfs/dbraw/zinc/59/41/97/982594197.db2.gz ZDFGYNCKMCKACR-HNNXBMFYSA-N -1 0 392.477 3.814 20 5 GHBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001595987304 983237835 /nfs/dbraw/zinc/23/78/35/983237835.db2.gz BKWCCDHCUVBJJY-UHFFFAOYSA-N -1 0 386.429 3.998 20 5 GHBDRM CCNc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)cc1[N+](=O)[O-] ZINC001596501102 984252650 /nfs/dbraw/zinc/25/26/50/984252650.db2.gz CKFQULHKNPDWEG-HNNXBMFYSA-N -1 0 378.768 3.663 20 5 GHBDRM CCNc1ccc(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001596501523 984256220 /nfs/dbraw/zinc/25/62/20/984256220.db2.gz YJTWYBMDWRRVMC-UHFFFAOYSA-N -1 0 375.406 3.699 20 5 GHBDRM C/C(=C/C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001588939206 984627868 /nfs/dbraw/zinc/62/78/68/984627868.db2.gz LZQAQZDEOCEPKP-IMTHGLKYSA-N -1 0 386.379 3.644 20 5 GHBDRM CC(=O)N(c1ccc(Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1)[C@@H]1C[C@@H]1C ZINC001589051377 985138353 /nfs/dbraw/zinc/13/83/53/985138353.db2.gz GYGMFXXCHROZOT-MGPLVRAMSA-N -1 0 384.392 3.501 20 5 GHBDRM Cc1c(Br)cc(C(=O)Nc2cc(C(=O)[O-])cs2)cc1[N+](=O)[O-] ZINC001599970913 986004583 /nfs/dbraw/zinc/00/45/83/986004583.db2.gz PNIPLGDBJHHVJZ-UHFFFAOYSA-N -1 0 385.195 3.678 20 5 GHBDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001597009660 986345236 /nfs/dbraw/zinc/34/52/36/986345236.db2.gz OLQNHHNMCOUBAM-SNVBAGLBSA-N -1 0 376.340 3.573 20 5 GHBDRM CCOc1cc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001597043470 986500519 /nfs/dbraw/zinc/50/05/19/986500519.db2.gz VNETYTDPKPRION-LLVKDONJSA-N -1 0 390.417 3.811 20 5 GHBDRM CC(C)(C(=O)[O-])[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001589593225 987407134 /nfs/dbraw/zinc/40/71/34/987407134.db2.gz ZSLJADHUVCHLSV-KZNAEPCWSA-N -1 0 382.416 3.667 20 5 GHBDRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001589616434 987479948 /nfs/dbraw/zinc/47/99/48/987479948.db2.gz CCMWKRIMIIGVIT-UHFFFAOYSA-N -1 0 376.796 3.754 20 5 GHBDRM CC(C)(C)[C@@H](NC(=O)COc1ccc(C(=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC001589712643 987848060 /nfs/dbraw/zinc/84/80/60/987848060.db2.gz DANMNNGWMKVWHR-INIZCTEOSA-N -1 0 392.433 3.637 20 5 GHBDRM CSc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC001599821876 988527929 /nfs/dbraw/zinc/52/79/29/988527929.db2.gz LBIAGIDEVLOGOY-ZDUSSCGKSA-N -1 0 398.799 3.665 20 5 GHBDRM CSc1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)c1[N+](=O)[O-] ZINC001599821881 988528612 /nfs/dbraw/zinc/52/86/12/988528612.db2.gz LETIVVDJMBAHRG-CQSZACIVSA-N -1 0 381.793 3.953 20 5 GHBDRM CC(C)(C)OC(=O)N[C@H]1C[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCC2 ZINC001590137950 989389885 /nfs/dbraw/zinc/38/98/85/989389885.db2.gz CBIOWIAMHSVELZ-CABCVRRESA-N -1 0 391.424 3.541 20 5 GHBDRM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001590147924 989435726 /nfs/dbraw/zinc/43/57/26/989435726.db2.gz NDOKDLMKPUISDV-CHWSQXEVSA-N -1 0 379.413 3.541 20 5 GHBDRM CC(C)(C)OC(=O)NCCCCCCOc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001590184826 989535317 /nfs/dbraw/zinc/53/53/17/989535317.db2.gz JYCLLECZQKPJDJ-UHFFFAOYSA-N -1 0 382.413 3.757 20 5 GHBDRM CC(C)(c1ccc(F)cc1)C1(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC001590908537 990876056 /nfs/dbraw/zinc/87/60/56/990876056.db2.gz GYKDHAKRWZBZCE-UHFFFAOYSA-N -1 0 386.379 3.672 20 5 GHBDRM COc1ccccc1C[C@@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)[O-] ZINC001599707275 991311868 /nfs/dbraw/zinc/31/18/68/991311868.db2.gz KMDOOCUEFLLTIT-LBPRGKRZSA-N -1 0 398.337 3.978 20 5 GHBDRM COc1ccccc1C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)F)C(=O)[O-] ZINC001599707831 991320042 /nfs/dbraw/zinc/32/00/42/991320042.db2.gz RHUOVCDSZMLRJO-LBPRGKRZSA-N -1 0 380.347 3.896 20 5 GHBDRM CN(Cc1cc(Br)cs1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598504749 992487228 /nfs/dbraw/zinc/48/72/28/992487228.db2.gz HNNLPKFIOQVPBR-UHFFFAOYSA-N -1 0 385.239 3.749 20 5 GHBDRM C[C@H](NC(=O)c1ccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170871 994028623 /nfs/dbraw/zinc/02/86/23/994028623.db2.gz QDMXYJFHTIQRDU-TTZDDIAXSA-N -1 0 389.452 3.569 20 5 GHBDRM CC(C)c1ccc(CNc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001593171388 994030430 /nfs/dbraw/zinc/03/04/30/994030430.db2.gz UYLUKSVZWXPHJT-ZDUSSCGKSA-N -1 0 385.420 3.533 20 5 GHBDRM COc1cccc(COC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])c1 ZINC001599675318 994887376 /nfs/dbraw/zinc/88/73/76/994887376.db2.gz FDEJOKPUSCQTOA-UHFFFAOYSA-N -1 0 391.401 3.527 20 5 GHBDRM C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593692340 996138566 /nfs/dbraw/zinc/13/85/66/996138566.db2.gz BFBBZLXHMSZBKS-LLVKDONJSA-N -1 0 380.347 3.529 20 5 GHBDRM CC1(C)CCC[C@@](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])(C(=O)[O-])C1 ZINC001593892027 996739589 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CC1CCN(c2ccc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2)CC1 ZINC001594435039 999614713 /nfs/dbraw/zinc/61/47/13/999614713.db2.gz JPOWSIMKLSMWEX-UHFFFAOYSA-N -1 0 383.404 3.782 20 5 GHBDRM O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@H]2CC[C@H](OCc3ccccc3)C2)[n-]1 ZINC001227095122 1032267813 /nfs/dbraw/zinc/26/78/13/1032267813.db2.gz NHBHBHUXRGPTFG-HOTGVXAUSA-N -1 0 381.388 3.760 20 5 GHBDRM CC1=C(Oc2ccc3c(c2)oc2c3c(=O)oc3cc([O-])ccc23)C(=O)O[C@H]1C ZINC001227518737 1032450917 /nfs/dbraw/zinc/45/09/17/1032450917.db2.gz SVWADIJUVONHSW-JTQLQIEISA-N -1 0 378.336 3.996 20 5 GHBDRM Cc1ccccc1-c1n[n-]c(=NCc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000562239143 1018081700 /nfs/dbraw/zinc/08/17/00/1018081700.db2.gz KJMDZUQDFOMAPT-UHFFFAOYSA-N -1 0 376.319 3.589 20 5 GHBDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000567552452 1019311965 /nfs/dbraw/zinc/31/19/65/1019311965.db2.gz NRANSJUVDJMLQO-OAHLLOKOSA-N -1 0 387.392 3.673 20 5 GHBDRM CC(C)(C)OC(=O)N1CCc2c1cccc2NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779669043 1020913213 /nfs/dbraw/zinc/91/32/13/1020913213.db2.gz FHHYBSNXLWLYNA-UHFFFAOYSA-N -1 0 399.403 3.850 20 5 GHBDRM CCN(CC)C(=O)[C@@H](Oc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)c1ccccc1 ZINC001228673351 1033037306 /nfs/dbraw/zinc/03/73/06/1033037306.db2.gz GIXXCKBVRGZOHT-SFHVURJKSA-N -1 0 382.420 3.768 20 5 GHBDRM COC(=O)c1ccc([C@@H](C)Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])cc1 ZINC001228861835 1033145242 /nfs/dbraw/zinc/14/52/42/1033145242.db2.gz HVKYVWVSPPRPRZ-MRVPVSSYSA-N -1 0 386.282 3.641 20 5 GHBDRM COc1ccccc1[C@H]([N-]c1c([N+](=O)[O-])cc[n+]([O-])c1Cl)C(F)(F)F ZINC001162899992 1025958746 /nfs/dbraw/zinc/95/87/46/1025958746.db2.gz WPGDHFCCNLKWQL-LBPRGKRZSA-N -1 0 377.706 3.606 20 5 GHBDRM Cc1cc(C)cc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1 ZINC001209891817 1027265498 /nfs/dbraw/zinc/26/54/98/1027265498.db2.gz XPWLMRDBKJFFBM-UHFFFAOYSA-N -1 0 386.832 3.525 20 5 GHBDRM CC(C)(C)OC(=O)N1CCC[C@H]1c1cc([N-]c2ccc([N+](=O)[O-])nc2)on1 ZINC001203569446 1027440910 /nfs/dbraw/zinc/44/09/10/1027440910.db2.gz FRXBVGXYLKEKFX-ZDUSSCGKSA-N -1 0 375.385 3.793 20 5 GHBDRM O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC001142470400 1028975596 /nfs/dbraw/zinc/97/55/96/1028975596.db2.gz ZTTAAVGYJPTDAD-OAHLLOKOSA-N -1 0 378.331 3.709 20 5 GHBDRM CS(=O)(=O)c1ccc([O-])c(Nc2c(Cl)ccc([N+](=O)[O-])c2Cl)c1 ZINC001215582853 1029292710 /nfs/dbraw/zinc/29/27/10/1029292710.db2.gz MGUCOVLATMQWAJ-UHFFFAOYSA-N -1 0 377.205 3.754 20 5 GHBDRM COc1cc(-c2noc(-c3cccc([N+](=O)[O-])c3[O-])n2)ccc1-n1cnc(C)c1 ZINC001216700857 1029734586 /nfs/dbraw/zinc/73/45/86/1029734586.db2.gz QNCYUMLUSVTIEB-UHFFFAOYSA-N -1 0 393.359 3.520 20 5 GHBDRM Cc1nc2cc(-c3noc(-c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4[O-])n3)ccc2s1 ZINC001216711836 1029900715 /nfs/dbraw/zinc/90/07/15/1029900715.db2.gz PWPDGWXPILSDET-UHFFFAOYSA-N -1 0 399.344 3.844 20 5 GHBDRM 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CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(Br)c1[O-] ZINC001298824709 1045956138 /nfs/dbraw/zinc/95/61/38/1045956138.db2.gz PRGGGFGRTNTJGX-UHFFFAOYSA-N -1 0 381.182 3.714 20 5 GHBDRM COc1ccccc1[C@@H]1CSCCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001303349783 1047368442 /nfs/dbraw/zinc/36/84/42/1047368442.db2.gz VHEDMTXYEYBJKF-INIZCTEOSA-N -1 0 388.445 3.629 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@H](CNc2ccc(Cl)cc2)C1 ZINC001303918717 1047534532 /nfs/dbraw/zinc/53/45/32/1047534532.db2.gz UQNDSJHLUAPAQY-CYBMUJFWSA-N -1 0 389.839 3.918 20 5 GHBDRM CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001305729958 1048233080 /nfs/dbraw/zinc/23/30/80/1048233080.db2.gz JBAWBMWMAPMGDO-LLVKDONJSA-N -1 0 375.450 3.544 20 5 GHBDRM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001309280032 1050550703 /nfs/dbraw/zinc/55/07/03/1050550703.db2.gz KHXLVMBBUJNAJA-NEPJUHHUSA-N -1 0 396.893 3.730 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCC[C@H](c3ccccc3)CC2)ccc1[O-] ZINC001309900383 1051033080 /nfs/dbraw/zinc/03/30/80/1051033080.db2.gz HNLOUJYRQFPZHS-HOTGVXAUSA-N -1 0 390.461 3.695 20 5 GHBDRM O=C([O-])c1cc(/C=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)nc2cc(F)ccc21 ZINC001317993179 1054342291 /nfs/dbraw/zinc/34/22/91/1054342291.db2.gz QQFWQFDXWRJPLC-HNQUOIGGSA-N -1 0 396.330 3.922 20 5 GHBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)ccc1Cl ZINC001319704870 1055413812 /nfs/dbraw/zinc/41/38/12/1055413812.db2.gz FOVWVPFNBNCYEC-UHFFFAOYSA-N -1 0 382.612 3.751 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])ccc1Br ZINC001320946262 1056028223 /nfs/dbraw/zinc/02/82/23/1056028223.db2.gz FQMHXFMEKKSRNO-UHFFFAOYSA-N -1 0 377.241 3.528 20 5 GHBDRM O=[N+]([O-])c1sccc1S(=O)(=O)[N-]c1ccc(Oc2ccncc2)cc1 ZINC001326698220 1057537127 /nfs/dbraw/zinc/53/71/27/1057537127.db2.gz MAFFDKFZESROQF-UHFFFAOYSA-N -1 0 377.403 3.644 20 5 GHBDRM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC001338176295 1058436428 /nfs/dbraw/zinc/43/64/28/1058436428.db2.gz MFHUWJDDUTWRBI-UHFFFAOYSA-N -1 0 386.433 3.666 20 5 GHBDRM CCOC(=O)N(C)c1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC001442038556 1058906895 /nfs/dbraw/zinc/90/68/95/1058906895.db2.gz YFIGEOMVJLMUSX-UHFFFAOYSA-N -1 0 393.783 3.799 20 5 GHBDRM CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001446824364 1059873156 /nfs/dbraw/zinc/87/31/56/1059873156.db2.gz MQOFRHVKXJNJDZ-JDNHERCYSA-N -1 0 382.775 3.599 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2cccc([O-])c2Br)c1F ZINC001449937420 1060486747 /nfs/dbraw/zinc/48/67/47/1060486747.db2.gz LHUFBVDHVHNYRY-UHFFFAOYSA-N -1 0 387.136 3.902 20 5 GHBDRM Cc1c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cnn1-c1ccccc1F ZINC001466212413 1066038062 /nfs/dbraw/zinc/03/80/62/1066038062.db2.gz TVIOTAFEQQRQCF-UHFFFAOYSA-N -1 0 390.758 3.839 20 5 GHBDRM COc1cc(OC)cc(C2(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])CCCC2)c1 ZINC001466628820 1066222356 /nfs/dbraw/zinc/22/23/56/1066222356.db2.gz HLUJHYFWLFOHCH-UHFFFAOYSA-N -1 0 386.404 3.768 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cnn(-c2ccc(F)cc2)c1 ZINC001546162637 1067298040 /nfs/dbraw/zinc/29/80/40/1067298040.db2.gz QWVQAVAPUAPTBL-UHFFFAOYSA-N -1 0 376.731 3.531 20 5 GHBDRM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001460302499 1068914865 /nfs/dbraw/zinc/91/48/65/1068914865.db2.gz ZKHLBGDWIGSTJI-MGPQQGTHSA-N -1 0 379.457 3.519 20 5 GHBDRM C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(C(F)(F)F)nc1 ZINC001471706646 1073189498 /nfs/dbraw/zinc/18/94/98/1073189498.db2.gz YUVUTZYYUZSNGB-SSDOTTSWSA-N -1 0 389.717 3.859 20 5 GHBDRM O=C(NCc1ccccc1[N+](=O)[O-])c1cc(Cl)cc(Br)c1[O-] ZINC001472492574 1073510968 /nfs/dbraw/zinc/51/09/68/1073510968.db2.gz RGOCLJCSSYZMFH-UHFFFAOYSA-N -1 0 385.601 3.646 20 5 GHBDRM O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)cc(Br)c1[O-] ZINC001472493321 1073511173 /nfs/dbraw/zinc/51/11/73/1073511173.db2.gz SVKZYEBKQKECFC-UHFFFAOYSA-N -1 0 385.601 3.646 20 5 GHBDRM CCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001475070779 1074723210 /nfs/dbraw/zinc/72/32/10/1074723210.db2.gz SUPCKROIHBXUCC-UHFFFAOYSA-N -1 0 384.479 3.540 20 5 GHBDRM O=C([O-])/C=C\c1ccc(NCCc2ccn(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000739624001 599707023 /nfs/dbraw/zinc/70/70/23/599707023.db2.gz IPGIFSOHECMPQO-CLFYSBASSA-N -1 0 378.388 3.533 20 5 GHBDRM Cc1nc2ccccc2c2c(NC(=O)CCCNC(=O)[O-])c3ccccc3n21 ZINC000738873901 599709828 /nfs/dbraw/zinc/70/98/28/599709828.db2.gz FKZVQYKIVYBHEO-UHFFFAOYSA-N -1 0 376.416 3.935 20 5 GHBDRM C[C@H](CN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC000237381490 599931051 /nfs/dbraw/zinc/93/10/51/599931051.db2.gz REMRYOQCWLWYFL-CQSZACIVSA-N -1 0 397.431 3.532 20 5 GHBDRM COc1ccc2oc([C@@H](C)NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c(C)c2c1 ZINC000485731718 600040909 /nfs/dbraw/zinc/04/09/09/600040909.db2.gz NKGYJWQFNMLXQN-LLVKDONJSA-N -1 0 398.371 3.847 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2ccccc2OCc2ccncc2)cc([N+](=O)[O-])c1 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393.440 3.752 20 5 GHBDRM CCCc1csc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000504518007 850115285 /nfs/dbraw/zinc/11/52/85/850115285.db2.gz IHFLJHJXQVFPKD-UHFFFAOYSA-N -1 0 375.859 3.766 20 5 GHBDRM CCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000604370031 862103862 /nfs/dbraw/zinc/10/38/62/862103862.db2.gz VVSDVOISARPFDP-GFCCVEGCSA-N -1 0 390.417 3.818 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000435476590 850578356 /nfs/dbraw/zinc/57/83/56/850578356.db2.gz HKYPESBSYIVMCN-UHFFFAOYSA-N -1 0 395.195 3.850 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H]2c2cccc3ccccc32)ccc1[O-] ZINC000604375076 862157490 /nfs/dbraw/zinc/15/74/90/862157490.db2.gz MZXFYJKVNONEGD-GOSISDBHSA-N -1 0 398.440 3.979 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1 ZINC000513819034 850911864 /nfs/dbraw/zinc/91/18/64/850911864.db2.gz OTNDULIGGFMHME-UHFFFAOYSA-N -1 0 379.781 3.704 20 5 GHBDRM 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852156721 /nfs/dbraw/zinc/15/67/21/852156721.db2.gz MBEPIONPCBSPJK-OAHLLOKOSA-N -1 0 379.294 3.815 20 5 GHBDRM O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436669201 852168595 /nfs/dbraw/zinc/16/85/95/852168595.db2.gz HZFKOFQEWNNXAU-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506200524 852209119 /nfs/dbraw/zinc/20/91/19/852209119.db2.gz YALNCOQPIUUFOH-UHFFFAOYSA-N -1 0 376.781 3.725 20 5 GHBDRM O=C([O-])[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1F ZINC000426786544 852397438 /nfs/dbraw/zinc/39/74/38/852397438.db2.gz WIWYDGUSWUICNK-INIZCTEOSA-N -1 0 387.392 3.773 20 5 GHBDRM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436839324 852405490 /nfs/dbraw/zinc/40/54/90/852405490.db2.gz UCKJFPWOGFMJAD-LLVKDONJSA-N -1 0 392.795 3.621 20 5 GHBDRM C[C@@H](NC(=O)c1cc(F)cc(Br)c1[O-])c1cccc([N+](=O)[O-])c1 ZINC000436850290 852416375 /nfs/dbraw/zinc/41/63/75/852416375.db2.gz HDKDFQXENHKXSH-MRVPVSSYSA-N -1 0 383.173 3.693 20 5 GHBDRM COc1ccc(-c2ccc(CN[C@@H](C(=O)[O-])c3cccs3)o2)c([N+](=O)[O-])c1 ZINC000426815306 852427054 /nfs/dbraw/zinc/42/70/54/852427054.db2.gz DZRSRAOLZBBYAJ-QGZVFWFLSA-N -1 0 388.401 3.840 20 5 GHBDRM Cc1cccc2sc([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])nc21 ZINC000489600569 852479891 /nfs/dbraw/zinc/47/98/91/852479891.db2.gz UVEGCWZCTXMQHN-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1nc2ccccc2n1C(F)F ZINC000436948923 852531682 /nfs/dbraw/zinc/53/16/82/852531682.db2.gz IOAAXXNOGOORBE-VIFPVBQESA-N -1 0 376.319 3.536 20 5 GHBDRM O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436985989 852595567 /nfs/dbraw/zinc/59/55/67/852595567.db2.gz DTRIJKHCMSXDSQ-LLVKDONJSA-N -1 0 396.230 3.616 20 5 GHBDRM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000507160590 852609293 /nfs/dbraw/zinc/60/92/93/852609293.db2.gz MKOTXNRKINJTLN-ZDUSSCGKSA-N -1 0 383.404 3.567 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N(Cc1csc(Br)c1)C1CC1 ZINC000507309708 852770493 /nfs/dbraw/zinc/77/04/93/852770493.db2.gz ADGRZLWAZXLOHW-UHFFFAOYSA-N -1 0 397.250 3.929 20 5 GHBDRM C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506361197 852842794 /nfs/dbraw/zinc/84/27/94/852842794.db2.gz HEGXSSXIBZXAKN-PIGZYNQJSA-N -1 0 376.796 3.556 20 5 GHBDRM CCSc1ccc([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000507483913 852965392 /nfs/dbraw/zinc/96/53/92/852965392.db2.gz ILEGKAJYKAQPLG-NSHDSACASA-N -1 0 384.454 3.885 20 5 GHBDRM CCC(CC)c1n[n-]c(=NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000437413423 853107664 /nfs/dbraw/zinc/10/76/64/853107664.db2.gz ZSCOADSKRMGMIP-UHFFFAOYSA-N -1 0 389.481 3.968 20 5 GHBDRM O=C(NCc1ccc(COc2ccccc2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000506496616 853348623 /nfs/dbraw/zinc/34/86/23/853348623.db2.gz RKISIUIJEISXAF-UHFFFAOYSA-N -1 0 378.384 3.809 20 5 GHBDRM CCc1nc(C)c([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000481872774 862454810 /nfs/dbraw/zinc/45/48/10/862454810.db2.gz VHGPFTDKEDKRHX-UHFFFAOYSA-N -1 0 375.859 3.685 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Cl ZINC000491058579 853430898 /nfs/dbraw/zinc/43/08/98/853430898.db2.gz IEWBSWWNFHKFGY-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(Cl)c(N)c(Cl)c1 ZINC000055574147 854011920 /nfs/dbraw/zinc/01/19/20/854011920.db2.gz BZMXSTUNDUTDQU-UHFFFAOYSA-N -1 0 376.221 3.593 20 5 GHBDRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000055644609 854042712 /nfs/dbraw/zinc/04/27/12/854042712.db2.gz LORUMGKVRWEULF-UHFFFAOYSA-N -1 0 380.422 3.501 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(OCC(F)F)cc1 ZINC000481959688 862552896 /nfs/dbraw/zinc/55/28/96/862552896.db2.gz SASZUFKJJABCJZ-UHFFFAOYSA-N -1 0 392.767 3.693 20 5 GHBDRM CCc1noc(C)c1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000164884611 854375138 /nfs/dbraw/zinc/37/51/38/854375138.db2.gz VESDDKSHZQDLDN-UHFFFAOYSA-N -1 0 380.209 3.561 20 5 GHBDRM Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000106724519 855288789 /nfs/dbraw/zinc/28/87/89/855288789.db2.gz HAPUOCGAOSJIDX-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM O=C([O-])C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000590851047 855613742 /nfs/dbraw/zinc/61/37/42/855613742.db2.gz OTDKBKSTFVNGCB-LBPRGKRZSA-N -1 0 378.450 3.709 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1csc(-c2ncccc2F)n1 ZINC000542752394 855623447 /nfs/dbraw/zinc/62/34/47/855623447.db2.gz UDSMHBWKZDGIRU-UHFFFAOYSA-N -1 0 394.771 3.864 20 5 GHBDRM O=C([O-])c1cc(C(=O)NCCc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000591708258 856225322 /nfs/dbraw/zinc/22/53/22/856225322.db2.gz LYLAGDXPTAZATH-UHFFFAOYSA-N -1 0 383.187 3.572 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1N(C)C ZINC000520769572 856398181 /nfs/dbraw/zinc/39/81/81/856398181.db2.gz FISIIPRZYIWDDO-UHFFFAOYSA-N -1 0 383.857 3.677 20 5 GHBDRM Cc1ccc(Sc2ccc(C(=O)N(C)CCCC(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000427725470 856642576 /nfs/dbraw/zinc/64/25/76/856642576.db2.gz AMDYRVJQXOZZCC-UHFFFAOYSA-N -1 0 388.445 3.991 20 5 GHBDRM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000164475361 862829901 /nfs/dbraw/zinc/82/99/01/862829901.db2.gz QGOCCBRWCYZFIA-ZDUSSCGKSA-N -1 0 389.839 3.519 20 5 GHBDRM CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000554930893 856780812 /nfs/dbraw/zinc/78/08/12/856780812.db2.gz OZGTXDTWQVKHIU-UHFFFAOYSA-N -1 0 397.840 3.624 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ncc(-c2ccccn2)s1 ZINC000508090603 856888692 /nfs/dbraw/zinc/88/86/92/856888692.db2.gz XHVOJYBRYGTHRO-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c2ncccc12 ZINC000499505997 857044165 /nfs/dbraw/zinc/04/41/65/857044165.db2.gz NZZHIEYTKUNHMR-UHFFFAOYSA-N -1 0 387.392 3.960 20 5 GHBDRM Cc1sc([C@@H]2CCCN2c2ccc([N+](=O)[O-])c3cnccc32)nc1C(=O)[O-] ZINC000592981132 857147716 /nfs/dbraw/zinc/14/77/16/857147716.db2.gz FZQUNMSCPZPBAL-HNNXBMFYSA-N -1 0 384.417 3.948 20 5 GHBDRM O=C(N[C@H]1CSc2ccc(Br)cc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000428188175 857169597 /nfs/dbraw/zinc/16/95/97/857169597.db2.gz VYVHRCLZPGCNQJ-ZDUSSCGKSA-N -1 0 395.234 3.640 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)c(Cl)c1 ZINC000130960969 857675960 /nfs/dbraw/zinc/67/59/60/857675960.db2.gz JCBNFTASLSUDJM-UHFFFAOYSA-N -1 0 392.767 3.693 20 5 GHBDRM O=C([O-])[C@@H](Cc1cccc2ccccc21)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000521528540 858074830 /nfs/dbraw/zinc/07/48/30/858074830.db2.gz FXJZINJEJIITEZ-GOSISDBHSA-N -1 0 379.372 3.565 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N(Cc1cccc(O)c1)CC1CC1 ZINC000592774239 858216577 /nfs/dbraw/zinc/21/65/77/858216577.db2.gz OEGIFYVRTSROBL-UHFFFAOYSA-N -1 0 376.796 3.712 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2cccc(COC[C@@H]3CCCO3)c2)c1 ZINC000595280622 858459540 /nfs/dbraw/zinc/45/95/40/858459540.db2.gz QETSISUNZJNFNF-KRWDZBQOSA-N -1 0 386.404 3.601 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000160213539 858711877 /nfs/dbraw/zinc/71/18/77/858711877.db2.gz ORLBTBIVCXIMMF-HNNXBMFYSA-N -1 0 394.387 3.718 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2nccn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000509257919 858859470 /nfs/dbraw/zinc/85/94/70/858859470.db2.gz VPMBYJJDTJKQQI-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000483444588 859380302 /nfs/dbraw/zinc/38/03/02/859380302.db2.gz VWZMDTCODPLQFF-UHFFFAOYSA-N -1 0 377.328 3.954 20 5 GHBDRM O=C(NCCc1ccccc1OCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001170365499 881429503 /nfs/dbraw/zinc/42/95/03/881429503.db2.gz XNXXJTWIRBNANI-UHFFFAOYSA-N -1 0 392.411 3.852 20 5 GHBDRM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000765348809 859932556 /nfs/dbraw/zinc/93/25/56/859932556.db2.gz IZOXXMLQYAPBIB-ARJAWSKDSA-N -1 0 378.316 3.740 20 5 GHBDRM CCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cnn1-c1ccc(Cl)cc1 ZINC000474381486 859970429 /nfs/dbraw/zinc/97/04/29/859970429.db2.gz WSXHVLYKJNULGA-UHFFFAOYSA-N -1 0 386.795 3.954 20 5 GHBDRM Cc1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)c1Br ZINC000093929184 860376916 /nfs/dbraw/zinc/37/69/16/860376916.db2.gz QPCKGMMZMIIYQJ-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000593580852 860450786 /nfs/dbraw/zinc/45/07/86/860450786.db2.gz MTLMBIJPKFMACJ-RKDXNWHRSA-N -1 0 382.722 3.640 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCO[C@H](c3ccccc3Cl)C2)c1 ZINC000593734097 861086596 /nfs/dbraw/zinc/08/65/96/861086596.db2.gz QHDCFOIZQPVFFG-KRWDZBQOSA-N -1 0 376.796 3.520 20 5 GHBDRM COc1ccc(OC)c([C@@H]2CCCN2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC000593729512 861094051 /nfs/dbraw/zinc/09/40/51/861094051.db2.gz BGZJDNXFORKZDA-SFHVURJKSA-N -1 0 386.404 3.647 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCO[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000593740642 861152193 /nfs/dbraw/zinc/15/21/93/861152193.db2.gz JFDQKXPLRHNSHM-QGZVFWFLSA-N -1 0 376.796 3.520 20 5 GHBDRM CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000733676480 863106181 /nfs/dbraw/zinc/10/61/81/863106181.db2.gz RUHNQFGGLIRFFE-MRXNPFEDSA-N -1 0 382.482 3.537 20 5 GHBDRM COc1ccc2[nH]cc(C3=CCN(C(=O)c4ccc([O-])c([N+](=O)[O-])c4)CC3)c2c1 ZINC000160025137 863247196 /nfs/dbraw/zinc/24/71/96/863247196.db2.gz AIPIXPAKODBMKJ-UHFFFAOYSA-N -1 0 393.399 3.720 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C(=O)Nc2nccc(Br)c2[O-])cc1Cl ZINC001301837406 863279818 /nfs/dbraw/zinc/27/98/18/863279818.db2.gz ITYZCSDMLWEZEZ-UHFFFAOYSA-N -1 0 386.589 3.672 20 5 GHBDRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000734080775 863984716 /nfs/dbraw/zinc/98/47/16/863984716.db2.gz YPGPBGDVUXVHSO-GFCCVEGCSA-N -1 0 388.873 3.660 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)ccc1[N+](=O)[O-] ZINC000734418512 864210695 /nfs/dbraw/zinc/21/06/95/864210695.db2.gz JURDDFXWUBYZMZ-UHFFFAOYSA-N -1 0 390.417 3.746 20 5 GHBDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1C(C)C ZINC000480222023 864290953 /nfs/dbraw/zinc/29/09/53/864290953.db2.gz GBBSDSKIZRLLBH-UHFFFAOYSA-N -1 0 380.470 3.824 20 5 GHBDRM C[C@@H](OC(=O)c1c(F)cc([O-])cc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000735950932 865070454 /nfs/dbraw/zinc/07/04/54/865070454.db2.gz QYIFXDHMNZPBHE-MRVPVSSYSA-N -1 0 391.286 3.547 20 5 GHBDRM CCCc1c([N-]c2ncc([N+](=O)[O-])cn2)cnn1-c1cc(F)c(OC)cc1F ZINC000481125958 865857960 /nfs/dbraw/zinc/85/79/60/865857960.db2.gz VDQYCURUJVRIIB-UHFFFAOYSA-N -1 0 390.350 3.553 20 5 GHBDRM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000609027078 865906404 /nfs/dbraw/zinc/90/64/04/865906404.db2.gz JIGLCVCFVFUWJL-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000740523703 865954984 /nfs/dbraw/zinc/95/49/84/865954984.db2.gz PKUKCDGUWSAFHO-UHFFFAOYSA-N -1 0 398.440 3.531 20 5 GHBDRM CCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cnn1-c1cccc(Cl)c1 ZINC000534069015 866086003 /nfs/dbraw/zinc/08/60/03/866086003.db2.gz INRDTMLAIMWACL-UHFFFAOYSA-N -1 0 386.795 3.954 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cn1 ZINC000261391563 866272811 /nfs/dbraw/zinc/27/28/11/866272811.db2.gz GFDDTAYEPGSCCA-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C1CC1 ZINC000534236730 866344121 /nfs/dbraw/zinc/34/41/21/866344121.db2.gz BKRXCAOJHKBNDJ-LBPRGKRZSA-N -1 0 378.454 3.749 20 5 GHBDRM CSCCCCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000478915677 866873027 /nfs/dbraw/zinc/87/30/27/866873027.db2.gz NAYFSZCUXLCYFJ-UHFFFAOYSA-N -1 0 387.310 3.713 20 5 GHBDRM Cc1ccc2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3F)c2n1 ZINC000742029493 867018804 /nfs/dbraw/zinc/01/88/04/867018804.db2.gz FNFHCEFYJYONPX-UHFFFAOYSA-N -1 0 375.381 3.700 20 5 GHBDRM Cc1ccc(Sc2ccc(C(=O)[N-]S(=O)(=O)C(C)C)cc2[N+](=O)[O-])cc1 ZINC000743494383 868239010 /nfs/dbraw/zinc/23/90/10/868239010.db2.gz FLXTVUZGURFEHT-UHFFFAOYSA-N -1 0 394.474 3.522 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCCOC1CCCC1 ZINC000462275894 869149815 /nfs/dbraw/zinc/14/98/15/869149815.db2.gz WIPZGTANNIFYRI-UHFFFAOYSA-N -1 0 397.280 3.529 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])nn1-c1ccccc1Cl ZINC000539598642 869408761 /nfs/dbraw/zinc/40/87/61/869408761.db2.gz QAPHIRQEUPBXLB-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1cccc(F)c1 ZINC000462438283 869429998 /nfs/dbraw/zinc/42/99/98/869429998.db2.gz SJKVRTSCNNAZKP-UHFFFAOYSA-N -1 0 379.196 3.519 20 5 GHBDRM CSc1nc(C2CC2)nc(C)c1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000539773541 869759517 /nfs/dbraw/zinc/75/95/17/869759517.db2.gz ACCGIPNFXWNBIU-UHFFFAOYSA-N -1 0 394.840 3.904 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)nn2)c(Cl)c1 ZINC000191034560 882344726 /nfs/dbraw/zinc/34/47/26/882344726.db2.gz ATSBPSJJWKIXMN-UHFFFAOYSA-N -1 0 390.808 3.506 20 5 GHBDRM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000525185044 870126871 /nfs/dbraw/zinc/12/68/71/870126871.db2.gz YHFUUQXIKQARLH-SECBINFHSA-N -1 0 392.330 3.792 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)s1 ZINC000746428578 870678595 /nfs/dbraw/zinc/67/85/95/870678595.db2.gz JABUXEXWJLLGIK-UHFFFAOYSA-N -1 0 396.471 3.607 20 5 GHBDRM CCc1[nH]nc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1-c1cccs1 ZINC000446945547 870755866 /nfs/dbraw/zinc/75/58/66/870755866.db2.gz HEYAZOAQYUPMLU-UHFFFAOYSA-N -1 0 392.462 3.551 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(-c2ncc3n2CCCC3)c1 ZINC000446950653 870790180 /nfs/dbraw/zinc/79/01/80/870790180.db2.gz ASZHBEOMVAXEMU-UHFFFAOYSA-N -1 0 398.444 3.595 20 5 GHBDRM CCc1[nH]nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1-c1cccs1 ZINC000446971200 870826646 /nfs/dbraw/zinc/82/66/46/870826646.db2.gz CTHGCUYANBHPRE-UHFFFAOYSA-N -1 0 392.462 3.718 20 5 GHBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1[nH][n-]c(-c2ccc(C)o2)c1C ZINC000463104132 870930154 /nfs/dbraw/zinc/93/01/54/870930154.db2.gz GRUNUNVQAYJKEC-HNNXBMFYSA-N -1 0 382.420 3.824 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3ccco3)cc2F)ccc1[O-] ZINC000447268743 871294286 /nfs/dbraw/zinc/29/42/86/871294286.db2.gz XJAAIWZILZTUNC-UHFFFAOYSA-N -1 0 378.337 3.500 20 5 GHBDRM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001193997042 871453553 /nfs/dbraw/zinc/45/35/53/871453553.db2.gz GPDGHISGYFKLNZ-JKSUJKDBSA-N -1 0 389.477 3.631 20 5 GHBDRM O=S(=O)(Cc1noc2ccccc21)[N-]c1cc2cccnc2c2ncccc12 ZINC001194099674 871504894 /nfs/dbraw/zinc/50/48/94/871504894.db2.gz VBNUBCFOXUMBBR-UHFFFAOYSA-N -1 0 390.424 3.866 20 5 GHBDRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1O ZINC000462099747 871595036 /nfs/dbraw/zinc/59/50/36/871595036.db2.gz DBYGAMLZFNXZOQ-UHFFFAOYSA-N -1 0 377.205 3.716 20 5 GHBDRM Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000463446710 871765376 /nfs/dbraw/zinc/76/53/76/871765376.db2.gz XXHRFLIETJMBKI-UHFFFAOYSA-N -1 0 398.824 3.672 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc2c(s1)CCCCCC2 ZINC000619506776 872693067 /nfs/dbraw/zinc/69/30/67/872693067.db2.gz DSXBHQKMQUGFGA-UHFFFAOYSA-N -1 0 397.478 3.520 20 5 GHBDRM CC[C@@](NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000619543707 872723985 /nfs/dbraw/zinc/72/39/85/872723985.db2.gz FMKCNFYTHGNVMY-XOBRGWDASA-N -1 0 385.420 3.654 20 5 GHBDRM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000768542010 873375007 /nfs/dbraw/zinc/37/50/07/873375007.db2.gz CKLYIMAYKFNULQ-XJKSGUPXSA-N -1 0 379.457 3.568 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n(-c2ccc(Cl)cc2)n1 ZINC000768847063 873628757 /nfs/dbraw/zinc/62/87/57/873628757.db2.gz BZTIVFUQZHQQQH-UHFFFAOYSA-N -1 0 398.853 3.605 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000769630851 874176558 /nfs/dbraw/zinc/17/65/58/874176558.db2.gz MGHCLKUDGBBCJG-UHFFFAOYSA-N -1 0 380.731 3.775 20 5 GHBDRM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)/C=C\c1ccccc1Cl ZINC000769672403 874224551 /nfs/dbraw/zinc/22/45/51/874224551.db2.gz IYSOIUSZYWACGR-HJWRWDBZSA-N -1 0 382.825 3.807 20 5 GHBDRM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(O)c1 ZINC000776198232 875779492 /nfs/dbraw/zinc/77/94/92/875779492.db2.gz XFCCFNGAAOUODS-UHFFFAOYSA-N -1 0 389.364 3.605 20 5 GHBDRM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 ZINC000549927631 875908934 /nfs/dbraw/zinc/90/89/34/875908934.db2.gz BXQDSZWBFRFDFJ-AWEZNQCLSA-N -1 0 392.415 3.799 20 5 GHBDRM Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000491849167 875985968 /nfs/dbraw/zinc/98/59/68/875985968.db2.gz KXBRSGGXLLRCQR-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM CCC1(CC)Oc2ccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc2O1 ZINC000786727878 876889951 /nfs/dbraw/zinc/88/99/51/876889951.db2.gz PMGLPAULIKVQPH-UHFFFAOYSA-N -1 0 384.435 3.745 20 5 GHBDRM Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])ccc1NC(=O)c1ccco1 ZINC000122071341 877223747 /nfs/dbraw/zinc/22/37/47/877223747.db2.gz LAKLDWXLGZLSRN-UHFFFAOYSA-N -1 0 381.344 3.706 20 5 GHBDRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000551473438 877261086 /nfs/dbraw/zinc/26/10/86/877261086.db2.gz NOHCRYMYDJLTAY-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1nc(CC(F)(F)F)cs1 ZINC000451053812 877286254 /nfs/dbraw/zinc/28/62/54/877286254.db2.gz FQIXLAZMHDVROZ-UHFFFAOYSA-N -1 0 395.384 3.574 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)s2)ccc1Cl ZINC000788845254 878380855 /nfs/dbraw/zinc/38/08/55/878380855.db2.gz UKKMBXGENOZEEW-UHFFFAOYSA-N -1 0 387.748 3.524 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000180161520 878623623 /nfs/dbraw/zinc/62/36/23/878623623.db2.gz VOUYYSUKCBKMDQ-UHFFFAOYSA-N -1 0 399.812 3.882 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cc(F)ccc3Cl)n[nH]2)c1 ZINC000153194811 879251227 /nfs/dbraw/zinc/25/12/27/879251227.db2.gz DUXBFDZFVYPZMT-UHFFFAOYSA-N -1 0 396.787 3.578 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)cc(C(F)(F)F)c1 ZINC000616960215 879269273 /nfs/dbraw/zinc/26/92/73/879269273.db2.gz RJNLSSFXBAALPJ-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000180779128 879314512 /nfs/dbraw/zinc/31/45/12/879314512.db2.gz SXHNNICBXXWFND-UHFFFAOYSA-N -1 0 375.768 3.555 20 5 GHBDRM Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180787305 879318287 /nfs/dbraw/zinc/31/82/87/879318287.db2.gz XAOHDHYENXOXMD-UHFFFAOYSA-N -1 0 389.799 3.840 20 5 GHBDRM Cc1ccc(Sc2ccc(C(=O)N3CCC[C@@H]3C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000262077155 879332029 /nfs/dbraw/zinc/33/20/29/879332029.db2.gz DJBHKOIHLKMEDJ-OAHLLOKOSA-N -1 0 386.429 3.744 20 5 GHBDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])n2)c1 ZINC000531225697 879342229 /nfs/dbraw/zinc/34/22/29/879342229.db2.gz QTTHHTNHJAYUOK-UHFFFAOYSA-N -1 0 394.431 3.882 20 5 GHBDRM O=C([O-])C1(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCC1 ZINC000538464920 879551919 /nfs/dbraw/zinc/55/19/19/879551919.db2.gz LVBFJBXYMOQBRW-UHFFFAOYSA-N -1 0 390.779 3.778 20 5 GHBDRM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000520156465 879909954 /nfs/dbraw/zinc/90/99/54/879909954.db2.gz KTLCLKCJIICPPY-INIZCTEOSA-N -1 0 384.404 3.939 20 5 GHBDRM CCOC(=O)c1cc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c(F)cc1C ZINC000791304994 880313202 /nfs/dbraw/zinc/31/32/02/880313202.db2.gz IYEOPECOJBMECD-UHFFFAOYSA-N -1 0 378.331 3.919 20 5 GHBDRM COc1cc(F)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791432460 880400188 /nfs/dbraw/zinc/40/01/88/880400188.db2.gz ODHOCNJDLKODRK-UHFFFAOYSA-N -1 0 395.195 3.850 20 5 GHBDRM CC(C)Sc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000760365955 884020059 /nfs/dbraw/zinc/02/00/59/884020059.db2.gz ZBJORLDFVSGTOT-UHFFFAOYSA-N -1 0 397.434 3.804 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c2cccnc21 ZINC000194707940 884159444 /nfs/dbraw/zinc/15/94/44/884159444.db2.gz UIZHOIRTAIPZMR-UHFFFAOYSA-N -1 0 395.799 3.877 20 5 GHBDRM CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc2o1 ZINC000032097512 884211342 /nfs/dbraw/zinc/21/13/42/884211342.db2.gz NENWZFWRUFHHBU-UHFFFAOYSA-N -1 0 391.405 3.540 20 5 GHBDRM Cc1cc(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])c(C)n1C[C@H]1CCCOC1 ZINC000860364930 884605846 /nfs/dbraw/zinc/60/58/46/884605846.db2.gz QDZPWGXNKZRSPY-OAHLLOKOSA-N -1 0 388.420 3.502 20 5 GHBDRM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000193206024 884760062 /nfs/dbraw/zinc/76/00/62/884760062.db2.gz QOHCAURGAYZASC-UHFFFAOYSA-N -1 0 390.339 3.911 20 5 GHBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)[nH]1 ZINC000806563784 884817474 /nfs/dbraw/zinc/81/74/74/884817474.db2.gz ZPZHSZHNGPURGV-TWGQIWQCSA-N -1 0 396.315 3.667 20 5 GHBDRM Cc1ccc(-c2ccc(C)c(NS(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2)o1 ZINC000475836585 884858930 /nfs/dbraw/zinc/85/89/30/884858930.db2.gz QZQDFFVQLXZKDS-UHFFFAOYSA-N -1 0 388.401 3.978 20 5 GHBDRM C[C@@H](Cc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-] ZINC000191407880 884937886 /nfs/dbraw/zinc/93/78/86/884937886.db2.gz QWIBTSQLUQNPIK-AWEZNQCLSA-N -1 0 385.420 3.689 20 5 GHBDRM CSc1cccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1[N+](=O)[O-] ZINC000777175587 885354589 /nfs/dbraw/zinc/35/45/89/885354589.db2.gz WVOOWRHFUYHHAH-UHFFFAOYSA-N -1 0 383.769 3.836 20 5 GHBDRM CCCCCc1nnc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000176591005 885572101 /nfs/dbraw/zinc/57/21/01/885572101.db2.gz RRUBRQJGUKGXIN-UHFFFAOYSA-N -1 0 390.874 3.633 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000556892406 886521501 /nfs/dbraw/zinc/52/15/01/886521501.db2.gz LAJNEERYPDQNLI-INIZCTEOSA-N -1 0 396.321 3.533 20 5 GHBDRM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000194133976 888058078 /nfs/dbraw/zinc/05/80/78/888058078.db2.gz YAAWKWDWWYXENZ-UHFFFAOYSA-N -1 0 395.868 3.958 20 5 GHBDRM CC(C)(C)OC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000729666402 888275711 /nfs/dbraw/zinc/27/57/11/888275711.db2.gz RECZFJWNMILADU-UHFFFAOYSA-N -1 0 393.421 3.743 20 5 GHBDRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000811713228 889891285 /nfs/dbraw/zinc/89/12/85/889891285.db2.gz VWTSANHKEGDXRM-UHFFFAOYSA-N -1 0 392.767 3.644 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000811723685 889922935 /nfs/dbraw/zinc/92/29/35/889922935.db2.gz VLFBKLAHCAMLHR-UHFFFAOYSA-N -1 0 399.812 3.828 20 5 GHBDRM CCC[C@H](C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000916773743 890215319 /nfs/dbraw/zinc/21/53/19/890215319.db2.gz UNGUPSORCVPYOS-KRWDZBQOSA-N -1 0 390.461 3.600 20 5 GHBDRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC000812707796 890908190 /nfs/dbraw/zinc/90/81/90/890908190.db2.gz NHJFVGKSROURAJ-UHFFFAOYSA-N -1 0 380.759 3.867 20 5 GHBDRM O=C([O-])c1cc(N2CCC(Oc3ccc(F)cc3F)CC2)ccc1[N+](=O)[O-] ZINC000917083593 891024647 /nfs/dbraw/zinc/02/46/47/891024647.db2.gz VOSHIMRULKOIFB-UHFFFAOYSA-N -1 0 378.331 3.619 20 5 GHBDRM CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C(F)(F)F)c1 ZINC000064375010 892094970 /nfs/dbraw/zinc/09/49/70/892094970.db2.gz LIWFCWWUPICRBH-UHFFFAOYSA-N -1 0 396.368 3.875 20 5 GHBDRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000814023078 892171234 /nfs/dbraw/zinc/17/12/34/892171234.db2.gz XORGJNOWKCLBML-HNNXBMFYSA-N -1 0 394.474 3.528 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccc(F)cc3)s2)s1 ZINC000064245106 892431650 /nfs/dbraw/zinc/43/16/50/892431650.db2.gz APOGXQUEOQABSG-UHFFFAOYSA-N -1 0 399.450 3.644 20 5 GHBDRM CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2O1 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CC(C)(C)OC(=O)N1CCC2(CC(Oc3cc([O-])ccc3[N+](=O)[O-])C2)CC1 ZINC001225488514 1031437330 /nfs/dbraw/zinc/43/73/30/1031437330.db2.gz HEBYJCVQLUEVNM-UHFFFAOYSA-N -1 0 378.425 3.859 20 5 GHBDRM CC(C)(Oc1cccc([O-])c1[N+](=O)[O-])[C@H]1Cc2cc3ccc(=O)oc3cc2O1 ZINC001225620874 1031513151 /nfs/dbraw/zinc/51/31/51/1031513151.db2.gz XJFDUBUKBJIQOX-QGZVFWFLSA-N -1 0 383.356 3.568 20 5 GHBDRM CCOC(=O)C[C@@H](Oc1ccc2c(c1)oc1cc(O)ccc1c2=O)C(F)(F)F ZINC001229516206 1033533539 /nfs/dbraw/zinc/53/35/39/1033533539.db2.gz IPXIFIZFOPJMOR-MRXNPFEDSA-N -1 0 396.317 3.915 20 5 GHBDRM CCCSc1nc(O[C@H](C)c2ccc(OC)c(OC)c2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229790641 1033716789 /nfs/dbraw/zinc/71/67/89/1033716789.db2.gz BJFZIAMMDOPULX-SNVBAGLBSA-N -1 0 395.437 3.750 20 5 GHBDRM COC(=O)c1ccc(C)c([N+](=O)[O-])c1OC(=C([O-])c1ccco1)c1ccco1 ZINC001229899705 1033782744 /nfs/dbraw/zinc/78/27/44/1033782744.db2.gz NZXVNFQKKISXFG-SFHVURJKSA-N -1 0 385.328 3.879 20 5 GHBDRM CCCC[C@H](C)Oc1c2cc(S(=O)(=O)[O-])ccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231244036 1034480744 /nfs/dbraw/zinc/48/07/44/1034480744.db2.gz YTGWBYRMGKHSBZ-JTQLQIEISA-N -1 0 398.393 3.860 20 5 GHBDRM O=C(Nc1cc(F)c(F)cc1N1CCCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC001160226481 1034909090 /nfs/dbraw/zinc/90/90/90/1034909090.db2.gz SNSOCSLEGLFBHY-UHFFFAOYSA-N -1 0 377.347 3.821 20 5 GHBDRM N[C@@H](Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001247666542 1038303281 /nfs/dbraw/zinc/30/32/81/1038303281.db2.gz PRHWXGADOQKZHE-NSHDSACASA-N -1 0 399.457 3.786 20 5 GHBDRM O=c1c2cccc(O)c2oc2cc(O)cc(OC[C@H]3Cc4ccccc4O3)c21 ZINC001234749025 1040275386 /nfs/dbraw/zinc/27/53/86/1040275386.db2.gz VVAJNWOKWLIEGE-CQSZACIVSA-N -1 0 376.364 3.740 20 5 GHBDRM Cc1ccc(OCCCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC001291585685 1043351297 /nfs/dbraw/zinc/35/12/97/1043351297.db2.gz LMXVCDYUJKSJLN-UHFFFAOYSA-N -1 0 378.812 3.851 20 5 GHBDRM Cc1ccc([C@H]2C[C@@H]2c2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])o2)cc1 ZINC001257335616 1043966612 /nfs/dbraw/zinc/96/66/12/1043966612.db2.gz SLQZNDFIEUSJHV-OLZOCXBDSA-N -1 0 382.332 3.838 20 5 GHBDRM Cc1cc(C)n(Cc2cccc(-c3nnc(-c4cc([N+](=O)[O-])ccc4[O-])o3)c2)n1 ZINC001257411487 1043991013 /nfs/dbraw/zinc/99/10/13/1043991013.db2.gz ZBBLELQPHPPLNN-UHFFFAOYSA-N -1 0 391.387 3.879 20 5 GHBDRM CC(C)N(C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])C1CCC1 ZINC001293841520 1044345681 /nfs/dbraw/zinc/34/56/81/1044345681.db2.gz QQAWEJMZIZZAIV-UHFFFAOYSA-N -1 0 378.816 3.543 20 5 GHBDRM COC(=O)Nc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1F ZINC001546134703 1070608128 /nfs/dbraw/zinc/60/81/28/1070608128.db2.gz DXEVSVHVSNACFM-UHFFFAOYSA-N -1 0 383.719 3.524 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2cc3cccnc3c3ncccc23)c(OC)c1 ZINC001258960331 1044907991 /nfs/dbraw/zinc/90/79/91/1044907991.db2.gz OGMRJCUUIUKPEF-UHFFFAOYSA-N -1 0 395.440 3.601 20 5 GHBDRM CC[C@@H](NC(=O)N=c1[n-]nc(/C=C/c2ccco2)s1)c1cccc([N+](=O)[O-])c1 ZINC000484013666 1045336334 /nfs/dbraw/zinc/33/63/34/1045336334.db2.gz PYJLKXPXTJGOEO-XVJNWHFHSA-N -1 0 399.432 3.904 20 5 GHBDRM O=C(NCc1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001297641773 1045595720 /nfs/dbraw/zinc/59/57/20/1045595720.db2.gz PXSCHLXLXPDPII-UHFFFAOYSA-N -1 0 378.384 3.809 20 5 GHBDRM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(C(F)(F)F)cc1[O-] ZINC001303180492 1047306559 /nfs/dbraw/zinc/30/65/59/1047306559.db2.gz KIUBJYKIDCAYOZ-UHFFFAOYSA-N -1 0 392.293 3.962 20 5 GHBDRM CN1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])c2ccc(Br)cc21 ZINC001307758958 1049572754 /nfs/dbraw/zinc/57/27/54/1049572754.db2.gz CRNARJJNFHLCAJ-UHFFFAOYSA-N -1 0 378.226 3.519 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCO[C@@H](c3ccc(Cl)s3)C2)c1 ZINC001328746126 1050621269 /nfs/dbraw/zinc/62/12/69/1050621269.db2.gz VFUODRPCSJEGRL-CYBMUJFWSA-N -1 0 382.825 3.581 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c[nH]c3ccc(Br)cc23)cc1 ZINC001309853163 1051006179 /nfs/dbraw/zinc/00/61/79/1051006179.db2.gz TVQBLOYKRYWQGC-UHFFFAOYSA-N -1 0 396.222 3.639 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCC[C@H](c3ccccc3)CC2)ccc1[O-] ZINC001309900385 1051033489 /nfs/dbraw/zinc/03/34/89/1051033489.db2.gz HNLOUJYRQFPZHS-JKSUJKDBSA-N -1 0 390.461 3.695 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n(-c2ccc(C)cc2)n1 ZINC001318241791 1054519808 /nfs/dbraw/zinc/51/98/08/1054519808.db2.gz UGTANKPXZFDCEH-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM CSc1nc2ccc([N-]S(=O)(=O)c3ccsc3[N+](=O)[O-])cc2s1 ZINC001321103027 1056094580 /nfs/dbraw/zinc/09/45/80/1056094580.db2.gz FSLGQFCJCYPTDM-UHFFFAOYSA-N -1 0 387.489 3.789 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccn(C3CCCCC3)n2)c(Cl)c1 ZINC001321997817 1056470536 /nfs/dbraw/zinc/47/05/36/1056470536.db2.gz GBQJBUDVENDYER-UHFFFAOYSA-N -1 0 384.845 3.751 20 5 GHBDRM Cc1cc(Cl)cc(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001323399500 1056964005 /nfs/dbraw/zinc/96/40/05/1056964005.db2.gz ZFONBIFYPXDYOV-UHFFFAOYSA-N -1 0 385.785 3.574 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])cc1OC1CCCC1 ZINC001325348771 1057316559 /nfs/dbraw/zinc/31/65/59/1057316559.db2.gz KFLOJJONESUDDC-UHFFFAOYSA-N -1 0 398.462 3.787 20 5 GHBDRM CC1CCC(Oc2cc(CNC(=O)c3cc([O-])cc([N+](=O)[O-])c3)ccn2)CC1 ZINC001444169755 1059275927 /nfs/dbraw/zinc/27/59/27/1059275927.db2.gz DWNRCOFOYBOWJO-UHFFFAOYSA-N -1 0 385.420 3.583 20 5 GHBDRM O=C(Nc1cccc2cc[nH]c21)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001448109569 1060106957 /nfs/dbraw/zinc/10/69/57/1060106957.db2.gz HVJDCQDWGBNKNJ-UHFFFAOYSA-N -1 0 397.778 3.873 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CC1(Cc2ccccc2)CCCC1 ZINC001463423684 1064338010 /nfs/dbraw/zinc/33/80/10/1064338010.db2.gz UOAHYIYAUZOVCF-UHFFFAOYSA-N -1 0 392.452 3.815 20 5 GHBDRM CC1(C)C(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC001463580261 1064477642 /nfs/dbraw/zinc/47/76/42/1064477642.db2.gz VYIOZYKOWWBQDB-UHFFFAOYSA-N -1 0 381.281 3.862 20 5 GHBDRM CC(C)(C)OC(=O)[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)(C)C ZINC001466408842 1066137121 /nfs/dbraw/zinc/13/71/21/1066137121.db2.gz JLNKDFKLBJPRSA-GFCCVEGCSA-N -1 0 386.832 3.896 20 5 GHBDRM CCOC(=O)Nc1ccc(F)c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC001546162363 1067275130 /nfs/dbraw/zinc/27/51/30/1067275130.db2.gz HDHZFGRDBTXKRS-UHFFFAOYSA-N -1 0 397.746 3.914 20 5 GHBDRM O=C(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001467941568 1067538508 /nfs/dbraw/zinc/53/85/08/1067538508.db2.gz RWNRVEATNNOSKS-SFHVURJKSA-N -1 0 390.823 3.852 20 5 GHBDRM CC1(C)C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCS1 ZINC001475727954 1075009690 /nfs/dbraw/zinc/00/96/90/1075009690.db2.gz HPVAKNOEBCWYCG-VIFPVBQESA-N -1 0 399.321 3.854 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2CCCC[C@H]2Cc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000538469237 599773329 /nfs/dbraw/zinc/77/33/29/599773329.db2.gz KUVSLOXMKNUWNH-KRWDZBQOSA-N -1 0 386.379 3.670 20 5 GHBDRM Cc1cccnc1CNc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000738786312 599779161 /nfs/dbraw/zinc/77/91/61/599779161.db2.gz MJIGIGHJBOJENL-UHFFFAOYSA-N -1 0 391.383 3.840 20 5 GHBDRM CCCc1c(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)[nH]c(C)c1C(=O)[O-] ZINC000737043128 599789224 /nfs/dbraw/zinc/78/92/24/599789224.db2.gz HGNVGPOIRNPSSF-UHFFFAOYSA-N -1 0 397.391 3.524 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000736435618 599828353 /nfs/dbraw/zinc/82/83/53/599828353.db2.gz JMYQJQHEBIDUSL-AWEZNQCLSA-N -1 0 395.481 3.605 20 5 GHBDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000738203352 599849771 /nfs/dbraw/zinc/84/97/71/599849771.db2.gz SJOMOXKOWRAPDM-OAHLLOKOSA-N -1 0 394.836 3.916 20 5 GHBDRM C[C@@H](OC(=O)c1ccccc1NC(=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000736695746 599867382 /nfs/dbraw/zinc/86/73/82/599867382.db2.gz FYLLTYKWLMTVJI-SNVBAGLBSA-N -1 0 398.331 3.653 20 5 GHBDRM COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cc1SC ZINC000737905558 599909382 /nfs/dbraw/zinc/90/93/82/599909382.db2.gz LETPKOBTQHSFRA-UHFFFAOYSA-N -1 0 391.405 3.692 20 5 GHBDRM COc1ccc(C[C@@H](C)Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000737984399 600008466 /nfs/dbraw/zinc/00/84/66/600008466.db2.gz KMJSYWAEVUBCJZ-OYVUYXNMSA-N -1 0 386.404 3.753 20 5 GHBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737451063 600037003 /nfs/dbraw/zinc/03/70/03/600037003.db2.gz HINJDOSOFHWLNM-UHFFFAOYSA-N -1 0 376.796 3.538 20 5 GHBDRM O=C([O-])c1coc(C(=O)COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)c1 ZINC000740257373 600147766 /nfs/dbraw/zinc/14/77/66/600147766.db2.gz HOXYFPHJVTZBAR-UHFFFAOYSA-N -1 0 381.340 3.739 20 5 GHBDRM Cc1nc(-c2cccs2)ccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738838006 600192269 /nfs/dbraw/zinc/19/22/69/600192269.db2.gz JEYFTYCHUSBRJE-UHFFFAOYSA-N -1 0 383.385 3.977 20 5 GHBDRM O=C([O-])c1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(F)c1 ZINC000479546497 600200880 /nfs/dbraw/zinc/20/08/80/600200880.db2.gz YKYSPSNDZMETFK-UHFFFAOYSA-N -1 0 387.348 3.808 20 5 GHBDRM Cc1cc(C(=O)[O-])c2sc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])nc2n1 ZINC000738346341 600203380 /nfs/dbraw/zinc/20/33/80/600203380.db2.gz QKUWVEXHFXHAND-UHFFFAOYSA-N -1 0 392.780 3.512 20 5 GHBDRM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC000738212073 600213058 /nfs/dbraw/zinc/21/30/58/600213058.db2.gz GZSNQHFQRUELEL-UHFFFAOYSA-N -1 0 398.343 3.869 20 5 GHBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736472279 600390034 /nfs/dbraw/zinc/39/00/34/600390034.db2.gz POKQSKPIBBEHCA-UHFFFAOYSA-N -1 0 375.356 3.875 20 5 GHBDRM COc1cc(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000737848875 600451900 /nfs/dbraw/zinc/45/19/00/600451900.db2.gz HSLMTONLURHNRF-UHFFFAOYSA-N -1 0 378.406 3.913 20 5 GHBDRM O=C([O-])CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000739686610 600483091 /nfs/dbraw/zinc/48/30/91/600483091.db2.gz OFELOSLZCCSTLC-UHFFFAOYSA-N -1 0 378.768 3.744 20 5 GHBDRM C[C@@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000736551420 600591302 /nfs/dbraw/zinc/59/13/02/600591302.db2.gz KKPXQYXSCZUXOH-YUMQZZPRSA-N -1 0 380.344 3.537 20 5 GHBDRM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1OC ZINC000737193271 600621296 /nfs/dbraw/zinc/62/12/96/600621296.db2.gz FNFSWJADMZVFIF-UHFFFAOYSA-N -1 0 394.767 3.606 20 5 GHBDRM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000832341529 600742009 /nfs/dbraw/zinc/74/20/09/600742009.db2.gz MUEFDSXDOWOBDI-HNNXBMFYSA-N -1 0 385.203 3.826 20 5 GHBDRM O=C([O-])/C=C/c1ccc(NCCc2ccn(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1 ZINC000833198315 600822119 /nfs/dbraw/zinc/82/21/19/600822119.db2.gz YFORXQDGVODMOS-KRXBUXKQSA-N -1 0 396.378 3.672 20 5 GHBDRM CN(Cc1nccs1)c1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000830883081 600987499 /nfs/dbraw/zinc/98/74/99/600987499.db2.gz IHVDFDVHBYKRKN-UHFFFAOYSA-N -1 0 397.412 3.617 20 5 GHBDRM Cn1c(CCCNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])nc2ccccc21 ZINC000833038277 600998953 /nfs/dbraw/zinc/99/89/53/600998953.db2.gz BCVQOAHKKQMOBV-LUAWRHEFSA-N -1 0 380.404 3.624 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(Br)cc2C(=O)[O-])c1 ZINC000738664743 601006823 /nfs/dbraw/zinc/00/68/23/601006823.db2.gz OBBQAVMWFRYPFP-UHFFFAOYSA-N -1 0 380.150 3.583 20 5 GHBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833009353 602081926 /nfs/dbraw/zinc/08/19/26/602081926.db2.gz JXLZPIWPUIEWJQ-CYBMUJFWSA-N -1 0 385.159 3.588 20 5 GHBDRM C[C@@H](Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000827767750 602249981 /nfs/dbraw/zinc/24/99/81/602249981.db2.gz JQITWRJMTHPLKA-SNVBAGLBSA-N -1 0 387.783 3.700 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCc2cnn(Cc3ccccc3)c2)cc1Cl ZINC000833307448 602252508 /nfs/dbraw/zinc/25/25/08/602252508.db2.gz NJGAALSFGUCNFT-UHFFFAOYSA-N -1 0 386.795 3.803 20 5 GHBDRM Cc1cc(NCCC2CCN(CC(F)(F)F)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574159098 602323204 /nfs/dbraw/zinc/32/32/04/602323204.db2.gz FFGXXYYIEFAWQN-UHFFFAOYSA-N -1 0 389.374 3.678 20 5 GHBDRM O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740380702 602507100 /nfs/dbraw/zinc/50/71/00/602507100.db2.gz MBDZWSPPPTXHCX-UHFFFAOYSA-N -1 0 387.417 3.756 20 5 GHBDRM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000740520283 602678734 /nfs/dbraw/zinc/67/87/34/602678734.db2.gz WEAMBQLAFFAKSD-BXUZGUMPSA-N -1 0 376.438 3.563 20 5 GHBDRM CCN(Cc1ccccc1NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000739449639 603350345 /nfs/dbraw/zinc/35/03/45/603350345.db2.gz ZQTUQMRMHDYOGK-CYBMUJFWSA-N -1 0 386.408 3.977 20 5 GHBDRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000829174736 603362207 /nfs/dbraw/zinc/36/22/07/603362207.db2.gz WHHNWMYHGVIRDV-VIFPVBQESA-N -1 0 393.783 3.838 20 5 GHBDRM Cc1cc([C@H](C)OC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)oc1C(=O)[O-] ZINC000832874834 604548785 /nfs/dbraw/zinc/54/87/85/604548785.db2.gz LWLLNCJSKYKJJK-QWRGUYRKSA-N -1 0 379.390 3.979 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830427547 604554827 /nfs/dbraw/zinc/55/48/27/604554827.db2.gz KDBZMEJHOQGSIM-ZDUSSCGKSA-N -1 0 386.408 3.862 20 5 GHBDRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000833213522 604631468 /nfs/dbraw/zinc/63/14/68/604631468.db2.gz IQQWRAAIOYSBIP-OAHLLOKOSA-N -1 0 385.376 3.858 20 5 GHBDRM O=C([O-])c1cccc(NC2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)c1 ZINC000833331310 604641077 /nfs/dbraw/zinc/64/10/77/604641077.db2.gz AUQAIFYTVBORHT-UHFFFAOYSA-N -1 0 392.415 3.922 20 5 GHBDRM CN(C(=O)[O-])c1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000830513647 604950382 /nfs/dbraw/zinc/95/03/82/604950382.db2.gz FJSHCVDTHLIGNY-UHFFFAOYSA-N -1 0 384.392 3.906 20 5 GHBDRM C[C@H]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCCC(=O)[O-])C2)C1 ZINC000833613190 605119149 /nfs/dbraw/zinc/11/91/49/605119149.db2.gz 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GHBDRM C/C(=C\C(=O)N(CCCC(=O)[O-])Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000833381476 605363926 /nfs/dbraw/zinc/36/39/26/605363926.db2.gz GOFROAYGEYQUGW-JQIJEIRASA-N -1 0 382.416 3.892 20 5 GHBDRM CC(C)Oc1c(F)cc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1F ZINC000833505397 605372404 /nfs/dbraw/zinc/37/24/04/605372404.db2.gz JKRJLFMKUMHQIV-UHFFFAOYSA-N -1 0 380.303 3.611 20 5 GHBDRM O=C([O-])N1CCCCC[C@H]1c1noc(C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC000834109930 605721476 /nfs/dbraw/zinc/72/14/76/605721476.db2.gz ULTKDUVMIVGDLR-LBPRGKRZSA-N -1 0 382.323 3.713 20 5 GHBDRM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120114705 834548569 /nfs/dbraw/zinc/54/85/69/834548569.db2.gz KLANVGCFPKWGAR-UHFFFAOYSA-N -1 0 377.241 3.528 20 5 GHBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC(c2nc3ccccc3s2)CC1 ZINC000536104356 834883088 /nfs/dbraw/zinc/88/30/88/834883088.db2.gz ZODDOCOGDZYGND-UHFFFAOYSA-N -1 0 383.429 3.930 20 5 GHBDRM COc1c(F)cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 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XOCUWBMQUPYDGY-UHFFFAOYSA-N -1 0 397.612 3.919 20 5 GHBDRM COc1ccc(COCCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000612628095 836511010 /nfs/dbraw/zinc/51/10/10/836511010.db2.gz QTWRVLUOITYDAH-UHFFFAOYSA-N -1 0 380.784 3.508 20 5 GHBDRM C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160326643 838281353 /nfs/dbraw/zinc/28/13/53/838281353.db2.gz CPIDYZROUCMQMY-GTNSWQLSSA-N -1 0 376.796 3.556 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccc2)ccc1[O-] ZINC000517638368 838797189 /nfs/dbraw/zinc/79/71/89/838797189.db2.gz QNMYRQTWMLOGMF-UHFFFAOYSA-N -1 0 393.808 3.545 20 5 GHBDRM CCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000431861684 838902334 /nfs/dbraw/zinc/90/23/34/838902334.db2.gz YWKTWVTYGGUXLL-IBGZPJMESA-N -1 0 394.383 3.702 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2Br)ccc1[N+](=O)[O-] ZINC000120175450 839386498 /nfs/dbraw/zinc/38/64/98/839386498.db2.gz SCTQFHRJMXAEHH-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)cc1C ZINC000060442756 841234874 /nfs/dbraw/zinc/23/48/74/841234874.db2.gz QBEJWEOBLFKSCK-UHFFFAOYSA-N -1 0 398.444 3.778 20 5 GHBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000157305103 841795457 /nfs/dbraw/zinc/79/54/57/841795457.db2.gz SYOFHIFQZUQSPU-UHFFFAOYSA-N -1 0 387.417 3.598 20 5 GHBDRM CC1CCN(c2ccc(C(=O)NCCCCCCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000236729844 841849227 /nfs/dbraw/zinc/84/92/27/841849227.db2.gz YPAHOFBXCKDVBB-UHFFFAOYSA-N -1 0 391.468 3.596 20 5 GHBDRM O=C([O-])[C@H](CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000585728321 842212090 /nfs/dbraw/zinc/21/20/90/842212090.db2.gz NQTPEZHBHXWKPO-CQSZACIVSA-N -1 0 393.193 3.554 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000164697553 842461089 /nfs/dbraw/zinc/46/10/89/842461089.db2.gz HUNUSWNWJSZUHJ-SFHVURJKSA-N -1 0 390.823 3.540 20 5 GHBDRM Cc1cc(N2CCN(Cc3ccc(Cl)s3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581887369 842464171 /nfs/dbraw/zinc/46/41/71/842464171.db2.gz ODSYPXUTQZOLNF-UHFFFAOYSA-N -1 0 395.868 3.639 20 5 GHBDRM COc1c(Br)cccc1/C=C/c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000187634431 842960415 /nfs/dbraw/zinc/96/04/15/842960415.db2.gz IGZKRJJLGWQMPT-AATRIKPKSA-N -1 0 379.166 3.630 20 5 GHBDRM CCN(CC)C(=O)c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000432570480 843176888 /nfs/dbraw/zinc/17/68/88/843176888.db2.gz VOLZAZYPGCDKLF-UHFFFAOYSA-N -1 0 391.811 3.688 20 5 GHBDRM O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000375646387 844820207 /nfs/dbraw/zinc/82/02/07/844820207.db2.gz DWCUXTHWTSPMJX-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM CCOC(=O)c1cc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1Cl ZINC000603988030 861511443 /nfs/dbraw/zinc/51/14/43/861511443.db2.gz XTGQUONXFNMBGO-UHFFFAOYSA-N -1 0 398.824 3.534 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C2CC2)cc1C ZINC000574073459 845203018 /nfs/dbraw/zinc/20/30/18/845203018.db2.gz PAGUATFNZSLRKW-UHFFFAOYSA-N -1 0 392.481 3.742 20 5 GHBDRM O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436967599 845278243 /nfs/dbraw/zinc/27/82/43/845278243.db2.gz QOHJHJGWQYVQIL-UHFFFAOYSA-N -1 0 376.275 3.540 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])noc1-c1ccccc1F ZINC000433146891 845502327 /nfs/dbraw/zinc/50/23/27/845502327.db2.gz AYOVHBSUDUKBGG-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM Cc1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(C)n1[C@H]1CCCOC1 ZINC000599735896 861575404 /nfs/dbraw/zinc/57/54/04/861575404.db2.gz ZOHOCQVRTYGSDT-ZDUSSCGKSA-N -1 0 393.827 3.976 20 5 GHBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000262970425 845729819 /nfs/dbraw/zinc/72/98/19/845729819.db2.gz MQUOHZZKKQEYBL-BBRMVZONSA-N -1 0 384.388 3.570 20 5 GHBDRM O=C(Nc1ccc2[n-]c(=S)oc2c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000158388032 847392431 /nfs/dbraw/zinc/39/24/31/847392431.db2.gz NXFCIMOYFAEDSP-UHFFFAOYSA-N -1 0 398.444 3.880 20 5 GHBDRM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1(c2ccccc2)CCCC1 ZINC001211548726 847583630 /nfs/dbraw/zinc/58/36/30/847583630.db2.gz FJTVVZNWOLJPEK-CQSZACIVSA-N -1 0 392.452 3.913 20 5 GHBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000422558063 847690797 /nfs/dbraw/zinc/69/07/97/847690797.db2.gz MNUOMIBIRNTYRV-UHFFFAOYSA-N -1 0 392.358 3.607 20 5 GHBDRM O=C(NCCCCc1nc(-c2cccnc2)cs1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000479671662 847787393 /nfs/dbraw/zinc/78/73/93/847787393.db2.gz AQPYQMOVYLPYDS-UHFFFAOYSA-N -1 0 398.444 3.572 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2cccc(Cl)c2n1 ZINC000502492590 847955653 /nfs/dbraw/zinc/95/56/53/847955653.db2.gz PXPKSVXTLZYFKO-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cc1 ZINC000731781321 861886819 /nfs/dbraw/zinc/88/68/19/861886819.db2.gz MEFJDPADCCYUSN-UHFFFAOYSA-N -1 0 375.450 3.694 20 5 GHBDRM O=C(NCc1cccc(COCc2ccccc2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000122017598 848858639 /nfs/dbraw/zinc/85/86/39/848858639.db2.gz OXORAVCGJQYTTQ-UHFFFAOYSA-N -1 0 392.411 3.947 20 5 GHBDRM COc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c(C)c1C ZINC000572914633 848960505 /nfs/dbraw/zinc/96/05/05/848960505.db2.gz YMRCVZBJIQRSER-UHFFFAOYSA-N -1 0 378.450 3.946 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)cc1C ZINC000509596860 850115853 /nfs/dbraw/zinc/11/58/53/850115853.db2.gz VKUWDTJFODQEOZ-UHFFFAOYSA-N -1 0 388.449 3.943 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425014422 850865082 /nfs/dbraw/zinc/86/50/82/850865082.db2.gz DKILORCNTQJWBJ-UHFFFAOYSA-N -1 0 387.461 3.656 20 5 GHBDRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175013388 851321308 /nfs/dbraw/zinc/32/13/08/851321308.db2.gz OGPBLLYQPSSDJQ-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000604490797 862248993 /nfs/dbraw/zinc/24/89/93/862248993.db2.gz FMMMTLOQJKVWFG-UHFFFAOYSA-N -1 0 382.413 3.841 20 5 GHBDRM O=C(Nc1ccnn1[C@@H]1CCCc2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506171156 851956844 /nfs/dbraw/zinc/95/68/44/851956844.db2.gz CQCBXUGNXCHJCH-GOSISDBHSA-N -1 0 378.388 3.675 20 5 GHBDRM COc1ccc(-c2nc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)sc2C)cc1 ZINC000436633919 852128457 /nfs/dbraw/zinc/12/84/57/852128457.db2.gz DTDQKHSRYIGPQJ-UHFFFAOYSA-N -1 0 385.401 3.993 20 5 GHBDRM COc1ccc(-c2ccc(CNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)s2)cc1 ZINC000436641966 852150822 /nfs/dbraw/zinc/15/08/22/852150822.db2.gz YGAKMUFORKOXFD-UHFFFAOYSA-N -1 0 384.413 3.968 20 5 GHBDRM C[C@@H]1c2cccc(Br)c2CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436701382 852218977 /nfs/dbraw/zinc/21/89/77/852218977.db2.gz DBQFWRMWTGHKQW-SNVBAGLBSA-N -1 0 391.221 3.822 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000506211814 852282230 /nfs/dbraw/zinc/28/22/30/852282230.db2.gz UWGJZWPTPQBKDG-INIZCTEOSA-N -1 0 397.214 3.821 20 5 GHBDRM C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000151196669 852367305 /nfs/dbraw/zinc/36/73/05/852367305.db2.gz FRKREGRCLJUZQD-ZBEGNZNMSA-N -1 0 376.796 3.556 20 5 GHBDRM COc1ccccc1[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000426769328 852374408 /nfs/dbraw/zinc/37/44/08/852374408.db2.gz HYJYREFNPARQEU-QGZVFWFLSA-N -1 0 399.428 3.642 20 5 GHBDRM CN(Cc1cscn1)Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000151193562 852398498 /nfs/dbraw/zinc/39/84/98/852398498.db2.gz DQPNEPKCSIWRGH-UHFFFAOYSA-N -1 0 398.444 3.641 20 5 GHBDRM C[C@H](NC(=O)c1cc(F)cc(Br)c1[O-])c1cccc([N+](=O)[O-])c1 ZINC000436850292 852416036 /nfs/dbraw/zinc/41/60/36/852416036.db2.gz HDKDFQXENHKXSH-QMMMGPOBSA-N -1 0 383.173 3.693 20 5 GHBDRM O=C(NCCCCc1nc(-c2cccnc2)cs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436962198 852532387 /nfs/dbraw/zinc/53/23/87/852532387.db2.gz DLVMSTLHERBDBT-UHFFFAOYSA-N -1 0 398.444 3.572 20 5 GHBDRM COc1cc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1OC1CCCC1 ZINC000436950790 852540713 /nfs/dbraw/zinc/54/07/13/852540713.db2.gz CVWPXUURVOPSCB-UHFFFAOYSA-N -1 0 386.404 3.560 20 5 GHBDRM CC(=O)Nc1sc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000436955913 852546760 /nfs/dbraw/zinc/54/67/60/852546760.db2.gz NLAFNQNRRXHTAX-UHFFFAOYSA-N -1 0 398.400 3.635 20 5 GHBDRM C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507082166 852546753 /nfs/dbraw/zinc/54/67/53/852546753.db2.gz DCNZRAAJSZNGMT-SECBINFHSA-N -1 0 397.200 3.563 20 5 GHBDRM CCOCCOc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436985057 852593440 /nfs/dbraw/zinc/59/34/40/852593440.db2.gz BURYDOHBANOGFM-UHFFFAOYSA-N -1 0 380.784 3.621 20 5 GHBDRM CC[C@](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507334910 852783337 /nfs/dbraw/zinc/78/33/37/852783337.db2.gz SBOXFMPDNNRYTH-GOSISDBHSA-N -1 0 376.796 3.677 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2nc3c(ccc(F)c3F)s2)c1 ZINC000543637240 852796890 /nfs/dbraw/zinc/79/68/90/852796890.db2.gz NXNCINNVDUFWQT-UHFFFAOYSA-N -1 0 399.400 3.900 20 5 GHBDRM C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506361194 852842881 /nfs/dbraw/zinc/84/28/81/852842881.db2.gz HEGXSSXIBZXAKN-APPDUMDISA-N -1 0 376.796 3.556 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000438805542 852886455 /nfs/dbraw/zinc/88/64/55/852886455.db2.gz MZBQIJRNILGHNJ-UHFFFAOYSA-N -1 0 383.159 3.981 20 5 GHBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000490776135 853251548 /nfs/dbraw/zinc/25/15/48/853251548.db2.gz IWZFSWYYXFHXCG-UHFFFAOYSA-N -1 0 383.379 3.941 20 5 GHBDRM O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506480182 853261616 /nfs/dbraw/zinc/26/16/16/853261616.db2.gz KXCQJTBDMQVRBO-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM O=C(Cc1coc(-c2ccc(F)cc2)n1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000186060230 862625086 /nfs/dbraw/zinc/62/50/86/862625086.db2.gz KHNYGPZEYAKIMU-UHFFFAOYSA-N -1 0 391.742 3.929 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OCC(F)(F)F)c1 ZINC000057123929 855224689 /nfs/dbraw/zinc/22/46/89/855224689.db2.gz BTDMMVJEQPFBFQ-UHFFFAOYSA-N -1 0 390.339 3.645 20 5 GHBDRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[C@H](C)F ZINC000590143381 855296321 /nfs/dbraw/zinc/29/63/21/855296321.db2.gz QURUEUQEJZQCJR-LBPRGKRZSA-N -1 0 397.428 3.564 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)c1 ZINC000542716110 855544744 /nfs/dbraw/zinc/54/47/44/855544744.db2.gz APUUWIXZPVNQAM-CYBMUJFWSA-N -1 0 380.470 3.816 20 5 GHBDRM O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164373944 862794678 /nfs/dbraw/zinc/79/46/78/862794678.db2.gz HPSFNWATBHZFQB-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)cc1C ZINC000427649522 856460291 /nfs/dbraw/zinc/46/02/91/856460291.db2.gz YQPWJRZZMVVHAG-UHFFFAOYSA-N -1 0 381.797 3.807 20 5 GHBDRM COc1ccc(C2(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CCCC2)cc1 ZINC000485643329 856894725 /nfs/dbraw/zinc/89/47/25/856894725.db2.gz LVOCFIYHIDMLRH-UHFFFAOYSA-N -1 0 384.388 3.501 20 5 GHBDRM O=C([O-])c1cc(C(=O)Nc2ccccc2OCc2cscn2)cc([N+](=O)[O-])c1 ZINC000485662216 856923628 /nfs/dbraw/zinc/92/36/28/856923628.db2.gz OEOCLJGPWDOZGF-UHFFFAOYSA-N -1 0 399.384 3.581 20 5 GHBDRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000485755883 857049838 /nfs/dbraw/zinc/04/98/38/857049838.db2.gz RAJSBTZKPQVDCB-LBPRGKRZSA-N -1 0 376.796 3.611 20 5 GHBDRM CC[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000469706495 857111433 /nfs/dbraw/zinc/11/14/33/857111433.db2.gz ZJNDXLDQAJZVRS-VIFPVBQESA-N -1 0 375.328 3.657 20 5 GHBDRM CC(C)CCn1ncc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C(C)C ZINC000486088099 857413832 /nfs/dbraw/zinc/41/38/32/857413832.db2.gz LSXHUUMTRSSSOC-UHFFFAOYSA-N -1 0 380.470 3.762 20 5 GHBDRM C[C@H](N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(OC(F)F)cc1 ZINC000486136592 857476192 /nfs/dbraw/zinc/47/61/92/857476192.db2.gz KHCCCHDCHMVRGY-JTQLQIEISA-N -1 0 376.319 3.841 20 5 GHBDRM CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000442229450 857619840 /nfs/dbraw/zinc/61/98/40/857619840.db2.gz BBHBGKYIAVDHRK-UHFFFAOYSA-N -1 0 398.824 3.552 20 5 GHBDRM CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000442235117 857661183 /nfs/dbraw/zinc/66/11/83/857661183.db2.gz QORSHCFUUMUNMU-UHFFFAOYSA-N -1 0 398.824 3.552 20 5 GHBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000486589643 857886128 /nfs/dbraw/zinc/88/61/28/857886128.db2.gz GHZLJUBWQRKUON-OAHLLOKOSA-N -1 0 396.321 3.533 20 5 GHBDRM COc1ccc2nc(C3CC3)cc(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)c2c1 ZINC000439060850 858177003 /nfs/dbraw/zinc/17/70/03/858177003.db2.gz QITCNVMKABYALM-UHFFFAOYSA-N -1 0 379.372 3.987 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCO[C@H](c2ccccc2)C1 ZINC000592758002 858187892 /nfs/dbraw/zinc/18/78/92/858187892.db2.gz CNZRAIOLVDGFPI-INIZCTEOSA-N -1 0 376.796 3.558 20 5 GHBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000439110454 858381054 /nfs/dbraw/zinc/38/10/54/858381054.db2.gz YNADAFLLJHDHFB-UHFFFAOYSA-N -1 0 380.838 3.811 20 5 GHBDRM O=C([O-])C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)C1CC1 ZINC000595249870 858451627 /nfs/dbraw/zinc/45/16/27/858451627.db2.gz LLBMSCKWHJOPQQ-CYBMUJFWSA-N -1 0 392.477 3.860 20 5 GHBDRM COCC[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000592976230 858468403 /nfs/dbraw/zinc/46/84/03/858468403.db2.gz MWTMFVAIZNFDHF-CYBMUJFWSA-N -1 0 399.325 3.897 20 5 GHBDRM CC(C)(C)n1cnc(=NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[n-]1 ZINC000543174850 858731852 /nfs/dbraw/zinc/73/18/52/858731852.db2.gz CWZWAAXDXNASRL-UHFFFAOYSA-N -1 0 397.460 3.767 20 5 GHBDRM O=C(c1ccccc1)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000509625347 859017830 /nfs/dbraw/zinc/01/78/30/859017830.db2.gz ZRRPRVGNABQELU-UHFFFAOYSA-N -1 0 382.397 3.627 20 5 GHBDRM Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000509379107 859234175 /nfs/dbraw/zinc/23/41/75/859234175.db2.gz OSBVPLLBUTVMPP-UHFFFAOYSA-N -1 0 395.746 3.771 20 5 GHBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000535780359 859307485 /nfs/dbraw/zinc/30/74/85/859307485.db2.gz FXIOLQGTMOYOKK-UHFFFAOYSA-N -1 0 389.458 3.703 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000318242873 859756269 /nfs/dbraw/zinc/75/62/69/859756269.db2.gz BBRVSDFDBLDLFR-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)cc1[N+](=O)[O-] ZINC000765105126 859783738 /nfs/dbraw/zinc/78/37/38/859783738.db2.gz IOACKCHWRRAEJG-UHFFFAOYSA-N -1 0 386.861 3.600 20 5 GHBDRM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000484073736 859788585 /nfs/dbraw/zinc/78/85/85/859788585.db2.gz JADVXYOTKHEARV-UHFFFAOYSA-N -1 0 388.804 3.975 20 5 GHBDRM CCSCc1ccnc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000123736641 860063121 /nfs/dbraw/zinc/06/31/21/860063121.db2.gz CZVXBBDZHJQORE-UHFFFAOYSA-N -1 0 381.479 3.661 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)sc1Br ZINC000123754824 860072337 /nfs/dbraw/zinc/07/23/37/860072337.db2.gz ZSRCIBGYXAVYCR-UHFFFAOYSA-N -1 0 391.268 3.836 20 5 GHBDRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000474449238 860121794 /nfs/dbraw/zinc/12/17/94/860121794.db2.gz VCGLRHHNCAMZSN-UHFFFAOYSA-N -1 0 377.715 3.599 20 5 GHBDRM O=C(Nc1ccc(OC(F)F)c2ncccc12)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185428539 860205963 /nfs/dbraw/zinc/20/59/63/860205963.db2.gz YSPVWIUPGUMYEZ-UHFFFAOYSA-N -1 0 375.287 3.702 20 5 GHBDRM Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)c1 ZINC000093929132 860377042 /nfs/dbraw/zinc/37/70/42/860377042.db2.gz FRBWVCVCMVSCGP-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O ZINC000758165096 860421277 /nfs/dbraw/zinc/42/12/77/860421277.db2.gz ZRHHROGHYLEFSW-UHFFFAOYSA-N -1 0 395.195 3.856 20 5 GHBDRM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000124977104 860547127 /nfs/dbraw/zinc/54/71/27/860547127.db2.gz XLTODKSPBFQIGH-UHFFFAOYSA-N -1 0 377.784 3.801 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ncc(-c2ccccc2)s1 ZINC000603598500 860913663 /nfs/dbraw/zinc/91/36/63/860913663.db2.gz HPAVIOSNBGMWNH-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cnn(-c2ccccc2Cl)c1 ZINC000730203531 860950338 /nfs/dbraw/zinc/95/03/38/860950338.db2.gz BYDBRVDISORSJR-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM O=C(c1cnn(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)c1cc(F)ccc1[O-] ZINC000603741146 861106387 /nfs/dbraw/zinc/10/63/87/861106387.db2.gz HTILOYHBAZPALZ-UHFFFAOYSA-N -1 0 395.268 3.875 20 5 GHBDRM CCC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000733675946 863106303 /nfs/dbraw/zinc/10/63/03/863106303.db2.gz KOBYUNHXKRYQGW-KRWDZBQOSA-N -1 0 396.509 3.928 20 5 GHBDRM CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000733681557 863108137 /nfs/dbraw/zinc/10/81/37/863108137.db2.gz WYRFMWHMCSAVBH-OAHLLOKOSA-N -1 0 382.482 3.705 20 5 GHBDRM O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000557050714 881632636 /nfs/dbraw/zinc/63/26/36/881632636.db2.gz MBFNPLWTRFEBQV-AULYBMBSSA-N -1 0 380.322 3.995 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C(C)C ZINC000499265531 881797657 /nfs/dbraw/zinc/79/76/57/881797657.db2.gz KGTVMADWPOAMPA-UHFFFAOYSA-N -1 0 380.470 3.680 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n(-c2ccccc2)n1 ZINC000481053666 865749788 /nfs/dbraw/zinc/74/97/88/865749788.db2.gz FUEUNZWOTMLYSY-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000608955755 865880582 /nfs/dbraw/zinc/88/05/82/865880582.db2.gz ILDMYRIZELMOCG-UHFFFAOYSA-N -1 0 388.804 3.975 20 5 GHBDRM O=C(Nc1c(O)cccc1Cl)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000552783278 866257609 /nfs/dbraw/zinc/25/76/09/866257609.db2.gz LVIKEMPDMXCTRS-UHFFFAOYSA-N -1 0 375.812 3.809 20 5 GHBDRM COCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cccc(C(F)(F)F)c1 ZINC000456299189 866364926 /nfs/dbraw/zinc/36/49/26/866364926.db2.gz SHSBBQMOHJHKNJ-CQSZACIVSA-N -1 0 398.337 3.827 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(Br)c1C ZINC000524018689 868401003 /nfs/dbraw/zinc/40/10/03/868401003.db2.gz NAJOXRAHELFFBL-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)c1C ZINC000479999374 868881031 /nfs/dbraw/zinc/88/10/31/868881031.db2.gz YVSJKXGIDYPCHV-UHFFFAOYSA-N -1 0 381.479 3.738 20 5 GHBDRM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)cc1 ZINC000462360094 869292190 /nfs/dbraw/zinc/29/21/90/869292190.db2.gz ORDAOZUVJBQAHC-UHFFFAOYSA-N -1 0 399.428 3.783 20 5 GHBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1nc2ccc(Cl)cc2s1 ZINC000539598519 869404615 /nfs/dbraw/zinc/40/46/15/869404615.db2.gz 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Cc1ccccc1Oc1ccccc1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525688404 871242549 /nfs/dbraw/zinc/24/25/49/871242549.db2.gz DYFZXOGSXYPXKK-UHFFFAOYSA-N -1 0 399.428 3.569 20 5 GHBDRM COc1ccc(-c2n[n-]c(=NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)o2)cc1 ZINC000463256437 871311554 /nfs/dbraw/zinc/31/15/54/871311554.db2.gz NQFSQEAOJXITHG-UHFFFAOYSA-N -1 0 392.371 3.947 20 5 GHBDRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)c2)n1 ZINC000443404872 872258318 /nfs/dbraw/zinc/25/83/18/872258318.db2.gz UZCUASARNOUFSX-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc1[N+](=O)[O-] ZINC000447790120 872303405 /nfs/dbraw/zinc/30/34/05/872303405.db2.gz WDACRPJQRNAQQM-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM Cc1ccc(-c2cc(=NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)[nH][n-]2)o1 ZINC000447807788 872334662 /nfs/dbraw/zinc/33/46/62/872334662.db2.gz UCALKRNWFMGXAO-UHFFFAOYSA-N -1 0 398.422 3.507 20 5 GHBDRM Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)cc2=O)cc1 ZINC000552395501 872563479 /nfs/dbraw/zinc/56/34/79/872563479.db2.gz JHPLJZBCZJKDHB-UHFFFAOYSA-N -1 0 394.431 3.932 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1CC(F)(F)F ZINC000619467471 872662520 /nfs/dbraw/zinc/66/25/20/872662520.db2.gz JCBBDTXDNTUQEM-UHFFFAOYSA-N -1 0 390.339 3.509 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c3c(cccc31)CC2 ZINC000619466510 872663032 /nfs/dbraw/zinc/66/30/32/872663032.db2.gz SULCKXNEXLNQIN-UHFFFAOYSA-N -1 0 384.413 3.656 20 5 GHBDRM COc1ccc(/C=C/c2nc(-c3ccccc3)ncc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000443441767 872709055 /nfs/dbraw/zinc/70/90/55/872709055.db2.gz KOCMYSQUUHRGPY-VQHVLOKHSA-N -1 0 377.356 3.929 20 5 GHBDRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C2 ZINC000541208182 873136752 /nfs/dbraw/zinc/13/67/52/873136752.db2.gz WXBLAEBTQGHYEN-LHSJRXKWSA-N -1 0 396.399 3.714 20 5 GHBDRM COc1ccc(F)c(S(=O)(=O)[N-]c2cccc3nc4ccccc4nc23)c1 ZINC001196763528 873334552 /nfs/dbraw/zinc/33/45/52/873334552.db2.gz ZKYZFINUBSQDCQ-UHFFFAOYSA-N -1 0 383.404 3.732 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cnc1N1CCCC[C@@H]1C ZINC000768865885 873629988 /nfs/dbraw/zinc/62/99/88/873629988.db2.gz MFBZPYOOEOTBLL-LBPRGKRZSA-N -1 0 396.494 3.539 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000804412348 882802794 /nfs/dbraw/zinc/80/27/94/882802794.db2.gz OTQFNGXNYIMAEB-OAQYLSRUSA-N -1 0 392.411 3.676 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000537650621 882864271 /nfs/dbraw/zinc/86/42/71/882864271.db2.gz JAAWJKOTFGCPQG-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM O=C(Nc1cc(F)ccc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccoc1 ZINC000776193802 875735493 /nfs/dbraw/zinc/73/54/93/875735493.db2.gz GSTBMZWSMZUYTM-UHFFFAOYSA-N -1 0 385.307 3.537 20 5 GHBDRM O=C(Nc1ccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1)OCC(F)(F)F ZINC000776193748 875737064 /nfs/dbraw/zinc/73/70/64/875737064.db2.gz FKYJOUIGCKYEEB-UHFFFAOYSA-N -1 0 399.281 3.664 20 5 GHBDRM C[C@@H]1[C@@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C(=O)OC(C)(C)C ZINC000787218691 877231206 /nfs/dbraw/zinc/23/12/06/877231206.db2.gz JAAYXFUTSCJXLM-KOLCDFICSA-N -1 0 399.831 3.538 20 5 GHBDRM CSc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 ZINC000153188908 877562144 /nfs/dbraw/zinc/56/21/44/877562144.db2.gz PWIMAEIXLIBMCY-UHFFFAOYSA-N -1 0 390.446 3.508 20 5 GHBDRM CCOc1ccc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1OCC ZINC000616241455 878690465 /nfs/dbraw/zinc/69/04/65/878690465.db2.gz WXSGFLFDTIXYHJ-UHFFFAOYSA-N -1 0 394.449 3.810 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc3c(cn2)CCCC3)cc1[N+](=O)[O-] ZINC000461223319 879418343 /nfs/dbraw/zinc/41/83/43/879418343.db2.gz WLRXFCHOEMTGRA-UHFFFAOYSA-N -1 0 381.841 3.631 20 5 GHBDRM O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000461237131 879452637 /nfs/dbraw/zinc/45/26/37/879452637.db2.gz NWIXMWLWFBNJHF-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM CC(C)C[C@H](NC(=O)OC(C)(C)C)c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000790215312 879535443 /nfs/dbraw/zinc/53/54/43/879535443.db2.gz PCTLQWUNPXMUHM-LBPRGKRZSA-N -1 0 392.412 3.962 20 5 GHBDRM Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000790382285 879654498 /nfs/dbraw/zinc/65/44/98/879654498.db2.gz SHWPMEDVWUHMIY-UHFFFAOYSA-N -1 0 385.785 3.574 20 5 GHBDRM CCOc1ccc([N+](=O)[O-])cc1CN=c1[n-]nc(Cc2ccc(Cl)cc2)o1 ZINC000538592902 879764659 /nfs/dbraw/zinc/76/46/59/879764659.db2.gz WHLBCUFRDMMUAB-UHFFFAOYSA-N -1 0 388.811 3.655 20 5 GHBDRM O=C(NCCc1nc2cc(Cl)ccc2s1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000531521042 880019695 /nfs/dbraw/zinc/01/96/95/880019695.db2.gz BKQHSQPKBHWIEN-UHFFFAOYSA-N -1 0 377.809 3.536 20 5 GHBDRM COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000609305891 881208023 /nfs/dbraw/zinc/20/80/23/881208023.db2.gz MPABLYVSRFIMEO-UHFFFAOYSA-N -1 0 394.449 3.808 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000477162113 883835371 /nfs/dbraw/zinc/83/53/71/883835371.db2.gz FTOZXOLFQZASIS-NILFDRSVSA-N -1 0 399.255 3.518 20 5 GHBDRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000760365439 884021412 /nfs/dbraw/zinc/02/14/12/884021412.db2.gz SKIWKTLCZUDUIX-UHFFFAOYSA-N -1 0 392.767 3.644 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(C)(C)C)cc1[N+](=O)[O-] ZINC000498507400 884661637 /nfs/dbraw/zinc/66/16/37/884661637.db2.gz RBTOHOQCAHEBCZ-UHFFFAOYSA-N -1 0 398.412 3.721 20 5 GHBDRM Cc1csc(-c2ccc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2)n1 ZINC000237667857 884780191 /nfs/dbraw/zinc/78/01/91/884780191.db2.gz MFPMYPZQRDUMIB-UHFFFAOYSA-N -1 0 383.385 3.977 20 5 GHBDRM CC(C)n1ncc2c1nc(/C=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])cc2C(=O)[O-] ZINC000806560959 884813309 /nfs/dbraw/zinc/81/33/09/884813309.db2.gz SAFMUKQCJYYSCP-HYXAFXHYSA-N -1 0 397.347 3.697 20 5 GHBDRM C[C@@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000263440136 884869485 /nfs/dbraw/zinc/86/94/85/884869485.db2.gz WEJYKSJZVMOLSI-VIFPVBQESA-N -1 0 383.198 3.522 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000807222224 885312617 /nfs/dbraw/zinc/31/26/17/885312617.db2.gz LMOWIDXGGMDSJQ-UHFFFAOYSA-N -1 0 376.275 3.540 20 5 GHBDRM CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C1CC1 ZINC000808119337 886030545 /nfs/dbraw/zinc/03/05/45/886030545.db2.gz LEJZRKAKWIZMEH-UHFFFAOYSA-N -1 0 398.872 3.779 20 5 GHBDRM CC1(C)[C@H](c2ccccc2F)CCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000864218170 887632288 /nfs/dbraw/zinc/63/22/88/887632288.db2.gz SPDWIZUDVQOGGM-INIZCTEOSA-N -1 0 386.379 3.840 20 5 GHBDRM CC(C)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(F)(F)F ZINC000809844513 887860681 /nfs/dbraw/zinc/86/06/81/887860681.db2.gz XLQHHMKIEKPXAJ-UHFFFAOYSA-N -1 0 395.186 3.768 20 5 GHBDRM CSc1ccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc1Cl 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CCc1cc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2n1 ZINC000194679798 893896843 /nfs/dbraw/zinc/89/68/43/893896843.db2.gz RKDBMSHZEAOTEQ-UHFFFAOYSA-N -1 0 387.417 3.515 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000566888157 896667260 /nfs/dbraw/zinc/66/72/60/896667260.db2.gz XDQGDMFQCYOCBD-UHFFFAOYSA-N -1 0 398.824 3.618 20 5 GHBDRM O=C(N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000567963328 897509752 /nfs/dbraw/zinc/50/97/52/897509752.db2.gz UUPVNLJJGOUBNP-OCCSQVGLSA-N -1 0 380.404 3.633 20 5 GHBDRM COc1ccccc1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000821116102 897718828 /nfs/dbraw/zinc/71/88/28/897718828.db2.gz JGSRVOMLHJWRKO-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM Cc1nc(C)c([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)s1 ZINC000821185330 897753251 /nfs/dbraw/zinc/75/32/51/897753251.db2.gz NISZNPBFWOLBEB-UHFFFAOYSA-N -1 0 382.250 3.776 20 5 GHBDRM CC(C)CC(C)(C)CNC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001137201858 898726490 /nfs/dbraw/zinc/72/64/90/898726490.db2.gz OTWHCXSZXGYJRS-UHFFFAOYSA-N -1 0 394.859 3.942 20 5 GHBDRM O=C([O-])Cc1ccc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000844208922 900602152 /nfs/dbraw/zinc/60/21/52/900602152.db2.gz BMAADOGBABWABN-UHFFFAOYSA-N -1 0 386.248 3.543 20 5 GHBDRM O=C([O-])c1cnc(C2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)s1 ZINC000600678057 902815066 /nfs/dbraw/zinc/81/50/66/902815066.db2.gz KGLOGCKENVIBEV-UHFFFAOYSA-N -1 0 384.417 3.682 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000577790180 903194810 /nfs/dbraw/zinc/19/48/10/903194810.db2.gz APFZTRPVOOZOMP-UHFFFAOYSA-N -1 0 390.339 3.857 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2OCC(F)F)c1 ZINC000579279929 904475349 /nfs/dbraw/zinc/47/53/49/904475349.db2.gz CDOOWSBSHHFTBH-UHFFFAOYSA-N -1 0 392.767 3.693 20 5 GHBDRM COc1cccc(Cn2nc(C)cc2Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174503972 907078285 /nfs/dbraw/zinc/07/82/85/907078285.db2.gz RGLVUVPNYNXHKX-UHFFFAOYSA-N -1 0 382.376 3.598 20 5 GHBDRM O=C([O-])c1ccc(Nc2ccc3nc(-c4ccccc4F)nn3c2)cc1[N+](=O)[O-] ZINC001174504557 907080284 /nfs/dbraw/zinc/08/02/84/907080284.db2.gz UOSJHFSUKQZMNL-UHFFFAOYSA-N -1 0 393.334 3.885 20 5 GHBDRM COc1c(F)cc(Br)cc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174505528 907080802 /nfs/dbraw/zinc/08/08/02/907080802.db2.gz XOFBUINWWRURLQ-UHFFFAOYSA-N -1 0 385.145 3.947 20 5 GHBDRM O=C(CCc1nnc(C2CCCC2)o1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000186051961 907872362 /nfs/dbraw/zinc/87/23/62/907872362.db2.gz VTDHFNWBOWHVMM-UHFFFAOYSA-N -1 0 380.788 3.566 20 5 GHBDRM CCOC(=O)C(C)(C)Oc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001176679510 908206867 /nfs/dbraw/zinc/20/68/67/908206867.db2.gz LMVFVPKEJMLALX-UHFFFAOYSA-N -1 0 388.376 3.757 20 5 GHBDRM CCOC(=O)Cc1ccc(Cl)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176679505 908207184 /nfs/dbraw/zinc/20/71/84/908207184.db2.gz LHXVXTZFAGFGKY-UHFFFAOYSA-N -1 0 378.768 3.796 20 5 GHBDRM O=C([O-])c1c(F)cccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000739485148 909486661 /nfs/dbraw/zinc/48/66/61/909486661.db2.gz NBCZORVVQHHPIS-UHFFFAOYSA-N -1 0 387.348 3.808 20 5 GHBDRM CC[C@](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795540344 911041901 /nfs/dbraw/zinc/04/19/01/911041901.db2.gz ALZBMFZWBLPBTG-ZCTDBXRUSA-N -1 0 388.807 3.768 20 5 GHBDRM CC(C)c1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)CCC2 ZINC001188858306 916262560 /nfs/dbraw/zinc/26/25/60/916262560.db2.gz VEHOSHSTBUDVEL-QGZVFWFLSA-N -1 0 390.461 3.780 20 5 GHBDRM O=C(NCc1csc(-c2ccco2)n1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001137318888 924582583 /nfs/dbraw/zinc/58/25/83/924582583.db2.gz WTBLEZAESMPBPZ-UHFFFAOYSA-N -1 0 379.781 3.600 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C(C)(C)C)nn1C(C)(C)C ZINC000409578297 924787945 /nfs/dbraw/zinc/78/79/45/924787945.db2.gz AYJXELWHFSLMHH-UHFFFAOYSA-N -1 0 394.497 3.953 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1Cl ZINC000751267319 928103212 /nfs/dbraw/zinc/10/32/12/928103212.db2.gz QATQSBDKNJFSOC-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM Cc1c(F)cccc1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000467079496 928670851 /nfs/dbraw/zinc/67/08/51/928670851.db2.gz ORLABKJTUVJWHQ-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OCCC(C)C)cc1 ZINC000467077649 928671130 /nfs/dbraw/zinc/67/11/30/928671130.db2.gz CLJYJPDZWWLJBL-UHFFFAOYSA-N -1 0 394.449 3.829 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(C)(C)C)nc3c2)c([N+](=O)[O-])c1 ZINC000467409921 929043987 /nfs/dbraw/zinc/04/39/87/929043987.db2.gz BQBBYZLPZKHAFV-UHFFFAOYSA-N -1 0 388.449 3.878 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)c(Cl)c1 ZINC000544667807 929410253 /nfs/dbraw/zinc/41/02/53/929410253.db2.gz DOUXBMDTKQJPEF-LBPRGKRZSA-N -1 0 386.779 3.648 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2nnc(C3CCCCC3)s2)c1 ZINC000758396668 930032284 /nfs/dbraw/zinc/03/22/84/930032284.db2.gz KYYHKZZHYMXWHT-UHFFFAOYSA-N -1 0 396.494 3.912 20 5 GHBDRM CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)ccc21 ZINC000780467222 930527783 /nfs/dbraw/zinc/52/77/83/930527783.db2.gz STWGZMKEBYAXEG-UHFFFAOYSA-N -1 0 399.403 3.850 20 5 GHBDRM Cc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2s1 ZINC000781120472 930707011 /nfs/dbraw/zinc/70/70/11/930707011.db2.gz MEVXECFYHKZATF-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM CC(C)(C(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000547240576 930836006 /nfs/dbraw/zinc/83/60/06/930836006.db2.gz ALUUNVGDKIQFQO-UHFFFAOYSA-N -1 0 380.379 3.529 20 5 GHBDRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Br)c2)c1 ZINC000782264432 931147475 /nfs/dbraw/zinc/14/74/75/931147475.db2.gz WJHFQLLEUZLAOE-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1occc1-c1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)no1 ZINC000783863635 931696720 /nfs/dbraw/zinc/69/67/20/931696720.db2.gz TVFSVOCWUWITGJ-UHFFFAOYSA-N -1 0 383.769 3.605 20 5 GHBDRM O=C([N-]S(=O)(=O)c1cccc2ccccc21)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000784574751 931945426 /nfs/dbraw/zinc/94/54/26/931945426.db2.gz UGYBIDBLDMRHEZ-UHFFFAOYSA-N -1 0 396.380 3.613 20 5 GHBDRM CC(C)(CC(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000796811911 932076158 /nfs/dbraw/zinc/07/61/58/932076158.db2.gz ABSHSJZOAFCAIL-UHFFFAOYSA-N -1 0 386.445 3.535 20 5 GHBDRM O=C([N-]CC1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)C(F)(F)F ZINC000798403147 932632916 /nfs/dbraw/zinc/63/29/16/932632916.db2.gz MXIFCZVZPAGZPI-UHFFFAOYSA-N -1 0 399.291 3.509 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC(Nc2ccccc2Cl)CC1 ZINC001116307200 933469848 /nfs/dbraw/zinc/46/98/48/933469848.db2.gz HFHHTULWEQBFHQ-UHFFFAOYSA-N -1 0 375.812 3.671 20 5 GHBDRM Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC001116511796 933601682 /nfs/dbraw/zinc/60/16/82/933601682.db2.gz MZYLHLQXWINETQ-UHFFFAOYSA-N -1 0 381.413 3.935 20 5 GHBDRM C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001137606373 935621360 /nfs/dbraw/zinc/62/13/60/935621360.db2.gz XGBXYIFNQFBGPN-SECBINFHSA-N -1 0 397.200 3.563 20 5 GHBDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1C ZINC000829927298 935882995 /nfs/dbraw/zinc/88/29/95/935882995.db2.gz PPZVBDOIDXDTCV-MRVPVSSYSA-N -1 0 390.824 3.664 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc([C@H]2CCOC2)cc1 ZINC000830008675 935889632 /nfs/dbraw/zinc/88/96/32/935889632.db2.gz GSEHTFOHKFNLFX-LBPRGKRZSA-N -1 0 382.825 3.553 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001589561294 948813706 /nfs/dbraw/zinc/81/37/06/948813706.db2.gz QKFDSDWNFAIBOY-NIKGAXFTSA-N -1 0 382.416 3.593 20 5 GHBDRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001595012196 951255447 /nfs/dbraw/zinc/25/54/47/951255447.db2.gz UIGMEZQUSNZFAW-HNNXBMFYSA-N -1 0 383.404 3.516 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000565917805 953618462 /nfs/dbraw/zinc/61/84/62/953618462.db2.gz RKYBVAOCBZPDPC-NRFANRHFSA-N -1 0 384.432 3.665 20 5 GHBDRM O=C([O-])c1ccsc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC001605725829 972353729 /nfs/dbraw/zinc/35/37/29/972353729.db2.gz SQNCIBCOCFXEAG-UHFFFAOYSA-N -1 0 378.409 3.553 20 5 GHBDRM Cc1ccc(Sc2ccc(C(=O)Nc3c[nH]nc3C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001594378417 958610235 /nfs/dbraw/zinc/61/02/35/958610235.db2.gz YYTHRPZJKJWHFF-UHFFFAOYSA-N -1 0 398.400 3.728 20 5 GHBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001594239800 959525653 /nfs/dbraw/zinc/52/56/53/959525653.db2.gz NGCTUZRSYQYBFC-VIFPVBQESA-N -1 0 380.809 3.602 20 5 GHBDRM Cc1c(Br)cc(C(=O)OCc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001594254137 959639016 /nfs/dbraw/zinc/63/90/16/959639016.db2.gz SHWVPKMOJNNXEN-UHFFFAOYSA-N -1 0 394.177 3.721 20 5 GHBDRM CC(C)(C)CC[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC001588652922 959785626 /nfs/dbraw/zinc/78/56/26/959785626.db2.gz JBDPMVDKMALGMB-ZDUSSCGKSA-N -1 0 391.449 3.728 20 5 GHBDRM COc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)c1 ZINC001574226023 962975772 /nfs/dbraw/zinc/97/57/72/962975772.db2.gz NGODPMAPWULMGY-SECBINFHSA-N -1 0 390.417 3.740 20 5 GHBDRM CC(C)Oc1cc(C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)ccc1[N+](=O)[O-] ZINC001591751528 975805589 /nfs/dbraw/zinc/80/55/89/975805589.db2.gz VYWHAJGMCZMUAL-UHFFFAOYSA-N -1 0 380.303 3.611 20 5 GHBDRM CC(C)Oc1cc(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001591751486 975805818 /nfs/dbraw/zinc/80/58/18/975805818.db2.gz SYAZQTXTHGYCGJ-UHFFFAOYSA-N -1 0 383.360 3.814 20 5 GHBDRM C[C@@H](C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001592598291 978530421 /nfs/dbraw/zinc/53/04/21/978530421.db2.gz BHIRYHHRSVQNGO-UONOGXRCSA-N -1 0 388.395 3.587 20 5 GHBDRM CC[C@](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)(C(=O)[O-])c1ccccc1 ZINC001595149840 979637573 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CC(C)(C)c1ccc(C(=O)N2CCCc3nc(C(=O)[O-])ccc32)cc1[N+](=O)[O-] ZINC001590472080 990042534 /nfs/dbraw/zinc/04/25/34/990042534.db2.gz IIMSGCGHWDNGAA-UHFFFAOYSA-N -1 0 383.404 3.579 20 5 GHBDRM CC(C)(C)c1nc2cc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)ccc2[nH]1 ZINC001590545676 990184464 /nfs/dbraw/zinc/18/44/64/990184464.db2.gz LTKBGISOUUYVTC-UHFFFAOYSA-N -1 0 382.376 3.719 20 5 GHBDRM CC(C)(CC(=O)[O-])CC(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001590637749 990329066 /nfs/dbraw/zinc/32/90/66/990329066.db2.gz VZEDTMBNROBOKI-UHFFFAOYSA-N -1 0 378.406 3.653 20 5 GHBDRM CC(C)[C@@H](C)N(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001590974333 991107537 /nfs/dbraw/zinc/10/75/37/991107537.db2.gz HLQDWVJNFITUCM-CYBMUJFWSA-N -1 0 392.433 3.533 20 5 GHBDRM COc1ccccc1C[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)C(=O)[O-] ZINC001599708246 991326434 /nfs/dbraw/zinc/32/64/34/991326434.db2.gz WZVZVHLAAOWASW-AWEZNQCLSA-N -1 0 381.388 3.507 20 5 GHBDRM 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COC(=O)c1nc(Br)sc1[N-]c1c(F)ccc([N+](=O)[O-])c1F ZINC001215292246 1029134501 /nfs/dbraw/zinc/13/45/01/1029134501.db2.gz PDJBXGBQOXQCBL-UHFFFAOYSA-N -1 0 394.153 3.622 20 5 GHBDRM Cc1cc(S(=O)(=O)[O-])c(Nc2c(F)ccc([N+](=O)[O-])c2F)cc1Cl ZINC001215297870 1029136238 /nfs/dbraw/zinc/13/62/38/1029136238.db2.gz RYWVKXAAXQJAPI-UHFFFAOYSA-N -1 0 378.740 3.825 20 5 GHBDRM COc1cc2c(cc1-c1noc(-c3ccc([N+](=O)[O-])cc3[O-])n1)CCCC2=O ZINC001216564262 1029688082 /nfs/dbraw/zinc/68/80/82/1029688082.db2.gz VTMGDTKUXRUZFB-UHFFFAOYSA-N -1 0 381.344 3.545 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2nc(-c3ccnc(OCc4ccccc4)c3)no2)c1[O-] ZINC001216702031 1029735282 /nfs/dbraw/zinc/73/52/82/1029735282.db2.gz HIXSXSVZKLSQIY-UHFFFAOYSA-N -1 0 390.355 3.991 20 5 GHBDRM O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2cc(Br)ccc2[S-])n1 ZINC001216753571 1029919974 /nfs/dbraw/zinc/91/99/74/1029919974.db2.gz HFUOTYHEQRPTOH-UHFFFAOYSA-N -1 0 397.185 3.897 20 5 GHBDRM COc1cc(-c2nc(-c3cccc4ccc(C)nc43)no2)cc([N+](=O)[O-])c1[O-] ZINC001216837257 1029955387 /nfs/dbraw/zinc/95/53/87/1029955387.db2.gz TUYFUJDZDMWGGI-UHFFFAOYSA-N -1 0 378.344 3.883 20 5 GHBDRM COc1ccc(-c2noc(-c3cc([O-])cc([N+](=O)[O-])c3)n2)c(OC(F)(F)F)c1 ZINC001216924299 1030004633 /nfs/dbraw/zinc/00/46/33/1030004633.db2.gz CJNZDLYGWLBLBU-UHFFFAOYSA-N -1 0 397.265 3.925 20 5 GHBDRM O=C1SCCN1Cc1ccccc1-c1noc(-c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001216925532 1030005733 /nfs/dbraw/zinc/00/57/33/1030005733.db2.gz QGSNMDWVFSDJNG-UHFFFAOYSA-N -1 0 398.400 3.686 20 5 GHBDRM CCC[C@@H]1CCCN(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])C1 ZINC001149900512 1030342131 /nfs/dbraw/zinc/34/21/31/1030342131.db2.gz RDPUAUWGQZLGQX-GFCCVEGCSA-N -1 0 392.843 3.792 20 5 GHBDRM O=c1c(-c2nc(-c3ccc4scnc4c3)no2)c[n-]c2ccc([N+](=O)[O-])cc21 ZINC001217438959 1030393726 /nfs/dbraw/zinc/39/37/26/1030393726.db2.gz RJUWLFZBUGVNRB-UHFFFAOYSA-N -1 0 391.368 3.763 20 5 GHBDRM C[NH2+][C@H]1C[C@H](Oc2cc([O-])c(CC=C(C)C)c3oc4c(O)cccc4c(=O)c23)C1 ZINC001217956118 1030687167 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WKTSIHXJBSWJCG-UHFFFAOYSA-N -1 0 399.343 3.536 20 5 GHBDRM O=c1oc2cc(OC[C@H]3COc4cscc4O3)ccc2c2ccc([O-])cc12 ZINC001229797412 1033723354 /nfs/dbraw/zinc/72/33/54/1033723354.db2.gz ANAXJANNZOJCFJ-ZDUSSCGKSA-N -1 0 382.393 3.932 20 5 GHBDRM COc1c([O-])cc2oc(-c3ccccc3)cc(=O)c2c1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001230088290 1033892157 /nfs/dbraw/zinc/89/21/57/1033892157.db2.gz FCQYYMZPUMRSNM-SFHVURJKSA-N -1 0 397.383 3.608 20 5 GHBDRM O=[N+]([O-])c1ccc(N2CCOCC2)cc1OC(=C([O-])c1ccco1)c1ccco1 ZINC001234360323 1039984355 /nfs/dbraw/zinc/98/43/55/1039984355.db2.gz PMUPSMNYLLIVNL-HXUWFJFHSA-N -1 0 398.371 3.620 20 5 GHBDRM CC(C)Oc1ccc(-c2nnc(-c3c[n-]c4ccc([N+](=O)[O-])cc4c3=O)o2)cc1 ZINC001256872157 1043712053 /nfs/dbraw/zinc/71/20/53/1043712053.db2.gz XORAEKDVXKHGOP-UHFFFAOYSA-N -1 0 392.371 3.941 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(Cn4cc(Cl)cn4)cc3)o2)c1[O-] ZINC001257182344 1043922802 /nfs/dbraw/zinc/92/28/02/1043922802.db2.gz LOMDNRVXTURQLO-UHFFFAOYSA-N -1 0 397.778 3.916 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(C(F)(F)F)cc1O ZINC001295613982 1045070874 /nfs/dbraw/zinc/07/08/74/1045070874.db2.gz DVZWPNFFYVOLRT-UHFFFAOYSA-N -1 0 376.674 3.931 20 5 GHBDRM COC[C@@H](C)Nc1ccccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001297197261 1045474416 /nfs/dbraw/zinc/47/44/16/1045474416.db2.gz OZEZEIKPZJZKPS-SNVBAGLBSA-N -1 0 379.800 3.653 20 5 GHBDRM COc1ccccc1[C@H]1CSCCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001303349784 1047368301 /nfs/dbraw/zinc/36/83/01/1047368301.db2.gz VHEDMTXYEYBJKF-MRXNPFEDSA-N -1 0 388.445 3.629 20 5 GHBDRM C[C@H](CNC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])C(C)(C)C ZINC001303708164 1047489451 /nfs/dbraw/zinc/48/94/51/1047489451.db2.gz RQOBMCOHPREARV-SNVBAGLBSA-N -1 0 380.832 3.552 20 5 GHBDRM CC(C)C(=O)Nc1cccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC001290729359 1049910950 /nfs/dbraw/zinc/91/09/50/1049910950.db2.gz RYXNUSVPFZBQCX-UHFFFAOYSA-N -1 0 377.784 3.801 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)c1C ZINC001309357361 1050630098 /nfs/dbraw/zinc/63/00/98/1050630098.db2.gz MQRHZIXEUPRZGX-LBPRGKRZSA-N -1 0 382.404 3.857 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H]1CCCc2ccc(Cl)cc21 ZINC001309757576 1050957691 /nfs/dbraw/zinc/95/76/91/1050957691.db2.gz ONPRYIZMFPLUJN-AWEZNQCLSA-N -1 0 384.816 3.743 20 5 GHBDRM CCCN(Cc1nc(=O)c2sccc2[n-]1)Cc1c(F)cccc1[N+](=O)[O-] ZINC001334846232 1051990221 /nfs/dbraw/zinc/99/02/21/1051990221.db2.gz YQPFRJAAHNYKJC-UHFFFAOYSA-N -1 0 376.413 3.856 20 5 GHBDRM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccsc1[N+](=O)[O-] ZINC001321103488 1056094993 /nfs/dbraw/zinc/09/49/93/1056094993.db2.gz MWKJJOSNVZYBRF-UHFFFAOYSA-N -1 0 377.241 3.528 20 5 GHBDRM Cc1ccc([C@@H]([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C(F)(F)F)o1 ZINC000848505142 1057138724 /nfs/dbraw/zinc/13/87/24/1057138724.db2.gz MBEFPUBMTSDUEP-CYBMUJFWSA-N -1 0 396.318 3.526 20 5 GHBDRM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001442472715 1058965477 /nfs/dbraw/zinc/96/54/77/1058965477.db2.gz MMPHCWHIHAVZGP-ZDUSSCGKSA-N -1 0 397.431 3.733 20 5 GHBDRM O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001443929084 1059236173 /nfs/dbraw/zinc/23/61/73/1059236173.db2.gz DCRNGNFSCWIFCQ-UHFFFAOYSA-N -1 0 390.758 3.590 20 5 GHBDRM CC(C)c1nc([C@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])no1 ZINC001445211905 1059479857 /nfs/dbraw/zinc/47/98/57/1059479857.db2.gz RGCDCXHECMNJPO-GFCCVEGCSA-N -1 0 394.815 3.828 20 5 GHBDRM CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001446824351 1059873100 /nfs/dbraw/zinc/87/31/00/1059873100.db2.gz MQOFRHVKXJNJDZ-ABKXIKBNSA-N -1 0 382.775 3.599 20 5 GHBDRM Cc1cc(F)cc(-n2nc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])c3c2CCC3)c1 ZINC001447272088 1059942832 /nfs/dbraw/zinc/94/28/32/1059942832.db2.gz ZTSIMNOIGGOPKA-UHFFFAOYSA-N -1 0 396.378 3.675 20 5 GHBDRM O=C(NCC[C@H]1CSc2ccccc2O1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001452158066 1060908426 /nfs/dbraw/zinc/90/84/26/1060908426.db2.gz FAOXSDVBCNGZTK-NSHDSACASA-N -1 0 394.836 3.627 20 5 GHBDRM CCC(=O)N(C)c1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC001455252324 1062074122 /nfs/dbraw/zinc/07/41/22/1062074122.db2.gz SRXZOWNUASQNFM-UHFFFAOYSA-N -1 0 377.784 3.579 20 5 GHBDRM O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1ccc2ccc(O)cc2c1[O-] ZINC001457893815 1063425603 /nfs/dbraw/zinc/42/56/03/1063425603.db2.gz LWFAPMQORTXUQE-UHFFFAOYSA-N -1 0 375.340 3.960 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001464731289 1065179856 /nfs/dbraw/zinc/17/98/56/1065179856.db2.gz PQRUFWVMFUNLEA-HUUCEWRRSA-N -1 0 394.880 3.795 20 5 GHBDRM C[C@H](Cc1ccc(Br)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001466628858 1066221989 /nfs/dbraw/zinc/22/19/89/1066221989.db2.gz HWDCAMBKROXTOB-SNVBAGLBSA-N -1 0 379.210 3.880 20 5 GHBDRM C[C@]1(CC[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1(F)F ZINC000849461678 1067853627 /nfs/dbraw/zinc/85/36/27/1067853627.db2.gz WSULEKBYLRNIIH-NSHDSACASA-N -1 0 389.207 3.615 20 5 GHBDRM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC001475385535 1074856684 /nfs/dbraw/zinc/85/66/84/1074856684.db2.gz KNIGVDRZANTNKE-IMJJTQAJSA-N -1 0 390.461 3.551 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](c1cccc(Cl)c1)C(F)F ZINC001475616307 1074928406 /nfs/dbraw/zinc/92/84/06/1074928406.db2.gz QXSVLMHCNFHAIL-CYBMUJFWSA-N -1 0 390.795 3.841 20 5 GHBDRM COc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000737984912 599732863 /nfs/dbraw/zinc/73/28/63/599732863.db2.gz PONQKLVIPLSNSB-UHFFFAOYSA-N -1 0 398.293 3.502 20 5 GHBDRM C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(C(=O)[O-])o1 ZINC000736687561 599748692 /nfs/dbraw/zinc/74/86/92/599748692.db2.gz CTPJXARQKVYBOU-ZETCQYMHSA-N -1 0 384.138 3.567 20 5 GHBDRM O=C([O-])CCc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000238059170 599772336 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383.404 3.712 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc(N[C@@H]3CCCN(C(=O)[O-])C3)c([N+](=O)[O-])c2)cc1 ZINC000738627793 600125942 /nfs/dbraw/zinc/12/59/42/600125942.db2.gz MEWXTRSJCCBOLI-MRXNPFEDSA-N -1 0 398.419 3.710 20 5 GHBDRM O=C([O-])c1cc(NC(=O)CCC(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000739225207 600190522 /nfs/dbraw/zinc/19/05/22/600190522.db2.gz MLBHGBNDJQZNSM-UHFFFAOYSA-N -1 0 376.752 3.548 20 5 GHBDRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000736296688 600391474 /nfs/dbraw/zinc/39/14/74/600391474.db2.gz HIDGAYJDPXQHGR-INIZCTEOSA-N -1 0 388.395 3.977 20 5 GHBDRM CCOc1ccc(C[C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737205324 600433145 /nfs/dbraw/zinc/43/31/45/600433145.db2.gz JBQPVLGUIWWJCH-HNNXBMFYSA-N -1 0 395.415 3.897 20 5 GHBDRM CC(C)(C)[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1cccs1 ZINC000736242461 600443278 /nfs/dbraw/zinc/44/32/78/600443278.db2.gz NSACJBNPLHCWLR-INIZCTEOSA-N -1 0 392.433 3.637 20 5 GHBDRM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736343327 600540541 /nfs/dbraw/zinc/54/05/41/600540541.db2.gz AGAZBIFSHDUZHK-UHFFFAOYSA-N -1 0 378.768 3.743 20 5 GHBDRM CCc1c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cnn1-c1ccc(C)cc1 ZINC000737247391 600542085 /nfs/dbraw/zinc/54/20/85/600542085.db2.gz IBXOKCXVEDMOPQ-UHFFFAOYSA-N -1 0 394.387 3.602 20 5 GHBDRM C[C@H](NC(=O)c1ccc(N[C@H](CC2CC2)c2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703931 600820148 /nfs/dbraw/zinc/82/01/48/600820148.db2.gz URHHYOWQEUQQID-SCLBCKFNSA-N -1 0 397.431 3.751 20 5 GHBDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000833188056 600942214 /nfs/dbraw/zinc/94/22/14/600942214.db2.gz VNTJBIATNSMWPV-VXGBXAGGSA-N -1 0 375.406 3.548 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCC([C@@H](O)c3ccccc3)CC2)cc1Cl ZINC000740089688 600942540 /nfs/dbraw/zinc/94/25/40/600942540.db2.gz IGDVAQFEFNGNBG-SFHVURJKSA-N -1 0 390.823 3.896 20 5 GHBDRM 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O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000833177795 601095172 /nfs/dbraw/zinc/09/51/72/601095172.db2.gz CDDZTBWDWSHXKF-BBRMVZONSA-N -1 0 380.828 3.744 20 5 GHBDRM O=C([O-])c1c(NC(=O)COc2cc([N+](=O)[O-])ccc2Cl)sc2c1CCC2 ZINC000833114683 601347980 /nfs/dbraw/zinc/34/79/80/601347980.db2.gz SJWUYIYIDLVGIW-UHFFFAOYSA-N -1 0 396.808 3.514 20 5 GHBDRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000833102503 601670666 /nfs/dbraw/zinc/67/06/66/601670666.db2.gz JCHAQWKVEAGPBE-UHFFFAOYSA-N -1 0 382.294 3.883 20 5 GHBDRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000833132235 601907850 /nfs/dbraw/zinc/90/78/50/601907850.db2.gz YVJOFNHNDKKGBJ-WCQYABFASA-N -1 0 388.342 3.767 20 5 GHBDRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000833131950 601910125 /nfs/dbraw/zinc/91/01/25/601910125.db2.gz LVQPQWGBUWVPOR-AAEUAGOBSA-N -1 0 399.241 3.511 20 5 GHBDRM 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COc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000571025167 842636468 /nfs/dbraw/zinc/63/64/68/842636468.db2.gz ASTQZRWWURIMRM-GOSISDBHSA-N -1 0 395.371 3.704 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc2[nH]c(C3CCC3)nc2c1 ZINC000150790074 842914010 /nfs/dbraw/zinc/91/40/10/842914010.db2.gz JSZTWBYENHYKFQ-UHFFFAOYSA-N -1 0 390.396 3.679 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N=c1[n-]nc([C@H]2CCCc3ccccc32)s1 ZINC000432584632 843222277 /nfs/dbraw/zinc/22/22/77/843222277.db2.gz AEZLFZJIGXNQTR-KRWDZBQOSA-N -1 0 394.456 3.897 20 5 GHBDRM Cc1cc(C(=O)N=c2[n-]nc([C@@H]3CCCc4ccccc43)s2)ccc1[N+](=O)[O-] ZINC000432592183 843240033 /nfs/dbraw/zinc/24/00/33/843240033.db2.gz LAMIZBKRZMKTFQ-MRXNPFEDSA-N -1 0 394.456 3.897 20 5 GHBDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000581980959 843357359 /nfs/dbraw/zinc/35/73/59/843357359.db2.gz BRAMUURIQIXMCL-KDOFPFPSSA-N -1 0 385.420 3.903 20 5 GHBDRM 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ZINC000071826151 845561452 /nfs/dbraw/zinc/56/14/52/845561452.db2.gz DCSOETRWNSGAQU-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM Cc1nc(-c2ccccc2)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000539104962 845862899 /nfs/dbraw/zinc/86/28/99/845862899.db2.gz FIQGZLDSRAPAKW-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM Cc1cc(NC[C@H](NCc2ccccc2)C(F)(F)F)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563206200 845893820 /nfs/dbraw/zinc/89/38/20/845893820.db2.gz FWZLAXWGYACBFL-HNNXBMFYSA-N -1 0 397.353 3.734 20 5 GHBDRM COc1cc(OC)cc(C2(F)CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)c1 ZINC000563263569 846467330 /nfs/dbraw/zinc/46/73/30/846467330.db2.gz HLJRQJHSWZZSEM-UHFFFAOYSA-N -1 0 390.411 3.778 20 5 GHBDRM CO[C@H](C)c1nc(=NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)s[n-]1 ZINC000511128792 847281266 /nfs/dbraw/zinc/28/12/66/847281266.db2.gz ZXYFETJAQSSBHF-SNVBAGLBSA-N -1 0 396.494 3.576 20 5 GHBDRM CN(CC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)c1ccccc1[N+](=O)[O-] ZINC000237124756 847399887 /nfs/dbraw/zinc/39/98/87/847399887.db2.gz OUQIINXXWCKZLG-UHFFFAOYSA-N -1 0 385.401 3.583 20 5 GHBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1nc2c(cccc2Cl)s1 ZINC000479135406 847505533 /nfs/dbraw/zinc/50/55/33/847505533.db2.gz QEMACROKRCFOCU-UHFFFAOYSA-N -1 0 397.865 3.842 20 5 GHBDRM CCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000237143200 847527465 /nfs/dbraw/zinc/52/74/65/847527465.db2.gz VMVYIRDGKGVJRX-OAHLLOKOSA-N -1 0 394.786 3.896 20 5 GHBDRM COCCSc1ccc([C@@H](C)NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000511157408 847575219 /nfs/dbraw/zinc/57/52/19/847575219.db2.gz CJWUMPAKFCDDHY-GFCCVEGCSA-N -1 0 376.434 3.530 20 5 GHBDRM COc1ccc2nc([N-]S(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])sc2c1 ZINC000479601246 847763203 /nfs/dbraw/zinc/76/32/03/847763203.db2.gz GHUNVAJZQHSLAV-UHFFFAOYSA-N -1 0 393.446 3.631 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)nn1C(C)C ZINC000421180848 847824611 /nfs/dbraw/zinc/82/46/11/847824611.db2.gz GPOTWEFWDJXJLB-UHFFFAOYSA-N -1 0 392.359 3.500 20 5 GHBDRM C[C@@H](c1ccccc1Br)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000162605126 861850786 /nfs/dbraw/zinc/85/07/86/861850786.db2.gz GHQLQWSYULRBHA-JTQLQIEISA-N -1 0 379.210 3.896 20 5 GHBDRM COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc([N+](=O)[O-])c1[O-] ZINC000024102834 848056207 /nfs/dbraw/zinc/05/62/07/848056207.db2.gz PUPNODVSKPPWSL-LJQANCHMSA-N -1 0 395.371 3.669 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2OCC(F)F)cc1 ZINC000583046411 848943427 /nfs/dbraw/zinc/94/34/27/848943427.db2.gz QGGUZDYCJNZENI-UHFFFAOYSA-N -1 0 392.767 3.693 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)c(C)n1 ZINC000514831911 849005513 /nfs/dbraw/zinc/00/55/13/849005513.db2.gz GABOCNMSQISYNF-UHFFFAOYSA-N -1 0 399.428 3.775 20 5 GHBDRM O=C(Nc1nc(C2CCOCC2)cs1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000583383680 849758148 /nfs/dbraw/zinc/75/81/48/849758148.db2.gz OWFRIECBWJDTCV-UHFFFAOYSA-N -1 0 383.813 3.557 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc2c1CN(CC(C)C)C2 ZINC000486760016 850063870 /nfs/dbraw/zinc/06/38/70/850063870.db2.gz OYGDYRZXKBJGPJ-UHFFFAOYSA-N -1 0 389.477 3.676 20 5 GHBDRM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc21 ZINC000509611234 850110918 /nfs/dbraw/zinc/11/09/18/850110918.db2.gz NUEDHCLDRZVANL-UHFFFAOYSA-N -1 0 394.840 3.980 20 5 GHBDRM CCCCN1Cc2cccc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])c2C1 ZINC000171345673 862126828 /nfs/dbraw/zinc/12/68/28/862126828.db2.gz NYWXNXIQOUTNDH-UHFFFAOYSA-N -1 0 393.440 3.650 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425027245 850854327 /nfs/dbraw/zinc/85/43/27/850854327.db2.gz WVTGSBZLPRJYNO-UHFFFAOYSA-N -1 0 387.461 3.656 20 5 GHBDRM CCc1nc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1C(=O)[O-] ZINC000426650083 851129477 /nfs/dbraw/zinc/12/94/77/851129477.db2.gz ZORHFISWQXCEAQ-UHFFFAOYSA-N -1 0 398.444 3.664 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)c1 ZINC000910355657 851170016 /nfs/dbraw/zinc/17/00/16/851170016.db2.gz WOGQLCFDBOOJNZ-CYBMUJFWSA-N -1 0 391.374 3.648 20 5 GHBDRM COc1c(F)cc(S(=O)(=O)[N-]c2cccc(OCC(C)C)c2)cc1[N+](=O)[O-] ZINC000488287352 851353972 /nfs/dbraw/zinc/35/39/72/851353972.db2.gz CEUVRIFWPKSOEE-UHFFFAOYSA-N -1 0 398.412 3.578 20 5 GHBDRM O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436634541 852128922 /nfs/dbraw/zinc/12/89/22/852128922.db2.gz PLFCERMZXOQNGY-UHFFFAOYSA-N -1 0 388.383 3.774 20 5 GHBDRM COCCSc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436778041 852312638 /nfs/dbraw/zinc/31/26/38/852312638.db2.gz POGAVKLYMLUMPQ-LBPRGKRZSA-N -1 0 376.434 3.530 20 5 GHBDRM O=c1nc(C=Cc2ccc([O-])c([N+](=O)[O-])c2)[nH]c2sc(Br)cc21 ZINC000436813343 852375748 /nfs/dbraw/zinc/37/57/48/852375748.db2.gz DNWZJJJDOCSNDJ-DUXPYHPUSA-N -1 0 394.206 3.944 20 5 GHBDRM O=C([O-])[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccs1 ZINC000426799003 852409159 /nfs/dbraw/zinc/40/91/59/852409159.db2.gz KGQKIOHWOPKJKM-AWEZNQCLSA-N -1 0 375.431 3.695 20 5 GHBDRM CN(C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1)C1CCCCC1 ZINC000436957840 852548411 /nfs/dbraw/zinc/54/84/11/852548411.db2.gz AZNIHTANGFSIBD-UHFFFAOYSA-N -1 0 397.431 3.957 20 5 GHBDRM O=C(Nc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1cccs1 ZINC000436969499 852572644 /nfs/dbraw/zinc/57/26/44/852572644.db2.gz ZFBIGEJDSILPPI-UHFFFAOYSA-N -1 0 383.385 3.867 20 5 GHBDRM CC(C)COc1ccccc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000517914165 852599702 /nfs/dbraw/zinc/59/97/02/852599702.db2.gz GMYDQSZZMDESSD-UHFFFAOYSA-N -1 0 398.868 3.762 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCCC(F)(F)C1 ZINC000489980599 852705160 /nfs/dbraw/zinc/70/51/60/852705160.db2.gz IXKUTAYIJGWNAY-JTQLQIEISA-N -1 0 382.816 3.742 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000507309754 852770462 /nfs/dbraw/zinc/77/04/62/852770462.db2.gz AJELTAGJWFDYQY-INIZCTEOSA-N -1 0 386.795 3.807 20 5 GHBDRM O=C(NCc1cc(Oc2ccc(F)cc2)ccn1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506350961 852829256 /nfs/dbraw/zinc/82/92/56/852829256.db2.gz WRLKQEGCWQZKRO-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM C[C@@H](Oc1cccnc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000490321508 852922896 /nfs/dbraw/zinc/92/28/96/852922896.db2.gz JVYLJISPHKAVSC-CQSZACIVSA-N -1 0 399.428 3.931 20 5 GHBDRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC1CCC1 ZINC000029587414 853253272 /nfs/dbraw/zinc/25/32/72/853253272.db2.gz XAVUZAUTVODFMM-UHFFFAOYSA-N -1 0 391.449 3.616 20 5 GHBDRM C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000571286576 853852783 /nfs/dbraw/zinc/85/27/83/853852783.db2.gz LVKRCVOUOKFWPM-BZNIZROVSA-N -1 0 376.796 3.556 20 5 GHBDRM O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160109732 854080416 /nfs/dbraw/zinc/08/04/16/854080416.db2.gz LNXFKZOGKYVMRC-UHFFFAOYSA-N -1 0 376.781 3.725 20 5 GHBDRM Cc1ccc(N2CCC(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)nc1 ZINC000186027200 862587569 /nfs/dbraw/zinc/58/75/69/862587569.db2.gz RTPZEIBNOXFQDH-UHFFFAOYSA-N -1 0 390.827 3.512 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000165241064 854787788 /nfs/dbraw/zinc/78/77/88/854787788.db2.gz QHCYFOSPFYNLKK-UHFFFAOYSA-N -1 0 395.746 3.771 20 5 GHBDRM O=[N+]([O-])c1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000055589980 855354208 /nfs/dbraw/zinc/35/42/08/855354208.db2.gz OZESXHONMUZOMC-UHFFFAOYSA-N -1 0 378.740 3.650 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ncc(Cc2ccccc2)s1 ZINC000550420544 855662062 /nfs/dbraw/zinc/66/20/62/855662062.db2.gz UQPGNQFKVVDKBH-UHFFFAOYSA-N -1 0 389.458 3.751 20 5 GHBDRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000765864382 855826280 /nfs/dbraw/zinc/82/62/80/855826280.db2.gz YUOBKBMGBZEGCT-UHFFFAOYSA-N -1 0 385.159 3.631 20 5 GHBDRM O=C([O-])CCC1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000573327409 856081599 /nfs/dbraw/zinc/08/15/99/856081599.db2.gz JMMYTUAEYLUSOF-UHFFFAOYSA-N -1 0 397.300 3.725 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc2cccnc21 ZINC000427646624 856431780 /nfs/dbraw/zinc/43/17/80/856431780.db2.gz ITOXHYLRMNIYJT-UHFFFAOYSA-N -1 0 387.417 3.569 20 5 GHBDRM Cc1occc1C(=O)Nc1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])ccc1F ZINC000164446957 862819557 /nfs/dbraw/zinc/81/95/57/862819557.db2.gz OXODRCXOHQJYGT-UHFFFAOYSA-N -1 0 399.334 3.846 20 5 GHBDRM O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000428018598 857001688 /nfs/dbraw/zinc/00/16/88/857001688.db2.gz WFBFBALKKMUUKI-UHFFFAOYSA-N -1 0 388.383 3.774 20 5 GHBDRM Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc2)n1 ZINC000428018587 857002835 /nfs/dbraw/zinc/00/28/35/857002835.db2.gz WBCHZBBGGAOVEI-AWEZNQCLSA-N -1 0 380.404 3.594 20 5 GHBDRM O=C(N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000574087918 857218870 /nfs/dbraw/zinc/21/88/70/857218870.db2.gz WDLLETNGLAIJID-CHWSQXEVSA-N -1 0 380.404 3.633 20 5 GHBDRM O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(Cl)cc(Br)c1[O-] ZINC000174916217 857406813 /nfs/dbraw/zinc/40/68/13/857406813.db2.gz RICCEMGCFANLOF-UHFFFAOYSA-N -1 0 385.601 3.898 20 5 GHBDRM Cc1ccc(COc2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])cc2)cc1 ZINC000486071866 857408054 /nfs/dbraw/zinc/40/80/54/857408054.db2.gz ANQJGEJFZXTEKA-DHZHZOJOSA-N -1 0 379.372 3.854 20 5 GHBDRM CCCc1nc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000486101721 857412256 /nfs/dbraw/zinc/41/22/56/857412256.db2.gz OXRONIVSCIUKGY-UHFFFAOYSA-N -1 0 375.859 3.766 20 5 GHBDRM CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000486127921 857459110 /nfs/dbraw/zinc/45/91/10/857459110.db2.gz WQKXFWCLCCBVRG-UHFFFAOYSA-N -1 0 375.859 3.766 20 5 GHBDRM CN(Cc1ccc(Br)cc1Cl)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000482347489 862975884 /nfs/dbraw/zinc/97/58/84/862975884.db2.gz DBBNSUMPJRVSBY-UHFFFAOYSA-N -1 0 399.628 3.989 20 5 GHBDRM Cc1cccc([C@H](NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])c1C ZINC000521529101 858075039 /nfs/dbraw/zinc/07/50/39/858075039.db2.gz FSSAJHPTJADHBG-KDOFPFPSSA-N -1 0 385.420 3.706 20 5 GHBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594536844 858214331 /nfs/dbraw/zinc/21/43/31/858214331.db2.gz JIHJFKULKHSJPR-XOKHGSTOSA-N -1 0 391.468 3.650 20 5 GHBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3)on2)cc1[N+](=O)[O-] ZINC000575207635 858603918 /nfs/dbraw/zinc/60/39/18/858603918.db2.gz ZCUVHRSGSNNPEQ-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM Cc1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)c1Cl ZINC000184964391 858758820 /nfs/dbraw/zinc/75/88/20/858758820.db2.gz DZPWZCYYVBPIJS-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)cc1C ZINC000160758431 859165785 /nfs/dbraw/zinc/16/57/85/859165785.db2.gz OVGKWKONMHDKDC-UHFFFAOYSA-N -1 0 389.477 3.736 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Oc2ccncc2)c1 ZINC000483192427 859216735 /nfs/dbraw/zinc/21/67/35/859216735.db2.gz NOBAQZIINOUGBE-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM COc1cc(Br)ccc1CCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000483443551 859379476 /nfs/dbraw/zinc/37/94/76/859379476.db2.gz CJWYPWNOOSWOMV-UHFFFAOYSA-N -1 0 395.209 3.643 20 5 GHBDRM CC(C)Cn1ncc2cc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])cnc21 ZINC000543679096 859398216 /nfs/dbraw/zinc/39/82/16/859398216.db2.gz APEWLPYMIXTNFI-UHFFFAOYSA-N -1 0 389.799 3.607 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2c(cc(C)cc2C)s1 ZINC000069901048 859718163 /nfs/dbraw/zinc/71/81/63/859718163.db2.gz LCWPKZJIHPSPQA-UHFFFAOYSA-N -1 0 393.446 3.631 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000474298733 859778702 /nfs/dbraw/zinc/77/87/02/859778702.db2.gz UNOFMYUCLOSDSB-UHFFFAOYSA-N -1 0 392.767 3.693 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc(OC)c1C(C)C ZINC000484214733 859883332 /nfs/dbraw/zinc/88/33/32/859883332.db2.gz ABGQFUDXPCDDOE-UHFFFAOYSA-N -1 0 394.449 3.845 20 5 GHBDRM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])c2ccccc21 ZINC000598208310 860130553 /nfs/dbraw/zinc/13/05/53/860130553.db2.gz YHDOUDSNTCKDTA-AWEZNQCLSA-N -1 0 398.415 3.776 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cccc2ccc(O)cc21 ZINC000484628074 860202747 /nfs/dbraw/zinc/20/27/47/860202747.db2.gz GHMAVOVGJREYRO-UHFFFAOYSA-N -1 0 378.793 3.908 20 5 GHBDRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000598659660 860476758 /nfs/dbraw/zinc/47/67/58/860476758.db2.gz FFYKOBXQDVUNFW-SJORKVTESA-N -1 0 397.431 3.580 20 5 GHBDRM Cc1ccccc1CS(=O)(=O)[N-]c1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000186567791 860493801 /nfs/dbraw/zinc/49/38/01/860493801.db2.gz RADMAGOAQDRXMP-UHFFFAOYSA-N -1 0 389.458 3.969 20 5 GHBDRM CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)s1 ZINC000598734782 860534719 /nfs/dbraw/zinc/53/47/19/860534719.db2.gz OAVHCKCPWXRRHK-UHFFFAOYSA-N -1 0 384.483 3.768 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000125063624 860571880 /nfs/dbraw/zinc/57/18/80/860571880.db2.gz OOELXKRUYGZBMF-UHFFFAOYSA-N -1 0 390.339 3.509 20 5 GHBDRM O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3cc(F)ccc3Cl)ccc2c1 ZINC000156176552 860703497 /nfs/dbraw/zinc/70/34/97/860703497.db2.gz YXPBBYNNVTXNCC-UHFFFAOYSA-N -1 0 381.772 3.736 20 5 GHBDRM CCOc1ccc2nc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)sc2c1 ZINC000603559672 860835019 /nfs/dbraw/zinc/83/50/19/860835019.db2.gz MHONHARNKFZTBH-UHFFFAOYSA-N -1 0 393.446 3.712 20 5 GHBDRM CCc1[nH]nc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)c1[N+](=O)[O-] ZINC000192845148 860873073 /nfs/dbraw/zinc/87/30/73/860873073.db2.gz RVRQCKOMAUVVNF-UHFFFAOYSA-N -1 0 379.587 3.798 20 5 GHBDRM COc1ccc(CN(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1OC(F)F ZINC000593732206 861075939 /nfs/dbraw/zinc/07/59/39/861075939.db2.gz KRSGUCHMFGPBIN-UHFFFAOYSA-N -1 0 396.346 3.535 20 5 GHBDRM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000522693767 863096524 /nfs/dbraw/zinc/09/65/24/863096524.db2.gz IYPKGOUEFXJVKA-UHFFFAOYSA-N -1 0 389.389 3.793 20 5 GHBDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000733713092 863134639 /nfs/dbraw/zinc/13/46/39/863134639.db2.gz QXHXDZZIKOUFKW-UHFFFAOYSA-N -1 0 391.449 3.587 20 5 GHBDRM Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000172208565 863351904 /nfs/dbraw/zinc/35/19/04/863351904.db2.gz MPRYCADKLSLCIX-GFCCVEGCSA-N -1 0 396.852 3.555 20 5 GHBDRM CCCCn1ncc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1C ZINC000160205288 863404576 /nfs/dbraw/zinc/40/45/76/863404576.db2.gz BVYQATLQHVCYSM-UHFFFAOYSA-N -1 0 386.861 3.662 20 5 GHBDRM O=C([O-])[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000439715446 863705146 /nfs/dbraw/zinc/70/51/46/863705146.db2.gz ONUPPFGPHJUZML-LBPRGKRZSA-N -1 0 392.820 3.555 20 5 GHBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455934277 863799282 /nfs/dbraw/zinc/79/92/82/863799282.db2.gz VGSVCUQVTYETOO-DOTOQJQBSA-N -1 0 384.432 3.582 20 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ZINC000478953713 866946714 /nfs/dbraw/zinc/94/67/14/866946714.db2.gz CNEGFIIBCXMQJM-UHFFFAOYSA-N -1 0 376.166 3.704 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1(c2cccc(Br)c2)CC1 ZINC000534802837 867541833 /nfs/dbraw/zinc/54/18/33/867541833.db2.gz FRUZVJBJMUUHCL-UHFFFAOYSA-N -1 0 377.194 3.733 20 5 GHBDRM COCCCOc1cc(C)ccc1-c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000445232255 867977328 /nfs/dbraw/zinc/97/73/28/867977328.db2.gz FNNANHKSNAMIJX-UHFFFAOYSA-N -1 0 385.376 3.741 20 5 GHBDRM CC(=O)c1ccccc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000743249735 868014013 /nfs/dbraw/zinc/01/40/13/868014013.db2.gz MBRXJRNLFRGLOZ-UHFFFAOYSA-N -1 0 389.216 3.905 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)c1[N+](=O)[O-] ZINC000479611405 868188476 /nfs/dbraw/zinc/18/84/76/868188476.db2.gz HEDXGGCWWFDXBU-UHFFFAOYSA-N -1 0 376.221 3.714 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1(c2ccc(Br)cc2)CC1 ZINC000183895005 868595500 /nfs/dbraw/zinc/59/55/00/868595500.db2.gz BGLOIDNKOOBSRM-UHFFFAOYSA-N -1 0 377.194 3.733 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc3c(s2)C[C@@H](C)CC3)c1C ZINC000479985589 868834727 /nfs/dbraw/zinc/83/47/27/868834727.db2.gz JWOIZIWHHOQQAG-VIFPVBQESA-N -1 0 381.479 3.594 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000262822908 882244599 /nfs/dbraw/zinc/24/45/99/882244599.db2.gz BRYXEYFGRNSEAR-UKRRQHHQSA-N -1 0 394.493 3.916 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c2cccnc21 ZINC000462360474 869290838 /nfs/dbraw/zinc/29/08/38/869290838.db2.gz PNTBKIWQEGDVBI-UHFFFAOYSA-N -1 0 383.429 3.823 20 5 GHBDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC000462362688 869310341 /nfs/dbraw/zinc/31/03/41/869310341.db2.gz WTPPCORDFDXXCC-UHFFFAOYSA-N -1 0 394.412 3.800 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1N(C)C ZINC000524630170 869371021 /nfs/dbraw/zinc/37/10/21/869371021.db2.gz CYKWYGVKNKSYGD-UHFFFAOYSA-N -1 0 383.857 3.677 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(F)cc1OCC1CC1 ZINC000524852836 869677494 /nfs/dbraw/zinc/67/74/94/869677494.db2.gz CTVYSPQNPAHORX-UHFFFAOYSA-N -1 0 380.397 3.632 20 5 GHBDRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000446313774 869688320 /nfs/dbraw/zinc/68/83/20/869688320.db2.gz UJMNZXDHMHEMSX-MRXNPFEDSA-N -1 0 382.800 3.981 20 5 GHBDRM C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000540512056 871457366 /nfs/dbraw/zinc/45/73/66/871457366.db2.gz FAPIPDBNZBSBTL-LLVKDONJSA-N -1 0 393.237 3.814 20 5 GHBDRM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000475709363 882536435 /nfs/dbraw/zinc/53/64/35/882536435.db2.gz KLPTVKYPGYXXDV-ZDUSSCGKSA-N -1 0 397.431 3.733 20 5 GHBDRM COc1ccc(-c2ccc(CNC(=O)c3cccc([O-])c3[N+](=O)[O-])s2)cc1 ZINC000540588495 871687878 /nfs/dbraw/zinc/68/78/78/871687878.db2.gz TZKTVNLKFOFIMZ-UHFFFAOYSA-N -1 0 384.413 3.968 20 5 GHBDRM C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000182089351 871820598 /nfs/dbraw/zinc/82/05/98/871820598.db2.gz YKEJUMLCVSSTOL-QMMMGPOBSA-N -1 0 399.172 3.608 20 5 GHBDRM CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000540696311 871966520 /nfs/dbraw/zinc/96/65/20/871966520.db2.gz KWHSODARLRZXPR-UHFFFAOYSA-N -1 0 388.804 3.895 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(CC3CC3)nn2-c2ccccc2)cc1 ZINC000443405582 872303867 /nfs/dbraw/zinc/30/38/67/872303867.db2.gz BKHVKTRIWFLYAK-UHFFFAOYSA-N -1 0 398.444 3.534 20 5 GHBDRM CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cccc21 ZINC000447793682 872307704 /nfs/dbraw/zinc/30/77/04/872307704.db2.gz HOESYZJVXXYFIK-CQSZACIVSA-N -1 0 398.824 3.519 20 5 GHBDRM CSc1nc(C)c(CCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(C)n1 ZINC000540879903 872377143 /nfs/dbraw/zinc/37/71/43/872377143.db2.gz HWSHWYRZZWGKDB-UHFFFAOYSA-N -1 0 396.856 3.654 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@@H]2CCCc3ccccc3C2)c1 ZINC001195585167 872487404 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397.659 3.873 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000769630840 874176855 /nfs/dbraw/zinc/17/68/55/874176855.db2.gz LUDGYXQDPPYBLK-UHFFFAOYSA-N -1 0 388.804 3.516 20 5 GHBDRM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000108208656 876443753 /nfs/dbraw/zinc/44/37/53/876443753.db2.gz UIQRHKDNFSDYRU-UHFFFAOYSA-N -1 0 394.334 3.707 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000192728359 877368500 /nfs/dbraw/zinc/36/85/00/877368500.db2.gz OASDTYGEPYLYLT-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM O=C([O-])[C@@H]1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)C[C@H]1c1ccccc1 ZINC000852912543 878658242 /nfs/dbraw/zinc/65/82/42/878658242.db2.gz SWNLUSBCBDQJTP-UONOGXRCSA-N -1 0 378.331 3.501 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)cc([N+](=O)[O-])c1 ZINC000238161400 878844352 /nfs/dbraw/zinc/84/43/52/878844352.db2.gz BHMBJUWKZLKDJJ-HNNXBMFYSA-N -1 0 388.807 3.794 20 5 GHBDRM CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cccc21 ZINC000790347845 879617997 /nfs/dbraw/zinc/61/79/97/879617997.db2.gz DPBIYAVDGUHJGY-OAHLLOKOSA-N -1 0 398.824 3.519 20 5 GHBDRM CCCCn1ncc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1C(C)C ZINC000790420759 879702290 /nfs/dbraw/zinc/70/22/90/879702290.db2.gz GXRLVXPVECGPKB-UHFFFAOYSA-N -1 0 384.433 3.655 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)c1C ZINC000461424932 879785591 /nfs/dbraw/zinc/78/55/91/879785591.db2.gz TYXXSERWYRYAGR-UHFFFAOYSA-N -1 0 389.477 3.736 20 5 GHBDRM CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](C)[C@H](O)c1ccccc1 ZINC000854565732 879906082 /nfs/dbraw/zinc/90/60/82/879906082.db2.gz RWKQSWCDLAMTIP-ZBEGNZNMSA-N -1 0 378.812 3.538 20 5 GHBDRM CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000609819112 883695274 /nfs/dbraw/zinc/69/52/74/883695274.db2.gz UQXWUIJSWOLCCS-UHFFFAOYSA-N -1 0 388.804 3.975 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)c1C ZINC000152565505 883998709 /nfs/dbraw/zinc/99/87/09/883998709.db2.gz JZSLKKOAAMOKJR-UHFFFAOYSA-N -1 0 396.475 3.592 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccn(-c2ccccc2F)n1 ZINC000537547154 885200023 /nfs/dbraw/zinc/20/00/23/885200023.db2.gz GUMKJKNNTWRTMN-UHFFFAOYSA-N -1 0 376.731 3.531 20 5 GHBDRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173423864 885382223 /nfs/dbraw/zinc/38/22/23/885382223.db2.gz IERXQPTVEDNQLW-UHFFFAOYSA-N -1 0 399.428 3.708 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nnc(CC3CCCCC3)o2)cc1C ZINC000194894639 885467697 /nfs/dbraw/zinc/46/76/97/885467697.db2.gz SLWPKIXXAMNNHP-UHFFFAOYSA-N -1 0 394.453 3.518 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000863426300 887097315 /nfs/dbraw/zinc/09/73/15/887097315.db2.gz BKFLHPJPBYRBHS-UHFFFAOYSA-N -1 0 394.424 3.737 20 5 GHBDRM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(F)(F)F ZINC000809836064 887856881 /nfs/dbraw/zinc/85/68/81/887856881.db2.gz NVCOGNZABBRNBU-VIFPVBQESA-N -1 0 381.159 3.521 20 5 GHBDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C\c1ccnc(-c2cccc([N+](=O)[O-])c2)[n+]1[O-] ZINC000794936843 888960702 /nfs/dbraw/zinc/96/07/02/888960702.db2.gz FYFIUQZVZZIKPQ-SREVYHEPSA-N -1 0 391.383 3.776 20 5 GHBDRM CC(C)(c1nnc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])s1)c1ccccc1 ZINC000497479612 891705448 /nfs/dbraw/zinc/70/54/48/891705448.db2.gz ICQASCJQTARFOG-UHFFFAOYSA-N -1 0 384.417 3.730 20 5 GHBDRM CCc1c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1ccccc1Cl ZINC000192125179 892281536 /nfs/dbraw/zinc/28/15/36/892281536.db2.gz ODFGHBSTNXRCSV-UHFFFAOYSA-N -1 0 386.795 3.954 20 5 GHBDRM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000917717054 892424674 /nfs/dbraw/zinc/42/46/74/892424674.db2.gz AYDPLLHQFQNTSO-UHFFFAOYSA-N -1 0 398.824 3.871 20 5 GHBDRM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000455796516 893345631 /nfs/dbraw/zinc/34/56/31/893345631.db2.gz PZMHRANOFNQXDJ-IBGZPJMESA-N -1 0 386.429 3.683 20 5 GHBDRM O=C(N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1cccc([O-])c1[N+](=O)[O-] ZINC000563197203 893471366 /nfs/dbraw/zinc/47/13/66/893471366.db2.gz CGYIECDGICEKKH-OLZOCXBDSA-N -1 0 380.404 3.633 20 5 GHBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(C(F)(F)F)nc1Cl ZINC000817862744 895935857 /nfs/dbraw/zinc/93/58/57/895935857.db2.gz MUOPVQUCMCEFSY-SSDOTTSWSA-N -1 0 389.717 3.859 20 5 GHBDRM O=C(N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000567963329 897509291 /nfs/dbraw/zinc/50/92/91/897509291.db2.gz UUPVNLJJGOUBNP-TZMCWYRMSA-N -1 0 380.404 3.633 20 5 GHBDRM COc1cccc([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c1 ZINC000821115760 897717221 /nfs/dbraw/zinc/71/72/21/897717221.db2.gz BSEQTZRZGBWXCY-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM Cc1cc(S(=O)(=O)Nc2c(F)cccc2NC(C)C)cc([N+](=O)[O-])c1F ZINC000132654232 897860581 /nfs/dbraw/zinc/86/05/81/897860581.db2.gz HUDLGOILLMLYRW-UHFFFAOYSA-N -1 0 385.392 3.803 20 5 GHBDRM O=C(NCCCOc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1[O-] ZINC001136470620 897980016 /nfs/dbraw/zinc/98/00/16/897980016.db2.gz ORFISIQHTVNNAQ-UHFFFAOYSA-N -1 0 385.203 3.806 20 5 GHBDRM Cc1cc(-c2ccc(F)cc2[N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000569379517 898594582 /nfs/dbraw/zinc/59/45/82/898594582.db2.gz GXGADBZTMRWHQF-CQSZACIVSA-N -1 0 386.379 3.646 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000569601107 898819971 /nfs/dbraw/zinc/81/99/71/898819971.db2.gz MTSXGTXRFFCTNH-ZDUSSCGKSA-N -1 0 390.823 3.885 20 5 GHBDRM COCCSc1ccc([C@H](C)Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000571449206 899872826 /nfs/dbraw/zinc/87/28/26/899872826.db2.gz MQGDFFGRSMIGFZ-NSHDSACASA-N -1 0 377.422 3.600 20 5 GHBDRM CC(C)Oc1cccc([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000885370730 900475302 /nfs/dbraw/zinc/47/53/02/900475302.db2.gz LDNKSBBGNZJKRF-LBPRGKRZSA-N -1 0 382.413 3.561 20 5 GHBDRM CCSc1cccc(F)c1[N-]C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000574133345 900790322 /nfs/dbraw/zinc/79/03/22/900790322.db2.gz FINDSPFWQXYPBX-UHFFFAOYSA-N -1 0 378.381 3.869 20 5 GHBDRM Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4ccc([N+](=O)[O-])c([O-])c4)C3)nc2c1 ZINC000067158776 901042343 /nfs/dbraw/zinc/04/23/43/901042343.db2.gz MEDLICDYNHSNRQ-CQSZACIVSA-N -1 0 380.404 3.505 20 5 GHBDRM CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])c2ccccc21 ZINC001144582259 902421749 /nfs/dbraw/zinc/42/17/49/902421749.db2.gz FGKWTGMOXJCNFO-CVEARBPZSA-N -1 0 398.415 3.601 20 5 GHBDRM COc1cc([C@H](C)Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])ccc1OC(C)C ZINC000577066692 902478807 /nfs/dbraw/zinc/47/88/07/902478807.db2.gz ZFJBBQQTUJBBFW-NSHDSACASA-N -1 0 375.381 3.657 20 5 GHBDRM CCOc1cccc(N2CCC(c3ncc(C(=O)[O-])s3)CC2)c1[N+](=O)[O-] ZINC000600678399 902815284 /nfs/dbraw/zinc/81/52/84/902815284.db2.gz PUYJCPDKFXKDTQ-UHFFFAOYSA-N -1 0 377.422 3.532 20 5 GHBDRM CC[C@@](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)(C(=O)[O-])c1ccccc1 ZINC000600869557 903026616 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HSYFPJZRACGRAW-UHFFFAOYSA-N -1 0 381.182 3.632 20 5 GHBDRM O=C([O-])CCCc1nnc(NC(=O)c2cc3ccccc3c3cccnc23)s1 ZINC000739710201 909622191 /nfs/dbraw/zinc/62/21/91/909622191.db2.gz CLROQZGEMXIOLP-UHFFFAOYSA-N -1 0 392.440 3.899 20 5 GHBDRM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2ccccc21 ZINC000773843443 910029111 /nfs/dbraw/zinc/02/91/11/910029111.db2.gz YGTXGXTZRVTTLE-UHFFFAOYSA-N -1 0 399.403 3.702 20 5 GHBDRM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)cc1 ZINC000775470539 918112859 /nfs/dbraw/zinc/11/28/59/918112859.db2.gz LMKHFXGACQNKAQ-UHFFFAOYSA-N -1 0 398.824 3.534 20 5 GHBDRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cs1 ZINC000007726292 919887189 /nfs/dbraw/zinc/88/71/89/919887189.db2.gz SMSUZFZQTBTKKT-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM CC[C@H]1CCc2nc([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])sc2C1 ZINC000409539686 924744168 /nfs/dbraw/zinc/74/41/68/924744168.db2.gz YFANHXDAXZWLEW-NSHDSACASA-N -1 0 381.479 3.675 20 5 GHBDRM CC[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)sc2C1 ZINC000409537650 924748656 /nfs/dbraw/zinc/74/86/56/924748656.db2.gz QPBZAMUXUMFSRH-NSHDSACASA-N -1 0 381.479 3.675 20 5 GHBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000410406801 925619224 /nfs/dbraw/zinc/61/92/24/925619224.db2.gz WDRUXBYREXGEEE-UHFFFAOYSA-N -1 0 376.843 3.818 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000467505158 929137927 /nfs/dbraw/zinc/13/79/27/929137927.db2.gz VHNOVBFRJNUJGH-BZNIZROVSA-N -1 0 380.759 3.809 20 5 GHBDRM COc1c(C)ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1C ZINC000753067190 929188934 /nfs/dbraw/zinc/18/89/34/929188934.db2.gz FQIWJHWFPWWIIZ-UHFFFAOYSA-N -1 0 384.841 3.983 20 5 GHBDRM O=C([O-])CCc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000467950872 929622495 /nfs/dbraw/zinc/62/24/95/929622495.db2.gz XGWLRFHXHLJNRX-UHFFFAOYSA-N -1 0 382.294 3.883 20 5 GHBDRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000757921887 929856994 /nfs/dbraw/zinc/85/69/94/929856994.db2.gz WDYFQUIZRBODFJ-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM CC(C)(C)OC(=O)NC1(CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1 ZINC000758468436 930055230 /nfs/dbraw/zinc/05/52/30/930055230.db2.gz RHDSYUOLGAMFAT-UHFFFAOYSA-N -1 0 399.831 3.730 20 5 GHBDRM CC(C)(C)c1nnc2ccc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])cn21 ZINC000470640582 930776071 /nfs/dbraw/zinc/77/60/71/930776071.db2.gz CCLBJBCCJUQSED-UHFFFAOYSA-N -1 0 389.799 3.546 20 5 GHBDRM CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000781841405 930997226 /nfs/dbraw/zinc/99/72/26/930997226.db2.gz QISWOLNTOXIOFX-CYBMUJFWSA-N -1 0 386.445 3.535 20 5 GHBDRM COc1cccc(C(=O)c2ccc(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)cc2)c1 ZINC000781980278 931050236 /nfs/dbraw/zinc/05/02/36/931050236.db2.gz ZQOJTGAJQQRAOO-UHFFFAOYSA-N -1 0 392.367 3.792 20 5 GHBDRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000782013502 931059800 /nfs/dbraw/zinc/05/98/00/931059800.db2.gz QUKKBSONIPQHIV-UHFFFAOYSA-N -1 0 381.316 3.878 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)n1 ZINC000783604308 931593433 /nfs/dbraw/zinc/59/34/33/931593433.db2.gz FEUKMJQLVFQEGM-UHFFFAOYSA-N -1 0 376.221 3.714 20 5 GHBDRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000783864540 931696668 /nfs/dbraw/zinc/69/66/68/931696668.db2.gz RMSOHKMUCDQYCS-UHFFFAOYSA-N -1 0 382.417 3.545 20 5 GHBDRM O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1CCC[C@@H]2CCC[C@H]21 ZINC000798172551 932551817 /nfs/dbraw/zinc/55/18/17/932551817.db2.gz SOKFULLKVQBBJD-WCQYABFASA-N -1 0 390.827 3.544 20 5 GHBDRM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1Cl ZINC000798246989 932575142 /nfs/dbraw/zinc/57/51/42/932575142.db2.gz LWJMBCNMPGPBKV-UHFFFAOYSA-N -1 0 383.159 3.981 20 5 GHBDRM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccsc3[N+](=O)[O-])cc2)CC1 ZINC001118025022 934080301 /nfs/dbraw/zinc/08/03/01/934080301.db2.gz JYZMYZRXPXKKAM-UHFFFAOYSA-N -1 0 381.479 3.693 20 5 GHBDRM 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386.429 3.996 20 5 GHBDRM CC(C)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])no1 ZINC001591935842 976455447 /nfs/dbraw/zinc/45/54/47/976455447.db2.gz IBXXILYZHAAXHH-UHFFFAOYSA-N -1 0 379.394 3.525 20 5 GHBDRM CC(C)c1sc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)nc1C(=O)[O-] ZINC001592114444 976907123 /nfs/dbraw/zinc/90/71/23/976907123.db2.gz BXVPDWJSGJEBKN-UHFFFAOYSA-N -1 0 387.776 3.918 20 5 GHBDRM Cc1c(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000841501569 979302976 /nfs/dbraw/zinc/30/29/76/979302976.db2.gz MFPZHCSHIBFNQP-UHFFFAOYSA-N -1 0 383.404 3.844 20 5 GHBDRM CC[C@@](CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC001595160882 979688987 /nfs/dbraw/zinc/68/89/87/979688987.db2.gz WBMCBRSHHWFFTJ-NRFANRHFSA-N -1 0 384.432 3.881 20 5 GHBDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001595360287 980750821 /nfs/dbraw/zinc/75/08/21/980750821.db2.gz GANBLNDFIOVYJP-GOSISDBHSA-N -1 0 397.431 3.847 20 5 GHBDRM CC[C@@H](C)C(=O)Nc1cccc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001594865156 982164189 /nfs/dbraw/zinc/16/41/89/982164189.db2.gz AWXRLOSGYQYSKE-CYBMUJFWSA-N -1 0 385.420 3.819 20 5 GHBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001595792826 982594322 /nfs/dbraw/zinc/59/43/22/982594322.db2.gz ZDFGYNCKMCKACR-OAHLLOKOSA-N -1 0 392.477 3.814 20 5 GHBDRM O=C([O-])CC1(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCCCC1 ZINC001594982900 982783991 /nfs/dbraw/zinc/78/39/91/982783991.db2.gz DJSJXFNOMCJFNL-UHFFFAOYSA-N -1 0 383.404 3.564 20 5 GHBDRM CCCn1ccnc1CCCN(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001596118254 983451629 /nfs/dbraw/zinc/45/16/29/983451629.db2.gz OSLSRQSLUNIADD-UHFFFAOYSA-N -1 0 380.832 3.622 20 5 GHBDRM CCN(Cc1nc2c(s1)C[C@H](C)CC2)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001596377473 983885443 /nfs/dbraw/zinc/88/54/43/983885443.db2.gz AMWPYFZRCJPEIK-GFCCVEGCSA-N -1 0 389.477 3.830 20 5 GHBDRM CCOC(=O)[C@@](C)(CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])c1ccccc1 ZINC001596516498 984298794 /nfs/dbraw/zinc/29/87/94/984298794.db2.gz NPYUMNWQHZMZBG-FQEVSTJZSA-N -1 0 386.404 3.534 20 5 GHBDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001599886897 984647087 /nfs/dbraw/zinc/64/70/87/984647087.db2.gz BMNUSETUXCCLBQ-CYBMUJFWSA-N -1 0 390.823 3.683 20 5 GHBDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001599886941 984647262 /nfs/dbraw/zinc/64/72/62/984647262.db2.gz DXQPXEZINRRMQF-CYBMUJFWSA-N -1 0 390.823 3.683 20 5 GHBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccnc1SCCC(=O)[O-] ZINC001589001037 984942460 /nfs/dbraw/zinc/94/24/60/984942460.db2.gz FWOAGABYRJWYTM-VAWYXSNFSA-N -1 0 387.417 3.599 20 5 GHBDRM CCOC(=O)c1cnc2ccccc2c1OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001596740732 985053329 /nfs/dbraw/zinc/05/33/29/985053329.db2.gz YYFBFPDHTHWTGC-UHFFFAOYSA-N -1 0 396.355 3.597 20 5 GHBDRM CC(=O)N(c1ccc(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc1)C1CC1 ZINC001589051365 985138721 /nfs/dbraw/zinc/13/87/21/985138721.db2.gz GVFCUCYHVFXDGD-JYOAFUTRSA-N -1 0 381.388 3.952 20 5 GHBDRM C[C@H]1COCC[C@H]1CNc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001594604890 986560555 /nfs/dbraw/zinc/56/05/55/986560555.db2.gz STWWXRSWRRIIIG-ZFWWWQNUSA-N -1 0 398.415 3.609 20 5 GHBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC001589458225 986900427 /nfs/dbraw/zinc/90/04/27/986900427.db2.gz ICHNVMFPQWGSHU-XIKOKIGWSA-N -1 0 390.823 3.759 20 5 GHBDRM CCC(=O)N1CCc2ccc(Nc3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])cc21 ZINC001594706240 987154646 /nfs/dbraw/zinc/15/46/46/987154646.db2.gz XZPVTCTTWOKDCA-XBXARRHUSA-N -1 0 381.388 3.735 20 5 GHBDRM C[C@@H](C(=O)O[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589539348 987234757 /nfs/dbraw/zinc/23/47/57/987234757.db2.gz CUHKOJCPYUMVQZ-BZNIZROVSA-N -1 0 377.780 3.591 20 5 GHBDRM CC[C@@H](OC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001597293823 987391581 /nfs/dbraw/zinc/39/15/81/987391581.db2.gz OKJOYRMDTJRHHC-GOSISDBHSA-N -1 0 395.371 3.787 20 5 GHBDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)cc1 ZINC001589638668 987561650 /nfs/dbraw/zinc/56/16/50/987561650.db2.gz RVPCQLCQIULSLA-UHFFFAOYSA-N -1 0 395.774 3.584 20 5 GHBDRM CSc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)cc1[N+](=O)[O-] ZINC001599810214 988321221 /nfs/dbraw/zinc/32/12/21/988321221.db2.gz LPCFGRQYCMAWIN-AWEZNQCLSA-N -1 0 381.793 3.953 20 5 GHBDRM CSc1cccc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c1[N+](=O)[O-] ZINC001599821536 988523108 /nfs/dbraw/zinc/52/31/08/988523108.db2.gz DZYJYWHJNOLXSW-UHFFFAOYSA-N -1 0 379.419 3.601 20 5 GHBDRM CSc1cccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC001599822197 988533619 /nfs/dbraw/zinc/53/36/19/988533619.db2.gz PTLADACYMLAUEW-CYBMUJFWSA-N -1 0 394.836 3.916 20 5 GHBDRM CCc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])sc1C ZINC001597681507 988814270 /nfs/dbraw/zinc/81/42/70/988814270.db2.gz FPTGSFOITQRYPE-UHFFFAOYSA-N 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CN(Cc1ccc(Cl)c(Cl)c1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598517751 992638911 /nfs/dbraw/zinc/63/89/11/992638911.db2.gz KORFYIRPQGKZAC-UHFFFAOYSA-N -1 0 399.230 3.997 20 5 GHBDRM CN(Cc1ccccc1OC(F)(F)F)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598530948 992779914 /nfs/dbraw/zinc/77/99/14/992779914.db2.gz ZWRRCPPWHRJCSE-UHFFFAOYSA-N -1 0 384.310 3.824 20 5 GHBDRM COc1ccc(N(C)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cc1Cl ZINC001599582980 993575728 /nfs/dbraw/zinc/57/57/28/993575728.db2.gz LKAQRNASYRHOBI-UHFFFAOYSA-N -1 0 393.783 3.932 20 5 GHBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC(=O)[O-])c2ccc3ccccc3c2)c1 ZINC001599621900 994095191 /nfs/dbraw/zinc/09/51/91/994095191.db2.gz GTCZVLMEAVFXLY-SFHVURJKSA-N -1 0 394.383 3.702 20 5 GHBDRM COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)c1 ZINC001599622067 994097532 /nfs/dbraw/zinc/09/75/32/994097532.db2.gz OQQPQNBXCKNZGP-AWEZNQCLSA-N -1 0 399.277 3.762 20 5 GHBDRM C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ncc(C(=O)[O-])s1 ZINC001593291882 994671987 /nfs/dbraw/zinc/67/19/87/994671987.db2.gz FDOHLYWXIIZIFZ-SSDOTTSWSA-N -1 0 375.328 3.619 20 5 GHBDRM C[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1c(F)cccc1Cl ZINC001593297842 994707070 /nfs/dbraw/zinc/70/70/70/994707070.db2.gz APQXRKLCWPSIBG-JTQLQIEISA-N -1 0 382.775 3.702 20 5 GHBDRM C[C@@H](O)C[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])c1ccccc1 ZINC001593449373 995338164 /nfs/dbraw/zinc/33/81/64/995338164.db2.gz CSKZMRQFHCUOCL-DGCLKSJQSA-N -1 0 378.812 3.913 20 5 GHBDRM CC1(C)CCC[C@@](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)(C(=O)[O-])C1 ZINC001593892290 996740531 /nfs/dbraw/zinc/74/05/31/996740531.db2.gz LDTLPBCLXHZWQL-INIZCTEOSA-N -1 0 388.342 3.767 20 5 GHBDRM COC(=O)N(C)Cc1ccc(Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC001598877837 996776119 /nfs/dbraw/zinc/77/61/19/996776119.db2.gz XFBOUPCKMHCEKK-UHFFFAOYSA-N -1 0 393.783 3.888 20 5 GHBDRM 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C[C@@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000833521824 605142097 /nfs/dbraw/zinc/14/20/97/605142097.db2.gz ARYGOMBULJTLKI-DYVFJYSZSA-N -1 0 385.420 3.807 20 5 GHBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000833508450 605152779 /nfs/dbraw/zinc/15/27/79/605152779.db2.gz VFPMQMSLTSBBNA-UHFFFAOYSA-N -1 0 395.462 3.821 20 5 GHBDRM Cc1ccc(C(=O)O[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000833747746 605277430 /nfs/dbraw/zinc/27/74/30/605277430.db2.gz HNTXUWIJQYIIBT-HNNXBMFYSA-N -1 0 397.305 3.775 20 5 GHBDRM C/C(=C/C(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000833381768 605342339 /nfs/dbraw/zinc/34/23/39/605342339.db2.gz IXTVVHRVDMVZNS-LCYFTJDESA-N -1 0 386.429 3.955 20 5 GHBDRM O=C([O-])Nc1ccc(F)c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000834262739 605894521 /nfs/dbraw/zinc/89/45/21/605894521.db2.gz XLCMLONGFPWBDI-UHFFFAOYSA-N -1 0 385.254 3.678 20 5 GHBDRM 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835091091 /nfs/dbraw/zinc/09/10/91/835091091.db2.gz NOUHORHNRPWIIN-UHFFFAOYSA-N -1 0 384.769 3.712 20 5 GHBDRM O=[N+]([O-])c1cc2c(ncnc2Sc2n[n-]c(=NC3CCCCC3)s2)s1 ZINC000584104312 835653209 /nfs/dbraw/zinc/65/32/09/835653209.db2.gz HUBOGMJHKQTTQO-UHFFFAOYSA-N -1 0 394.507 3.769 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(OC(F)(F)F)c1 ZINC000059773239 835773549 /nfs/dbraw/zinc/77/35/49/835773549.db2.gz GGBMTZFWHAIGHA-UHFFFAOYSA-N -1 0 376.312 3.603 20 5 GHBDRM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000161578247 836871982 /nfs/dbraw/zinc/87/19/82/836871982.db2.gz RMHYAEAXPQRWJF-UHFFFAOYSA-N -1 0 388.323 3.617 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])nn1C1CCCCC1 ZINC000582877230 837019953 /nfs/dbraw/zinc/01/99/53/837019953.db2.gz JUGHZLLYUBLMHL-UHFFFAOYSA-N -1 0 378.454 3.714 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1[N+](=O)[O-] ZINC000543859975 837130331 /nfs/dbraw/zinc/13/03/31/837130331.db2.gz MQKOCOOHOYQWHV-UHFFFAOYSA-N -1 0 383.234 3.773 20 5 GHBDRM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1C ZINC000610796456 844252510 /nfs/dbraw/zinc/25/25/10/844252510.db2.gz CJOSFMCIKDPPER-UHFFFAOYSA-N -1 0 391.449 3.588 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000377778897 837957768 /nfs/dbraw/zinc/95/77/68/837957768.db2.gz KYUGCWIXUKTCJU-SFHVURJKSA-N -1 0 390.823 3.540 20 5 GHBDRM CC(C)c1csc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000414447319 838257851 /nfs/dbraw/zinc/25/78/51/838257851.db2.gz ZRMCCVQGKROCDV-UHFFFAOYSA-N -1 0 395.384 3.994 20 5 GHBDRM CCc1c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)onc1C(F)(F)F ZINC000414450022 838275231 /nfs/dbraw/zinc/27/52/31/838275231.db2.gz DZDCOYGYQAHNEN-UHFFFAOYSA-N -1 0 393.343 3.582 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000134058373 838286366 /nfs/dbraw/zinc/28/63/66/838286366.db2.gz SXHWOZCFEWIFCK-UHFFFAOYSA-N -1 0 385.785 3.574 20 5 GHBDRM CCCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc2C1 ZINC000236746722 839262780 /nfs/dbraw/zinc/26/27/80/839262780.db2.gz IDOBSEQHFUBAHC-GOSISDBHSA-N -1 0 382.416 3.703 20 5 GHBDRM Cc1nc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)oc1-c1ccc(Cl)cc1 ZINC000134229428 839539695 /nfs/dbraw/zinc/53/96/95/839539695.db2.gz IXTJQDISMPJPQH-UHFFFAOYSA-N -1 0 387.779 3.847 20 5 GHBDRM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)c2)o1 ZINC000119173399 839889750 /nfs/dbraw/zinc/88/97/50/839889750.db2.gz ZRGKMHAYXBXMFF-UHFFFAOYSA-N -1 0 379.419 3.729 20 5 GHBDRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000512553314 844507905 /nfs/dbraw/zinc/50/79/05/844507905.db2.gz BMVSVYYSPVGDEE-CYBMUJFWSA-N -1 0 397.431 3.992 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc1C ZINC000511713031 840544956 /nfs/dbraw/zinc/54/49/56/840544956.db2.gz OTPPQSDPQKVKES-UHFFFAOYSA-N -1 0 378.450 3.937 20 5 GHBDRM O=C([O-])c1ccnc(NCC2(c3ccc(Cl)cc3)CCOCC2)c1[N+](=O)[O-] ZINC000581550695 841655864 /nfs/dbraw/zinc/65/58/64/841655864.db2.gz LECIVWWKDSLQDI-UHFFFAOYSA-N -1 0 391.811 3.502 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000127274511 842115647 /nfs/dbraw/zinc/11/56/47/842115647.db2.gz NQHIBZCVIWYMPE-UHFFFAOYSA-N -1 0 384.826 3.501 20 5 GHBDRM C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182006781 842178633 /nfs/dbraw/zinc/17/86/33/842178633.db2.gz IMYIWNRTSVWDJS-PIGZYNQJSA-N -1 0 376.796 3.556 20 5 GHBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2C[C@H]2c2ccccc2OC(F)F)n1 ZINC000581946284 842788951 /nfs/dbraw/zinc/78/89/51/842788951.db2.gz GXGDAKCKDSAATB-CMPLNLGQSA-N -1 0 379.319 3.566 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000613903999 843477019 /nfs/dbraw/zinc/47/70/19/843477019.db2.gz ZVNQCBPQOJWTIN-HTQZYQBOSA-N -1 0 386.248 3.503 20 5 GHBDRM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181931548 843626971 /nfs/dbraw/zinc/62/69/71/843626971.db2.gz GSSFQSHTEQDKAO-CYBMUJFWSA-N -1 0 397.431 3.733 20 5 GHBDRM O=C(N[C@H](Cc1ccccc1)c1ncco1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001143418776 844656129 /nfs/dbraw/zinc/65/61/29/844656129.db2.gz JPRPHJYWDYAYET-CQSZACIVSA-N -1 0 387.779 3.656 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000317799091 845016753 /nfs/dbraw/zinc/01/67/53/845016753.db2.gz LPNMGIGDHJMWOK-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM C[C@@H]1c2cccc(Br)c2CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000509910241 845099329 /nfs/dbraw/zinc/09/93/29/845099329.db2.gz JPQOMUYAECVQTG-SNVBAGLBSA-N -1 0 391.221 3.822 20 5 GHBDRM O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000159963001 845373575 /nfs/dbraw/zinc/37/35/75/845373575.db2.gz SOMZQCTYIOCHRD-HXUWFJFHSA-N -1 0 388.383 3.696 20 5 GHBDRM Cc1cnc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)nc1-c1ccccc1 ZINC000433154509 845520994 /nfs/dbraw/zinc/52/09/94/845520994.db2.gz ZQAALIWZALJBIK-UHFFFAOYSA-N -1 0 398.444 3.778 20 5 GHBDRM C[C@@H]1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC000263024313 845777694 /nfs/dbraw/zinc/77/76/94/845777694.db2.gz QLSXJAMHRBBGJW-CJNGLKHVSA-N -1 0 383.404 3.521 20 5 GHBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000263358397 846184914 /nfs/dbraw/zinc/18/49/14/846184914.db2.gz RLEZHAFAFZVSAN-KBPBESRZSA-N -1 0 384.388 3.570 20 5 GHBDRM CN(CCc1cccc2ccccc21)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237217326 846215113 /nfs/dbraw/zinc/21/51/13/846215113.db2.gz RLAXOILNFCNTHM-UHFFFAOYSA-N -1 0 378.384 3.761 20 5 GHBDRM O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280660637 846485544 /nfs/dbraw/zinc/48/55/44/846485544.db2.gz APHOOUWBJOILSA-UHFFFAOYSA-N -1 0 398.419 3.961 20 5 GHBDRM Cc1cc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(=O)[O-])ccc1F ZINC000555760277 861771083 /nfs/dbraw/zinc/77/10/83/861771083.db2.gz MTAURMUSGUDPFD-AWEZNQCLSA-N -1 0 381.747 3.643 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000135613680 848217716 /nfs/dbraw/zinc/21/77/16/848217716.db2.gz WETNPLOANMJVOB-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)c(C(F)(F)F)c1 ZINC000135932219 848830144 /nfs/dbraw/zinc/83/01/44/848830144.db2.gz AZBREYITKBOELT-UHFFFAOYSA-N -1 0 397.334 3.963 20 5 GHBDRM O=C([O-])[C@H](Cc1cccc2ccccc21)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000583001630 848850512 /nfs/dbraw/zinc/85/05/12/848850512.db2.gz IWMQTCYOCUGRAF-SFHVURJKSA-N -1 0 379.372 3.565 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1csc(-c2ccncc2)n1 ZINC000185963665 862003404 /nfs/dbraw/zinc/00/34/04/862003404.db2.gz BAINHDAPOQHMAO-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604287375 862036114 /nfs/dbraw/zinc/03/61/14/862036114.db2.gz KZKDAXNLJNEELO-DTORHVGOSA-N -1 0 386.248 3.503 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000503913749 849773373 /nfs/dbraw/zinc/77/33/73/849773373.db2.gz YLSHLMSJWJOIBT-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM C[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@H]1C(=O)[O-] ZINC000424253252 850314313 /nfs/dbraw/zinc/31/43/13/850314313.db2.gz KPBZXXXEVSUWDS-IFXJQAMLSA-N -1 0 397.431 3.532 20 5 GHBDRM COc1ccc(-c2csc(CNC(=O)c3cc([O-])cc([N+](=O)[O-])c3)c2)cc1 ZINC000506726663 850628767 /nfs/dbraw/zinc/62/87/67/850628767.db2.gz VRDUOJHNTJILTB-UHFFFAOYSA-N -1 0 384.413 3.968 20 5 GHBDRM Cc1cc(NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910373631 851163243 /nfs/dbraw/zinc/16/32/43/851163243.db2.gz PQRQMENZHXREBT-INIZCTEOSA-N -1 0 377.828 3.970 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1-n1cccn1 ZINC000515632345 851273446 /nfs/dbraw/zinc/27/34/46/851273446.db2.gz NKKUQTVOOXKRGN-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000488265487 851328177 /nfs/dbraw/zinc/32/81/77/851328177.db2.gz RPFAQGWGDGOKHK-UHFFFAOYSA-N -1 0 396.730 3.773 20 5 GHBDRM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000515699603 851374129 /nfs/dbraw/zinc/37/41/29/851374129.db2.gz RGPSEUJSNLQFHH-UHFFFAOYSA-N -1 0 380.422 3.583 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000505805337 851543196 /nfs/dbraw/zinc/54/31/96/851543196.db2.gz OYQUBEKLJKQXIL-UHFFFAOYSA-N -1 0 381.363 3.850 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc([N+](=O)[O-])c1 ZINC000604496567 862256928 /nfs/dbraw/zinc/25/69/28/862256928.db2.gz BCTVRHBCPLPRFV-CQSZACIVSA-N -1 0 393.399 3.794 20 5 GHBDRM C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436640869 852149615 /nfs/dbraw/zinc/14/96/15/852149615.db2.gz ZIENTLHJHNFAKF-JTQLQIEISA-N -1 0 384.310 3.517 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000436742904 852261614 /nfs/dbraw/zinc/26/16/14/852261614.db2.gz XFHAMBWAAAIHIJ-UHFFFAOYSA-N -1 0 383.379 3.941 20 5 GHBDRM O=C(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436817898 852357395 /nfs/dbraw/zinc/35/73/95/852357395.db2.gz JKBTWTSEODSDNG-SFHVURJKSA-N -1 0 390.823 3.852 20 5 GHBDRM Cc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])nn1-c1ccccc1C(C)C ZINC000436854956 852399932 /nfs/dbraw/zinc/39/99/32/852399932.db2.gz VRENUYFYPIAMHF-UHFFFAOYSA-N -1 0 381.392 3.565 20 5 GHBDRM O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436942181 852522631 /nfs/dbraw/zinc/52/26/31/852522631.db2.gz BDIIASZMDHMHIV-UHFFFAOYSA-N -1 0 393.403 3.538 20 5 GHBDRM COc1cc([C@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1OCC(C)C ZINC000436948683 852531419 /nfs/dbraw/zinc/53/14/19/852531419.db2.gz IBGYGOURITXVFW-ZDUSSCGKSA-N -1 0 388.420 3.835 20 5 GHBDRM O=C(Nc1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436969346 852540138 /nfs/dbraw/zinc/54/01/38/852540138.db2.gz ZNWQCEHNJOKZKO-UHFFFAOYSA-N -1 0 377.356 3.805 20 5 GHBDRM O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436958988 852548950 /nfs/dbraw/zinc/54/89/50/852548950.db2.gz KWFJPBWFGNIIQO-UHFFFAOYSA-N -1 0 380.322 3.781 20 5 GHBDRM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000507216174 852678790 /nfs/dbraw/zinc/67/87/90/852678790.db2.gz XJRCFDZFAQMIJI-UHFFFAOYSA-N -1 0 397.431 3.733 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccnn2[C@@H]2CCCc3ccccc32)c1 ZINC000516534075 852694645 /nfs/dbraw/zinc/69/46/45/852694645.db2.gz NJHVQLDAFVJWRQ-GOSISDBHSA-N -1 0 398.444 3.518 20 5 GHBDRM O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507278341 852748709 /nfs/dbraw/zinc/74/87/09/852748709.db2.gz IKDQCFZOJNCZFA-GOSISDBHSA-N -1 0 383.791 3.868 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000507289723 852763587 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PHHMTKPUBUPKHE-UHFFFAOYSA-N -1 0 376.328 3.756 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1sc(C)nc1CC(C)C ZINC000516669390 852855102 /nfs/dbraw/zinc/85/51/02/852855102.db2.gz XDZLCCAQARYHFZ-UHFFFAOYSA-N -1 0 383.495 3.921 20 5 GHBDRM C[C@H](Oc1cccnc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000490321507 852922590 /nfs/dbraw/zinc/92/25/90/852922590.db2.gz JVYLJISPHKAVSC-AWEZNQCLSA-N -1 0 399.428 3.931 20 5 GHBDRM O=C([O-])c1ccnc(N2CCC[C@H]2c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000519610001 853035376 /nfs/dbraw/zinc/03/53/76/853035376.db2.gz UZFJNDJEYJLZFK-ZDUSSCGKSA-N -1 0 392.209 3.792 20 5 GHBDRM O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000184054467 853068521 /nfs/dbraw/zinc/06/85/21/853068521.db2.gz KGWCFTFLAOKXEN-UHFFFAOYSA-N -1 0 376.328 3.756 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)cc1C ZINC000481875834 862435189 /nfs/dbraw/zinc/43/51/89/862435189.db2.gz PYRUNCXMNASODQ-UHFFFAOYSA-N -1 0 397.884 3.727 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cn2)c([N+](=O)[O-])c1 ZINC000518332267 853216812 /nfs/dbraw/zinc/21/68/12/853216812.db2.gz NOHLVCLHMBLDKG-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM O=C(N[C@@H](COCc1ccccc1)c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506487038 853299171 /nfs/dbraw/zinc/29/91/71/853299171.db2.gz NFERHMZOAYAWBR-NRFANRHFSA-N -1 0 392.411 3.988 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000586750195 853520222 /nfs/dbraw/zinc/52/02/22/853520222.db2.gz HCHYLLUQWXEOQI-UHFFFAOYSA-N -1 0 391.430 3.528 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1csc(-c2ccccc2)n1 ZINC000586750080 853520596 /nfs/dbraw/zinc/52/05/96/853520596.db2.gz LOZDDMOMEVBFQN-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000518676363 853640875 /nfs/dbraw/zinc/64/08/75/853640875.db2.gz ABDNCZCFLVBHNI-UHFFFAOYSA-N -1 0 377.356 3.550 20 5 GHBDRM COc1ccc(C(=O)CCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000542749407 855612385 /nfs/dbraw/zinc/61/23/85/855612385.db2.gz QWMKZRJBUVVFIL-UHFFFAOYSA-N -1 0 378.768 3.564 20 5 GHBDRM Cc1c(NS(=O)(=O)CCc2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000485397908 856443950 /nfs/dbraw/zinc/44/39/50/856443950.db2.gz ZWZZLHFPXXALGJ-UHFFFAOYSA-N -1 0 399.266 3.650 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000427701733 856608631 /nfs/dbraw/zinc/60/86/31/856608631.db2.gz MVEDBKLSJMOYPQ-UHFFFAOYSA-N -1 0 381.182 3.632 20 5 GHBDRM COCc1ccccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000542927678 856866385 /nfs/dbraw/zinc/86/63/85/856866385.db2.gz CTEMZVIRMGHNQE-UHFFFAOYSA-N -1 0 390.339 3.561 20 5 GHBDRM CC[C@@](C)([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000173376662 856896661 /nfs/dbraw/zinc/89/66/61/856896661.db2.gz NRDUKNJCXSBPSE-CQSZACIVSA-N -1 0 389.886 3.617 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccn3)s2)c(Cl)c1 ZINC000508101993 856917988 /nfs/dbraw/zinc/91/79/88/856917988.db2.gz KQGODUZVISUSNA-UHFFFAOYSA-N -1 0 396.837 3.568 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1csc(-c2ccccn2)n1 ZINC000508121520 856954033 /nfs/dbraw/zinc/95/40/33/856954033.db2.gz XPGTYGYGNOFYFY-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)c(Cl)c1 ZINC000508147626 856993697 /nfs/dbraw/zinc/99/36/97/856993697.db2.gz XZYHULAYQOXFGG-UHFFFAOYSA-N -1 0 396.837 3.568 20 5 GHBDRM O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000428029466 857038063 /nfs/dbraw/zinc/03/80/63/857038063.db2.gz ARIFMVRYFXLODR-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000428047335 857057691 /nfs/dbraw/zinc/05/76/91/857057691.db2.gz IZGQQKWOCSDAID-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM O=[N+]([O-])c1cc([O-])cc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)c1 ZINC000486111444 857439219 /nfs/dbraw/zinc/43/92/19/857439219.db2.gz VUHCZZGUSUOGFS-UHFFFAOYSA-N -1 0 390.355 3.991 20 5 GHBDRM Cn1nc(-c2ccc(Cl)s2)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000486554765 857854405 /nfs/dbraw/zinc/85/44/05/857854405.db2.gz DRFGJMIMEMVGCH-UHFFFAOYSA-N -1 0 398.853 3.511 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c2cccnc12 ZINC000486627009 857911643 /nfs/dbraw/zinc/91/16/43/857911643.db2.gz SELYFOTTXUESBI-UHFFFAOYSA-N -1 0 387.417 3.569 20 5 GHBDRM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1Cl ZINC000486646886 857939879 /nfs/dbraw/zinc/93/98/79/857939879.db2.gz QOYGOMSQXOCFFF-SECBINFHSA-N -1 0 375.233 3.941 20 5 GHBDRM Cc1ccc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)c2n1 ZINC000066587564 858200184 /nfs/dbraw/zinc/20/01/84/858200184.db2.gz ASNGELLCJFXLOL-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM Cc1ccc2[nH]c([C@@H]3CCCN(c4ccc([N+](=O)[O-])c(C(=O)[O-])c4)C3)nc2c1 ZINC000592973444 858465837 /nfs/dbraw/zinc/46/58/37/858465837.db2.gz NGGUMUFTILGSCQ-CYBMUJFWSA-N -1 0 380.404 3.862 20 5 GHBDRM COC[C@@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000592974974 858466553 /nfs/dbraw/zinc/46/65/53/858466553.db2.gz IAVJPXLSOSZTMQ-CYBMUJFWSA-N -1 0 399.325 3.815 20 5 GHBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000466637035 858840729 /nfs/dbraw/zinc/84/07/29/858840729.db2.gz WLMVHPWFQSFOFL-LBPRGKRZSA-N -1 0 398.806 3.533 20 5 GHBDRM O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000134357814 858974812 /nfs/dbraw/zinc/97/48/12/858974812.db2.gz NFAZEASGSYOENO-SFHVURJKSA-N -1 0 383.791 3.868 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)c([N+](=O)[O-])c1 ZINC000509622516 859014126 /nfs/dbraw/zinc/01/41/26/859014126.db2.gz SISZBDOHYFZSOZ-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000160601627 859045084 /nfs/dbraw/zinc/04/50/84/859045084.db2.gz UGDSYRXXBODRAW-UHFFFAOYSA-N -1 0 384.339 3.548 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)c2ncccc12 ZINC000509382642 859247257 /nfs/dbraw/zinc/24/72/57/859247257.db2.gz DQHSDTKKCRAMBA-UHFFFAOYSA-N -1 0 394.412 3.735 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2C)c1[N+](=O)[O-] ZINC000509383470 859258405 /nfs/dbraw/zinc/25/84/05/859258405.db2.gz CVRAYDYWZINEJO-UHFFFAOYSA-N -1 0 389.355 3.735 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2csc([N-]S(=O)(=O)Cc3cccc(F)c3)n2)c1 ZINC000160856550 859286337 /nfs/dbraw/zinc/28/63/37/859286337.db2.gz MOZFKEAYIKTAKT-UHFFFAOYSA-N -1 0 393.421 3.799 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(F)cc1OC(F)F ZINC000543672973 859360466 /nfs/dbraw/zinc/36/04/66/859360466.db2.gz KYKNMEVFGIJNRR-UHFFFAOYSA-N -1 0 376.674 3.947 20 5 GHBDRM COc1ccc(C(=O)CCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(Cl)c1 ZINC000483448285 859365783 /nfs/dbraw/zinc/36/57/83/859365783.db2.gz VJGNRGVEGWVOEZ-UHFFFAOYSA-N -1 0 378.768 3.564 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc2c([nH]c1=O)CCCCC2 ZINC000543681137 859412506 /nfs/dbraw/zinc/41/25/06/859412506.db2.gz SVZPLOBDDXTXNA-UHFFFAOYSA-N -1 0 377.784 3.576 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000131287021 859599920 /nfs/dbraw/zinc/59/99/20/859599920.db2.gz HIRPUMWZTBAUMG-UHFFFAOYSA-N -1 0 396.837 3.568 20 5 GHBDRM O=C([O-])Cc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000543433755 859705323 /nfs/dbraw/zinc/70/53/23/859705323.db2.gz SDTLLSBZTVMBNO-UHFFFAOYSA-N -1 0 383.385 3.598 20 5 GHBDRM CSc1ccc(NC(=O)Cn2cc([N-]c3sccc3[N+](=O)[O-])cn2)cc1 ZINC000611413223 859746618 /nfs/dbraw/zinc/74/66/18/859746618.db2.gz XYRLMTXGYNKZJT-UHFFFAOYSA-N -1 0 389.462 3.957 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000611478705 859776080 /nfs/dbraw/zinc/77/60/80/859776080.db2.gz WSCTWURGQJVRJH-CQSZACIVSA-N -1 0 376.453 3.855 20 5 GHBDRM CC1(C(=O)[O-])CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000611478066 859776247 /nfs/dbraw/zinc/77/62/47/859776247.db2.gz PJSIIGMJCPJMPI-UHFFFAOYSA-N -1 0 383.404 3.665 20 5 GHBDRM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185361213 859954503 /nfs/dbraw/zinc/95/45/03/859954503.db2.gz HXFMSQLBRABCBJ-UHFFFAOYSA-N -1 0 397.431 3.733 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000552150361 860000455 /nfs/dbraw/zinc/00/04/55/860000455.db2.gz AEFDBRVJEHDWND-UHFFFAOYSA-N -1 0 376.359 3.674 20 5 GHBDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1Cl ZINC000327799748 860001728 /nfs/dbraw/zinc/00/17/28/860001728.db2.gz FNJLTEVVUBMHAN-UHFFFAOYSA-N -1 0 388.804 3.975 20 5 GHBDRM Cc1cc([C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])C2)c(O)cc1Cl ZINC000598331703 860238595 /nfs/dbraw/zinc/23/85/95/860238595.db2.gz QGOVOBRQMPWIIQ-LLVKDONJSA-N -1 0 376.796 3.598 20 5 GHBDRM O=C(Nc1cc(Cl)ccc1C(=O)[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])o1 ZINC000598454068 860319412 /nfs/dbraw/zinc/31/94/12/860319412.db2.gz UIKOMVMCLGBZAL-SNVBAGLBSA-N -1 0 378.768 3.703 20 5 GHBDRM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000484829742 860396421 /nfs/dbraw/zinc/39/64/21/860396421.db2.gz JZOINZDAKLIXCP-UHFFFAOYSA-N -1 0 392.433 3.597 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2CCCC[C@H]2Cc2ccccc2F)cc([N+](=O)[O-])c1 ZINC000593702924 860929973 /nfs/dbraw/zinc/92/99/73/860929973.db2.gz UUGIGYOWRQNKHN-INIZCTEOSA-N -1 0 386.379 3.670 20 5 GHBDRM Cc1ccc(C)c(OC2CCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)c1 ZINC000593735403 861127692 /nfs/dbraw/zinc/12/76/92/861127692.db2.gz MCNSJHCVOHWNNI-UHFFFAOYSA-N -1 0 384.432 3.953 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1[N+](=O)[O-] ZINC000172885028 864058210 /nfs/dbraw/zinc/05/82/10/864058210.db2.gz RSNIJLZBUJYMPS-UHFFFAOYSA-N -1 0 391.380 3.862 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1nc2cc(F)c(F)cc2s1 ZINC000481051145 865745278 /nfs/dbraw/zinc/74/52/78/865745278.db2.gz BEFAFZXUHZBYCC-UHFFFAOYSA-N -1 0 399.400 3.900 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1nc2cc(Cl)ccc2n1C ZINC000481066127 865773254 /nfs/dbraw/zinc/77/32/54/865773254.db2.gz ZYQFLWVTOWJYMJ-UHFFFAOYSA-N -1 0 394.840 3.553 20 5 GHBDRM Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2n1 ZINC000608955731 865880541 /nfs/dbraw/zinc/88/05/41/865880541.db2.gz GJLRMMZENOJHPE-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@]1(Cc2cccc(Cl)c2)CCOC1 ZINC000456011845 865988859 /nfs/dbraw/zinc/98/88/59/865988859.db2.gz SKUQEZVGSZSFIS-SFHVURJKSA-N -1 0 376.796 3.542 20 5 GHBDRM O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000151997037 866475453 /nfs/dbraw/zinc/47/54/53/866475453.db2.gz RFEMUWBFERMASR-NDEPHWFRSA-N -1 0 396.424 3.861 20 5 GHBDRM O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000444561039 866882904 /nfs/dbraw/zinc/88/29/04/866882904.db2.gz YOLJSPPINYMOGS-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)ccc1OC(C)C ZINC000742032291 867020012 /nfs/dbraw/zinc/02/00/12/867020012.db2.gz RCEGKNWXGFXBON-UHFFFAOYSA-N -1 0 382.413 3.939 20 5 GHBDRM CC(C)c1nc2c([nH]1)C[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2 ZINC000476572618 882096576 /nfs/dbraw/zinc/09/65/76/882096576.db2.gz LOQGVPZEFCJKLS-SECBINFHSA-N -1 0 378.816 3.544 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n(-c2ccccc2C)n1 ZINC000523773275 867939965 /nfs/dbraw/zinc/93/99/65/867939965.db2.gz OUMROFJZCGWTOY-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(Cc3nc4ccccc4n3C(F)F)no2)cc1[O-] ZINC000445207949 867961526 /nfs/dbraw/zinc/96/15/26/867961526.db2.gz ZWROZYIQRRBNJR-UHFFFAOYSA-N -1 0 387.302 3.686 20 5 GHBDRM COc1ccc2nc([N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])sc2c1 ZINC000479994701 868874121 /nfs/dbraw/zinc/87/41/21/868874121.db2.gz RUBQOEIRIDSSBE-UHFFFAOYSA-N -1 0 393.446 3.631 20 5 GHBDRM O=C([O-])C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CCCCC1 ZINC000539616181 869433862 /nfs/dbraw/zinc/43/38/62/869433862.db2.gz PTYPVXHCRUTMKJ-CQSZACIVSA-N -1 0 376.434 3.963 20 5 GHBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000462483333 869525157 /nfs/dbraw/zinc/52/51/57/869525157.db2.gz DIWBWMSEXHFSAY-LBPRGKRZSA-N -1 0 388.474 3.804 20 5 GHBDRM CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000539933010 870031388 /nfs/dbraw/zinc/03/13/88/870031388.db2.gz WPNQJOQAHXLAKR-MRXNPFEDSA-N -1 0 380.404 3.647 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1c(-c2ccccc2)nc2ccccn21 ZINC000446710039 870212386 /nfs/dbraw/zinc/21/23/86/870212386.db2.gz CJQOGCQFHSHOGA-UHFFFAOYSA-N -1 0 394.412 3.710 20 5 GHBDRM CCc1[nH]nc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1-c1cccs1 ZINC000446947388 870757466 /nfs/dbraw/zinc/75/74/66/870757466.db2.gz XWUOHDKKBCAYCP-UHFFFAOYSA-N -1 0 392.462 3.718 20 5 GHBDRM CCc1[nH]nc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1-c1cccs1 ZINC000446948600 870786952 /nfs/dbraw/zinc/78/69/52/870786952.db2.gz BHZVBARVYJUMCX-UHFFFAOYSA-N -1 0 392.462 3.718 20 5 GHBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ccco2)cc1F ZINC000447274580 871266337 /nfs/dbraw/zinc/26/63/37/871266337.db2.gz NSVLPYLLPPVNGW-UHFFFAOYSA-N -1 0 392.364 3.809 20 5 GHBDRM CCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1F ZINC000463783645 872594862 /nfs/dbraw/zinc/59/48/62/872594862.db2.gz UEANNRHXFWKVAF-UHFFFAOYSA-N -1 0 375.381 3.645 20 5 GHBDRM COCCC[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000552682702 872992927 /nfs/dbraw/zinc/99/29/27/872992927.db2.gz SWLBUFIHIMNWKU-AWEZNQCLSA-N -1 0 392.839 3.894 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cs1 ZINC000768881110 873643505 /nfs/dbraw/zinc/64/35/05/873643505.db2.gz KKOWGAMWIRFNAA-UHFFFAOYSA-N -1 0 377.403 3.644 20 5 GHBDRM CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768882903 873646455 /nfs/dbraw/zinc/64/64/55/873646455.db2.gz QGTKUDXOUQFLOZ-UHFFFAOYSA-N -1 0 376.843 3.899 20 5 GHBDRM CCOC(=O)c1cnc(/C=C/c2cc([N+](=O)[O-])ccc2Cl)c(C(=O)[O-])c1 ZINC000769262479 873931717 /nfs/dbraw/zinc/93/17/17/873931717.db2.gz YEDBTFHJCMMJIU-ZZXKWVIFSA-N -1 0 376.752 3.689 20 5 GHBDRM COc1cccc(CCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1OC ZINC000541822358 874337943 /nfs/dbraw/zinc/33/79/43/874337943.db2.gz HRFCJQJWWIIGHB-UHFFFAOYSA-N -1 0 380.784 3.542 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000541979519 874693936 /nfs/dbraw/zinc/69/39/36/874693936.db2.gz VSSQBYAYGRAOAS-MRXNPFEDSA-N -1 0 396.321 3.533 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cnc1Cl ZINC000770522138 874741226 /nfs/dbraw/zinc/74/12/26/874741226.db2.gz YIZRWXDVWWNXFI-UHFFFAOYSA-N -1 0 395.746 3.771 20 5 GHBDRM CCc1c(C)nn(-c2cccc(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)c2)c1C ZINC000776196364 875794287 /nfs/dbraw/zinc/79/42/87/875794287.db2.gz YNXMUAGHVQSYFW-UHFFFAOYSA-N -1 0 380.404 3.918 20 5 GHBDRM CCOc1cc(CSc2n[n-]c(=NCc3ccco3)s2)ccc1[N+](=O)[O-] ZINC000491868416 875993530 /nfs/dbraw/zinc/99/35/30/875993530.db2.gz KOMIMABHQMHYGT-UHFFFAOYSA-N -1 0 392.462 3.764 20 5 GHBDRM CCCC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000786272238 876581479 /nfs/dbraw/zinc/58/14/79/876581479.db2.gz HZQLTJBXWQRWBV-UHFFFAOYSA-N -1 0 376.862 3.578 20 5 GHBDRM O=C(NCCOc1ccccc1-c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000519994896 876671786 /nfs/dbraw/zinc/67/17/86/876671786.db2.gz CHVGQRINZSTIES-UHFFFAOYSA-N -1 0 378.384 3.776 20 5 GHBDRM Cc1cc(C(F)(F)F)ccc1C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000466755613 877064546 /nfs/dbraw/zinc/06/45/46/877064546.db2.gz ZWVXGKOMWIGCHS-UHFFFAOYSA-N -1 0 392.330 3.540 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nccs2)cc1 ZINC000609393367 883103164 /nfs/dbraw/zinc/10/31/64/883103164.db2.gz MEDQZOBOPHFWDP-UHFFFAOYSA-N -1 0 391.430 3.528 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc2c(s1)CCCCCC2 ZINC000195638821 877197510 /nfs/dbraw/zinc/19/75/10/877197510.db2.gz SFKLKTARMDLSHO-UHFFFAOYSA-N -1 0 381.479 3.820 20 5 GHBDRM CCOC(=O)c1ccnc([N-]c2c(C)nn(-c3ccccc3)c2C)c1[N+](=O)[O-] ZINC000609960572 877218611 /nfs/dbraw/zinc/21/86/11/877218611.db2.gz YXQIVEZJXUOYAR-UHFFFAOYSA-N -1 0 381.392 3.713 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C3CCCCC3)nn2C)cc1C ZINC000477380150 877541147 /nfs/dbraw/zinc/54/11/47/877541147.db2.gz YPGVIHPIZVUGHR-UHFFFAOYSA-N -1 0 392.481 3.794 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000110122058 877861704 /nfs/dbraw/zinc/86/17/04/877861704.db2.gz HRGJFQDYQHPCDS-UHFFFAOYSA-N -1 0 384.826 3.501 20 5 GHBDRM O=C(Cc1ccc(Br)c(Cl)c1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000615932972 878318411 /nfs/dbraw/zinc/31/84/11/878318411.db2.gz XEKYMRDDIYSOOL-UHFFFAOYSA-N -1 0 385.601 3.898 20 5 GHBDRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237944650 878374681 /nfs/dbraw/zinc/37/46/81/878374681.db2.gz QEGZDXLRZIFJNO-ZDUSSCGKSA-N -1 0 389.433 3.578 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000776632651 878658492 /nfs/dbraw/zinc/65/84/92/878658492.db2.gz 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O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1ccc(Cl)cc1Cl ZINC000520155827 879906301 /nfs/dbraw/zinc/90/63/01/879906301.db2.gz ZPOWXSQCEOAJJP-UHFFFAOYSA-N -1 0 379.196 3.519 20 5 GHBDRM Cc1ncc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000551342292 883706765 /nfs/dbraw/zinc/70/67/65/883706765.db2.gz BAWXHYLVUKQPCQ-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM Cc1ccccc1CN(Cc1ccccn1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000476232296 884285841 /nfs/dbraw/zinc/28/58/41/884285841.db2.gz XHWGVPWVULDQPC-UHFFFAOYSA-N -1 0 377.400 3.846 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)cc1OC(C)(C)C ZINC000498501872 884605975 /nfs/dbraw/zinc/60/59/75/884605975.db2.gz WNLFVLZMSGDMKD-UHFFFAOYSA-N -1 0 398.412 3.721 20 5 GHBDRM O=C([O-])/C=C/c1ccc(NCc2cccnc2OCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000914787503 884791801 /nfs/dbraw/zinc/79/18/01/884791801.db2.gz RJMXGDMGOKWVMR-GQCTYLIASA-N -1 0 397.309 3.641 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nnc(C[C@H](C)CC(C)(C)C)o1 ZINC000194883428 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CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c1C ZINC000829926878 935882655 /nfs/dbraw/zinc/88/26/55/935882655.db2.gz FWZSYXWGGKCDEC-QMMMGPOBSA-N -1 0 390.824 3.664 20 5 GHBDRM O=C([O-])[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccc2ccccc2c1 ZINC000562409836 939323325 /nfs/dbraw/zinc/32/33/25/939323325.db2.gz ZJYSNEFQRFRXSN-QGZVFWFLSA-N -1 0 383.335 3.835 20 5 GHBDRM O=C([O-])Cc1cccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 ZINC001595132717 952044835 /nfs/dbraw/zinc/04/48/35/952044835.db2.gz OTIJOGJGUMJUSS-UHFFFAOYSA-N -1 0 377.356 3.536 20 5 GHBDRM O=C([O-])[C@H]1C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)c2ccccc21 ZINC001594811444 953829278 /nfs/dbraw/zinc/82/92/78/953829278.db2.gz SXPZFJGDFVNFKH-AAEUAGOBSA-N -1 0 375.768 3.683 20 5 GHBDRM CC(C)Oc1cc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)ccc1[N+](=O)[O-] ZINC001603079963 972150335 /nfs/dbraw/zinc/15/03/35/972150335.db2.gz BRIUMIWHPWKCND-OAHLLOKOSA-N -1 0 384.388 3.601 20 5 GHBDRM 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ZINC000841502493 979304833 /nfs/dbraw/zinc/30/48/33/979304833.db2.gz GXQJECGBTYRODR-UHFFFAOYSA-N -1 0 399.403 3.544 20 5 GHBDRM CC[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])Oc1ccccc1C(F)(F)F ZINC001595175999 979762657 /nfs/dbraw/zinc/76/26/57/979762657.db2.gz KSIXQPLPCJGATM-LLVKDONJSA-N -1 0 399.325 3.976 20 5 GHBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC001595211187 979989223 /nfs/dbraw/zinc/98/92/23/979989223.db2.gz DJPDCLUQXBVAOI-LPHOPBHVSA-N -1 0 384.432 3.886 20 5 GHBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001595212270 979997941 /nfs/dbraw/zinc/99/79/41/979997941.db2.gz NFIFCUACTXWTHK-AWEZNQCLSA-N -1 0 386.404 3.533 20 5 GHBDRM CCC1(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CCCC1 ZINC001595378894 980916065 /nfs/dbraw/zinc/91/60/65/980916065.db2.gz OBCDAAAWKVXOGU-UHFFFAOYSA-N -1 0 380.466 3.862 20 5 GHBDRM CCCC[C@@H](CNC(=O)OC(C)(C)C)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001595633288 981869193 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CCc1cccc(C(=O)[O-])c1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001597572323 988353934 /nfs/dbraw/zinc/35/39/34/988353934.db2.gz JRXMXCDYLWWFJO-UHFFFAOYSA-N -1 0 397.431 3.711 20 5 GHBDRM CSc1ccc(/C=C/C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)s1 ZINC001599812879 988368594 /nfs/dbraw/zinc/36/85/94/988368594.db2.gz QKXIYKIIAZNOEW-JKNJVXJCSA-N -1 0 392.458 3.508 20 5 GHBDRM C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1OC(F)F ZINC001599840577 988820018 /nfs/dbraw/zinc/82/00/18/988820018.db2.gz QENDQVZIIPMPCX-MRVPVSSYSA-N -1 0 398.293 3.525 20 5 GHBDRM CC(C)(C)OC(=O)Nc1cccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC001590318303 989747273 /nfs/dbraw/zinc/74/72/73/989747273.db2.gz ADVAVBVHWSQJFI-UHFFFAOYSA-N -1 0 388.380 3.647 20 5 GHBDRM O=[N+]([O-])c1ccccc1[C@@H](Oc1nc2ncnc-2c(S)[n-]1)c1ccccc1 ZINC001226783121 1032125834 /nfs/dbraw/zinc/12/58/34/1032125834.db2.gz VOOAWVPXCIGPLD-HNNXBMFYSA-N -1 0 379.401 3.718 20 5 GHBDRM 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C[C@]1(C(=O)[O-])CCCN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])C1 ZINC001593778861 996487833 /nfs/dbraw/zinc/48/78/33/996487833.db2.gz OWGQKOFXJZBKJH-INIZCTEOSA-N -1 0 394.225 3.597 20 5 GHBDRM COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(C(=O)[O-])c1 ZINC001598952280 998176714 /nfs/dbraw/zinc/17/67/14/998176714.db2.gz YZBGCKVHFHZHCP-UHFFFAOYSA-N -1 0 385.250 3.891 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1CNc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001599462033 998289944 /nfs/dbraw/zinc/28/99/44/998289944.db2.gz HQNVDRUOSOORRK-UHFFFAOYSA-N -1 0 382.372 3.832 20 5 GHBDRM COc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3C)no2)cc1 ZINC001599467692 998391963 /nfs/dbraw/zinc/39/19/63/998391963.db2.gz ONCNXGTXFMWWOJ-UHFFFAOYSA-N -1 0 397.343 3.517 20 5 GHBDRM COc1ccc(Cl)cc1[C@@H](O)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001599579888 998511162 /nfs/dbraw/zinc/51/11/62/998511162.db2.gz ZUORCGLJKNWIFX-SEJWUHKESA-N -1 0 392.795 3.500 20 5 GHBDRM O=c1nc2ncsc2c(O[C@@H](c2ccccc2)c2ccccc2[N+](=O)[O-])[n-]1 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Cc1sc(S(=O)(=O)[N-]c2ccn([C@H](C)c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000613455599 836415627 /nfs/dbraw/zinc/41/56/27/836415627.db2.gz SSFJPNFSQZLWEA-LLVKDONJSA-N -1 0 392.462 3.571 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cc(F)cc(Cl)c3)n[nH]2)c1 ZINC000535894728 836592229 /nfs/dbraw/zinc/59/22/29/836592229.db2.gz HJZMXQPRKFQSFC-UHFFFAOYSA-N -1 0 396.787 3.578 20 5 GHBDRM CC[C@@H](C)n1ncc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1C1CC1 ZINC000543976004 844204095 /nfs/dbraw/zinc/20/40/95/844204095.db2.gz YSJVLQJGHOSXHK-SECBINFHSA-N -1 0 384.483 3.848 20 5 GHBDRM COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000161589296 836887416 /nfs/dbraw/zinc/88/74/16/836887416.db2.gz KXJJCLHMAYJRQM-UHFFFAOYSA-N -1 0 394.302 3.562 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cnc(-c2ccccn2)s1 ZINC000186065895 837034420 /nfs/dbraw/zinc/03/44/20/837034420.db2.gz WZHDUVDEMRZBFD-UHFFFAOYSA-N -1 0 376.781 3.725 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000377778895 837957445 /nfs/dbraw/zinc/95/74/45/837957445.db2.gz KYUGCWIXUKTCJU-GOSISDBHSA-N -1 0 390.823 3.540 20 5 GHBDRM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cc(C2CC2)ccn1 ZINC000414451911 838277776 /nfs/dbraw/zinc/27/77/76/838277776.db2.gz LFNKPITWALJVMM-UHFFFAOYSA-N -1 0 387.339 3.687 20 5 GHBDRM O=C([O-])CCc1cccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000467952325 844309895 /nfs/dbraw/zinc/30/98/95/844309895.db2.gz CKYAHGSYOKYHKW-UHFFFAOYSA-N -1 0 397.412 3.988 20 5 GHBDRM Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000189720296 838387096 /nfs/dbraw/zinc/38/70/96/838387096.db2.gz ZFQYOUACOZQILA-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000541305157 838860115 /nfs/dbraw/zinc/86/01/15/838860115.db2.gz LFZISTJQHYYNGD-GFCCVEGCSA-N -1 0 392.433 3.536 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OCC(F)(F)F ZINC000014205621 839182881 /nfs/dbraw/zinc/18/28/81/839182881.db2.gz DWDWEQDKRXWEHO-UHFFFAOYSA-N -1 0 390.339 3.645 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(Cl)cc1 ZINC000566671385 840151148 /nfs/dbraw/zinc/15/11/48/840151148.db2.gz PMTSGJNLBHRXNS-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n(C(C)(C)C)n1 ZINC000581050497 840646935 /nfs/dbraw/zinc/64/69/35/840646935.db2.gz BCXSOZBMLQYODA-UHFFFAOYSA-N -1 0 380.470 3.645 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000432205466 841147138 /nfs/dbraw/zinc/14/71/38/841147138.db2.gz ZBLZIWNNUIRQIO-UHFFFAOYSA-N -1 0 387.417 3.977 20 5 GHBDRM Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000106724177 842211699 /nfs/dbraw/zinc/21/16/99/842211699.db2.gz PFNCPDAEIUZHGF-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000182132512 842943478 /nfs/dbraw/zinc/94/34/78/842943478.db2.gz QYJFMKXZGBSXHM-LBPRGKRZSA-N -1 0 387.461 3.656 20 5 GHBDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000581980961 843357399 /nfs/dbraw/zinc/35/73/99/843357399.db2.gz BRAMUURIQIXMCL-RDTXWAMCSA-N -1 0 385.420 3.903 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000150830101 843532405 /nfs/dbraw/zinc/53/24/05/843532405.db2.gz WENBZBHDIJCFFR-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM Cc1cc(C)n(-c2ccc([C@@H](C)Nc3nc(C)cc(C(=O)[O-])c3[N+](=O)[O-])cc2)n1 ZINC000572605506 843875510 /nfs/dbraw/zinc/87/55/10/843875510.db2.gz MQNKUKJLGMYQIX-CQSZACIVSA-N -1 0 395.419 3.972 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccnc1Oc1ccccc1 ZINC000603980426 861498862 /nfs/dbraw/zinc/49/88/62/861498862.db2.gz YYSYNAMXBHULRN-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM COc1cc(Br)ccc1/C=C/c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000513443361 845454135 /nfs/dbraw/zinc/45/41/35/845454135.db2.gz NVBQTIOILRVLMH-HWKANZROSA-N -1 0 379.166 3.630 20 5 GHBDRM CCc1ccc(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000263016370 845771537 /nfs/dbraw/zinc/77/15/37/845771537.db2.gz NLHYASZFVKZABY-UHFFFAOYSA-N -1 0 396.443 3.950 20 5 GHBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000263358400 846183986 /nfs/dbraw/zinc/18/39/86/846183986.db2.gz RLEZHAFAFZVSAN-ZIAGYGMSSA-N -1 0 384.388 3.570 20 5 GHBDRM CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)cc1 ZINC000604035549 861653154 /nfs/dbraw/zinc/65/31/54/861653154.db2.gz XNRUKZZVUGHXOD-UHFFFAOYSA-N -1 0 394.387 3.826 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2ccccc2)ccc1[O-] ZINC000604091932 861760608 /nfs/dbraw/zinc/76/06/08/861760608.db2.gz XZDWWZCMLTZEPQ-SFHVURJKSA-N -1 0 398.440 3.563 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(Oc2ccccc2Cl)CC1 ZINC000158278831 847182836 /nfs/dbraw/zinc/18/28/36/847182836.db2.gz PQDPJQNBWHPODX-UHFFFAOYSA-N -1 0 376.796 3.637 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(F)c1 ZINC000479127675 847489151 /nfs/dbraw/zinc/48/91/51/847489151.db2.gz DPNLQZKUAZAEHZ-UHFFFAOYSA-N -1 0 394.302 3.562 20 5 GHBDRM O=C(Cc1c(F)ccc(Br)c1F)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000503523260 847767303 /nfs/dbraw/zinc/76/73/03/847767303.db2.gz GPAVVAIWBOWIOW-UHFFFAOYSA-N -1 0 387.136 3.522 20 5 GHBDRM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])c2)n1 ZINC000158615168 847768528 /nfs/dbraw/zinc/76/85/28/847768528.db2.gz UVHAOPVTMMHALA-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000128068271 847993512 /nfs/dbraw/zinc/99/35/12/847993512.db2.gz XVQUQKGPKMOIPM-LBPRGKRZSA-N -1 0 387.461 3.656 20 5 GHBDRM CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000132362193 862032460 /nfs/dbraw/zinc/03/24/60/862032460.db2.gz SBIJESHHQBBHLB-UHFFFAOYSA-N -1 0 398.394 3.534 20 5 GHBDRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)oc1C ZINC000604284669 862033651 /nfs/dbraw/zinc/03/36/51/862033651.db2.gz GSIJMJIDJNNXGZ-UHFFFAOYSA-N -1 0 387.417 3.976 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cl)c(OC(F)F)c1 ZINC000504045501 849854880 /nfs/dbraw/zinc/85/48/80/849854880.db2.gz WEVZCASZKYGLAG-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000766042629 862100262 /nfs/dbraw/zinc/10/02/62/862100262.db2.gz LSUSVOXXVHPPBD-UHFFFAOYSA-N -1 0 379.394 3.537 20 5 GHBDRM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000504986341 850508476 /nfs/dbraw/zinc/50/84/76/850508476.db2.gz MQCKAUCHRMLGJS-UHFFFAOYSA-N -1 0 397.840 3.644 20 5 GHBDRM O=C([O-])c1cc(N2CCO[C@H](c3ccccc3C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000514939507 850511696 /nfs/dbraw/zinc/51/16/96/850511696.db2.gz NRGRLGUBDWCWNY-INIZCTEOSA-N -1 0 396.321 3.890 20 5 GHBDRM CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000515440022 851018933 /nfs/dbraw/zinc/01/89/33/851018933.db2.gz JXGUFABIPALDKL-UHFFFAOYSA-N -1 0 390.248 3.768 20 5 GHBDRM O=C([O-])c1cc(/C=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)nc2ccccc21 ZINC000604434094 862203432 /nfs/dbraw/zinc/20/34/32/862203432.db2.gz MGVBEUMAHZHEEA-WAYWQWQTSA-N -1 0 378.340 3.783 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2coc(C)n2)cc1 ZINC000604470771 862212611 /nfs/dbraw/zinc/21/26/11/862212611.db2.gz RLTKSBRGENFDRJ-UHFFFAOYSA-N -1 0 387.417 3.921 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2CCC(F)(F)F)ccc1[O-] ZINC000132769464 862255991 /nfs/dbraw/zinc/25/59/91/862255991.db2.gz OVFISZDFNHMLCY-UHFFFAOYSA-N -1 0 390.339 3.596 20 5 GHBDRM O=C(Nc1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436616666 852116773 /nfs/dbraw/zinc/11/67/73/852116773.db2.gz KJWKYPZVMPCLCV-UHFFFAOYSA-N -1 0 394.174 3.645 20 5 GHBDRM CCC(=O)c1ccc([O-])c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000436652779 852142418 /nfs/dbraw/zinc/14/24/18/852142418.db2.gz QUWGOTLZNYFAJI-UHFFFAOYSA-N -1 0 397.431 3.748 20 5 GHBDRM CC(=O)c1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 ZINC000436729497 852270833 /nfs/dbraw/zinc/27/08/33/852270833.db2.gz GXEODBJEBGMAGN-UHFFFAOYSA-N -1 0 393.193 3.826 20 5 GHBDRM CN(Cc1cc(Br)ccc1Cl)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436813641 852374331 /nfs/dbraw/zinc/37/43/31/852374331.db2.gz FHIMMEKSCBIMFS-UHFFFAOYSA-N -1 0 399.628 3.989 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000436845940 852410777 /nfs/dbraw/zinc/41/07/77/852410777.db2.gz KYCYFWHEMPWMEP-AWEZNQCLSA-N -1 0 378.837 3.961 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000436938466 852521824 /nfs/dbraw/zinc/52/18/24/852521824.db2.gz LMLRMOXYEHMXMX-UHFFFAOYSA-N -1 0 376.359 3.674 20 5 GHBDRM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436967293 852537988 /nfs/dbraw/zinc/53/79/88/852537988.db2.gz QMELGVQXTRHRTR-CYBMUJFWSA-N -1 0 392.795 3.764 20 5 GHBDRM Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436969097 852540019 /nfs/dbraw/zinc/54/00/19/852540019.db2.gz XFEYUHZERFCBTF-UHFFFAOYSA-N -1 0 397.431 3.924 20 5 GHBDRM COc1ccc(CCC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)cc1 ZINC000436952115 852541546 /nfs/dbraw/zinc/54/15/46/852541546.db2.gz UWMHDGACCVZUIL-UHFFFAOYSA-N -1 0 384.432 3.794 20 5 GHBDRM O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436972303 852553632 /nfs/dbraw/zinc/55/36/32/852553632.db2.gz NNILYKGVTCYXNE-UHFFFAOYSA-N -1 0 390.245 3.756 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000436990407 852578585 /nfs/dbraw/zinc/57/85/85/852578585.db2.gz ROLJADWXLQPPGP-UHFFFAOYSA-N -1 0 382.416 3.820 20 5 GHBDRM O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505931231 852631327 /nfs/dbraw/zinc/63/13/27/852631327.db2.gz WYAOMZYTQGWIRO-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507285909 852754458 /nfs/dbraw/zinc/75/44/58/852754458.db2.gz VSYQLXRZUYGSLR-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM CC[C@H](c1nnc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)s1)c1ccccc1 ZINC000506334562 852776357 /nfs/dbraw/zinc/77/63/57/852776357.db2.gz YUZQBRAFXYNBFU-HNNXBMFYSA-N -1 0 384.417 3.946 20 5 GHBDRM Cc1cc([C@@H](NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])ccc1F ZINC000519803630 853498351 /nfs/dbraw/zinc/49/83/51/853498351.db2.gz QQQGFONFCOLPIQ-SJKOYZFVSA-N -1 0 389.383 3.537 20 5 GHBDRM Cc1c(Cl)cccc1N1CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000586825601 853571212 /nfs/dbraw/zinc/57/12/12/853571212.db2.gz MIABCBIQZIFUQA-UHFFFAOYSA-N -1 0 389.839 3.615 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1CCCc2ccccc21 ZINC000518660577 853620955 /nfs/dbraw/zinc/62/09/55/853620955.db2.gz YELSAMGAXAOQKX-ZDUSSCGKSA-N -1 0 380.853 3.647 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(NC(=O)CC(C)C)cc1 ZINC000055581649 854012715 /nfs/dbraw/zinc/01/27/15/854012715.db2.gz DUULKXVLXJNOHR-UHFFFAOYSA-N -1 0 391.449 3.689 20 5 GHBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C2CC2)cc1[N+](=O)[O-] ZINC000588853900 854552603 /nfs/dbraw/zinc/55/26/03/854552603.db2.gz ZNEVZAIYBUGMTB-UHFFFAOYSA-N -1 0 392.481 3.742 20 5 GHBDRM O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1cccc([O-])c1[N+](=O)[O-] ZINC000553608350 855145196 /nfs/dbraw/zinc/14/51/96/855145196.db2.gz WEMYBPQCBFAUPL-CQSZACIVSA-N -1 0 378.331 3.709 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N(CCc1ccccc1)Cc1cccnc1 ZINC000184739943 855699006 /nfs/dbraw/zinc/69/90/06/855699006.db2.gz JHCREWZMQDJTKS-UHFFFAOYSA-N -1 0 377.400 3.581 20 5 GHBDRM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C1 ZINC000171345936 856097832 /nfs/dbraw/zinc/09/78/32/856097832.db2.gz IJQBIUHSVOWMFU-UHFFFAOYSA-N -1 0 395.868 3.775 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)c1C ZINC000536461060 856117832 /nfs/dbraw/zinc/11/78/32/856117832.db2.gz YQBVRKSDLNCOSL-UHFFFAOYSA-N -1 0 397.456 3.998 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc2cccnc21 ZINC000427654133 856463087 /nfs/dbraw/zinc/46/30/87/856463087.db2.gz AUNDGXADIZKMIC-UHFFFAOYSA-N -1 0 387.417 3.569 20 5 GHBDRM CC(C)[C@@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000573923155 856618762 /nfs/dbraw/zinc/61/87/62/856618762.db2.gz HNNAOKDLWWZCIO-HXUWFJFHSA-N -1 0 385.420 3.506 20 5 GHBDRM COc1ccc(Br)cc1C1(NCc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000592137434 856699693 /nfs/dbraw/zinc/69/96/93/856699693.db2.gz ADOMQBIRJLTUGI-UHFFFAOYSA-N -1 0 393.237 3.850 20 5 GHBDRM O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427905081 856860950 /nfs/dbraw/zinc/86/09/50/856860950.db2.gz DVOQOHLKBDHXSJ-SFHVURJKSA-N -1 0 389.839 3.521 20 5 GHBDRM C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427909534 856868619 /nfs/dbraw/zinc/86/86/19/856868619.db2.gz ULLQWCLIDFEKFV-NSHDSACASA-N -1 0 393.237 3.814 20 5 GHBDRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000485750459 857044065 /nfs/dbraw/zinc/04/40/65/857044065.db2.gz IKROZPQDGXAIPH-LBPRGKRZSA-N -1 0 376.796 3.611 20 5 GHBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1Cl ZINC000508219540 857080538 /nfs/dbraw/zinc/08/05/38/857080538.db2.gz VOHSQGDTSXFBAA-UHFFFAOYSA-N -1 0 377.205 3.716 20 5 GHBDRM O=C([O-])Cc1ccc(N[C@@H]2C[C@H]2c2ccccc2OC(F)F)c([N+](=O)[O-])c1 ZINC000592979351 857147012 /nfs/dbraw/zinc/14/70/12/857147012.db2.gz XWKPHSNEQWHANM-GXTWGEPZSA-N -1 0 378.331 3.791 20 5 GHBDRM O=C([O-])c1cc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)ccc1[N+](=O)[O-] ZINC000574043867 857225556 /nfs/dbraw/zinc/22/55/56/857225556.db2.gz WOWQPXKZXXMHHG-INIZCTEOSA-N -1 0 396.321 3.890 20 5 GHBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=CC2=Cc3cc(Cl)cc(Cl)c3OC2)[nH]1 ZINC000486050767 857364562 /nfs/dbraw/zinc/36/45/62/857364562.db2.gz ISJMMSNIJFLQIU-UPHRSURJSA-N -1 0 382.159 3.592 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)c1 ZINC000486064785 857380320 /nfs/dbraw/zinc/38/03/20/857380320.db2.gz CFSKXQCXXKYMRU-UHFFFAOYSA-N -1 0 388.445 3.995 20 5 GHBDRM COc1ccc(Oc2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])cc2)cc1 ZINC000486099484 857426520 /nfs/dbraw/zinc/42/65/20/857426520.db2.gz CACGRZUXRFBYNI-NYYWCZLTSA-N -1 0 381.344 3.767 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)ccc1[O-] ZINC000219089742 862917682 /nfs/dbraw/zinc/91/76/82/862917682.db2.gz MQPJHCXFCQMKOC-UHFFFAOYSA-N -1 0 384.413 3.696 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c2cccnc21 ZINC000184967552 858767075 /nfs/dbraw/zinc/76/70/75/858767075.db2.gz ALVJMYXUCSVFHD-UHFFFAOYSA-N -1 0 397.334 3.963 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c2cccnc21 ZINC000184968773 858770025 /nfs/dbraw/zinc/77/00/25/858770025.db2.gz CCBBDMRBUCHHMZ-UHFFFAOYSA-N -1 0 381.772 3.736 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000483438531 859373967 /nfs/dbraw/zinc/37/39/67/859373967.db2.gz KTTYSZDHLBLBND-CQSZACIVSA-N -1 0 384.436 3.746 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccn(-c2c(F)cccc2F)n1 ZINC000543680431 859405684 /nfs/dbraw/zinc/40/56/84/859405684.db2.gz ONKFRINJJRJGPG-UHFFFAOYSA-N -1 0 394.721 3.670 20 5 GHBDRM O=C([O-])[C@H](c1cccc(Cl)c1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000520416777 881474271 /nfs/dbraw/zinc/47/42/71/881474271.db2.gz SVFNEZQPQGUXBR-SFHVURJKSA-N -1 0 390.823 3.917 20 5 GHBDRM O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000602349895 859967800 /nfs/dbraw/zinc/96/78/00/859967800.db2.gz SGJMBVAQTBFHEN-UHFFFAOYSA-N -1 0 391.355 3.878 20 5 GHBDRM CCN(Cc1cccc(Br)c1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000499855157 860031530 /nfs/dbraw/zinc/03/15/30/860031530.db2.gz FOEMOFANUXDLPW-UHFFFAOYSA-N -1 0 379.210 3.725 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CC3)ccn2)c(C(F)(F)F)c1 ZINC000555141977 860097050 /nfs/dbraw/zinc/09/70/50/860097050.db2.gz FAASUNBBODPBHM-UHFFFAOYSA-N -1 0 387.339 3.687 20 5 GHBDRM Cc1cc([C@@H]2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C2)c(O)cc1Cl ZINC000598331632 860238853 /nfs/dbraw/zinc/23/88/53/860238853.db2.gz PPXWWJAFBYJQDR-LLVKDONJSA-N -1 0 376.796 3.598 20 5 GHBDRM COc1cc(CSc2n[n-]c(=NC3CCCCC3)s2)ccc1[N+](=O)[O-] ZINC000484670992 860241630 /nfs/dbraw/zinc/24/16/30/860241630.db2.gz QPZDGZUGVAFWFQ-UHFFFAOYSA-N -1 0 380.495 3.914 20 5 GHBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(CC(C)C)[n-]s1 ZINC000598771585 860564846 /nfs/dbraw/zinc/56/48/46/860564846.db2.gz XBJHLPCQJRVLAO-UHFFFAOYSA-N -1 0 380.495 3.821 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c(Cl)c1 ZINC000392716706 860819460 /nfs/dbraw/zinc/81/94/60/860819460.db2.gz XHNKXQHBBXJECS-UHFFFAOYSA-N -1 0 396.730 3.773 20 5 GHBDRM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1csc2ccccc21 ZINC000730018978 860840954 /nfs/dbraw/zinc/84/09/54/860840954.db2.gz YMCQLTHKCAJFHR-SNVBAGLBSA-N -1 0 380.422 3.988 20 5 GHBDRM CC(C)(C)c1nnc([N-]C(=O)c2c(Br)cccc2[N+](=O)[O-])s1 ZINC000599142744 860850719 /nfs/dbraw/zinc/85/07/19/860850719.db2.gz KJVLBDHDAGGYGH-UHFFFAOYSA-N -1 0 385.243 3.759 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ncc(-c2ccccc2)s1 ZINC000603631134 860936940 /nfs/dbraw/zinc/93/69/40/860936940.db2.gz FREVISFIFUXACK-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCO[C@H](c3c(F)cccc3Cl)C2)c1 ZINC000593739574 861121901 /nfs/dbraw/zinc/12/19/01/861121901.db2.gz BNBZYYPHTMMWBB-INIZCTEOSA-N -1 0 394.786 3.659 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000159929488 863163939 /nfs/dbraw/zinc/16/39/39/863163939.db2.gz GEABZYJVOFXZBR-UHFFFAOYSA-N -1 0 396.475 3.592 20 5 GHBDRM COc1cc(CNc2ccc(C(=O)Nc3cccnc3)cc2)cc([N+](=O)[O-])c1[O-] ZINC000428322140 863171912 /nfs/dbraw/zinc/17/19/12/863171912.db2.gz CUCHYLKSOUPDHQ-UHFFFAOYSA-N -1 0 394.387 3.568 20 5 GHBDRM CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000734079906 863983024 /nfs/dbraw/zinc/98/30/24/863983024.db2.gz GCOGEWWAYPCUKG-OAHLLOKOSA-N -1 0 382.482 3.705 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1C ZINC000609027484 865904773 /nfs/dbraw/zinc/90/47/73/865904773.db2.gz UJKMBEVENOLUFI-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000444533829 866845507 /nfs/dbraw/zinc/84/55/07/866845507.db2.gz DVMWXYGZFKKIOT-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM Cc1cc(C)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000742231353 867145991 /nfs/dbraw/zinc/14/59/91/867145991.db2.gz ASPKXHSTRPTERC-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM O=C(CCCC1CCCCC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000920333574 882052980 /nfs/dbraw/zinc/05/29/80/882052980.db2.gz QLSQSFNLIQHZKV-UHFFFAOYSA-N -1 0 388.873 3.804 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC(Cc2cccc(F)c2F)CC1 ZINC000456813351 867173609 /nfs/dbraw/zinc/17/36/09/867173609.db2.gz SNYWMSSIXIPEGU-UHFFFAOYSA-N -1 0 376.359 3.674 20 5 GHBDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C1CC1 ZINC000534971226 867850913 /nfs/dbraw/zinc/85/09/13/867850913.db2.gz BANXCQSRUNAQMH-LLVKDONJSA-N -1 0 378.454 3.749 20 5 GHBDRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000744012693 868544859 /nfs/dbraw/zinc/54/48/59/868544859.db2.gz PPDCEUCDKAKOOD-NSHDSACASA-N -1 0 390.889 3.968 20 5 GHBDRM CCc1c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1cccc(Cl)c1 ZINC000183909280 868615472 /nfs/dbraw/zinc/61/54/72/868615472.db2.gz TVSZFZUXWMDBAY-UHFFFAOYSA-N -1 0 386.795 3.954 20 5 GHBDRM O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183911081 868615921 /nfs/dbraw/zinc/61/59/21/868615921.db2.gz OWYOOXSLHSZZGC-UHFFFAOYSA-N -1 0 388.767 3.575 20 5 GHBDRM COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc(Cl)c([O-])c(OC)c3)n2)c1 ZINC000445577113 868694310 /nfs/dbraw/zinc/69/43/10/868694310.db2.gz ZXABJKXSHXQMFQ-UHFFFAOYSA-N -1 0 391.767 3.612 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2noc(=N[C@H]3CCCc4cn(C5CCCC5)nc43)[n-]2)cc1 ZINC000445602767 868700776 /nfs/dbraw/zinc/70/07/76/868700776.db2.gz XGZMGPCDEWKTNO-KRWDZBQOSA-N -1 0 394.435 3.868 20 5 GHBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(SC(F)F)c1 ZINC000766321360 868970501 /nfs/dbraw/zinc/97/05/01/868970501.db2.gz MNRXQSWKGAWEDH-UHFFFAOYSA-N -1 0 390.389 3.724 20 5 GHBDRM COCc1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c(-c2ccccc2)s1 ZINC000442858972 868975563 /nfs/dbraw/zinc/97/55/63/868975563.db2.gz WDFNMOOZBIRANC-UHFFFAOYSA-N -1 0 399.428 3.500 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1C ZINC000122215887 869073213 /nfs/dbraw/zinc/07/32/13/869073213.db2.gz JIPBQRXOZORUCH-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM Cc1nc(C(F)(F)F)sc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000462596020 869731642 /nfs/dbraw/zinc/73/16/42/869731642.db2.gz VQPUVUPUYWSIMH-UHFFFAOYSA-N -1 0 381.719 3.990 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)ccc1F ZINC000191001218 882337593 /nfs/dbraw/zinc/33/75/93/882337593.db2.gz ATCZTOGJEUDLDO-UHFFFAOYSA-N -1 0 394.302 3.562 20 5 GHBDRM O=C(Nc1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000463175060 871040472 /nfs/dbraw/zinc/04/04/72/871040472.db2.gz VOVIVFYURPOCGN-UHFFFAOYSA-N -1 0 394.174 3.645 20 5 GHBDRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000609321506 882481612 /nfs/dbraw/zinc/48/16/12/882481612.db2.gz BFYLMXZOIKIEKS-UHFFFAOYSA-N -1 0 388.449 3.772 20 5 GHBDRM O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1cccc([O-])c1[N+](=O)[O-] ZINC000428478126 871471353 /nfs/dbraw/zinc/47/13/53/871471353.db2.gz HKGBIPBKYZMOHG-AULYBMBSSA-N -1 0 391.221 3.739 20 5 GHBDRM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000462161367 871714490 /nfs/dbraw/zinc/71/44/90/871714490.db2.gz CQNVHXFHPAHQPQ-SSDOTTSWSA-N -1 0 396.277 3.706 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c2ncccc12 ZINC000463527251 871942165 /nfs/dbraw/zinc/94/21/65/871942165.db2.gz RLBFGWMFLUHNLV-UHFFFAOYSA-N -1 0 397.334 3.963 20 5 GHBDRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463518732 871966709 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ZINC000795676421 912314880 /nfs/dbraw/zinc/31/48/80/912314880.db2.gz LCDRXXWIIIGGTN-UHFFFAOYSA-N -1 0 391.839 3.827 20 5 GHBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2nc3cc(F)c(F)cc3s2)cc1[N+](=O)[O-] ZINC000493051706 878210257 /nfs/dbraw/zinc/21/02/57/878210257.db2.gz KZBIYMFSIXJPIT-UHFFFAOYSA-N -1 0 399.400 3.900 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1C(F)(F)F ZINC000537753493 878241971 /nfs/dbraw/zinc/24/19/71/878241971.db2.gz TXQGQZFXLFMBJO-UHFFFAOYSA-N -1 0 382.266 3.693 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2scnc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000537999627 878690545 /nfs/dbraw/zinc/69/05/45/878690545.db2.gz DDRCDODRAAFZFK-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)c1ccccc1SC(C)C ZINC000789489499 879010750 /nfs/dbraw/zinc/01/07/50/879010750.db2.gz PDISKOSSQHWNMZ-UHFFFAOYSA-N -1 0 394.474 3.522 20 5 GHBDRM O=C([O-])c1cc(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc2c1OCCO2 ZINC000789904257 879350488 /nfs/dbraw/zinc/35/04/88/879350488.db2.gz 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COc1cc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)ccc1[N+](=O)[O-] ZINC000475826462 884513612 /nfs/dbraw/zinc/51/36/12/884513612.db2.gz CIPGOVBPBOWMSR-UHFFFAOYSA-N -1 0 399.428 3.775 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000176579755 884793911 /nfs/dbraw/zinc/79/39/11/884793911.db2.gz NGHYSNLWEWBNHO-UHFFFAOYSA-N -1 0 395.746 3.771 20 5 GHBDRM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccco2)n1 ZINC000191461035 885033470 /nfs/dbraw/zinc/03/34/70/885033470.db2.gz AHRAWZCGOXBLRP-UHFFFAOYSA-N -1 0 394.343 3.634 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1nnc(CC2CCCCC2)o1 ZINC000194894442 885468327 /nfs/dbraw/zinc/46/83/27/885468327.db2.gz RYVXMAGHSYPJLQ-UHFFFAOYSA-N -1 0 394.453 3.518 20 5 GHBDRM CCc1cccc(C)c1N=c1[n-]nc(SCc2c([N+](=O)[O-])ncn2C)s1 ZINC000476478116 886011962 /nfs/dbraw/zinc/01/19/62/886011962.db2.gz BHGIENGXNSYBIK-UHFFFAOYSA-N -1 0 390.494 3.508 20 5 GHBDRM O=C([O-])/C=C/c1ccc(NCC2(c3ccccc3)CCOCC2)c([N+](=O)[O-])c1 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20 5 GHBDRM CCCOc1cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OCCC ZINC001595952807 983131209 /nfs/dbraw/zinc/13/12/09/983131209.db2.gz WMEGTFVPEDYXFB-QWHCGFSZSA-N -1 0 394.424 3.612 20 5 GHBDRM CCCOc1cc(F)ccc1NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001595953021 983132687 /nfs/dbraw/zinc/13/26/87/983132687.db2.gz YXWVQDHCWGYVOW-UHFFFAOYSA-N -1 0 378.356 3.598 20 5 GHBDRM CCNc1ccc(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)cc1[N+](=O)[O-] ZINC001596501455 984255339 /nfs/dbraw/zinc/25/53/39/984255339.db2.gz VMEKMWSQQYYHPG-INIZCTEOSA-N -1 0 397.431 3.575 20 5 GHBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC001589000905 984942743 /nfs/dbraw/zinc/94/27/43/984942743.db2.gz FRNKIDUJSWKINN-FDPSAONLSA-N -1 0 382.416 3.590 20 5 GHBDRM CCOC(=O)c1ccc(Sc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c(F)c1 ZINC001596729948 984992806 /nfs/dbraw/zinc/99/28/06/984992806.db2.gz YONLWJBCOMUHFA-UHFFFAOYSA-N -1 0 379.365 3.689 20 5 GHBDRM 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Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3F)n[nH]2)s1 ZINC000754837502 1022923619 /nfs/dbraw/zinc/92/36/19/1022923619.db2.gz AOFIIHLQYIBFEZ-UHFFFAOYSA-N -1 0 396.425 3.603 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000755011212 1023018815 /nfs/dbraw/zinc/01/88/15/1023018815.db2.gz JIBFZNDOVGZOBF-CQSZACIVSA-N -1 0 376.796 3.637 20 5 GHBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])C1(Cc2ccc(F)cc2)CCOCC1 ZINC000837745568 1024675425 /nfs/dbraw/zinc/67/54/25/1024675425.db2.gz ZTJJYWZKWUDZEH-UHFFFAOYSA-N -1 0 389.379 3.522 20 5 GHBDRM CC[C@H]1CCCC[C@H]1NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001141540506 1025436317 /nfs/dbraw/zinc/43/63/17/1025436317.db2.gz PAOFGDLUPDCYLM-WCQYABFASA-N -1 0 392.843 3.838 20 5 GHBDRM CCC(C)(C)c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001211164915 1027817315 /nfs/dbraw/zinc/81/73/15/1027817315.db2.gz FPXVPFMSEFOTAJ-UHFFFAOYSA-N -1 0 380.441 3.900 20 5 GHBDRM Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC000841501654 1028702519 /nfs/dbraw/zinc/70/25/19/1028702519.db2.gz OHLAOPNMMKFURO-UHFFFAOYSA-N -1 0 383.404 3.844 20 5 GHBDRM COc1cc(-c2noc(-c3cc([N+](=O)[O-])ccc3[O-])n2)ccc1-n1cnc(C)c1 ZINC001215379863 1029181670 /nfs/dbraw/zinc/18/16/70/1029181670.db2.gz BYUDRCQHYWTIOT-UHFFFAOYSA-N -1 0 393.359 3.520 20 5 GHBDRM CC(C)(C)c1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])n[nH]2)cc1 ZINC001142839371 1029559130 /nfs/dbraw/zinc/55/91/30/1029559130.db2.gz JGXMWPHNGOXKAD-UHFFFAOYSA-N -1 0 381.392 3.635 20 5 GHBDRM COc1cc([N+](=O)[O-])c(-c2nc(-c3ccc(OC(F)F)cc3)no2)cc1[O-] ZINC001216343710 1029609471 /nfs/dbraw/zinc/60/94/71/1029609471.db2.gz RROQMWJZAIWVKZ-UHFFFAOYSA-N -1 0 379.275 3.627 20 5 GHBDRM Cc1ccc(-c2nc(-c3ccc(Br)c(C)n3)no2)c([N+](=O)[O-])c1[O-] ZINC001216856918 1029967011 /nfs/dbraw/zinc/96/70/11/1029967011.db2.gz UQYINOJQRZTNOZ-UHFFFAOYSA-N -1 0 391.181 3.792 20 5 GHBDRM O=c1cc(-c2nc(-c3cccc(F)c3Cl)no2)[n-]c2ccc([N+](=O)[O-])cc12 ZINC001217510273 1030452961 /nfs/dbraw/zinc/45/29/61/1030452961.db2.gz ZVKIBZMOLOCJHG-UHFFFAOYSA-N -1 0 386.726 3.946 20 5 GHBDRM COc1c(C)cc(-c2noc(-c3cc(=O)c4cc([N+](=O)[O-])ccc4[n-]3)n2)cc1C ZINC001217512760 1030454604 /nfs/dbraw/zinc/45/46/04/1030454604.db2.gz SGDYIWVSLICYBH-UHFFFAOYSA-N -1 0 392.371 3.779 20 5 GHBDRM O=C(COc1ccc(F)c(Cl)c1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001152449308 1031247900 /nfs/dbraw/zinc/24/79/00/1031247900.db2.gz WHQDNNXASBNUCN-UHFFFAOYSA-N -1 0 375.139 3.764 20 5 GHBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@H](C)c2cc3ccccc3s2)c1[N+](=O)[O-] ZINC001226019225 1031742381 /nfs/dbraw/zinc/74/23/81/1031742381.db2.gz WPJRAIBSCALPKS-SECBINFHSA-N -1 0 389.389 3.622 20 5 GHBDRM COc1ccc(-c2cc(=O)c3c(O[C@H](C[N+](=O)[O-])C4CC4)cc([O-])cc3o2)cc1 ZINC001229578436 1033568826 /nfs/dbraw/zinc/56/88/26/1033568826.db2.gz YYZUFJGXBNRVFQ-HXUWFJFHSA-N -1 0 397.383 3.608 20 5 GHBDRM CCOC(=O)N1CCC[C@H](Oc2ccc3c(c2)oc(=O)c2cc([O-])ccc32)C1 ZINC001229798187 1033722926 /nfs/dbraw/zinc/72/29/26/1033722926.db2.gz UDJPTFGOINJEEL-HNNXBMFYSA-N -1 0 383.400 3.652 20 5 GHBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001209428109 1035272779 /nfs/dbraw/zinc/27/27/79/1035272779.db2.gz DCLJYAOZVJMVKQ-INIZCTEOSA-N -1 0 395.868 3.853 20 5 GHBDRM O=[N+]([O-])c1cc(Cc2nnc(-c3cccc(Br)c3)o2)ccc1[O-] ZINC001253184228 1039465094 /nfs/dbraw/zinc/46/50/94/1039465094.db2.gz RQLCXKPTPTYGJJ-UHFFFAOYSA-N -1 0 376.166 3.704 20 5 GHBDRM CC(C)=CCc1c([O-])cc(O[C@H](C)CON)c2c(=O)c3cccc(O)c3oc12 ZINC001234742327 1040267829 /nfs/dbraw/zinc/26/78/29/1040267829.db2.gz XDVFUYJATUWQTB-GFCCVEGCSA-N -1 0 385.416 3.524 20 5 GHBDRM COc1ccc([C@H](C)Oc2cc(O)cc3oc4ccc(O)cc4c(=O)c23)cn1 ZINC001234744365 1040270871 /nfs/dbraw/zinc/27/08/71/1040270871.db2.gz LNIMKSRBSUZDSA-NSHDSACASA-N -1 0 379.368 3.901 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nnc(-c3cc(F)cc(Br)c3)o2)c([O-])c1 ZINC001255966252 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O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000584416081 834557196 /nfs/dbraw/zinc/55/71/96/834557196.db2.gz LOZPANOHRICWFR-UHFFFAOYSA-N -1 0 392.367 3.549 20 5 GHBDRM Cc1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])c([O-])c3)NC2=S)cc1Cl ZINC000255667977 835503751 /nfs/dbraw/zinc/50/37/51/835503751.db2.gz FEKIBTMTTCACQS-AWNIVKPZSA-N -1 0 389.820 3.524 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000433383003 844093439 /nfs/dbraw/zinc/09/34/39/844093439.db2.gz GRYBTUGQJHRAAT-UHFFFAOYSA-N -1 0 394.265 3.622 20 5 GHBDRM COc1ccc([C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000612523836 836355294 /nfs/dbraw/zinc/35/52/94/836355294.db2.gz IRDIWDXJIMMQBY-HXUWFJFHSA-N -1 0 378.384 3.828 20 5 GHBDRM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c1 ZINC000547822287 837104515 /nfs/dbraw/zinc/10/45/15/837104515.db2.gz GMXKRLXURKVJKP-UHFFFAOYSA-N -1 0 396.222 3.639 20 5 GHBDRM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])cc2)o1 ZINC000189243019 838248998 /nfs/dbraw/zinc/24/89/98/838248998.db2.gz UFDNFNWNSLWJRD-UHFFFAOYSA-N -1 0 387.417 3.976 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(-n2ccnc2)c(Cl)c1 ZINC000102907596 838266023 /nfs/dbraw/zinc/26/60/23/838266023.db2.gz UZVLGJMWVHIFEW-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM CCc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)onc1C(F)(F)F ZINC000414459352 838348580 /nfs/dbraw/zinc/34/85/80/838348580.db2.gz ZNAYDFZOHRCYOK-UHFFFAOYSA-N -1 0 393.343 3.527 20 5 GHBDRM CN(c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000610336015 838534944 /nfs/dbraw/zinc/53/49/44/838534944.db2.gz KHEQWZOVWFPSNK-UHFFFAOYSA-N -1 0 384.413 3.793 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)ccc1[N+](=O)[O-] ZINC000389212545 838774638 /nfs/dbraw/zinc/77/46/38/838774638.db2.gz CFQRAJXTFXSSRJ-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3[N+](=O)[O-])cc2)s1 ZINC000066808945 839018983 /nfs/dbraw/zinc/01/89/83/839018983.db2.gz 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Cc1cccc2sc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)nc21 ZINC000610481851 840762840 /nfs/dbraw/zinc/76/28/40/840762840.db2.gz XSNNFQVSJHNMNL-UHFFFAOYSA-N -1 0 377.447 3.931 20 5 GHBDRM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000604439410 842036204 /nfs/dbraw/zinc/03/62/04/842036204.db2.gz KOCHYZWYWKJGBX-UHFFFAOYSA-N -1 0 384.841 3.974 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ncc(-c2ccc(F)cc2)s1 ZINC000432369112 842225888 /nfs/dbraw/zinc/22/58/88/842225888.db2.gz PDPZYTLQDDGPEP-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM COC1(CNC(=O)c2cccc([O-])c2[N+](=O)[O-])CCC(c2ccccc2)CC1 ZINC000561659232 842786664 /nfs/dbraw/zinc/78/66/64/842786664.db2.gz YEJKFPNSFLUXFE-UHFFFAOYSA-N -1 0 384.432 3.773 20 5 GHBDRM Cc1sc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)nc1C(C)C ZINC000521069901 842793068 /nfs/dbraw/zinc/79/30/68/842793068.db2.gz XBDKPCWUQICKFV-UHFFFAOYSA-N -1 0 392.462 3.832 20 5 GHBDRM O=C(NCc1cccc(COCc2ccccc2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000610891274 844766852 /nfs/dbraw/zinc/76/68/52/844766852.db2.gz RZQPMMUEXUBEBH-UHFFFAOYSA-N -1 0 392.411 3.947 20 5 GHBDRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1O ZINC000322156337 845179182 /nfs/dbraw/zinc/17/91/82/845179182.db2.gz GCBRHHJUXYYKIU-UHFFFAOYSA-N -1 0 377.205 3.716 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176635506 845320400 /nfs/dbraw/zinc/32/04/00/845320400.db2.gz PQBSZROGVXXVFL-UHFFFAOYSA-N -1 0 385.785 3.574 20 5 GHBDRM O=C(N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000159962877 845372797 /nfs/dbraw/zinc/37/27/97/845372797.db2.gz SOMZQCTYIOCHRD-FQEVSTJZSA-N -1 0 388.383 3.696 20 5 GHBDRM CN(c1ccccc1)c1ccc(CN=c2[n-]nc([C@H]3CCCO3)o2)cc1[N+](=O)[O-] ZINC000538592943 845531956 /nfs/dbraw/zinc/53/19/56/845531956.db2.gz KOKLYKDXWHEJHI-GOSISDBHSA-N -1 0 395.419 3.631 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ncc(C)c(-c3ccccc3)n2)c1C ZINC000433161235 845534805 /nfs/dbraw/zinc/53/48/05/845534805.db2.gz 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GHBDRM CC(C)(NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000263457480 846237029 /nfs/dbraw/zinc/23/70/29/846237029.db2.gz HUZHKQCXJURFDD-KRWDZBQOSA-N -1 0 399.447 3.605 20 5 GHBDRM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000171180465 861733716 /nfs/dbraw/zinc/73/37/16/861733716.db2.gz ASJSVFLFFOWTED-UHFFFAOYSA-N -1 0 396.222 3.639 20 5 GHBDRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000016127025 847371754 /nfs/dbraw/zinc/37/17/54/847371754.db2.gz FAMFNANWZBWEIH-UHFFFAOYSA-N -1 0 380.422 3.501 20 5 GHBDRM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Cl)ccc2SCC(F)(F)F)n1 ZINC000503420476 847685867 /nfs/dbraw/zinc/68/58/67/847685867.db2.gz KHEJAZPSYFLZFA-UHFFFAOYSA-N -1 0 394.762 3.888 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)c([N+](=O)[O-])c1 ZINC000158686999 847924293 /nfs/dbraw/zinc/92/42/93/847924293.db2.gz ADRFZMQBBFIYJP-UHFFFAOYSA-N -1 0 376.434 3.631 20 5 GHBDRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] 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O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506328496 852745618 /nfs/dbraw/zinc/74/56/18/852745618.db2.gz ARZOJGSKNNSBRP-UHFFFAOYSA-N -1 0 377.356 3.550 20 5 GHBDRM O=C(N[C@H](COc1ccccc1)c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507277771 852746844 /nfs/dbraw/zinc/74/68/44/852746844.db2.gz GVCKCDVXMXZIBX-HXUWFJFHSA-N -1 0 378.384 3.851 20 5 GHBDRM CCCCCc1nnc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 ZINC000437169281 852810437 /nfs/dbraw/zinc/81/04/37/852810437.db2.gz YSDJLWPYCTVBAY-UHFFFAOYSA-N -1 0 384.483 3.597 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000506349814 852827583 /nfs/dbraw/zinc/82/75/83/852827583.db2.gz QWBTUYDNNQJLKA-UHFFFAOYSA-N -1 0 383.379 3.941 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000438769628 852828287 /nfs/dbraw/zinc/82/82/87/852828287.db2.gz BXMJCSZYBHIBBR-UHFFFAOYSA-N -1 0 390.339 3.509 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C1CCC(c2ccccc2)CC1 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CCCc1nc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000486104438 857431989 /nfs/dbraw/zinc/43/19/89/857431989.db2.gz CLIFYEDVPNYDOM-UHFFFAOYSA-N -1 0 392.462 3.661 20 5 GHBDRM Cc1ccc(C[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000164663991 857552630 /nfs/dbraw/zinc/55/26/30/857552630.db2.gz QMVIHQFCFKSYLW-GOSISDBHSA-N -1 0 377.400 3.718 20 5 GHBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(CC(F)(F)F)cc1 ZINC000157871152 857808216 /nfs/dbraw/zinc/80/82/16/857808216.db2.gz NGNUQSGCEVDCGM-UHFFFAOYSA-N -1 0 378.303 3.640 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3F)s2)s1 ZINC000066000741 857918339 /nfs/dbraw/zinc/91/83/39/857918339.db2.gz HSYVBGBEPMQWBV-UHFFFAOYSA-N -1 0 399.450 3.644 20 5 GHBDRM CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)C(=O)[O-] ZINC000594460923 858197950 /nfs/dbraw/zinc/19/79/50/858197950.db2.gz VKHYAMROZGSUEP-OAHLLOKOSA-N -1 0 380.466 3.716 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000592767019 858222692 /nfs/dbraw/zinc/22/26/92/858222692.db2.gz MDTXYILURFXBST-LBPRGKRZSA-N -1 0 392.799 3.582 20 5 GHBDRM Cc1c(-c2cc(F)ccc2OC[C@@H]2CCCO2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000594874031 858292512 /nfs/dbraw/zinc/29/25/12/858292512.db2.gz JDDLZQYITALPCU-AWEZNQCLSA-N -1 0 375.352 3.965 20 5 GHBDRM CCCCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCc2ncsc2C1 ZINC000592901095 858367043 /nfs/dbraw/zinc/36/70/43/858367043.db2.gz IZFJQMXRVPJKPQ-ZDUSSCGKSA-N -1 0 375.450 3.557 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000595243946 858450666 /nfs/dbraw/zinc/45/06/66/858450666.db2.gz FZXGYBQQCIRKEO-OSMBCOQSSA-N -1 0 392.477 3.567 20 5 GHBDRM Cc1cc(N2CCN([C@@H](C)c3cccc(F)c3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592971835 858456881 /nfs/dbraw/zinc/45/68/81/858456881.db2.gz JVESXIMMFCCGDI-AWEZNQCLSA-N -1 0 387.411 3.624 20 5 GHBDRM COCC[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000592976231 858469293 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DMZBEBVZQULPCD-UHFFFAOYSA-N -1 0 397.840 3.624 20 5 GHBDRM O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000031809607 881356122 /nfs/dbraw/zinc/35/61/22/881356122.db2.gz KFKZJFDIGCGQGR-UHFFFAOYSA-N -1 0 377.328 3.954 20 5 GHBDRM O=C([O-])c1ccccc1OCCOc1ccc([N+](=O)[O-])cc1Br ZINC000761185308 858952378 /nfs/dbraw/zinc/95/23/78/858952378.db2.gz USDVKRCXOVYXJC-UHFFFAOYSA-N -1 0 382.166 3.513 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000483066466 859111527 /nfs/dbraw/zinc/11/15/27/859111527.db2.gz GGHLAUHXIBJACU-IHWYPQMZSA-N -1 0 397.368 3.711 20 5 GHBDRM O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000069489794 859533977 /nfs/dbraw/zinc/53/39/77/859533977.db2.gz GPLUULAKYJYVNM-UHFFFAOYSA-N -1 0 376.781 3.725 20 5 GHBDRM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])c2)n1 ZINC000161089941 859582872 /nfs/dbraw/zinc/58/28/72/859582872.db2.gz QQXNWKIAAFFVQH-UHFFFAOYSA-N -1 0 387.417 3.976 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000611488552 859782009 /nfs/dbraw/zinc/78/20/09/859782009.db2.gz VDGZBTWIHDIVPY-AWEZNQCLSA-N -1 0 384.436 3.746 20 5 GHBDRM Cc1cc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C2)c(O)cc1Cl ZINC000598332099 860240711 /nfs/dbraw/zinc/24/07/11/860240711.db2.gz RMJKOCYMDRIGLQ-NSHDSACASA-N -1 0 376.796 3.598 20 5 GHBDRM CC(C)c1noc(Cc2ccc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])cc2)n1 ZINC000552256847 860412265 /nfs/dbraw/zinc/41/22/65/860412265.db2.gz KUUBHUYPQFZGRQ-UHFFFAOYSA-N -1 0 382.376 3.650 20 5 GHBDRM Cc1noc(C)c1COc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000124951648 860538072 /nfs/dbraw/zinc/53/80/72/860538072.db2.gz QPHCAZBQCKYLBR-UHFFFAOYSA-N -1 0 383.360 3.737 20 5 GHBDRM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593739570 861122275 /nfs/dbraw/zinc/12/22/75/861122275.db2.gz BMWHKAWMIBNJHO-KPZWWZAWSA-N -1 0 390.823 3.908 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nn(C(C)C)cc2c1 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378.303 3.862 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2ccc3oc(C)c(C)c3c2)ccc1[N+](=O)[O-] ZINC000479565868 868074515 /nfs/dbraw/zinc/07/45/15/868074515.db2.gz UKHXXCYVDPHEMF-UHFFFAOYSA-N -1 0 376.390 3.767 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OC3CCCCC3)cc2)ccc1[O-] ZINC000523838064 868119107 /nfs/dbraw/zinc/11/91/07/868119107.db2.gz SVIXMKIGNHWSPO-UHFFFAOYSA-N -1 0 392.433 3.813 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3)s2)cc1[N+](=O)[O-] ZINC000524297443 868864037 /nfs/dbraw/zinc/86/40/37/868864037.db2.gz ZPYPHVJTEPZDQR-UHFFFAOYSA-N -1 0 389.458 3.751 20 5 GHBDRM COc1cc(Cc2noc(-c3ccc([O-])c(Cl)c3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445816502 869022279 /nfs/dbraw/zinc/02/22/79/869022279.db2.gz BBGGRDGKHGJUSG-UHFFFAOYSA-N -1 0 391.767 3.612 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1C ZINC000122215339 869074498 /nfs/dbraw/zinc/07/44/98/869074498.db2.gz CGCNXLGMFBOBBZ-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000539607174 869434966 /nfs/dbraw/zinc/43/49/66/869434966.db2.gz ZVVMUFFGKHBCLU-SFHVURJKSA-N -1 0 382.416 3.717 20 5 GHBDRM O=C([O-])c1ccc2c(c1)CCN2C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000761417849 869919260 /nfs/dbraw/zinc/91/92/60/869919260.db2.gz CGOMKFRLMHBUKG-UHFFFAOYSA-N -1 0 392.820 3.628 20 5 GHBDRM Cc1ccc(NCCCNC(=O)c2ccc3[n-]c(=S)oc3c2)c([N+](=O)[O-])c1 ZINC000746289152 870150344 /nfs/dbraw/zinc/15/03/44/870150344.db2.gz PSNICOMIZOKDRT-UHFFFAOYSA-N -1 0 386.433 3.565 20 5 GHBDRM O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000538645861 870250721 /nfs/dbraw/zinc/25/07/21/870250721.db2.gz HQPLASRTJCLMGT-UHFFFAOYSA-N -1 0 399.186 3.560 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(-c2ccco2)nc2ccccn21 ZINC000446729040 870274160 /nfs/dbraw/zinc/27/41/60/870274160.db2.gz RNPKCGWCCDMYBD-UHFFFAOYSA-N -1 0 398.400 3.612 20 5 GHBDRM CCOc1ccccc1N=c1[n-]nc(Sc2ncc(C)cc2[N+](=O)[O-])s1 ZINC000463054315 870762090 /nfs/dbraw/zinc/76/20/90/870762090.db2.gz QYCJWPAQNZSSNV-UHFFFAOYSA-N -1 0 389.462 3.865 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)ccc1[N+](=O)[O-] ZINC000463465262 871831787 /nfs/dbraw/zinc/83/17/87/871831787.db2.gz VWNOWUXSCLWELC-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000539383123 871868145 /nfs/dbraw/zinc/86/81/45/871868145.db2.gz XPMXDNUHAOBFRX-MRXNPFEDSA-N -1 0 389.839 3.521 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)NC2(CC(=O)[O-])CCC2)cc1[N+](=O)[O-] ZINC000540705652 871940139 /nfs/dbraw/zinc/94/01/39/871940139.db2.gz UGSVLAPXJKACMM-UHFFFAOYSA-N -1 0 380.466 3.860 20 5 GHBDRM CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cccc21 ZINC000447788188 872297730 /nfs/dbraw/zinc/29/77/30/872297730.db2.gz PQPDLUXOSWIPSO-CQSZACIVSA-N -1 0 398.824 3.519 20 5 GHBDRM CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191794066 882616806 /nfs/dbraw/zinc/61/68/06/882616806.db2.gz ZPSIBKXXTLVAJS-UHFFFAOYSA-N -1 0 397.840 3.624 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1OC1CCCC1 ZINC000619466739 872662578 /nfs/dbraw/zinc/66/25/78/872662578.db2.gz NKVFFPJHXUJCBX-UHFFFAOYSA-N -1 0 392.433 3.726 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)ccc1SC ZINC000619467260 872662617 /nfs/dbraw/zinc/66/26/17/872662617.db2.gz WQUJCYSKKMTVLY-UHFFFAOYSA-N -1 0 388.854 3.780 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1scnc1-c1ccccc1 ZINC000619507417 872693493 /nfs/dbraw/zinc/69/34/93/872693493.db2.gz QBQRWFWOVGRGCD-UHFFFAOYSA-N -1 0 391.430 3.528 20 5 GHBDRM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)c1 ZINC000443461470 872885421 /nfs/dbraw/zinc/88/54/21/872885421.db2.gz PFTCFAJGXHYLQZ-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ncc(-c3ccccc3F)s2)ccc1[N+](=O)[O-] ZINC000619856805 873094730 /nfs/dbraw/zinc/09/47/30/873094730.db2.gz VHLZVCWDMFXMNJ-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)n[nH]1 ZINC000768280678 873229296 /nfs/dbraw/zinc/22/92/96/873229296.db2.gz VGVWPJHTFWDMNA-UHFFFAOYSA-N -1 0 390.396 3.542 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1Cl ZINC000780734925 873490754 /nfs/dbraw/zinc/49/07/54/873490754.db2.gz XKIXTQSLFUJFKQ-UHFFFAOYSA-N -1 0 390.808 3.506 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1Sc1n[n-]c(=NCc2ccc(F)cc2)s1 ZINC000557484121 874239169 /nfs/dbraw/zinc/23/91/69/874239169.db2.gz DYEFJYCBNUTXFH-UHFFFAOYSA-N -1 0 380.401 3.910 20 5 GHBDRM COc1cc(CNc2cnc(Cl)c(Br)c2)cc([N+](=O)[O-])c1[O-] ZINC000769761141 874262223 /nfs/dbraw/zinc/26/22/23/874262223.db2.gz VYBSHMWXOTZWIY-UHFFFAOYSA-N -1 0 388.605 3.732 20 5 GHBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000804414496 882811496 /nfs/dbraw/zinc/81/14/96/882811496.db2.gz MKFHYXFXJZLNOC-FQEVSTJZSA-N -1 0 392.411 3.676 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ncccc1OCC(F)(F)F ZINC000541823951 874342194 /nfs/dbraw/zinc/34/21/94/874342194.db2.gz AVZNYDQEFDRAGT-UHFFFAOYSA-N -1 0 391.689 3.542 20 5 GHBDRM CC(C)(C)CC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000449137157 874509562 /nfs/dbraw/zinc/50/95/62/874509562.db2.gz XASNCNCPFGDQHF-NSHDSACASA-N -1 0 376.331 3.623 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1C(F)(F)F ZINC000770521437 874742409 /nfs/dbraw/zinc/74/24/09/874742409.db2.gz UKTLLBZZQHKNSM-UHFFFAOYSA-N -1 0 397.334 3.963 20 5 GHBDRM Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000770857013 874891713 /nfs/dbraw/zinc/89/17/13/874891713.db2.gz OYAZMOSOYUSNRD-UHFFFAOYSA-N -1 0 396.355 3.846 20 5 GHBDRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000542237126 875199771 /nfs/dbraw/zinc/19/97/71/875199771.db2.gz ZRBWSNRBOCEZCX-UHFFFAOYSA-N -1 0 378.454 3.714 20 5 GHBDRM CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000776196803 875788557 /nfs/dbraw/zinc/78/85/57/875788557.db2.gz LONLHMUYKRTVCH-BFUOFWGJSA-N -1 0 393.440 3.713 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc2c(s1)CCCCCC2 ZINC000195638830 877197943 /nfs/dbraw/zinc/19/79/43/877197943.db2.gz KKKHTTJAXVLXQM-UHFFFAOYSA-N -1 0 381.479 3.820 20 5 GHBDRM CC(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)sc2c1 ZINC000789766752 879248031 /nfs/dbraw/zinc/24/80/31/879248031.db2.gz VPPHMVVZXQETFU-UHFFFAOYSA-N -1 0 391.430 3.516 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3ccc(F)cc3Cl)n[nH]2)c1 ZINC000153194590 879253027 /nfs/dbraw/zinc/25/30/27/879253027.db2.gz KMFSLFQIPDEYPB-UHFFFAOYSA-N -1 0 396.787 3.578 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2ccc(CN=c3[n-]nc(C4CCOCC4)s3)o2)cc1 ZINC000453053358 880401738 /nfs/dbraw/zinc/40/17/38/880401738.db2.gz TTZFCFLNCZYLFB-UHFFFAOYSA-N -1 0 386.433 3.634 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ncc(Cc3ccc(F)cc3)s2)c1 ZINC000551310721 883667111 /nfs/dbraw/zinc/66/71/11/883667111.db2.gz GEIXLBXCZOGVLL-UHFFFAOYSA-N -1 0 393.421 3.582 20 5 GHBDRM O=[N+]([O-])c1cnc(Sc2n[n-]c(=NCCc3ccccc3)s2)c(Cl)c1 ZINC000609890928 883801072 /nfs/dbraw/zinc/80/10/72/883801072.db2.gz GPIWFQXLGOSJBK-UHFFFAOYSA-N -1 0 393.881 3.722 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(F)cc(NCC(F)(F)F)c1 ZINC000475796182 883911364 /nfs/dbraw/zinc/91/13/64/883911364.db2.gz XLARAAPZZHYUKH-UHFFFAOYSA-N -1 0 393.318 3.509 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccncc3)cc2)cc1 ZINC000152560705 883998641 /nfs/dbraw/zinc/99/86/41/883998641.db2.gz HPXXSOXYXSZADK-UHFFFAOYSA-N -1 0 387.442 3.942 20 5 GHBDRM C[C@H]1[C@@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1c1ccccc1 ZINC000476140995 884085997 /nfs/dbraw/zinc/08/59/97/884085997.db2.gz IRRSCNDVNOXJTL-FZMZJTMJSA-N -1 0 375.812 3.807 20 5 GHBDRM Cc1cc(NC(=O)c2cc3ccccc3cc2[N-]S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000777129387 884159080 /nfs/dbraw/zinc/15/90/80/884159080.db2.gz MVCPZHKMHAYXMB-UHFFFAOYSA-N -1 0 399.428 3.680 20 5 GHBDRM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000475825441 884388929 /nfs/dbraw/zinc/38/89/29/884388929.db2.gz FZBJUXAAWIPXRX-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3)s2)s1 ZINC000064245095 884856814 /nfs/dbraw/zinc/85/68/14/884856814.db2.gz HDRZNPAWMGHLAU-UHFFFAOYSA-N -1 0 381.460 3.504 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000808093069 886010646 /nfs/dbraw/zinc/01/06/46/886010646.db2.gz ICFTWBJICOZLDQ-UHFFFAOYSA-N -1 0 395.746 3.771 20 5 GHBDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000536518648 886681370 /nfs/dbraw/zinc/68/13/70/886681370.db2.gz FKTHAEKSKFOLFC-UHFFFAOYSA-N -1 0 390.339 3.813 20 5 GHBDRM O=C([O-])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@@H]2CCCC[C@H]12 ZINC000864156091 887590203 /nfs/dbraw/zinc/59/02/03/887590203.db2.gz XFLKLLSNBNEMBV-ZHALLVOQSA-N -1 0 382.416 3.854 20 5 GHBDRM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000794595523 887663030 /nfs/dbraw/zinc/66/30/30/887663030.db2.gz OBYWQGVPBLFXSN-UHFFFAOYSA-N -1 0 386.788 3.781 20 5 GHBDRM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000794596466 887663099 /nfs/dbraw/zinc/66/30/99/887663099.db2.gz NWPMGXHIWVHTPC-UHFFFAOYSA-N -1 0 398.824 3.650 20 5 GHBDRM Cc1cc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000916103387 888725088 /nfs/dbraw/zinc/72/50/88/888725088.db2.gz UELHFTKBJJWIBB-UHFFFAOYSA-N -1 0 385.785 3.574 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc(Oc2ccncc2)cc1 ZINC000123675947 889363511 /nfs/dbraw/zinc/36/35/11/889363511.db2.gz ZLAAIOJOFWONEE-UHFFFAOYSA-N -1 0 389.364 3.722 20 5 GHBDRM O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000811546497 889727255 /nfs/dbraw/zinc/72/72/55/889727255.db2.gz VAIPQQPUWXLQIX-RBUKOAKNSA-N -1 0 378.384 3.505 20 5 GHBDRM O=C(CCCC1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000916755613 890191750 /nfs/dbraw/zinc/19/17/50/890191750.db2.gz YGAGERDALTZTQT-UHFFFAOYSA-N -1 0 388.873 3.804 20 5 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ZINC000476021955 894118629 /nfs/dbraw/zinc/11/86/29/894118629.db2.gz CWNXSBYNKUDJTQ-UHFFFAOYSA-N -1 0 391.811 3.687 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1NC(=O)C1CC1 ZINC000815943909 894317827 /nfs/dbraw/zinc/31/78/27/894317827.db2.gz HSNXLTYZXKMIAM-UHFFFAOYSA-N -1 0 375.768 3.555 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c1F ZINC000760343242 895231436 /nfs/dbraw/zinc/23/14/36/895231436.db2.gz FRKOUNXVEFAPCR-UHFFFAOYSA-N -1 0 382.413 3.939 20 5 GHBDRM CCn1nc(C)c([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c1C ZINC000818050363 896035772 /nfs/dbraw/zinc/03/57/72/896035772.db2.gz QUDZJQSNKPCWCQ-UHFFFAOYSA-N -1 0 393.252 3.536 20 5 GHBDRM CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000818054543 896037187 /nfs/dbraw/zinc/03/71/87/896037187.db2.gz QVKYOZLBQZISGS-UHFFFAOYSA-N -1 0 393.252 3.559 20 5 GHBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)s2)ccc1Br ZINC000129825715 896898928 /nfs/dbraw/zinc/89/89/28/896898928.db2.gz 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CC(C)c1nn(-c2ccccc2)cc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001592043701 976776265 /nfs/dbraw/zinc/77/62/65/976776265.db2.gz KAIVCVVECHLLIP-UHFFFAOYSA-N -1 0 394.387 3.854 20 5 GHBDRM CC(C)c1sc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])nc1C(=O)[O-] ZINC001592108210 976892302 /nfs/dbraw/zinc/89/23/02/976892302.db2.gz MTCWRGLMBMTEJW-UHFFFAOYSA-N -1 0 377.422 3.789 20 5 GHBDRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC001592304726 977667123 /nfs/dbraw/zinc/66/71/23/977667123.db2.gz PIINQSCTXZQJBW-FQEVSTJZSA-N -1 0 383.404 3.712 20 5 GHBDRM C[C@H](C[C@@H]1CCOC1)Nc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001592464717 978203282 /nfs/dbraw/zinc/20/32/82/978203282.db2.gz XSLZCRMMVJDEQK-KGLIPLIRSA-N -1 0 398.415 3.751 20 5 GHBDRM Cn1ccnc1[C@@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1F ZINC000754775680 978696605 /nfs/dbraw/zinc/69/66/05/978696605.db2.gz YGONQDKDCQOYGL-XSBJJCPUSA-N -1 0 396.378 3.767 20 5 GHBDRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000832847971 979049948 /nfs/dbraw/zinc/04/99/48/979049948.db2.gz GQEHORXDIRVPAQ-UHFFFAOYSA-N -1 0 385.195 3.678 20 5 GHBDRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001592839131 979594869 /nfs/dbraw/zinc/59/48/69/979594869.db2.gz DKWVFCNPLIAGDE-KRWDZBQOSA-N -1 0 397.214 3.717 20 5 GHBDRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001592839133 979595005 /nfs/dbraw/zinc/59/50/05/979595005.db2.gz DKWVFCNPLIAGDE-QGZVFWFLSA-N -1 0 397.214 3.717 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001595213087 980004378 /nfs/dbraw/zinc/00/43/78/980004378.db2.gz SHGBFHQFXJIYOV-LLVKDONJSA-N -1 0 378.331 3.779 20 5 GHBDRM CCC1(NC(=O)OC(C)(C)C)CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001595390393 980946532 /nfs/dbraw/zinc/94/65/32/980946532.db2.gz GDEFWJQABVVNJH-UHFFFAOYSA-N -1 0 393.440 3.567 20 5 GHBDRM CCC[C@@H](C)c1cc(NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)n[nH]1 ZINC001595579890 981511724 /nfs/dbraw/zinc/51/17/24/981511724.db2.gz VQNJLLIUQBCTEZ-SECBINFHSA-N -1 0 375.385 3.872 20 5 GHBDRM CCCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1C ZINC001595885791 982909532 /nfs/dbraw/zinc/90/95/32/982909532.db2.gz GOAJKSRZWULKOI-OAHLLOKOSA-N -1 0 399.447 3.841 20 5 GHBDRM C[C@H](NCc1cc(C(=O)[O-])ccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC001599901615 984841300 /nfs/dbraw/zinc/84/13/00/984841300.db2.gz QKSHQNMQKSMMCV-JTQLQIEISA-N -1 0 379.210 3.906 20 5 GHBDRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc2n1C ZINC001599986333 986230123 /nfs/dbraw/zinc/23/01/23/986230123.db2.gz XHLNPVUDCBCYQV-UHFFFAOYSA-N -1 0 388.763 3.966 20 5 GHBDRM C[C@@H]1CN(c2ccc(Nc3cc(C(=O)[O-])ccc3[N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC001594576332 986417924 /nfs/dbraw/zinc/41/79/24/986417924.db2.gz XFSBOSVCIFMPFI-TXEJJXNPSA-N -1 0 389.383 3.789 20 5 GHBDRM CCOc1ccc(C[C@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C(=O)[O-])cc1 ZINC001597095810 986697494 /nfs/dbraw/zinc/69/74/94/986697494.db2.gz PJSXMLGJGDGCAI-MRXNPFEDSA-N -1 0 399.447 3.623 20 5 GHBDRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])cc2cccnc21)c1ccc([N+](=O)[O-])cc1F ZINC001589428502 986701700 /nfs/dbraw/zinc/70/17/00/986701700.db2.gz HHDCHBPUALEMLG-SNVBAGLBSA-N -1 0 383.335 3.723 20 5 GHBDRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 ZINC001589461156 986909974 /nfs/dbraw/zinc/90/99/74/986909974.db2.gz AWULQOWLNGHQLD-BONVTDFDSA-N -1 0 396.321 3.805 20 5 GHBDRM CCC(=O)c1ccc(N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)c([N+](=O)[O-])c1 ZINC001594716897 987190669 /nfs/dbraw/zinc/19/06/69/987190669.db2.gz GHYQWWGONLSZIH-LBPRGKRZSA-N -1 0 389.433 3.726 20 5 GHBDRM CSCCCN(C)c1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001599799506 988152407 /nfs/dbraw/zinc/15/24/07/988152407.db2.gz CGMDJOGYTSXQRR-UHFFFAOYSA-N -1 0 388.445 3.713 20 5 GHBDRM CC(C)(C)OC(=O)CC[C@@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001589873891 988523887 /nfs/dbraw/zinc/52/38/87/988523887.db2.gz VCEKBTWLYUENLW-ZDUSSCGKSA-N -1 0 378.425 3.631 20 5 GHBDRM CCc1nc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cs1 ZINC001597656556 988710636 /nfs/dbraw/zinc/71/06/36/988710636.db2.gz RLSCHGIIJXWGIX-VIFPVBQESA-N -1 0 378.410 3.503 20 5 GHBDRM CN(CCc1cccc(Br)c1)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001598500055 992422185 /nfs/dbraw/zinc/42/21/85/992422185.db2.gz BSCZIFTVHQFMCH-UHFFFAOYSA-N -1 0 393.237 3.663 20 5 GHBDRM CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000468482425 1015743107 /nfs/dbraw/zinc/74/31/07/1015743107.db2.gz BPVQWJFBZQUPCI-UHFFFAOYSA-N -1 0 394.431 3.541 20 5 GHBDRM C[C@](NC(=O)c1cc2c(cccc2C2CC2)[nH]1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593154491 993963114 /nfs/dbraw/zinc/96/31/14/993963114.db2.gz DQMZTBHBJJHIFR-OAQYLSRUSA-N -1 0 393.399 3.683 20 5 GHBDRM C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593159595 993986495 /nfs/dbraw/zinc/98/64/95/993986495.db2.gz JIQBIHAIJFPEIB-RHSMWYFYSA-N -1 0 398.459 3.954 20 5 GHBDRM COc1ccc2c(c1)c(C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)c(C)n2C ZINC001599631399 994224599 /nfs/dbraw/zinc/22/45/99/994224599.db2.gz ADWSFWSQYSHMNA-UHFFFAOYSA-N -1 0 397.387 3.662 20 5 GHBDRM C[C@@](NCc1c(F)cccc1Br)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593286505 994646027 /nfs/dbraw/zinc/64/60/27/994646027.db2.gz UUJOUNCVNZSRIA-INIZCTEOSA-N -1 0 397.200 3.586 20 5 GHBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001593620000 995866846 /nfs/dbraw/zinc/86/68/46/995866846.db2.gz VTEBTAYDZCAXPM-IUCAKERBSA-N -1 0 383.740 3.611 20 5 GHBDRM CC1(C)CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC001593911836 996807738 /nfs/dbraw/zinc/80/77/38/996807738.db2.gz OXLKCBDFOBPOOP-SFHVURJKSA-N -1 0 382.416 3.949 20 5 GHBDRM COC[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)c1cccc(OC)c1 ZINC001599177613 996880452 /nfs/dbraw/zinc/88/04/52/996880452.db2.gz CYSOZPXBFWOOJE-CYBMUJFWSA-N -1 0 380.784 3.755 20 5 GHBDRM COc1ccc([C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)[O-])cc1 ZINC001599530709 997646330 /nfs/dbraw/zinc/64/63/30/997646330.db2.gz FQVSVHTUVVKSPS-IBGZPJMESA-N -1 0 382.372 3.779 20 5 GHBDRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001599542283 997864450 /nfs/dbraw/zinc/86/44/50/997864450.db2.gz IVIXRGGHWABTBJ-VZUCSPMQSA-N -1 0 385.372 3.584 20 5 GHBDRM COc1cc(OC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC001599447359 998030063 /nfs/dbraw/zinc/03/00/63/998030063.db2.gz JBNPBATUAKJBDU-UHFFFAOYSA-N -1 0 385.250 3.540 20 5 GHBDRM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCCCC1(C(=O)[O-])CCC1 ZINC001598955340 998230924 /nfs/dbraw/zinc/23/09/24/998230924.db2.gz CWKUSLGUDXRTDB-UHFFFAOYSA-N -1 0 384.816 3.872 20 5 GHBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001598955805 998238695 /nfs/dbraw/zinc/23/86/95/998238695.db2.gz SBVSQKFREDCSCC-HNNXBMFYSA-N -1 0 398.415 3.920 20 5 GHBDRM COc1ccc(-c2cc(CNc3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])on2)cc1 ZINC001599467326 998386105 /nfs/dbraw/zinc/38/61/05/998386105.db2.gz GOUQBGGNQUQTKU-OQFOIZHKSA-N -1 0 395.371 3.968 20 5 GHBDRM C[C@@H]1CC(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C[C@@H](C)C1 ZINC001594223399 998861950 /nfs/dbraw/zinc/86/19/50/998861950.db2.gz VGDGNMQLZAHLBX-STQMWFEESA-N -1 0 394.493 3.964 20 5 GHBDRM COc1cc(CNc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000834669424 1021357515 /nfs/dbraw/zinc/35/75/15/1021357515.db2.gz YTGITEMHUJOPBP-UHFFFAOYSA-N -1 0 397.353 3.702 20 5 GHBDRM O=c1[n-]c(C2CC2)nc(O[C@H]2CCc3c2cccc3Br)c1[N+](=O)[O-] ZINC001228604278 1033002857 /nfs/dbraw/zinc/00/28/57/1033002857.db2.gz QFBJRYHXXQDHOH-LBPRGKRZSA-N -1 0 392.209 3.797 20 5 GHBDRM O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755317500 1023190626 /nfs/dbraw/zinc/19/06/26/1023190626.db2.gz OIJUDGMRDXUMCW-UHFFFAOYSA-N -1 0 386.751 3.788 20 5 GHBDRM O=C(N[C@@H]1CCc2c1ccc(F)c2Br)c1cccc([N+](=O)[O-])c1[O-] ZINC001141009605 1023196641 /nfs/dbraw/zinc/19/66/41/1023196641.db2.gz METKOALMQCCBSY-GFCCVEGCSA-N -1 0 395.184 3.619 20 5 GHBDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CC[C@@H](OCc3ccccc3)C2)cc1[O-] ZINC001228813840 1033113006 /nfs/dbraw/zinc/11/30/06/1033113006.db2.gz GXMMJJQXFKGDLE-CABCVRRESA-N -1 0 387.388 3.604 20 5 GHBDRM C[C@@](CC(=O)[O-])(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 ZINC000756776285 1023811252 /nfs/dbraw/zinc/81/12/52/1023811252.db2.gz UYXRPHFIPPULIH-SFHVURJKSA-N -1 0 382.844 3.926 20 5 GHBDRM CN(C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])[C@H]1CCC(C)(C)C1 ZINC000831009802 1024305171 /nfs/dbraw/zinc/30/51/71/1024305171.db2.gz GRZPUMBNPQMLHA-LBPRGKRZSA-N -1 0 392.843 3.790 20 5 GHBDRM COc1ccc(Cl)cc1CN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001141356926 1024683892 /nfs/dbraw/zinc/68/38/92/1024683892.db2.gz XQWOPUMFAWKSCQ-UHFFFAOYSA-N -1 0 385.203 3.888 20 5 GHBDRM CCN(CCOc1ccccc1C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001162458378 1025754335 /nfs/dbraw/zinc/75/43/35/1025754335.db2.gz RATRSPOFBCEMKB-UHFFFAOYSA-N -1 0 378.812 3.803 20 5 GHBDRM COC(=O)c1cc(OC)c(Br)cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210397500 1027488787 /nfs/dbraw/zinc/48/87/87/1027488787.db2.gz CVPARYAUCKLXFY-UHFFFAOYSA-N -1 0 397.181 3.602 20 5 GHBDRM O=[N+]([O-])c1cc(F)ccc1Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1 ZINC001210953745 1027718281 /nfs/dbraw/zinc/71/82/81/1027718281.db2.gz OPRNBNFJTVHVNF-UHFFFAOYSA-N -1 0 378.337 3.583 20 5 GHBDRM O=[N+]([O-])c1ncc(-c2nc(-c3cccc(Cl)c3Br)no2)cc1[O-] ZINC001213596071 1028285873 /nfs/dbraw/zinc/28/58/73/1028285873.db2.gz KZDAKDAYSQXJKU-UHFFFAOYSA-N -1 0 397.572 3.828 20 5 GHBDRM Cc1cc(OC(F)(F)F)ccc1-c1noc(-c2cnc([N+](=O)[O-])c([O-])c2)n1 ZINC001213595929 1028285944 /nfs/dbraw/zinc/28/59/44/1028285944.db2.gz DEJPSFWRKILYMT-UHFFFAOYSA-N -1 0 382.254 3.619 20 5 GHBDRM O=[N+]([O-])c1ncc(-c2nc(-c3ccccc3OCc3ccccc3)no2)cc1[O-] ZINC001213596119 1028286197 /nfs/dbraw/zinc/28/61/97/1028286197.db2.gz MVAMZNWEYYMEKZ-UHFFFAOYSA-N -1 0 390.355 3.991 20 5 GHBDRM CC1(C)CCc2nc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])sc2C1 ZINC000841503506 1028703955 /nfs/dbraw/zinc/70/39/55/1028703955.db2.gz MFWIZECUNTXWRK-UHFFFAOYSA-N -1 0 385.442 3.506 20 5 GHBDRM COc1cc([N+](=O)[O-])c(-c2nc(-c3cc(F)c(F)cc3Cl)no2)cc1[O-] ZINC001216343591 1029609983 /nfs/dbraw/zinc/60/99/83/1029609983.db2.gz LYIXRXIJDDSTSX-UHFFFAOYSA-N -1 0 383.694 3.958 20 5 GHBDRM COc1cc(Cl)c(-c2noc(-c3cc([O-])ccc3[N+](=O)[O-])n2)cc1OC ZINC001216678381 1029728146 /nfs/dbraw/zinc/72/81/46/1029728146.db2.gz AQOWHDDZMJADTA-UHFFFAOYSA-N -1 0 377.740 3.688 20 5 GHBDRM O=C1SCCN1Cc1ccccc1-c1noc(-c2cc([O-])ccc2[N+](=O)[O-])n1 ZINC001216682531 1029729175 /nfs/dbraw/zinc/72/91/75/1029729175.db2.gz VTYHLXHGKKDOBK-UHFFFAOYSA-N -1 0 398.400 3.686 20 5 GHBDRM COc1ccc(Br)cc1-c1noc(-c2cccc([N+](=O)[O-])c2[O-])n1 ZINC001216700689 1029734641 /nfs/dbraw/zinc/73/46/41/1029734641.db2.gz IITQUWXATPJDMO-UHFFFAOYSA-N -1 0 392.165 3.789 20 5 GHBDRM COc1cc(-c2nc(-c3nc4ccccc4cc3C)no2)cc([N+](=O)[O-])c1[O-] ZINC001216837401 1029955693 /nfs/dbraw/zinc/95/56/93/1029955693.db2.gz VUYFYXVAHPZQKG-UHFFFAOYSA-N -1 0 378.344 3.883 20 5 GHBDRM COc1ccc(-c2noc(-c3ccc([O-])cc3[N+](=O)[O-])n2)cc1Br ZINC001216891762 1029982592 /nfs/dbraw/zinc/98/25/92/1029982592.db2.gz VZXIIUQVUADYAZ-UHFFFAOYSA-N -1 0 392.165 3.789 20 5 GHBDRM O=[N+]([O-])c1cc([O-])ccc1-c1nc(-c2ccc(Br)c(F)c2)no1 ZINC001216891994 1029982754 /nfs/dbraw/zinc/98/27/54/1029982754.db2.gz ZSDXGIOTZAQVGN-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001149650174 1030253130 /nfs/dbraw/zinc/25/31/30/1030253130.db2.gz ADNFFFCEGVZSDL-UHFFFAOYSA-N -1 0 380.385 3.953 20 5 GHBDRM O=c1cc(-c2nc(-c3ccc(Cl)cc3F)no2)[n-]c2ccc([N+](=O)[O-])cc12 ZINC001217509710 1030451437 /nfs/dbraw/zinc/45/14/37/1030451437.db2.gz CUCWCOJJUKYLMM-UHFFFAOYSA-N -1 0 386.726 3.946 20 5 GHBDRM Cc1cc(-c2noc(-c3cc(=O)c4cc([N+](=O)[O-])ccc4[n-]3)n2)c(F)cc1F ZINC001217511937 1030454707 /nfs/dbraw/zinc/45/47/07/1030454707.db2.gz KGTUGHFSOUOTPO-UHFFFAOYSA-N -1 0 384.298 3.740 20 5 GHBDRM Nc1cc2nc3ccccc3nc2cc1NC(=O)c1cc(=O)c2cccc(O)c2[n-]1 ZINC001152679254 1031321212 /nfs/dbraw/zinc/32/12/12/1031321212.db2.gz LAHYZSSMZIHCQG-UHFFFAOYSA-N -1 0 397.394 3.577 20 5 GHBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H](C)c2cccc3ccccc32)c1[N+](=O)[O-] ZINC001226019447 1031743977 /nfs/dbraw/zinc/74/39/77/1031743977.db2.gz ZGPYTVSVXLUTRN-NSHDSACASA-N -1 0 383.360 3.560 20 5 GHBDRM CCOC(=O)[C@@H](Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc21)C(F)(F)F ZINC001229798300 1033722595 /nfs/dbraw/zinc/72/25/95/1033722595.db2.gz UPGOMVXMGRWQDI-OAHLLOKOSA-N -1 0 382.290 3.525 20 5 GHBDRM Cc1ccc2c(c1)nc(=O)[n-]c2OC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001230890148 1034275043 /nfs/dbraw/zinc/27/50/43/1034275043.db2.gz ZEMJKQCLWQCVDP-UHFFFAOYSA-N -1 0 380.404 3.600 20 5 GHBDRM O=C(c1ccsc1)[C@H](Oc1[n-]c(=O)nc(Cl)c1[N+](=O)[O-])c1ccsc1 ZINC001231071292 1034379181 /nfs/dbraw/zinc/37/91/81/1034379181.db2.gz HMWNFTUPUVYEEC-LLVKDONJSA-N -1 0 397.821 3.870 20 5 GHBDRM O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2Cc3ccc(Br)cc3C2)cc1[O-] ZINC001231222144 1034469333 /nfs/dbraw/zinc/46/93/33/1034469333.db2.gz XMVJSGDPCVJGQS-LLVKDONJSA-N -1 0 395.165 3.517 20 5 GHBDRM CC(C)C(=O)OCC(C)(C)[C@H](Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC001231222903 1034471430 /nfs/dbraw/zinc/47/14/30/1034471430.db2.gz CVDCFZJHGPTODC-MRXNPFEDSA-N -1 0 398.412 3.837 20 5 GHBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H]2CCOc3ccc(Br)cc32)[n-]1 ZINC001231260540 1034489890 /nfs/dbraw/zinc/48/98/90/1034489890.db2.gz UAFYLZZNLHPBFE-CYBMUJFWSA-N -1 0 381.182 3.669 20 5 GHBDRM O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC001160185721 1034893789 /nfs/dbraw/zinc/89/37/89/1034893789.db2.gz LVSVTTSXHAAWBF-AULYBMBSSA-N -1 0 391.221 3.739 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1-c1nnc(-c2ccc(Cn3cc(Cl)cn3)cc2)o1 ZINC001257183523 1043923728 /nfs/dbraw/zinc/92/37/28/1043923728.db2.gz XQGLDLNDDWIWQR-UHFFFAOYSA-N -1 0 397.778 3.916 20 5 GHBDRM Cc1cc(C)n(Cc2cccc(-c3nnc(-c4ccc([N+](=O)[O-])cc4[O-])o3)c2)n1 ZINC001257483047 1044013476 /nfs/dbraw/zinc/01/34/76/1044013476.db2.gz CMPFPMGFTJURQD-UHFFFAOYSA-N -1 0 391.387 3.879 20 5 GHBDRM COc1cc(OC)cc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])n2)c1 ZINC001298633134 1045902626 /nfs/dbraw/zinc/90/26/26/1045902626.db2.gz MDICRKZXHXVOOS-UHFFFAOYSA-N -1 0 395.371 3.632 20 5 GHBDRM CCCC[C@@H](C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC001261764834 1046082057 /nfs/dbraw/zinc/08/20/57/1046082057.db2.gz PRVMYCNXSUIQMQ-LLVKDONJSA-N -1 0 376.862 3.516 20 5 GHBDRM Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC001309205829 1050471720 /nfs/dbraw/zinc/47/17/20/1050471720.db2.gz LVDPURAZQIHBJM-INIZCTEOSA-N -1 0 376.434 3.525 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1ccc(-c2cccs2)cc1 ZINC001309662981 1050908063 /nfs/dbraw/zinc/90/80/63/1050908063.db2.gz PWHQCIHIIURNCO-UHFFFAOYSA-N -1 0 392.433 3.941 20 5 GHBDRM CC(C)(C)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001475381184 1051366083 /nfs/dbraw/zinc/36/60/83/1051366083.db2.gz FUOSRZOIFKQTIH-ZYHUDNBSSA-N -1 0 378.853 3.880 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccncc2)c(F)c1 ZINC001318415189 1054623472 /nfs/dbraw/zinc/62/34/72/1054623472.db2.gz ULUONOFSCJUKMG-UHFFFAOYSA-N -1 0 389.364 3.722 20 5 GHBDRM Cc1ccc([C@H]([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C(F)(F)F)o1 ZINC000848505144 1057138858 /nfs/dbraw/zinc/13/88/58/1057138858.db2.gz MBEFPUBMTSDUEP-ZDUSSCGKSA-N -1 0 396.318 3.526 20 5 GHBDRM O=[N+]([O-])c1sccc1S(=O)(=O)[N-]c1ccc(COC2CCCC2)cc1 ZINC001325314824 1057311208 /nfs/dbraw/zinc/31/12/08/1057311208.db2.gz YFHNBQUTQWKZMZ-UHFFFAOYSA-N -1 0 382.463 3.916 20 5 GHBDRM CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](COC)Cc1ccccc1 ZINC001445357446 1059511704 /nfs/dbraw/zinc/51/17/04/1059511704.db2.gz IZDPWMLXJQJYGX-OAHLLOKOSA-N -1 0 392.839 3.674 20 5 GHBDRM O=C(NCC1(c2ccc(F)cc2F)CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001446346015 1059760608 /nfs/dbraw/zinc/76/06/08/1059760608.db2.gz XTCGIBOAJMPRLT-UHFFFAOYSA-N -1 0 382.750 3.694 20 5 GHBDRM COc1ccccc1[C@@H]1CSCCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001455505101 1062191795 /nfs/dbraw/zinc/19/17/95/1062191795.db2.gz PUQHWIYLEZSEKY-INIZCTEOSA-N -1 0 388.445 3.629 20 5 GHBDRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001460039197 1064367063 /nfs/dbraw/zinc/36/70/63/1064367063.db2.gz LTJZLTLFUYLUPJ-UHFFFAOYSA-N -1 0 395.337 3.642 20 5 GHBDRM O=C(Nc1nnc(-c2ccncc2)s1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001466280647 1066070710 /nfs/dbraw/zinc/07/07/10/1066070710.db2.gz LUNHIORQNUJMKB-UHFFFAOYSA-N -1 0 379.760 3.553 20 5 GHBDRM CC(C)N(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001466418304 1066143353 /nfs/dbraw/zinc/14/33/53/1066143353.db2.gz BKUOTQJSJHJGSP-UHFFFAOYSA-N -1 0 394.431 3.596 20 5 GHBDRM Cc1ccc2c(c1)CCN2C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001467775178 1067462701 /nfs/dbraw/zinc/46/27/01/1067462701.db2.gz OFKGVXCDTTXHSS-UHFFFAOYSA-N -1 0 398.806 3.651 20 5 GHBDRM Cc1ccc(NCCCNC(=O)c2cc(F)cc(Cl)c2[O-])c([N+](=O)[O-])c1 ZINC001472516596 1073526030 /nfs/dbraw/zinc/52/60/30/1073526030.db2.gz WPOHFZUSSCNQSO-UHFFFAOYSA-N -1 0 381.791 3.633 20 5 GHBDRM Cc1ccccc1[C@@H](CC(C)C)NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001474964971 1074656115 /nfs/dbraw/zinc/65/61/15/1074656115.db2.gz VBJBTYZOEFRXOX-MRXNPFEDSA-N -1 0 378.450 3.675 20 5 GHBDRM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(F)(F)F ZINC001475245233 1074802608 /nfs/dbraw/zinc/80/26/08/1074802608.db2.gz MJZRFCKHORNDLL-JMCQJSRRSA-N -1 0 388.795 3.812 20 5 GHBDRM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000738513254 599800834 /nfs/dbraw/zinc/80/08/34/599800834.db2.gz BSPQZTJXTBOWFC-UHFFFAOYSA-N -1 0 398.293 3.795 20 5 GHBDRM Cc1c(Br)cccc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000538465142 599980148 /nfs/dbraw/zinc/98/01/48/599980148.db2.gz RCEOQGHPPIOCNE-UHFFFAOYSA-N -1 0 379.166 3.616 20 5 GHBDRM Cn1c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1-c1ccc(F)cc1 ZINC000739013089 600190456 /nfs/dbraw/zinc/19/04/56/600190456.db2.gz VLSZBTXZVFTCPR-UHFFFAOYSA-N -1 0 383.335 3.690 20 5 GHBDRM O=C([O-])c1cc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)cc([N+](=O)[O-])c1 ZINC000739252267 600192148 /nfs/dbraw/zinc/19/21/48/600192148.db2.gz RERMAHMKPRUEJV-UHFFFAOYSA-N -1 0 379.372 3.859 20 5 GHBDRM O=C([O-])CCC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000738564297 600390982 /nfs/dbraw/zinc/39/09/82/600390982.db2.gz NPOZGAVCDSORAG-UHFFFAOYSA-N -1 0 396.758 3.661 20 5 GHBDRM O=C([O-])c1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 ZINC000740245590 600431354 /nfs/dbraw/zinc/43/13/54/600431354.db2.gz RKVAVVZPPWWXRM-UHFFFAOYSA-N -1 0 379.328 3.733 20 5 GHBDRM CN(Cc1ccccn1)c1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000737493531 600432585 /nfs/dbraw/zinc/43/25/85/600432585.db2.gz CCOXGQSMCMZEKN-UHFFFAOYSA-N -1 0 391.383 3.555 20 5 GHBDRM O=C([O-])c1cc(OCC(=O)Nc2ccccc2SC(F)F)ccc1[N+](=O)[O-] ZINC000739330171 600442327 /nfs/dbraw/zinc/44/23/27/600442327.db2.gz YLPYGVCAOXMWBX-UHFFFAOYSA-N -1 0 398.343 3.625 20 5 GHBDRM C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1cccc2ccccc21 ZINC000736638420 600443505 /nfs/dbraw/zinc/44/35/05/600443505.db2.gz CXYBZAJWFLVMQL-CYBMUJFWSA-N -1 0 394.383 3.702 20 5 GHBDRM C[C@H](NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000736703384 600462297 /nfs/dbraw/zinc/46/22/97/600462297.db2.gz SEHIWJNFZKCMQO-QWRGUYRKSA-N -1 0 392.795 3.591 20 5 GHBDRM Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(Cl)c1 ZINC000738357215 600462894 /nfs/dbraw/zinc/46/28/94/600462894.db2.gz BQUHMLLYXOLYCP-LLVKDONJSA-N -1 0 392.795 3.969 20 5 GHBDRM CCOc1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000485465198 600480894 /nfs/dbraw/zinc/48/08/94/600480894.db2.gz NJOTYPPPXUCUBT-UHFFFAOYSA-N -1 0 394.767 3.606 20 5 GHBDRM O=C([O-])CCCOc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000539569595 600496611 /nfs/dbraw/zinc/49/66/11/600496611.db2.gz KZOUVBQURSJVSY-UHFFFAOYSA-N -1 0 383.360 3.572 20 5 GHBDRM O=C([O-])c1cc(NC(=O)CCc2ccc(OC(F)(F)F)cc2)cc([N+](=O)[O-])c1 ZINC000739260490 600541510 /nfs/dbraw/zinc/54/15/10/600541510.db2.gz JHKFYTYDTANGLC-UHFFFAOYSA-N -1 0 398.293 3.763 20 5 GHBDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 ZINC000738202549 600586482 /nfs/dbraw/zinc/58/64/82/600586482.db2.gz HFIOIOMRXBVLJX-OAHLLOKOSA-N -1 0 394.836 3.916 20 5 GHBDRM Cc1cccc(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])c1[N+](=O)[O-] ZINC000237916184 600606570 /nfs/dbraw/zinc/60/65/70/600606570.db2.gz ADXYGEKVHVOJFG-SFHVURJKSA-N -1 0 392.411 3.730 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000537401818 600618135 /nfs/dbraw/zinc/61/81/35/600618135.db2.gz AFIIKFAKEAKZCW-SFHVURJKSA-N -1 0 380.466 3.716 20 5 GHBDRM CN(C)[C@@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000737358313 600623715 /nfs/dbraw/zinc/62/37/15/600623715.db2.gz LRFRHZZMIJUEPM-KMDWOBIYSA-N -1 0 391.374 3.686 20 5 GHBDRM Cc1ccc(NCCCNC(=O)Nc2cccc(NC(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000738632532 600625158 /nfs/dbraw/zinc/62/51/58/600625158.db2.gz GLGGYGXAJAWNRB-UHFFFAOYSA-N -1 0 387.396 3.617 20 5 GHBDRM CO[C@@H](CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000831519123 600826196 /nfs/dbraw/zinc/82/61/96/600826196.db2.gz KCCAHJUCTDTPSF-AWEZNQCLSA-N -1 0 395.755 3.654 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000736714585 600847869 /nfs/dbraw/zinc/84/78/69/600847869.db2.gz YCSCCBIURFGECA-CHWSQXEVSA-N -1 0 386.429 3.681 20 5 GHBDRM O=Cc1cc([N+](=O)[O-])ccc1OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000740319025 600983717 /nfs/dbraw/zinc/98/37/17/600983717.db2.gz QGHXLFMRJXWMJS-UHFFFAOYSA-N -1 0 384.369 3.808 20 5 GHBDRM Cc1ccc(-c2csc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)n2)cc1[N+](=O)[O-] ZINC000832907369 601148242 /nfs/dbraw/zinc/14/82/42/601148242.db2.gz SWYSKDQXKQTHTH-OLZOCXBDSA-N -1 0 389.433 3.856 20 5 GHBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000826039265 601614945 /nfs/dbraw/zinc/61/49/45/601614945.db2.gz QACHEGXYJCIVEZ-BMIGLBTASA-N -1 0 377.784 3.832 20 5 GHBDRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000833033012 601726415 /nfs/dbraw/zinc/72/64/15/601726415.db2.gz NVPVEVHOSKJXQE-UHFFFAOYSA-N -1 0 394.361 3.545 20 5 GHBDRM O=C([O-])c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1F ZINC000761749422 601849634 /nfs/dbraw/zinc/84/96/34/601849634.db2.gz VDDAZFLWEYBTLP-UHFFFAOYSA-N -1 0 390.370 3.631 20 5 GHBDRM O=C([O-])N1CCc2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc21 ZINC000740469510 602271712 /nfs/dbraw/zinc/27/17/12/602271712.db2.gz GUCRKVOFCJHOPW-UHFFFAOYSA-N -1 0 376.756 3.933 20 5 GHBDRM Cc1cc(N[C@H](Cc2nccn2C)c2ccccc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896514 602319973 /nfs/dbraw/zinc/31/99/73/602319973.db2.gz AMEBNRBHGWMOID-QGZVFWFLSA-N -1 0 380.404 3.731 20 5 GHBDRM O=C([O-])c1cc(Oc2ccccc2)ccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000833156562 602362669 /nfs/dbraw/zinc/36/26/69/602362669.db2.gz FHZZQBIIGZPUOA-UHFFFAOYSA-N -1 0 379.328 3.733 20 5 GHBDRM Cc1sc(NC(=O)CCC(C)(C)NC(=O)[O-])nc1-c1cccc([N+](=O)[O-])c1 ZINC000740281901 602794514 /nfs/dbraw/zinc/79/45/14/602794514.db2.gz QLZXXPKJFULOTG-UHFFFAOYSA-N -1 0 392.437 3.792 20 5 GHBDRM CCNc1ccc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000739465719 603430682 /nfs/dbraw/zinc/43/06/82/603430682.db2.gz IWAPJLHKGBTGEW-UHFFFAOYSA-N -1 0 384.392 3.562 20 5 GHBDRM COc1ccc2c(c1)CCCN(c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000832493531 604263939 /nfs/dbraw/zinc/26/39/39/604263939.db2.gz HERGEBJNJMETDR-UHFFFAOYSA-N -1 0 376.796 3.908 20 5 GHBDRM Cc1cc(C)n([C@@H]2CCCN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000832881729 604265372 /nfs/dbraw/zinc/26/53/72/604265372.db2.gz WIADNYPCBPREQK-GFCCVEGCSA-N -1 0 378.816 3.601 20 5 GHBDRM C[C@@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000828489041 604272429 /nfs/dbraw/zinc/27/24/29/604272429.db2.gz YENUBOVGCNOWBW-PSLIRLAXSA-N -1 0 382.825 3.974 20 5 GHBDRM Cc1cc([C@@H](C)OC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)oc1C(=O)[O-] ZINC000832874828 604548871 /nfs/dbraw/zinc/54/88/71/604548871.db2.gz LWLLNCJSKYKJJK-GHMZBOCLSA-N -1 0 379.390 3.979 20 5 GHBDRM CC(=O)N1CC[C@@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC000833393376 604635551 /nfs/dbraw/zinc/63/55/51/604635551.db2.gz ILSQNBRBLSIVTO-MNDMWVCDSA-N -1 0 381.388 3.602 20 5 GHBDRM O=C([O-])COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000431772434 604900826 /nfs/dbraw/zinc/90/08/26/604900826.db2.gz KYHDDKIAIYXQGS-UHFFFAOYSA-N -1 0 399.186 3.546 20 5 GHBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000833498444 604923657 /nfs/dbraw/zinc/92/36/57/604923657.db2.gz PWBPHFZHAABZDU-UHFFFAOYSA-N -1 0 397.391 3.612 20 5 GHBDRM O=C([O-])c1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)ccc1Br ZINC000833764046 605065297 /nfs/dbraw/zinc/06/52/97/605065297.db2.gz UGDWEGGQTCDGIX-UHFFFAOYSA-N -1 0 393.193 3.627 20 5 GHBDRM CC(C)(NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000833459766 605283595 /nfs/dbraw/zinc/28/35/95/605283595.db2.gz HDWYBOGEPAYWKP-UHFFFAOYSA-N -1 0 376.344 3.881 20 5 GHBDRM CC(C)(C(=O)[O-])[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000833411300 605297767 /nfs/dbraw/zinc/29/77/67/605297767.db2.gz BDDUQPCSXSGVGM-OAHLLOKOSA-N -1 0 392.358 3.655 20 5 GHBDRM O=C([O-])C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000833772511 605309930 /nfs/dbraw/zinc/30/99/30/605309930.db2.gz AURDLOCHWJOEGB-AWEZNQCLSA-N -1 0 382.294 3.559 20 5 GHBDRM C/C(=C/C(=O)Nc1nc(CCCC(=O)[O-])cs1)c1ccc([N+](=O)[O-])cc1 ZINC000833384548 605356577 /nfs/dbraw/zinc/35/65/77/605356577.db2.gz YEYGENQOOUIVLH-LUAWRHEFSA-N -1 0 375.406 3.501 20 5 GHBDRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000833383133 605366682 /nfs/dbraw/zinc/36/66/82/605366682.db2.gz RYRDLFOQYBZRPA-SECOEOQKSA-N -1 0 392.770 3.733 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000186747054 837399061 /nfs/dbraw/zinc/39/90/61/837399061.db2.gz ZMHRKIOQOHQIMN-UHFFFAOYSA-N -1 0 399.230 3.632 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1CCN(c2nc3ccccc3s2)CC1 ZINC000180774903 837533748 /nfs/dbraw/zinc/53/37/48/837533748.db2.gz NQLIZGPIHSLPLL-UHFFFAOYSA-N -1 0 398.444 3.765 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccco4)nc3c2)cs1 ZINC000120075718 834369619 /nfs/dbraw/zinc/36/96/19/834369619.db2.gz AYNVMVLUIFUONW-UHFFFAOYSA-N -1 0 390.402 3.593 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SC(C)C ZINC000471117518 834729031 /nfs/dbraw/zinc/72/90/31/834729031.db2.gz VUGSVDCZOOHDDM-UHFFFAOYSA-N -1 0 382.463 3.905 20 5 GHBDRM O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000536102433 834864511 /nfs/dbraw/zinc/86/45/11/834864511.db2.gz GUFSMZYCAURQCM-UHFFFAOYSA-N -1 0 397.412 3.795 20 5 GHBDRM O=C(c1ccccc1)c1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120228711 834943406 /nfs/dbraw/zinc/94/34/06/834943406.db2.gz WUTAEENYECAJOH-UHFFFAOYSA-N -1 0 388.426 3.688 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cs1 ZINC000120282678 835060253 /nfs/dbraw/zinc/06/02/53/835060253.db2.gz ZNTBGJFYZAMYCB-UHFFFAOYSA-N -1 0 380.369 3.952 20 5 GHBDRM CSc1ccccc1S(=O)(=O)[N-]c1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000188469018 835883649 /nfs/dbraw/zinc/88/36/49/835883649.db2.gz GOVCZSNZHTZZRO-UHFFFAOYSA-N -1 0 390.446 3.508 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000431639825 835953227 /nfs/dbraw/zinc/95/32/27/835953227.db2.gz YYEKWASGTGKULM-LBPRGKRZSA-N -1 0 376.768 3.533 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1nc(C)c(Cl)cc1Cl ZINC000180209777 836692038 /nfs/dbraw/zinc/69/20/38/836692038.db2.gz QAKZJNTYBIOGBH-UHFFFAOYSA-N -1 0 376.221 3.714 20 5 GHBDRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000161580500 836860819 /nfs/dbraw/zinc/86/08/19/836860819.db2.gz NMFRCHMKYGVKDH-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000431212125 844232390 /nfs/dbraw/zinc/23/23/90/844232390.db2.gz SVNGOPHSWIWLQB-SUHUHFCYSA-N -1 0 398.868 3.585 20 5 GHBDRM CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000414019984 837141420 /nfs/dbraw/zinc/14/14/20/837141420.db2.gz NVNCGOUOCYKOIN-CQSZACIVSA-N -1 0 399.447 3.797 20 5 GHBDRM Cc1ccc(Br)c([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000121014501 837877302 /nfs/dbraw/zinc/87/73/02/837877302.db2.gz VVHPEWSVYVNFKC-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=[N+]([O-])c1cc(Nc2cc(F)c(I)cc2F)ccc1[O-] ZINC001210398023 838245664 /nfs/dbraw/zinc/24/56/64/838245664.db2.gz MUVPXIAKUIPGHK-UHFFFAOYSA-N -1 0 392.099 3.927 20 5 GHBDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C1CC1 ZINC000535685850 844307217 /nfs/dbraw/zinc/30/72/17/844307217.db2.gz LVJHMCGBUJBWDQ-GFCCVEGCSA-N -1 0 378.454 3.749 20 5 GHBDRM Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000189722996 838387023 /nfs/dbraw/zinc/38/70/23/838387023.db2.gz DYLRWBRQZDFVTE-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM CN1C(=O)/C(=C/c2ccc([N+](=O)[O-])c([O-])c2)c2cc(Br)ccc21 ZINC000748148584 838898636 /nfs/dbraw/zinc/89/86/36/838898636.db2.gz PUFAHHAGGMZQIQ-WUXMJOGZSA-N -1 0 375.178 3.580 20 5 GHBDRM C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000580390134 839466964 /nfs/dbraw/zinc/46/69/64/839466964.db2.gz DJTISIUFWMWPHE-NSHDSACASA-N -1 0 377.784 3.928 20 5 GHBDRM C[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000119917269 839980639 /nfs/dbraw/zinc/98/06/39/839980639.db2.gz BRFXNGFULXXVEG-LBPRGKRZSA-N -1 0 389.458 3.758 20 5 GHBDRM COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000105589391 841595917 /nfs/dbraw/zinc/59/59/17/841595917.db2.gz TYUBRIAPNLZQJJ-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)s1 ZINC000150788793 842891481 /nfs/dbraw/zinc/89/14/81/842891481.db2.gz VACIBFPPNMCKAK-UHFFFAOYSA-N -1 0 378.435 3.601 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O ZINC000541792422 843007487 /nfs/dbraw/zinc/00/74/87/843007487.db2.gz BWNUVIGCRPYVMV-UHFFFAOYSA-N -1 0 381.168 3.547 20 5 GHBDRM O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000151996957 843104584 /nfs/dbraw/zinc/10/45/84/843104584.db2.gz RFEMUWBFERMASR-MUUNZHRXSA-N -1 0 396.424 3.861 20 5 GHBDRM CC[C@H](c1nnc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])s1)c1ccccc1 ZINC000510676873 843182803 /nfs/dbraw/zinc/18/28/03/843182803.db2.gz BCGQNTNDQFDQCU-ZDUSSCGKSA-N -1 0 384.417 3.946 20 5 GHBDRM O=C(Nc1nnc([C@@H]2CCCc3ccccc32)s1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432613968 843298896 /nfs/dbraw/zinc/29/88/96/843298896.db2.gz DDLQCKXQNKGXMM-MRXNPFEDSA-N -1 0 396.428 3.872 20 5 GHBDRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCC(C)C ZINC000028498979 861413109 /nfs/dbraw/zinc/41/31/09/861413109.db2.gz KWCPQZZSKWPMPY-UHFFFAOYSA-N -1 0 393.465 3.862 20 5 GHBDRM CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cccc(Br)c1 ZINC000512954747 843520712 /nfs/dbraw/zinc/52/07/12/843520712.db2.gz JSCZLBKQUJTGAW-UHFFFAOYSA-N -1 0 393.237 3.771 20 5 GHBDRM O=C([O-])c1cc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000610847957 844657276 /nfs/dbraw/zinc/65/72/76/844657276.db2.gz QKOZGUIGCQBOLQ-UHFFFAOYSA-N -1 0 377.784 3.777 20 5 GHBDRM Cc1cc(F)cc(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)c1[N+](=O)[O-] ZINC000176228502 844703034 /nfs/dbraw/zinc/70/30/34/844703034.db2.gz QYSCDMYWSPSBQH-UHFFFAOYSA-N -1 0 390.371 3.876 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ncc(C)c(-c3ccccc3)n2)c1C ZINC000433164052 845549829 /nfs/dbraw/zinc/54/98/29/845549829.db2.gz PXUPJKVAZPBXHG-UHFFFAOYSA-N -1 0 398.444 3.778 20 5 GHBDRM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000512816519 845627961 /nfs/dbraw/zinc/62/79/61/845627961.db2.gz QYPKYOSIARSZQN-KRWDZBQOSA-N -1 0 380.404 3.647 20 5 GHBDRM C[C@@H]1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC000263024317 845776994 /nfs/dbraw/zinc/77/69/94/845776994.db2.gz QLSXJAMHRBBGJW-CZUORRHYSA-N -1 0 383.404 3.521 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000518949603 846272232 /nfs/dbraw/zinc/27/22/32/846272232.db2.gz PIKKGOUVAWFIOW-UHFFFAOYSA-N -1 0 394.412 3.939 20 5 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Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2csc(-c3ccncc3)n2)c1C ZINC000185967001 862086989 /nfs/dbraw/zinc/08/69/89/862086989.db2.gz OTOPPOZGJNFOLD-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM COc1cc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1C ZINC000435730677 850793736 /nfs/dbraw/zinc/79/37/36/850793736.db2.gz ZBAIEKNJIVNSHG-UHFFFAOYSA-N -1 0 387.417 3.569 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)c([N+](=O)[O-])c1 ZINC000505299901 850800526 /nfs/dbraw/zinc/80/05/26/850800526.db2.gz MEGBQKPRIPZJOF-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM CCOC(=O)c1cc2cc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])ccc2s1 ZINC000505337438 850833497 /nfs/dbraw/zinc/83/34/97/850833497.db2.gz ILKSLEOGHHMHKD-UHFFFAOYSA-N -1 0 386.385 3.944 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000436159056 851272707 /nfs/dbraw/zinc/27/27/07/851272707.db2.gz XYRIXZFCWPLDEP-UHFFFAOYSA-N -1 0 395.195 3.850 20 5 GHBDRM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000766043188 862230978 /nfs/dbraw/zinc/23/09/78/862230978.db2.gz PRBRAJLGGKMMCM-UHFFFAOYSA-N -1 0 376.221 3.714 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1c(-c2ccccc2)ncn1C1CC1 ZINC000604536945 862289241 /nfs/dbraw/zinc/28/92/41/862289241.db2.gz XYXBFKAJUVMKRF-UHFFFAOYSA-N -1 0 398.444 3.902 20 5 GHBDRM CCc1c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cnn1-c1ccc(Cl)cc1 ZINC000436592911 852078271 /nfs/dbraw/zinc/07/82/71/852078271.db2.gz ANMFQNQQESXDJR-UHFFFAOYSA-N -1 0 386.795 3.954 20 5 GHBDRM Cc1cc(Br)cc2c1CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])CC2 ZINC000436631050 852125371 /nfs/dbraw/zinc/12/53/71/852125371.db2.gz SBLBDPPPHPHKRQ-UHFFFAOYSA-N -1 0 391.221 3.570 20 5 GHBDRM O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506189744 852138072 /nfs/dbraw/zinc/13/80/72/852138072.db2.gz MUOBUMWYSMGQEK-MRXNPFEDSA-N -1 0 378.331 3.709 20 5 GHBDRM COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1OCc1ccncc1 ZINC000436675381 852181892 /nfs/dbraw/zinc/18/18/92/852181892.db2.gz VGYOBYZGCXLOJO-UHFFFAOYSA-N -1 0 395.371 3.535 20 5 GHBDRM COc1cc(-c2nc3ccccc3n2CCc2ccccn2)cc([N+](=O)[O-])c1[O-] ZINC000436740332 852259642 /nfs/dbraw/zinc/25/96/42/852259642.db2.gz QKNPEEALQDZLDQ-UHFFFAOYSA-N -1 0 390.399 3.963 20 5 GHBDRM O=C(NC1(Cc2ccccc2Br)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436790302 852347792 /nfs/dbraw/zinc/34/77/92/852347792.db2.gz GQKMHCHBXYJZIH-UHFFFAOYSA-N -1 0 391.221 3.568 20 5 GHBDRM O=C(NCC1(c2cccc(Br)c2)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436960633 852531816 /nfs/dbraw/zinc/53/18/16/852531816.db2.gz HPCWFYVKEHCUHE-UHFFFAOYSA-N -1 0 391.221 3.525 20 5 GHBDRM C[C@H]1c2cccc(Br)c2CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436960529 852532722 /nfs/dbraw/zinc/53/27/22/852532722.db2.gz QYVYPQXVLJMEEO-JTQLQIEISA-N -1 0 391.221 3.822 20 5 GHBDRM Cc1cc(Sc2ncccn2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436962627 852534152 /nfs/dbraw/zinc/53/41/52/852534152.db2.gz MJHJCLKHBZQCAC-UHFFFAOYSA-N -1 0 382.401 3.802 20 5 GHBDRM O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1)c1ccccc1 ZINC000436953057 852542599 /nfs/dbraw/zinc/54/25/99/852542599.db2.gz ZWGUATDKZBUNMV-UHFFFAOYSA-N -1 0 377.356 3.805 20 5 GHBDRM O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436955833 852546443 /nfs/dbraw/zinc/54/64/43/852546443.db2.gz IYKQJAUNXJXOED-UHFFFAOYSA-N -1 0 393.852 3.759 20 5 GHBDRM COCCSc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436982831 852571845 /nfs/dbraw/zinc/57/18/45/852571845.db2.gz YUQVCBQSOCTLHF-GFCCVEGCSA-N -1 0 376.434 3.530 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(Oc2ccccn2)c1 ZINC000438720807 852776006 /nfs/dbraw/zinc/77/60/06/852776006.db2.gz YPRVQSCVEMSOTN-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507300766 852777562 /nfs/dbraw/zinc/77/75/62/852777562.db2.gz JEVGRSHOSRSJME-UHFFFAOYSA-N -1 0 380.404 3.540 20 5 GHBDRM CC(C)(C)n1cc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cn1 ZINC000438777688 852843354 /nfs/dbraw/zinc/84/33/54/852843354.db2.gz PRKFHGJBAFPIEO-UHFFFAOYSA-N -1 0 393.252 3.654 20 5 GHBDRM CCC(CC)c1nnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)s1 ZINC000437190208 852849571 /nfs/dbraw/zinc/84/95/71/852849571.db2.gz XBKJRBNWUQZJNM-UHFFFAOYSA-N -1 0 384.483 3.768 20 5 GHBDRM O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000437410109 853103689 /nfs/dbraw/zinc/10/36/89/853103689.db2.gz XUCKQDAIWXMPLD-MQMHXKEQSA-N -1 0 380.322 3.995 20 5 GHBDRM COc1cc([C@H](C)Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])ccc1OCC(C)C ZINC000519652050 853358290 /nfs/dbraw/zinc/35/82/90/853358290.db2.gz OAUMACAKYWGKEU-LBPRGKRZSA-N -1 0 389.408 3.905 20 5 GHBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(F)c(Br)c1 ZINC000507736269 853925448 /nfs/dbraw/zinc/92/54/48/853925448.db2.gz WBLSAIRTHPCJBV-MRVPVSSYSA-N -1 0 383.173 3.693 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc2cc(Br)ccc2[nH]1 ZINC000536311864 854734354 /nfs/dbraw/zinc/73/43/54/854734354.db2.gz 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CC(C)c1nccn1Cc1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000164263969 862743604 /nfs/dbraw/zinc/74/36/04/862743604.db2.gz JMEITGZUFKBOGE-UHFFFAOYSA-N -1 0 380.404 3.921 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c2ncccc12 ZINC000184806549 856057592 /nfs/dbraw/zinc/05/75/92/856057592.db2.gz MAYFJIDVNOWYHT-UHFFFAOYSA-N -1 0 386.414 3.554 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c2ncccc12 ZINC000184812756 856076606 /nfs/dbraw/zinc/07/66/06/856076606.db2.gz QOBZVUMJSGRZED-UHFFFAOYSA-N -1 0 396.384 3.599 20 5 GHBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000427642735 856363909 /nfs/dbraw/zinc/36/39/09/856363909.db2.gz SOIOCOPXTGFSSR-UHFFFAOYSA-N -1 0 381.797 3.807 20 5 GHBDRM COc1cc(CNc2cccc(-c3ccc4c(c3)CCO4)n2)cc([N+](=O)[O-])c1[O-] ZINC000466615740 862811837 /nfs/dbraw/zinc/81/18/37/862811837.db2.gz JMLJVDXXBCMUOX-UHFFFAOYSA-N -1 0 393.399 3.918 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000172901657 856651579 /nfs/dbraw/zinc/65/15/79/856651579.db2.gz BKOGNRCFFHQRGN-UHFFFAOYSA-N -1 0 390.339 3.509 20 5 GHBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000509212134 862839226 /nfs/dbraw/zinc/83/92/26/862839226.db2.gz PLFPSAXJGVCXDQ-UHFFFAOYSA-N -1 0 387.421 3.571 20 5 GHBDRM C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[C@H]1C(=O)[O-] ZINC000592467344 856885426 /nfs/dbraw/zinc/88/54/26/856885426.db2.gz MUOGMNHPBAUNNP-MLGOLLRUSA-N -1 0 392.477 3.812 20 5 GHBDRM O=C([O-])c1ccccc1CC1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000592980486 857146834 /nfs/dbraw/zinc/14/68/34/857146834.db2.gz KKQGOGAFKAGNSG-UHFFFAOYSA-N -1 0 392.415 3.695 20 5 GHBDRM Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Br ZINC000486118892 857448466 /nfs/dbraw/zinc/44/84/66/857448466.db2.gz JDSOEKIJOZIZQL-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM CCN(c1ccc(Cl)cc1F)S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000442225704 857618083 /nfs/dbraw/zinc/61/80/83/857618083.db2.gz 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CC(C)(C)c1csc([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])n1 ZINC000594718723 858262674 /nfs/dbraw/zinc/26/26/74/858262674.db2.gz BFMXOUFTHICSRY-UHFFFAOYSA-N -1 0 392.462 3.698 20 5 GHBDRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000594729845 858267061 /nfs/dbraw/zinc/26/70/61/858267061.db2.gz XBSKRCWVEHUXML-UHFFFAOYSA-N -1 0 389.355 3.680 20 5 GHBDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC000184967102 858761559 /nfs/dbraw/zinc/76/15/59/858761559.db2.gz RVJLTBXPGBELNB-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c2ncccc12 ZINC000509219354 863060727 /nfs/dbraw/zinc/06/07/27/863060727.db2.gz SACZKUUCPMHVQY-UHFFFAOYSA-N -1 0 387.417 3.569 20 5 GHBDRM Cc1c(Br)c(N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)ncc1[N+](=O)[O-] ZINC000593328157 859425957 /nfs/dbraw/zinc/42/59/57/859425957.db2.gz QQYJULNEZGHJEW-VXGBXAGGSA-N -1 0 392.209 3.786 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(F)c(Br)c1 ZINC000317791772 859633973 /nfs/dbraw/zinc/63/39/73/859633973.db2.gz XMKDGGNCOHZVAK-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000555315581 860446462 /nfs/dbraw/zinc/44/64/62/860446462.db2.gz LHEJVUFZZZBSJB-IAGOWNOFSA-N -1 0 383.231 3.697 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1(c2cc(F)cc(Br)c2)CC1 ZINC000552399370 860522253 /nfs/dbraw/zinc/52/22/53/860522253.db2.gz MCASZBYVXQWKOP-UHFFFAOYSA-N -1 0 395.184 3.872 20 5 GHBDRM COc1cc(Br)ccc1[C@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000555460648 860952601 /nfs/dbraw/zinc/95/26/01/860952601.db2.gz AGJOMGLLYBWGOK-JTQLQIEISA-N -1 0 381.226 3.922 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000555462601 860958939 /nfs/dbraw/zinc/95/89/39/860958939.db2.gz SHRXIFQCUZCJTD-AWEZNQCLSA-N -1 0 390.745 3.796 20 5 GHBDRM CCn1c2ccccc2nc1[C@H]1CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593733919 861083285 /nfs/dbraw/zinc/08/32/85/861083285.db2.gz DWUDKRPIMUCAPE-LJQANCHMSA-N -1 0 394.431 4.000 20 5 GHBDRM O=C([O-])[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)Cc2ccccc21 ZINC000593743486 861133956 /nfs/dbraw/zinc/13/39/56/861133956.db2.gz DZTVEOSTYUBXFU-HNNXBMFYSA-N -1 0 380.322 3.798 20 5 GHBDRM CC(C)CCn1ccc(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])n1 ZINC000302033890 861180378 /nfs/dbraw/zinc/18/03/78/861180378.db2.gz OLVKQBNGCOPCJI-UHFFFAOYSA-N -1 0 388.396 3.577 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(Oc2ccccn2)cc1 ZINC000733774141 863157558 /nfs/dbraw/zinc/15/75/58/863157558.db2.gz JIHJQDJLDNKADO-UHFFFAOYSA-N -1 0 389.364 3.722 20 5 GHBDRM Cc1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 ZINC000160099473 863321123 /nfs/dbraw/zinc/32/11/23/863321123.db2.gz ZWLMWNXZDHHTHD-UHFFFAOYSA-N -1 0 381.344 3.706 20 5 GHBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455934284 863799069 /nfs/dbraw/zinc/79/90/69/863799069.db2.gz VGSVCUQVTYETOO-RDJZCZTQSA-N -1 0 384.432 3.582 20 5 GHBDRM 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GHBDRM Cc1ccc(C[C@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])c2ccccn2)cc1 ZINC000537220047 894585293 /nfs/dbraw/zinc/58/52/93/894585293.db2.gz NECCNJJPEQDRTD-SFHVURJKSA-N -1 0 377.400 3.718 20 5 GHBDRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778406821 894895324 /nfs/dbraw/zinc/89/53/24/894895324.db2.gz BLZDUEIWYOLPQT-UHFFFAOYSA-N -1 0 385.188 3.864 20 5 GHBDRM Cc1cc(N2CCC(c3nc4ccccc4[nH]3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565306483 895521685 /nfs/dbraw/zinc/52/16/85/895521685.db2.gz AZOWNPZOWAFCLI-UHFFFAOYSA-N -1 0 380.404 3.862 20 5 GHBDRM CC[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc2c(c1)OCCO2 ZINC001136342874 897353172 /nfs/dbraw/zinc/35/31/72/897353172.db2.gz GHQPNPUDUDPJSY-ZDUSSCGKSA-N -1 0 392.795 3.606 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2ccc3oc(CO)cc3c2)c1 ZINC000821111994 897714477 /nfs/dbraw/zinc/71/44/77/897714477.db2.gz XJEGYZAMPADWMB-UHFFFAOYSA-N -1 0 396.808 3.596 20 5 GHBDRM 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O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)n[nH]2)c1 ZINC000573639107 900583076 /nfs/dbraw/zinc/58/30/76/900583076.db2.gz PQMBHHOLIPEQED-UHFFFAOYSA-N -1 0 394.359 3.723 20 5 GHBDRM O=C([O-])Cc1ccc(N2CC[C@@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000844210663 900603563 /nfs/dbraw/zinc/60/35/63/900603563.db2.gz XVYRPSQAZYWVRC-OAHLLOKOSA-N -1 0 376.796 3.533 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(C2CCOCC2)c1 ZINC000600663010 902794947 /nfs/dbraw/zinc/79/49/47/902794947.db2.gz ZSLPZHJHJKDFQU-UHFFFAOYSA-N -1 0 376.434 3.598 20 5 GHBDRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600879104 903040204 /nfs/dbraw/zinc/04/02/04/903040204.db2.gz VNYCIVUJZVSSHG-BUXKBTBVSA-N -1 0 390.823 3.543 20 5 GHBDRM Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3[O-])cc2)n1 ZINC001147119448 903690356 /nfs/dbraw/zinc/69/03/56/903690356.db2.gz MHMNBAKULKGUCI-AWEZNQCLSA-N -1 0 380.404 3.594 20 5 GHBDRM O=C(Nc1c(-c2ccccc2)nc2n1CCCC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001147860022 903899900 /nfs/dbraw/zinc/89/99/00/903899900.db2.gz NVPFXGCUIXZDFC-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000103676075 904501849 /nfs/dbraw/zinc/50/18/49/904501849.db2.gz QNVFABZJRUEPMP-LBPRGKRZSA-N -1 0 396.852 3.637 20 5 GHBDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000773273942 904644566 /nfs/dbraw/zinc/64/45/66/904644566.db2.gz JMZNEXIREJKJSX-UHFFFAOYSA-N -1 0 386.426 3.574 20 5 GHBDRM O=C([O-])c1ccc(Nc2ccc(N3CCSCC3)c(F)c2)cc1[N+](=O)[O-] ZINC001174505268 907081014 /nfs/dbraw/zinc/08/10/14/907081014.db2.gz SDKYAZKLFSDSDU-UHFFFAOYSA-N -1 0 377.397 3.729 20 5 GHBDRM Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4cc([N+](=O)[O-])ccc4[O-])C3)nc2c1 ZINC000182149304 907146029 /nfs/dbraw/zinc/14/60/29/907146029.db2.gz GSPJCFXDDRCOEY-CYBMUJFWSA-N -1 0 380.404 3.505 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Br)s1 ZINC000191862884 907281784 /nfs/dbraw/zinc/28/17/84/907281784.db2.gz GJXBGGZBIVLEGF-UHFFFAOYSA-N -1 0 397.659 3.873 20 5 GHBDRM Cc1cc(C(=O)NCc2ccco2)ccc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176680619 908207692 /nfs/dbraw/zinc/20/76/92/908207692.db2.gz VXOQGVCYHJKWCO-UHFFFAOYSA-N -1 0 395.371 3.868 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccccc1NCC(F)(F)F ZINC000194127323 908860098 /nfs/dbraw/zinc/86/00/98/908860098.db2.gz JYEDLKRUPFYDRD-UHFFFAOYSA-N -1 0 393.318 3.509 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2cccc(OCCF)c2)c1 ZINC000795334753 909965636 /nfs/dbraw/zinc/96/56/36/909965636.db2.gz LERMCAMUXJSJIQ-UHFFFAOYSA-N -1 0 392.767 3.536 20 5 GHBDRM CC(=O)c1cc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)ccc1F ZINC000795365787 910067534 /nfs/dbraw/zinc/06/75/34/910067534.db2.gz DDQZCNYPRJNTMD-UHFFFAOYSA-N -1 0 386.788 3.699 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000269167269 910168565 /nfs/dbraw/zinc/16/85/65/910168565.db2.gz 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Cc1ccc([C@@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C(F)(F)F)o1 ZINC001191856681 918238655 /nfs/dbraw/zinc/23/86/55/918238655.db2.gz OEXVVLLKGXVYBY-CQSZACIVSA-N -1 0 392.355 3.695 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)cc1[N+](=O)[O-] ZINC000119374908 919623898 /nfs/dbraw/zinc/62/38/98/919623898.db2.gz YSRPZJHMYXJEJE-UHFFFAOYSA-N -1 0 379.419 3.729 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ncc(Cc3cccc(F)c3)s2)cs1 ZINC000119984597 919675107 /nfs/dbraw/zinc/67/51/07/919675107.db2.gz JKINLUIRABIVKV-UHFFFAOYSA-N -1 0 399.450 3.644 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)c(Cl)n1 ZINC000800836649 920510657 /nfs/dbraw/zinc/51/06/57/920510657.db2.gz PRPLSNPQQJCQAI-UHFFFAOYSA-N -1 0 376.221 3.714 20 5 GHBDRM Cc1nc(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000367698128 922272210 /nfs/dbraw/zinc/27/22/10/922272210.db2.gz NVBVLAGYRLSGOU-UHFFFAOYSA-N -1 0 387.779 3.847 20 5 GHBDRM O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000803066994 922646369 /nfs/dbraw/zinc/64/63/69/922646369.db2.gz UYAOJIMCDZHHTE-UHFFFAOYSA-N -1 0 377.347 3.821 20 5 GHBDRM COc1cccc(C(OC(=O)c2ccc([N+](=O)[O-])[n-]2)c2cccc(OC)c2)c1 ZINC000749065570 924010421 /nfs/dbraw/zinc/01/04/21/924010421.db2.gz LCAQHIAQJFIAPN-UHFFFAOYSA-N -1 0 382.372 3.887 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000752196639 928675966 /nfs/dbraw/zinc/67/59/66/928675966.db2.gz YPGDXVVKQYEUHM-UHFFFAOYSA-N -1 0 395.868 3.958 20 5 GHBDRM COC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1 ZINC000753065243 929188162 /nfs/dbraw/zinc/18/81/62/929188162.db2.gz CQZFSOMZDAXSRD-UHFFFAOYSA-N -1 0 399.812 3.536 20 5 GHBDRM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000753602307 929441771 /nfs/dbraw/zinc/44/17/71/929441771.db2.gz XAVCOWATVAPNKE-UHFFFAOYSA-N -1 0 394.474 3.559 20 5 GHBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O ZINC000758165050 929956357 /nfs/dbraw/zinc/95/63/57/929956357.db2.gz 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Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc3c(s2)C[C@@H](C)CC3)cc1C ZINC001115965460 933261520 /nfs/dbraw/zinc/26/15/20/933261520.db2.gz OFYKZDQOWLZXEC-VIFPVBQESA-N -1 0 381.479 3.594 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(Cl)nc(N2CCCC2)c1 ZINC000777771113 933352296 /nfs/dbraw/zinc/35/22/96/933352296.db2.gz INHJFERPEFQXEP-UHFFFAOYSA-N -1 0 397.218 3.855 20 5 GHBDRM CC(C)(C)CC[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C(=O)[O-] ZINC001602861512 971722087 /nfs/dbraw/zinc/72/20/87/971722087.db2.gz ZVYRSTVJDFMJQH-JTQLQIEISA-N -1 0 376.331 3.623 20 5 GHBDRM Cc1ccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)cc1[N+](=O)[O-] ZINC001594361515 958454402 /nfs/dbraw/zinc/45/44/02/958454402.db2.gz SOJGMLVHIVFTMQ-UHFFFAOYSA-N -1 0 381.747 3.716 20 5 GHBDRM COc1ccc(NC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC001594104942 958459363 /nfs/dbraw/zinc/45/93/63/958459363.db2.gz CQVAOLZTAYLJBS-UHFFFAOYSA-N -1 0 399.403 3.713 20 5 GHBDRM CC(C)OC(=O)NCc1ccc(NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001591682490 975476277 /nfs/dbraw/zinc/47/62/77/975476277.db2.gz QOTQXYPNCSQSLW-UHFFFAOYSA-N -1 0 387.392 3.540 20 5 GHBDRM CC(C)Oc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC001591781191 975952572 /nfs/dbraw/zinc/95/25/72/975952572.db2.gz VLNYPTLPUQQDLJ-HOTGVXAUSA-N -1 0 384.388 3.822 20 5 GHBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001591791140 975980669 /nfs/dbraw/zinc/98/06/69/975980669.db2.gz LNBSFJORDGLRMV-UHFFFAOYSA-N -1 0 376.321 3.567 20 5 GHBDRM C[C@@H](CCCc1ccccc1)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001592491826 978284705 /nfs/dbraw/zinc/28/47/05/978284705.db2.gz NRZGXMNSBAMQFE-BTYIYWSLSA-N -1 0 384.432 3.670 20 5 GHBDRM C[C@](CNc1cccc(Br)c1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001592730799 979251295 /nfs/dbraw/zinc/25/12/95/979251295.db2.gz WTRRDAMPELWWQQ-MRXNPFEDSA-N -1 0 379.210 3.812 20 5 GHBDRM C[C@@](CO)(NCc1ccc(-c2ccccc2C(=O)[O-])o1)c1cccc([N+](=O)[O-])c1 ZINC001592751249 979322654 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O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccccc1Oc1ccncc1 ZINC001318423465 1054629565 /nfs/dbraw/zinc/62/95/65/1054629565.db2.gz APURZWRCBLROLH-UHFFFAOYSA-N -1 0 389.364 3.722 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC001319045311 1055007290 /nfs/dbraw/zinc/00/72/90/1055007290.db2.gz WPKZILGHAGGJEZ-UHFFFAOYSA-N -1 0 382.467 3.603 20 5 GHBDRM Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2cc([O-])cc([N+](=O)[O-])c2)cs1 ZINC001324103679 1057070849 /nfs/dbraw/zinc/07/08/49/1057070849.db2.gz VELFUNKUXPZAQK-UHFFFAOYSA-N -1 0 381.413 3.935 20 5 GHBDRM CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(OC)c(OC)c1 ZINC001441090383 1058702570 /nfs/dbraw/zinc/70/25/70/1058702570.db2.gz QJQQIOVLCQFAMC-UHFFFAOYSA-N -1 0 380.784 3.638 20 5 GHBDRM CC(C)(c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])s1)c1ccccc1 ZINC001441117965 1058709580 /nfs/dbraw/zinc/70/95/80/1058709580.db2.gz UGLMEAPWAOFGOP-UHFFFAOYSA-N -1 0 384.417 3.730 20 5 GHBDRM CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001446824368 1059872399 /nfs/dbraw/zinc/87/23/99/1059872399.db2.gz MQOFRHVKXJNJDZ-XXFAHNHDSA-N -1 0 382.775 3.599 20 5 GHBDRM O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cccc([N+](=O)[O-])c1[O-] ZINC001463858847 1064674668 /nfs/dbraw/zinc/67/46/68/1064674668.db2.gz YCFPZLSUGFYZKH-UHFFFAOYSA-N -1 0 384.417 3.763 20 5 GHBDRM O=C(NCCCCOCc1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001464606355 1065107040 /nfs/dbraw/zinc/10/70/40/1065107040.db2.gz AIAIPCALSLYAOP-UHFFFAOYSA-N -1 0 378.812 3.681 20 5 GHBDRM O=C(N[C@H]1CCc2c1ccc(F)c2Br)c1ccc([N+](=O)[O-])cc1[O-] ZINC001468164105 1067616133 /nfs/dbraw/zinc/61/61/33/1067616133.db2.gz UJFNQYWFMWCDDK-ZDUSSCGKSA-N -1 0 395.184 3.619 20 5 GHBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001468266999 1067660085 /nfs/dbraw/zinc/66/00/85/1067660085.db2.gz MWSJPFGHZHRAAB-ZETCQYMHSA-N -1 0 395.202 3.975 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001469927104 1068474810 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Cc1ccc(C(=O)[O-])cc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000738525585 600248909 /nfs/dbraw/zinc/24/89/09/600248909.db2.gz MBDMKQSTRNBQDJ-UHFFFAOYSA-N -1 0 378.768 3.662 20 5 GHBDRM O=C([O-])c1cc(F)ccc1COC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000739251585 600267645 /nfs/dbraw/zinc/26/76/45/600267645.db2.gz PIZGQVWNAFHYRW-UHFFFAOYSA-N -1 0 397.742 3.598 20 5 GHBDRM COC(=O)/C=C\c1ccc(Nc2ccc(CN(C)C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000737599680 600312951 /nfs/dbraw/zinc/31/29/51/600312951.db2.gz XFRBUBABDRBWFV-POHAHGRESA-N -1 0 385.376 3.634 20 5 GHBDRM COC(=O)C=Cc1ccc(NCCc2ccc(NC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000737600184 600364256 /nfs/dbraw/zinc/36/42/56/600364256.db2.gz YZMOYIGYMLLOLP-UITAMQMPSA-N -1 0 385.376 3.526 20 5 GHBDRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000736649788 600408230 /nfs/dbraw/zinc/40/82/30/600408230.db2.gz WBLVGYCQKYERGN-SECBINFHSA-N -1 0 395.318 3.777 20 5 GHBDRM CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000736271744 600503792 /nfs/dbraw/zinc/50/37/92/600503792.db2.gz CAMYWDIUVCUJLO-LEJCZOIISA-N -1 0 391.424 3.504 20 5 GHBDRM C[C@H](CC(=O)[O-])S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000736551409 600591355 /nfs/dbraw/zinc/59/13/55/600591355.db2.gz KKPXQYXSCZUXOH-HTQZYQBOSA-N -1 0 380.344 3.537 20 5 GHBDRM Cc1cccc(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])c1[N+](=O)[O-] ZINC000486373242 600601598 /nfs/dbraw/zinc/60/15/98/600601598.db2.gz IFAUATGCSAKNBN-QGZVFWFLSA-N -1 0 392.411 3.730 20 5 GHBDRM O=C([O-])c1cc(NCc2cc(F)ccc2[N+](=O)[O-])c(Br)cc1F ZINC000740088591 600679519 /nfs/dbraw/zinc/67/95/19/600679519.db2.gz LEHMWIZJDSSKLD-UHFFFAOYSA-N -1 0 387.136 3.946 20 5 GHBDRM C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000191626285 600980862 /nfs/dbraw/zinc/98/08/62/600980862.db2.gz FNMKIGSEQQOZOM-ZDUSSCGKSA-N -1 0 391.383 3.846 20 5 GHBDRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000833177796 601095389 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TUANFRLUOFTZMX-UHFFFAOYSA-N -1 0 398.853 3.511 20 5 GHBDRM O=C([O-])[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000521342408 857887157 /nfs/dbraw/zinc/88/71/57/857887157.db2.gz CXRHBCOXPKJERT-CYBMUJFWSA-N -1 0 384.175 3.849 20 5 GHBDRM Cc1ccc(C)c(OC2CCN(c3nc(C)cc(C(=O)[O-])c3[N+](=O)[O-])CC2)c1 ZINC000574640832 858127647 /nfs/dbraw/zinc/12/76/47/858127647.db2.gz NJYHMNXAUYPIOJ-UHFFFAOYSA-N -1 0 385.420 3.661 20 5 GHBDRM CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C(=O)[O-] ZINC000594468048 858198967 /nfs/dbraw/zinc/19/89/67/858198967.db2.gz PLCZJBIFRRPQLC-INIZCTEOSA-N -1 0 388.445 3.833 20 5 GHBDRM COCc1nc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(-c2ccccc2)s1 ZINC000442891097 858211294 /nfs/dbraw/zinc/21/12/94/858211294.db2.gz LXQUPSFDQIOLPN-UHFFFAOYSA-N -1 0 385.401 3.823 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1ccccc1OCc1cccnc1 ZINC000255898223 858348690 /nfs/dbraw/zinc/34/86/90/858348690.db2.gz QPRKTQKPWWOUCV-FPLPWBNLSA-N -1 0 377.356 3.832 20 5 GHBDRM CCCCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1CCc2ncsc2C1 ZINC000592902314 858371560 /nfs/dbraw/zinc/37/15/60/858371560.db2.gz PLGGEHKGNOVFRL-LBPRGKRZSA-N -1 0 375.450 3.557 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cc2c(cccc2Br)[nH]1 ZINC000483447034 859364800 /nfs/dbraw/zinc/36/48/00/859364800.db2.gz RTWRQYWKYIUXAG-UHFFFAOYSA-N -1 0 376.166 3.797 20 5 GHBDRM O=C(CCc1cc(F)ccc1Br)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000483434601 859370325 /nfs/dbraw/zinc/37/03/25/859370325.db2.gz OINLNQBVCMIMRT-UHFFFAOYSA-N -1 0 383.173 3.773 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2ccc(Oc3cccnc3)cc2)cc([N+](=O)[O-])c1 ZINC000740089437 859574367 /nfs/dbraw/zinc/57/43/67/859574367.db2.gz VXQNITMJZMMZFV-UHFFFAOYSA-N -1 0 379.328 3.733 20 5 GHBDRM COc1ccc(CN=c2[n-]nc(Sc3sccc3[N+](=O)[O-])s2)cc1 ZINC000611411354 859745274 /nfs/dbraw/zinc/74/52/74/859745274.db2.gz KRXNALZZHUFOBO-UHFFFAOYSA-N -1 0 380.476 3.702 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)c1C ZINC000765038891 859758503 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FKWBABYUQLCYOC-UHFFFAOYSA-N -1 0 398.394 3.534 20 5 GHBDRM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446989356 870819647 /nfs/dbraw/zinc/81/96/47/870819647.db2.gz LYZZFXWQBQDQFS-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000595243456 870882270 /nfs/dbraw/zinc/88/22/70/870882270.db2.gz FKGDQDGBWBHDJU-HLLBOEOZSA-N -1 0 388.464 3.998 20 5 GHBDRM CCC(CC)(CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC000447129887 871083523 /nfs/dbraw/zinc/08/35/23/871083523.db2.gz SSIGIOQUMIKZND-UHFFFAOYSA-N -1 0 376.331 3.511 20 5 GHBDRM Cc1nc(-c2ccccc2)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000539110439 871326060 /nfs/dbraw/zinc/32/60/60/871326060.db2.gz MGLSWLWMFQPTPY-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1-c1ccncc1 ZINC000794060538 882552319 /nfs/dbraw/zinc/55/23/19/882552319.db2.gz PCTGNUXVURAXAZ-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM Cc1[nH]c2c(cc(C)cc2CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C ZINC000540666441 871872239 /nfs/dbraw/zinc/87/22/39/871872239.db2.gz DKOSUZGXVPSUQF-UHFFFAOYSA-N -1 0 381.388 3.630 20 5 GHBDRM CCOc1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1OCC ZINC000055564168 871910951 /nfs/dbraw/zinc/91/09/51/871910951.db2.gz SQUAAFUOPCAVLE-UHFFFAOYSA-N -1 0 380.422 3.501 20 5 GHBDRM COc1ccc(-c2nc(/C=C\c3ncc([N+](=O)[O-])cc3C(=O)[O-])cs2)cc1 ZINC000619522109 872722996 /nfs/dbraw/zinc/72/29/96/872722996.db2.gz XCKRDSHACZCGQT-DAXSKMNVSA-N -1 0 383.385 3.991 20 5 GHBDRM COc1cc(/C=C\c2nc(-c3ccccc3)ncc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000443446855 872753515 /nfs/dbraw/zinc/75/35/15/872753515.db2.gz UZRIGVXORQHYPX-CLFYSBASSA-N -1 0 377.356 3.929 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000768627722 873421530 /nfs/dbraw/zinc/42/15/30/873421530.db2.gz VGNXBJZTFOAWTH-GFCCVEGCSA-N -1 0 380.322 3.949 20 5 GHBDRM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2O)cc1[N+](=O)[O-] ZINC000443526814 873506850 /nfs/dbraw/zinc/50/68/50/873506850.db2.gz DPXBNWXMKGLEEE-UHFFFAOYSA-N -1 0 398.412 3.546 20 5 GHBDRM COc1cccc(CS(=O)(=O)[N-]c2cccc3nc4ccccc4nc23)c1 ZINC001197382481 873753668 /nfs/dbraw/zinc/75/36/68/873753668.db2.gz FLQQZZRJWDVYMI-UHFFFAOYSA-N -1 0 379.441 3.734 20 5 GHBDRM O=C(Nc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1)c1cccs1 ZINC000770464937 874698877 /nfs/dbraw/zinc/69/88/77/874698877.db2.gz CXOBMTDSSYYGCB-UHFFFAOYSA-N -1 0 384.369 3.833 20 5 GHBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(OCc2cccnc2)cc1 ZINC000542199081 875129594 /nfs/dbraw/zinc/12/95/94/875129594.db2.gz KYEVWGOFVJWAJB-AWEZNQCLSA-N -1 0 393.399 3.765 20 5 GHBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(OCc2cccnc2)cc1 ZINC000542198857 875130754 /nfs/dbraw/zinc/13/07/54/875130754.db2.gz ABZZOAFIGOYSHZ-CQSZACIVSA-N -1 0 393.399 3.765 20 5 GHBDRM Cc1cc(C)c(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000491855978 875990125 /nfs/dbraw/zinc/99/01/25/875990125.db2.gz YXYBYUXPNRMTTO-LLVKDONJSA-N -1 0 392.433 3.591 20 5 GHBDRM O=C([O-])CCCCCCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000271962579 876527739 /nfs/dbraw/zinc/52/77/39/876527739.db2.gz NFCHKCZJFWFMRF-UHFFFAOYSA-N -1 0 376.331 3.769 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2nc(CC(F)(F)F)cs2)c1 ZINC000451053813 877286969 /nfs/dbraw/zinc/28/69/69/877286969.db2.gz FQNBPTRDTMNJCS-UHFFFAOYSA-N -1 0 395.384 3.574 20 5 GHBDRM CCCCCc1nnc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])s1 ZINC000152343340 877657836 /nfs/dbraw/zinc/65/78/36/877657836.db2.gz JBGVFHCCRKWERS-UHFFFAOYSA-N -1 0 384.483 3.597 20 5 GHBDRM O=C([O-])Cc1ccc(N2CCC3(C=Cc4ccccc4O3)CC2)c([N+](=O)[O-])c1 ZINC000851705935 877870983 /nfs/dbraw/zinc/87/09/83/877870983.db2.gz ZMKYLGMDJVTSRA-UHFFFAOYSA-N -1 0 380.400 3.667 20 5 GHBDRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1 ZINC000789482676 879007353 /nfs/dbraw/zinc/00/73/53/879007353.db2.gz MPWUVJGRUDETSS-HNNXBMFYSA-N 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Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2c(C)cccc2OC(F)F)c1F ZINC000760356739 883995206 /nfs/dbraw/zinc/99/52/06/883995206.db2.gz RPMPHBYRUDQCGB-UHFFFAOYSA-N -1 0 390.339 3.753 20 5 GHBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000263207120 884413231 /nfs/dbraw/zinc/41/32/31/884413231.db2.gz KWQYQYYZAYWFEY-FQEVSTJZSA-N -1 0 384.388 3.714 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(Cc3cc(F)cc(Br)c3)no2)cc1[O-] ZINC000508651412 884649327 /nfs/dbraw/zinc/64/93/27/884649327.db2.gz NGULXPXIIGQZJW-UHFFFAOYSA-N -1 0 394.156 3.843 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nnc(C[C@@H](C)CC(C)(C)C)o1 ZINC000194881896 885300951 /nfs/dbraw/zinc/30/09/51/885300951.db2.gz BNBDPZZUJJVBCE-LLVKDONJSA-N -1 0 396.469 3.702 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccnc1OCc1ccccc1 ZINC000609218893 885448714 /nfs/dbraw/zinc/44/87/14/885448714.db2.gz JPYAYUZMCLLKNZ-UHFFFAOYSA-N -1 0 399.428 3.678 20 5 GHBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)ccc1F ZINC000808069433 885973114 /nfs/dbraw/zinc/97/31/14/885973114.db2.gz WUGSDIMGSAXRKS-UHFFFAOYSA-N -1 0 398.265 3.572 20 5 GHBDRM O=C([O-])Cc1ccc(N2CCc3cccc(C(F)(F)F)c3C2)c([N+](=O)[O-])c1 ZINC000863480032 887141954 /nfs/dbraw/zinc/14/19/54/887141954.db2.gz AOXRQXFSRGWOKN-UHFFFAOYSA-N -1 0 380.322 3.803 20 5 GHBDRM COc1ccnc2c([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cccc12 ZINC000536609741 887583150 /nfs/dbraw/zinc/58/31/50/887583150.db2.gz PHILBZOUHXAFKH-UHFFFAOYSA-N -1 0 387.417 3.569 20 5 GHBDRM O=C([N-]c1nnc(Cc2ccccc2)s1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000763373984 889002601 /nfs/dbraw/zinc/00/26/01/889002601.db2.gz OEXJLPKYVGKQAE-UHFFFAOYSA-N -1 0 376.344 3.568 20 5 GHBDRM CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])ccc21 ZINC000777277485 889778025 /nfs/dbraw/zinc/77/80/25/889778025.db2.gz OIROEULDQBAGML-UHFFFAOYSA-N -1 0 399.403 3.850 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1-c1ccccc1 ZINC000811833753 890017293 /nfs/dbraw/zinc/01/72/93/890017293.db2.gz QSFIJPRCGLOEAV-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM O=C([O-])/C=C\c1ccc(NCc2ccnc(OCC(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000917066107 890942689 /nfs/dbraw/zinc/94/26/89/890942689.db2.gz UJLSKKGCKNLGOU-RQOWECAXSA-N -1 0 397.309 3.641 20 5 GHBDRM Cc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1NC(=O)c1ccncc1 ZINC000508693509 892649200 /nfs/dbraw/zinc/64/92/00/892649200.db2.gz JUDXVDDSGMUTNF-UHFFFAOYSA-N -1 0 392.371 3.508 20 5 GHBDRM Cc1sc([C@@H]2CCCN2c2ccc3cc([N+](=O)[O-])ccc3n2)nc1C(=O)[O-] ZINC000566298206 896224754 /nfs/dbraw/zinc/22/47/54/896224754.db2.gz XPUDMENCLZRDOZ-AWEZNQCLSA-N -1 0 384.417 3.948 20 5 GHBDRM CCCCOc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1OC ZINC001136289686 897101782 /nfs/dbraw/zinc/10/17/82/897101782.db2.gz NIJFYXWQRNRTLW-CYBMUJFWSA-N -1 0 388.420 3.979 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(Cl)sc3c2)ccc1[N+](=O)[O-] ZINC000821096245 897741219 /nfs/dbraw/zinc/74/12/19/897741219.db2.gz GMKKVFYONRKIRV-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000133291547 898283894 /nfs/dbraw/zinc/28/38/94/898283894.db2.gz QFNJXUOVGQYASE-UHFFFAOYSA-N -1 0 393.852 3.759 20 5 GHBDRM O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000569461190 898684098 /nfs/dbraw/zinc/68/40/98/898684098.db2.gz VOAWSXHXINVHDV-GXTWGEPZSA-N -1 0 380.404 3.633 20 5 GHBDRM COc1ccc(C)cc1-c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC001136666020 898813369 /nfs/dbraw/zinc/81/33/69/898813369.db2.gz LHSMAFMOEIGBQI-UHFFFAOYSA-N -1 0 385.401 3.993 20 5 GHBDRM Cc1sc([C@H]2CCCN2c2ccnc3c2cccc3[N+](=O)[O-])nc1C(=O)[O-] ZINC000569608640 898824700 /nfs/dbraw/zinc/82/47/00/898824700.db2.gz MFFNLCQZNCETOW-CQSZACIVSA-N -1 0 384.417 3.948 20 5 GHBDRM CCOc1ccc([C@H](C)Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1OCC ZINC000569729198 898912490 /nfs/dbraw/zinc/91/24/90/898912490.db2.gz ZYGQVOROMCCOBW-LBPRGKRZSA-N -1 0 389.408 3.967 20 5 GHBDRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000797002963 900061971 /nfs/dbraw/zinc/06/19/71/900061971.db2.gz WPGDUGSYPLVEHV-UHFFFAOYSA-N -1 0 390.461 3.501 20 5 GHBDRM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C)o1 ZINC000135407820 900237333 /nfs/dbraw/zinc/23/73/33/900237333.db2.gz XIMQEZSKVRRUAW-UHFFFAOYSA-N -1 0 396.812 3.649 20 5 GHBDRM CCOC(=O)c1c(C2CC2)csc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001143761958 900486253 /nfs/dbraw/zinc/48/62/53/900486253.db2.gz AXWFSQIAYZCTPS-UHFFFAOYSA-N -1 0 376.390 3.668 20 5 GHBDRM Cc1cc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cc(N2CCCC2)n1 ZINC000844215143 900610080 /nfs/dbraw/zinc/61/00/80/900610080.db2.gz YYNWYEPNDINNHW-FNORWQNLSA-N -1 0 382.420 3.608 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc(CC(F)(F)F)cc1 ZINC000157862488 900869092 /nfs/dbraw/zinc/86/90/92/900869092.db2.gz JQLRJLFJNVPISP-UHFFFAOYSA-N -1 0 378.303 3.640 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C(F)(F)F)c1 ZINC000577093600 902497526 /nfs/dbraw/zinc/49/75/26/902497526.db2.gz VEHLCXFGKHAAOT-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2noc3cc(Cl)ccc32)c1C ZINC000577298858 902658766 /nfs/dbraw/zinc/65/87/66/902658766.db2.gz QAYKAFJKKMRSBU-UHFFFAOYSA-N -1 0 381.797 3.807 20 5 GHBDRM C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000600880497 903040604 /nfs/dbraw/zinc/04/06/04/903040604.db2.gz ZYDOLOFIFACRKJ-JDNHERCYSA-N -1 0 382.825 3.529 20 5 GHBDRM C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nc(C2CCCCC2)no1 ZINC001148095705 903971378 /nfs/dbraw/zinc/97/13/78/903971378.db2.gz JTNSTTYNCMROPM-SECBINFHSA-N -1 0 394.815 3.876 20 5 GHBDRM CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000779126899 904385034 /nfs/dbraw/zinc/38/50/34/904385034.db2.gz KPIMHURDTRQICM-UHFFFAOYSA-N -1 0 387.392 3.577 20 5 GHBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000777289474 905462751 /nfs/dbraw/zinc/46/27/51/905462751.db2.gz GWQUKMCNBJXMBV-UHFFFAOYSA-N -1 0 394.474 3.606 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)ccc1[N+](=O)[O-] ZINC000190425415 906031423 /nfs/dbraw/zinc/03/14/23/906031423.db2.gz WBADBVFFOFJNIW-UHFFFAOYSA-N -1 0 376.221 3.547 20 5 GHBDRM O=C([O-])c1ccc(Nc2cc(F)ccc2OC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC001174505208 907079838 /nfs/dbraw/zinc/07/98/38/907079838.db2.gz URKSXRMVWKIHQF-CYBMUJFWSA-N -1 0 376.340 3.734 20 5 GHBDRM CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000779665201 908093811 /nfs/dbraw/zinc/09/38/11/908093811.db2.gz SSWPPDPTUVGTTI-UHFFFAOYSA-N -1 0 387.392 3.577 20 5 GHBDRM O=C([O-])c1cc(Nc2ccc3nc(-c4cccc(F)c4)nn3c2)cc([N+](=O)[O-])c1 ZINC001176678206 908205336 /nfs/dbraw/zinc/20/53/36/908205336.db2.gz MGSBOJYVUSJIBQ-UHFFFAOYSA-N -1 0 393.334 3.885 20 5 GHBDRM Nc1cc2nc3ccccc3nc2cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176676779 908205799 /nfs/dbraw/zinc/20/57/99/908205799.db2.gz IWRUZFGYDPUPEI-UHFFFAOYSA-N -1 0 375.344 3.715 20 5 GHBDRM C[C@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001177749845 908736558 /nfs/dbraw/zinc/73/65/58/908736558.db2.gz KVTCETSWLFFPPC-NSHDSACASA-N -1 0 386.795 3.631 20 5 GHBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)nc1 ZINC000194022873 908840928 /nfs/dbraw/zinc/84/09/28/908840928.db2.gz CKQSDKHSWNQGMS-UHFFFAOYSA-N -1 0 389.364 3.722 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ncc(Cc2ccccc2)s1 ZINC000194340295 908874002 /nfs/dbraw/zinc/87/40/02/908874002.db2.gz DUIRMHDTLAWLKV-UHFFFAOYSA-N -1 0 393.421 3.582 20 5 GHBDRM CC(C)(C)OC(=O)N1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2ccccc21 ZINC000773841246 910007075 /nfs/dbraw/zinc/00/70/75/910007075.db2.gz GGDZHKHZKXMMNS-UHFFFAOYSA-N -1 0 399.403 3.702 20 5 GHBDRM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795350478 910030676 /nfs/dbraw/zinc/03/06/76/910030676.db2.gz OIMSPULKRSIKEV-UHFFFAOYSA-N -1 0 383.788 3.978 20 5 GHBDRM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cccc(Br)c1[O-])CC2 ZINC000773996492 911243618 /nfs/dbraw/zinc/24/36/18/911243618.db2.gz KHDJLJHRPBKMCT-UHFFFAOYSA-N -1 0 377.194 3.574 20 5 GHBDRM C[C@@]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)(c1ccc(F)cc1)C(F)(F)F ZINC000775209709 916301163 /nfs/dbraw/zinc/30/11/63/916301163.db2.gz QMGMEKKCJKNHBA-GFCCVEGCSA-N -1 0 398.359 3.551 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)ccc1[O-] ZINC001191347913 917919924 /nfs/dbraw/zinc/91/99/24/917919924.db2.gz MXKBVDVBPZSVDT-GXTWGEPZSA-N -1 0 396.852 3.568 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1 ZINC000775470415 918112824 /nfs/dbraw/zinc/11/28/24/918112824.db2.gz JXPFGOIQSBEKHB-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C1 ZINC000543792065 919060718 /nfs/dbraw/zinc/06/07/18/919060718.db2.gz LMQGTBAQGRKFGT-UHFFFAOYSA-N -1 0 395.868 3.775 20 5 GHBDRM O=C(Nc1cccc2c1CN(c1nccs1)C2)c1cc([O-])ccc1[N+](=O)[O-] ZINC000367539405 922182135 /nfs/dbraw/zinc/18/21/35/922182135.db2.gz ZICQNSKRSJEODR-UHFFFAOYSA-N -1 0 382.401 3.529 20 5 GHBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000368377434 922633591 /nfs/dbraw/zinc/63/35/91/922633591.db2.gz PNHQLAJCAZLWNC-SFHVURJKSA-N -1 0 398.806 3.605 20 5 GHBDRM CC(C)c1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])c([O-])c3)NC2=S)cc1 ZINC000748308400 923551472 /nfs/dbraw/zinc/55/14/72/923551472.db2.gz REKYPTHNFRNKNZ-DHDCSXOGSA-N -1 0 383.429 3.686 20 5 GHBDRM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2Br)c1 ZINC000410351105 925564172 /nfs/dbraw/zinc/56/41/72/925564172.db2.gz DIHYJCWXQDPXFI-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000372906413 925767600 /nfs/dbraw/zinc/76/76/00/925767600.db2.gz SMVCXHGOIVXXFZ-UHFFFAOYSA-N -1 0 383.404 3.736 20 5 GHBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000374811749 927548694 /nfs/dbraw/zinc/54/86/94/927548694.db2.gz YSJKFVNDFVDRFM-SFHVURJKSA-N -1 0 398.806 3.605 20 5 GHBDRM CC(C)OCc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000751272146 928106000 /nfs/dbraw/zinc/10/60/00/928106000.db2.gz MFRRDCZPWJQMME-UHFFFAOYSA-N -1 0 384.841 3.974 20 5 GHBDRM O=C([O-])c1ccccc1C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000375354503 928204829 /nfs/dbraw/zinc/20/48/29/928204829.db2.gz FIEQERRPQHDJDI-UHFFFAOYSA-N -1 0 388.807 3.966 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)ccc1[N+](=O)[O-] ZINC000467429577 929062597 /nfs/dbraw/zinc/06/25/97/929062597.db2.gz YKBMHKCJCWTIKG-UHFFFAOYSA-N -1 0 386.433 3.848 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000753065297 929187540 /nfs/dbraw/zinc/18/75/40/929187540.db2.gz FHNJLHXMYBFABK-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)c(C)c2)c([N+](=O)[O-])n1 ZINC000547257894 930851321 /nfs/dbraw/zinc/85/13/21/930851321.db2.gz ABGSEOSXCBYLMF-UHFFFAOYSA-N -1 0 386.433 3.587 20 5 GHBDRM Cc1c(Cl)cccc1N=c1[n-]nc(SCCn2cc([N+](=O)[O-])cn2)s1 ZINC000470841955 930962513 /nfs/dbraw/zinc/96/25/13/930962513.db2.gz QNSDTXMGYBQLSC-UHFFFAOYSA-N -1 0 396.885 3.562 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2cccc3ccncc32)c1 ZINC000783834900 931681923 /nfs/dbraw/zinc/68/19/23/931681923.db2.gz CJBSUHDEHDHJMQ-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000783864776 931697513 /nfs/dbraw/zinc/69/75/13/931697513.db2.gz XGSACLGHQVHEQQ-JTQLQIEISA-N -1 0 398.824 3.627 20 5 GHBDRM O=C(Nc1ccc(OC(=O)c2cccc([O-])c2[N+](=O)[O-])cc1)c1cccs1 ZINC000798277631 932590901 /nfs/dbraw/zinc/59/09/01/932590901.db2.gz IXYJTLSHDIPVKX-UHFFFAOYSA-N -1 0 384.369 3.833 20 5 GHBDRM Cc1nc(SC(F)(F)F)sc1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000798300969 932598985 /nfs/dbraw/zinc/59/89/85/932598985.db2.gz NSNGINLRZHDCBX-UHFFFAOYSA-N -1 0 393.368 3.858 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000777770815 933328799 /nfs/dbraw/zinc/32/87/99/933328799.db2.gz HFHYEFPEYSEQBH-MRVPVSSYSA-N -1 0 397.796 3.981 20 5 GHBDRM CN(CCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OC(C)(C)C ZINC000777823964 933634096 /nfs/dbraw/zinc/63/40/96/933634096.db2.gz VKPZXGKRQVSVIT-UHFFFAOYSA-N -1 0 387.820 3.539 20 5 GHBDRM O=C([N-]c1nnc(-c2ccncc2)s1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001116862159 933798659 /nfs/dbraw/zinc/79/86/59/933798659.db2.gz JGATZXCKROWNDA-UHFFFAOYSA-N -1 0 395.322 3.779 20 5 GHBDRM O=C(NCCCOc1ccc(Cl)cc1Cl)c1cccc([O-])c1[N+](=O)[O-] ZINC000561355321 934077150 /nfs/dbraw/zinc/07/71/50/934077150.db2.gz LZCZAVRTVXWSGX-UHFFFAOYSA-N -1 0 385.203 3.806 20 5 GHBDRM O=C([O-])c1ccc(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1 ZINC001595223817 949274858 /nfs/dbraw/zinc/27/48/58/949274858.db2.gz RJUCLIQDNKNPIM-SFHVURJKSA-N -1 0 378.340 3.634 20 5 GHBDRM O=C([O-])CN(CC1CC1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001595069850 951587320 /nfs/dbraw/zinc/58/73/20/951587320.db2.gz JIXUFZGKIKCPEW-UHFFFAOYSA-N -1 0 386.429 3.683 20 5 GHBDRM CC1(C(=O)[O-])CCN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])CC1 ZINC001589202573 956643097 /nfs/dbraw/zinc/64/30/97/956643097.db2.gz YORJTWNDOXBHDB-UHFFFAOYSA-N -1 0 394.225 3.597 20 5 GHBDRM Cc1cc(N2Cc3ccccc3[C@@H](C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001594313329 958050344 /nfs/dbraw/zinc/05/03/44/958050344.db2.gz IXFOSUZCFASWSG-SFHVURJKSA-N -1 0 390.399 3.549 20 5 GHBDRM Cc1cc(C(=O)[O-])ccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001255839043 960656730 /nfs/dbraw/zinc/65/67/30/960656730.db2.gz HWWHNMBYHZNZHI-UHFFFAOYSA-N -1 0 380.809 3.986 20 5 GHBDRM O=C([O-])Cc1ccc(N2CCO[C@@H](c3ccc(Cl)s3)C2)c([N+](=O)[O-])c1 ZINC001326369196 961084539 /nfs/dbraw/zinc/08/45/39/961084539.db2.gz CWMOFSAULPYDBX-CYBMUJFWSA-N -1 0 382.825 3.515 20 5 GHBDRM O=C([O-])c1ccc(Br)c(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC001574525370 961877094 /nfs/dbraw/zinc/87/70/94/961877094.db2.gz IUFJDQWKSUFOLA-UHFFFAOYSA-N -1 0 393.193 3.627 20 5 GHBDRM O=C([O-])COc1cccc(C(=O)O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)c1 ZINC001574737511 962854792 /nfs/dbraw/zinc/85/47/92/962854792.db2.gz FPTMHBUQZRPAOE-HNNXBMFYSA-N -1 0 399.277 3.519 20 5 GHBDRM C[C@H](CCCNC(=O)OC(C)(C)C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001592487935 978279099 /nfs/dbraw/zinc/27/90/99/978279099.db2.gz XBDJWBKWCOOOIM-AORWBKJGSA-N -1 0 393.440 3.798 20 5 GHBDRM CC[C@@](NCc1c(Br)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001595298646 980419823 /nfs/dbraw/zinc/41/98/23/980419823.db2.gz RTZFWXZLPAMUBN-KRWDZBQOSA-N -1 0 393.237 3.837 20 5 GHBDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001595361739 980764997 /nfs/dbraw/zinc/76/49/97/980764997.db2.gz NNRGHDSXAZGBQE-SFHVURJKSA-N -1 0 395.415 3.614 20 5 GHBDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001594782533 981791586 /nfs/dbraw/zinc/79/15/86/981791586.db2.gz RFZMNHXRMYHPIJ-SFHVURJKSA-N -1 0 382.844 3.673 20 5 GHBDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001594792244 981859650 /nfs/dbraw/zinc/85/96/50/981859650.db2.gz MRHHJZIPQHLNJN-OAQYLSRUSA-N -1 0 397.431 3.762 20 5 GHBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001595792840 982594020 /nfs/dbraw/zinc/59/40/20/982594020.db2.gz ZRRMVJWYRRVCFZ-GXTWGEPZSA-N -1 0 380.466 3.670 20 5 GHBDRM CC[C@H](C)NC(=O)c1cccc(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC001594995256 982891211 /nfs/dbraw/zinc/89/12/11/982891211.db2.gz UVYSBNKJXJVSMI-ZDUSSCGKSA-N -1 0 385.420 3.742 20 5 GHBDRM CCCO[C@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1C ZINC001595942443 983098632 /nfs/dbraw/zinc/09/86/32/983098632.db2.gz VXCGLVOTDMJNEM-KRWDZBQOSA-N -1 0 390.367 3.847 20 5 GHBDRM CCOC(=O)[C@](C)(CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC001596514959 984290224 /nfs/dbraw/zinc/29/02/24/984290224.db2.gz CKOHLAHDSASKCW-XMZCSZCVSA-N -1 0 398.415 3.626 20 5 GHBDRM C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589001188 984943481 /nfs/dbraw/zinc/94/34/81/984943481.db2.gz HQKDPNIGRAOSGX-VSRDTVRMSA-N -1 0 388.807 3.768 20 5 GHBDRM CCOCCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001596924082 985998159 /nfs/dbraw/zinc/99/81/59/985998159.db2.gz GISOLOOPVUIXSG-UHFFFAOYSA-N -1 0 378.812 3.990 20 5 GHBDRM Cc1c(C(=O)N[C@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC001599978159 986124218 /nfs/dbraw/zinc/12/42/18/986124218.db2.gz WSSGTSDBRILMLV-KRWDZBQOSA-N -1 0 397.214 3.940 20 5 GHBDRM Cc1c(C(=O)Nc2nc(-c3ccc(C(=O)[O-])cc3)cs2)cccc1[N+](=O)[O-] ZINC001599985415 986220250 /nfs/dbraw/zinc/22/02/50/986220250.db2.gz NUXHSTUHQFRQCG-UHFFFAOYSA-N -1 0 383.385 3.977 20 5 GHBDRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3cc(F)c([N+](=O)[O-])cc3F)ccc2n1C ZINC001599986369 986230443 /nfs/dbraw/zinc/23/04/43/986230443.db2.gz ZIVFPXXAGAUISQ-UHFFFAOYSA-N -1 0 390.298 3.591 20 5 GHBDRM C[C@@H]1CN(c2ccc(Nc3ccc(CC(=O)[O-])cc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC001594575284 986410723 /nfs/dbraw/zinc/41/07/23/986410723.db2.gz JRQHRHNSDTXQOX-OKILXGFUSA-N -1 0 385.420 3.579 20 5 GHBDRM C[C@H]1CN(c2ccc(Nc3c(Cl)cc([N+](=O)[O-])cc3C(=O)[O-])cc2)CCO1 ZINC001594576219 986416857 /nfs/dbraw/zinc/41/68/57/986416857.db2.gz VKBLOAZVJIFJLR-NSHDSACASA-N -1 0 391.811 3.915 20 5 GHBDRM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])cc1OC ZINC001597044738 986505359 /nfs/dbraw/zinc/50/53/59/986505359.db2.gz NOOPNUUDVUEFCX-UHFFFAOYSA-N -1 0 388.376 3.569 20 5 GHBDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001589513432 987158913 /nfs/dbraw/zinc/15/89/13/987158913.db2.gz SYQAENRQPXPHPQ-LLVKDONJSA-N -1 0 391.811 3.801 20 5 GHBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001597272761 987324520 /nfs/dbraw/zinc/32/45/20/987324520.db2.gz LAWPDCGXYZJGCI-UHFFFAOYSA-N -1 0 376.390 3.666 20 5 GHBDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001589633823 987547554 /nfs/dbraw/zinc/54/75/54/987547554.db2.gz FNKILRGCHRVRFS-UHFFFAOYSA-N -1 0 376.796 3.792 20 5 GHBDRM CSCc1ccc(CNC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cc1 ZINC001599802095 988193390 /nfs/dbraw/zinc/19/33/90/988193390.db2.gz BNPONEYEAPPNSI-UHFFFAOYSA-N -1 0 389.433 3.786 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC001597563870 988319588 /nfs/dbraw/zinc/31/95/88/988319588.db2.gz YPMDSTNDIBHYIS-QGZVFWFLSA-N -1 0 387.392 3.503 20 5 GHBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1 ZINC001599811460 988343346 /nfs/dbraw/zinc/34/33/46/988343346.db2.gz RHZGOGZSGPEYTB-HNNXBMFYSA-N -1 0 392.408 3.710 20 5 GHBDRM CC(C)(C)OC(=O)[C@@H]1CC[C@H](Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001590332819 989774938 /nfs/dbraw/zinc/77/49/38/989774938.db2.gz XBHCWEUNBQCMIX-ZJUUUORDSA-N -1 0 384.816 3.869 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1[N+](=O)[O-] ZINC001590475296 990048592 /nfs/dbraw/zinc/04/85/92/990048592.db2.gz HTRHIAQIONKGFJ-OAHLLOKOSA-N -1 0 376.453 3.903 20 5 GHBDRM CC(C)(CCC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001590656437 990355045 /nfs/dbraw/zinc/35/50/45/990355045.db2.gz UDUQTMVZESEVIF-NRFANRHFSA-N -1 0 384.432 3.769 20 5 GHBDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001598300664 991247394 /nfs/dbraw/zinc/24/73/94/991247394.db2.gz WBKOQLKTEDSYOK-UHFFFAOYSA-N -1 0 397.309 3.630 20 5 GHBDRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001591313306 992276510 /nfs/dbraw/zinc/27/65/10/992276510.db2.gz VBOVALNYHPKAGH-UHFFFAOYSA-N -1 0 390.358 3.823 20 5 GHBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001598502386 992451019 /nfs/dbraw/zinc/45/10/19/992451019.db2.gz WSVBKYJTAPRDTJ-UHFFFAOYSA-N -1 0 385.420 3.663 20 5 GHBDRM CC(C)N(C)c1ccc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1F ZINC001591560950 992760624 /nfs/dbraw/zinc/76/06/24/992760624.db2.gz UCHBNTDCARGSDY-UHFFFAOYSA-N -1 0 391.399 3.654 20 5 GHBDRM CN(Cc1csc([N+](=O)[O-])c1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598536445 992845160 /nfs/dbraw/zinc/84/51/60/992845160.db2.gz WFRBJEINSBZDOD-CYBMUJFWSA-N -1 0 385.239 3.677 20 5 GHBDRM CN(c1ccccc1)[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001598545213 992938121 /nfs/dbraw/zinc/93/81/21/992938121.db2.gz WEBZUWDVANVRPD-CYBMUJFWSA-N -1 0 375.812 3.662 20 5 GHBDRM C[C@](NC(=O)c1cc2sccc2s1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593155521 993968660 /nfs/dbraw/zinc/96/86/60/993968660.db2.gz DJJDEGPILBTWIS-MRXNPFEDSA-N -1 0 376.415 3.601 20 5 GHBDRM C[C@@](NC(=O)c1ccc(C2CCCC2)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593159278 993985092 /nfs/dbraw/zinc/98/50/92/993985092.db2.gz CEJYQOYZGQHWSF-NRFANRHFSA-N -1 0 382.416 3.982 20 5 GHBDRM COc1cccc(C(=O)N[C@H](CC(=O)[O-])c2cccc3ccccc32)c1[N+](=O)[O-] ZINC001599642216 994375036 /nfs/dbraw/zinc/37/50/36/994375036.db2.gz CRXXAWMSIXBCGN-QGZVFWFLSA-N -1 0 394.383 3.702 20 5 GHBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001593619287 995860627 /nfs/dbraw/zinc/86/06/27/995860627.db2.gz CDOPKEXEISRZDH-IUCAKERBSA-N -1 0 383.740 3.611 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001593667305 996057399 /nfs/dbraw/zinc/05/73/99/996057399.db2.gz MWZHFDKHGSFXGF-LBPRGKRZSA-N -1 0 386.429 3.753 20 5 GHBDRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001599398522 997172173 /nfs/dbraw/zinc/17/21/73/997172173.db2.gz HTUREAULXSWRDZ-PKNBQFBNSA-N -1 0 385.372 3.584 20 5 GHBDRM COc1cc(COc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC001599416765 997525100 /nfs/dbraw/zinc/52/51/00/997525100.db2.gz HEKBPWMOFQOBNO-UHFFFAOYSA-N -1 0 383.303 3.525 20 5 GHBDRM COc1c(C(=O)Nc2nc(-c3ccc(C(=O)[O-])cc3)cs2)cccc1[N+](=O)[O-] ZINC001599329702 997725486 /nfs/dbraw/zinc/72/54/86/997725486.db2.gz MIZDYSNCHIWDRD-UHFFFAOYSA-N -1 0 399.384 3.677 20 5 GHBDRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001599542284 997864751 /nfs/dbraw/zinc/86/47/51/997864751.db2.gz IVIXRGGHWABTBJ-WZUFQYTHSA-N -1 0 385.372 3.584 20 5 GHBDRM CC1(c2ccc(CNc3ccc([N+](=O)[O-])c(C(=O)[O-])c3Cl)cc2)OCCO1 ZINC001594072002 997916657 /nfs/dbraw/zinc/91/66/57/997916657.db2.gz XYVULHNRELZLET-UHFFFAOYSA-N -1 0 392.795 3.778 20 5 GHBDRM CC1=C(C(=O)[O-])[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)NC(=O)N1CC1CC1 ZINC001594095428 998067110 /nfs/dbraw/zinc/06/71/10/998067110.db2.gz OYBOKZSCCBOSBO-SFHVURJKSA-N -1 0 397.387 3.690 20 5 GHBDRM CO[C@@H](C(=O)[O-])c1ccccc1OCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001599027525 999026984 /nfs/dbraw/zinc/02/69/84/999026984.db2.gz UGZYIICIYBLMRU-GOSISDBHSA-N -1 0 375.377 3.733 20 5 GHBDRM CO[C@H](c1ccccc1Cl)[C@H](C)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001599063009 999279346 /nfs/dbraw/zinc/27/93/46/999279346.db2.gz GKMMNZGNUYWLNI-BONVTDFDSA-N -1 0 379.800 3.838 20 5 GHBDRM O=c1oc2cc([O-])ccc2c2oc3cc(O[C@@H](C[N+](=O)[O-])C4CC4)ccc3c21 ZINC001227518637 1032450866 /nfs/dbraw/zinc/45/08/66/1032450866.db2.gz QZNYWXATXZSHTH-KRWDZBQOSA-N -1 0 381.340 3.832 20 5 GHBDRM CSc1nc(O[C@@H](C)c2ncc(C(F)(F)F)cc2F)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227629318 1032492240 /nfs/dbraw/zinc/49/22/40/1032492240.db2.gz UZGQMTMYFLIYJC-YFKPBYRVSA-N -1 0 394.306 3.505 20 5 GHBDRM CSc1nc(O[C@H](C)c2c(Cl)cncc2Cl)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227629321 1032492371 /nfs/dbraw/zinc/49/23/71/1032492371.db2.gz VDLDHJDWOVUKHH-RXMQYKEDSA-N -1 0 377.209 3.654 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1noc2cc(Cl)ccc21 ZINC000558150053 1017126114 /nfs/dbraw/zinc/12/61/14/1017126114.db2.gz IDWZRRWAXOPRMN-UHFFFAOYSA-N -1 0 388.188 3.844 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)nn1C1CCCCC1 ZINC000562231626 1018078878 /nfs/dbraw/zinc/07/88/78/1018078878.db2.gz XBMVUMPTBLJSQJ-UHFFFAOYSA-N -1 0 378.454 3.714 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2C)cc1[N+](=O)[O-] ZINC000800844795 1021341611 /nfs/dbraw/zinc/34/16/11/1021341611.db2.gz LSAJONNKJPCRST-UHFFFAOYSA-N -1 0 393.318 3.565 20 5 GHBDRM COc1cccc2c1[C@@H](Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-])CCO2 ZINC001228858007 1033139608 /nfs/dbraw/zinc/13/96/08/1033139608.db2.gz AMBQELQUVZZEKQ-NSHDSACASA-N -1 0 386.282 3.625 20 5 GHBDRM O=c1cc(C(F)(F)F)[n-]c(O[C@@H]2CCCN(c3ccccc3)C2)c1[N+](=O)[O-] ZINC001228860228 1033143000 /nfs/dbraw/zinc/14/30/00/1033143000.db2.gz ROOASUYYLOXDRH-GFCCVEGCSA-N -1 0 383.326 3.762 20 5 GHBDRM COc1ccc(SCCC(=O)OCc2cc([O-])ccc2[N+](=O)[O-])cc1OC ZINC000837685374 1024631937 /nfs/dbraw/zinc/63/19/37/1024631937.db2.gz RMTVRYADULLLNF-UHFFFAOYSA-N -1 0 393.417 3.543 20 5 GHBDRM O=C([N-]Cc1cc(F)cc(Nc2ncc(Cl)cc2[N+](=O)[O-])c1)C(F)(F)F ZINC001163860951 1026343432 /nfs/dbraw/zinc/34/34/32/1026343432.db2.gz IUFFVJSVQPRCSE-UHFFFAOYSA-N -1 0 392.696 3.704 20 5 GHBDRM O=[N+]([O-])c1ncc(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)cc1[O-] ZINC001213596196 1028286964 /nfs/dbraw/zinc/28/69/64/1028286964.db2.gz QTUKPXQNTPMKSA-UHFFFAOYSA-N -1 0 377.316 3.600 20 5 GHBDRM CC1(C)CC(=O)c2ccc(-c3noc(-c4cc([N+](=O)[O-])ccc4[O-])n3)cc2O1 ZINC001215380215 1029181683 /nfs/dbraw/zinc/18/16/83/1029181683.db2.gz KTHGNXCVGZDMQX-UHFFFAOYSA-N -1 0 381.344 3.761 20 5 GHBDRM COc1cc([N+](=O)[O-])c(-c2nc(-c3ccccc3-c3cnco3)no2)cc1[O-] ZINC001216343520 1029609847 /nfs/dbraw/zinc/60/98/47/1029609847.db2.gz IBQBQSVFHOVVOM-UHFFFAOYSA-N -1 0 380.316 3.681 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(-c3ccnc(OCc4ccccc4)c3)no2)c([O-])c1 ZINC001216563543 1029687615 /nfs/dbraw/zinc/68/76/15/1029687615.db2.gz FSZAUIHOHVEORI-UHFFFAOYSA-N -1 0 390.355 3.991 20 5 GHBDRM COc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3[O-])n2)c(OC(F)(F)F)c1 ZINC001216563757 1029687843 /nfs/dbraw/zinc/68/78/43/1029687843.db2.gz KMRLXTWLCLFWTI-UHFFFAOYSA-N -1 0 397.265 3.925 20 5 GHBDRM Cc1cc(-c2noc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])n2)ccc1Cl ZINC001216711710 1029900747 /nfs/dbraw/zinc/90/07/47/1029900747.db2.gz JPPVLAHMTDORSK-UHFFFAOYSA-N -1 0 376.712 3.887 20 5 GHBDRM COc1cc(Cl)ccc1-c1noc(-c2c[n-]c3ccc([N+](=O)[O-])cc3c2=O)n1 ZINC001217437991 1030392302 /nfs/dbraw/zinc/39/23/02/1030392302.db2.gz DIJNVXDSFMRNMN-UHFFFAOYSA-N -1 0 398.762 3.815 20 5 GHBDRM O=c1cc(-c2nc(-c3ccc(F)c(Cl)c3)no2)[n-]c2ccc([N+](=O)[O-])cc12 ZINC001217509695 1030451708 /nfs/dbraw/zinc/45/17/08/1030451708.db2.gz CESIYZHKLNCIBO-UHFFFAOYSA-N -1 0 386.726 3.946 20 5 GHBDRM O=c1cc(-c2nc(-c3cc(F)cc(F)c3F)no2)[n-]c2ccc([N+](=O)[O-])cc12 ZINC001217509711 1030452856 /nfs/dbraw/zinc/45/28/56/1030452856.db2.gz CVWXDNUEGQJIGK-UHFFFAOYSA-N -1 0 388.261 3.571 20 5 GHBDRM CCCC[C@H](Oc1nc(=O)[n-]c(C(=O)OCC)c1[N+](=O)[O-])c1ccccc1 ZINC001226020947 1031743681 /nfs/dbraw/zinc/74/36/81/1031743681.db2.gz NCANRJUEBKNQEJ-ZDUSSCGKSA-N -1 0 375.381 3.577 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@H](c2cccc(Br)c2)C1 ZINC001158648864 1034213921 /nfs/dbraw/zinc/21/39/21/1034213921.db2.gz OAZYMEPKRBHCLV-LBPRGKRZSA-N -1 0 391.221 3.693 20 5 GHBDRM CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001158844053 1034298191 /nfs/dbraw/zinc/29/81/91/1034298191.db2.gz GOLLYCMQHKTRSI-UHFFFAOYSA-N -1 0 386.795 3.616 20 5 GHBDRM Cc1cnc([N-][C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)c([N+](=O)[O-])c1 ZINC001159527711 1034640922 /nfs/dbraw/zinc/64/09/22/1034640922.db2.gz RCGBYOJMHKMYCX-HXUWFJFHSA-N -1 0 387.399 3.526 20 5 GHBDRM O=[N+]([O-])c1cc(Cc2nc(-c3cc(F)cc(OC(F)(F)F)c3)no2)ccc1[O-] ZINC001247988621 1038527754 /nfs/dbraw/zinc/52/77/54/1038527754.db2.gz ZKACLGSHXMQJEY-UHFFFAOYSA-N -1 0 399.256 3.979 20 5 GHBDRM COC(=O)[C@@H](C)Oc1c(CC=C(C)C)c([O-])cc2oc3ccc(O)cc3c(=O)c21 ZINC001234741898 1040267280 /nfs/dbraw/zinc/26/72/80/1040267280.db2.gz SXMSVBXARYDTFO-GFCCVEGCSA-N -1 0 398.411 3.806 20 5 GHBDRM O=[N+]([O-])c1cc([O-])ccc1-c1nnc(-c2ccc(Cn3cc(Cl)cn3)cc2)o1 ZINC001257182418 1043922936 /nfs/dbraw/zinc/92/29/36/1043922936.db2.gz NMLSOCFRHVPDBO-UHFFFAOYSA-N -1 0 397.778 3.916 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N(Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC001293107694 1044023224 /nfs/dbraw/zinc/02/32/24/1044023224.db2.gz ONAUDFNIONJUGW-UHFFFAOYSA-N -1 0 392.367 3.876 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001293211530 1044066286 /nfs/dbraw/zinc/06/62/86/1044066286.db2.gz VIUFTKQAEUVNFD-OAHLLOKOSA-N -1 0 397.214 3.821 20 5 GHBDRM CCO[C@@H]1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C12CCCCC2 ZINC001293666473 1044285405 /nfs/dbraw/zinc/28/54/05/1044285405.db2.gz WTGSBLYIVQOSII-HUUCEWRRSA-N -1 0 382.844 3.812 20 5 GHBDRM CC[C@H](Cc1ccc(C)cc1)N(CC)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001463173287 1070875854 /nfs/dbraw/zinc/87/58/54/1070875854.db2.gz JKFWVPXBPJYKGX-MRXNPFEDSA-N -1 0 392.477 3.641 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n(-c2ccc(C)cc2)n1 ZINC001328475177 1050521197 /nfs/dbraw/zinc/52/11/97/1050521197.db2.gz SXORXAVGQRYBRL-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM Cc1ccc([C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C(F)(F)F)o1 ZINC001309628677 1050877944 /nfs/dbraw/zinc/87/79/44/1050877944.db2.gz YIHSLJONHVNWLO-AWEZNQCLSA-N -1 0 392.355 3.695 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c[nH]c3ccccc23)c(C(F)(F)F)c1 ZINC001309895571 1051030601 /nfs/dbraw/zinc/03/06/01/1051030601.db2.gz PCQZMXNZKXUFFO-UHFFFAOYSA-N -1 0 385.323 3.896 20 5 GHBDRM C[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001318499743 1054681380 /nfs/dbraw/zinc/68/13/80/1054681380.db2.gz YHYPBJDLPILZFP-LLVKDONJSA-N -1 0 388.873 3.660 20 5 GHBDRM Cc1c2c(cccc2F)sc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC001319562359 1055323889 /nfs/dbraw/zinc/32/38/89/1055323889.db2.gz RFYZQIHJZAHAIA-UHFFFAOYSA-N -1 0 381.410 3.640 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccn(C2CCCCC2)n1 ZINC001321997862 1056470140 /nfs/dbraw/zinc/47/01/40/1056470140.db2.gz HOYSJYCHJJLHBE-UHFFFAOYSA-N -1 0 384.845 3.751 20 5 GHBDRM CCOC(=O)c1cccc2[nH]c(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc21 ZINC001440001482 1058382153 /nfs/dbraw/zinc/38/21/53/1058382153.db2.gz NAGZQXXCPYFZAI-UHFFFAOYSA-N -1 0 388.767 3.554 20 5 GHBDRM Cc1nc2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])c(Cl)cc3C)cc2o1 ZINC001338808946 1058800908 /nfs/dbraw/zinc/80/09/08/1058800908.db2.gz WYZROYHZRXDDBR-UHFFFAOYSA-N -1 0 381.797 3.807 20 5 GHBDRM CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](COC)Cc1ccccc1 ZINC001445357441 1059511634 /nfs/dbraw/zinc/51/16/34/1059511634.db2.gz IZDPWMLXJQJYGX-HNNXBMFYSA-N -1 0 392.839 3.674 20 5 GHBDRM Nc1c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cccc1C(F)(F)F ZINC001446838287 1059876814 /nfs/dbraw/zinc/87/68/14/1059876814.db2.gz RPZNVDNOPKWJEX-UHFFFAOYSA-N -1 0 375.690 3.807 20 5 GHBDRM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001455441947 1062147474 /nfs/dbraw/zinc/14/74/74/1062147474.db2.gz FQYABIIIEPEUDK-ZDUSSCGKSA-N -1 0 380.404 3.540 20 5 GHBDRM O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC001464521154 1065060466 /nfs/dbraw/zinc/06/04/66/1065060466.db2.gz QNYXHMUPGVBJLD-OAHLLOKOSA-N -1 0 378.331 3.709 20 5 GHBDRM CCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001465260220 1065507345 /nfs/dbraw/zinc/50/73/45/1065507345.db2.gz QJJGNKTXVVHGIT-ZWKOTPCHSA-N -1 0 376.453 3.890 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(OCC(F)(F)F)o1 ZINC001466408826 1066137140 /nfs/dbraw/zinc/13/71/40/1066137140.db2.gz IWVJXIXKVBWIMK-UHFFFAOYSA-N -1 0 380.662 3.740 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccc(Br)c1[O-] ZINC001470745731 1072718116 /nfs/dbraw/zinc/71/81/16/1072718116.db2.gz VNIDZGXHRYPMIN-QMMMGPOBSA-N -1 0 398.238 3.577 20 5 GHBDRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000001751234 209338505 /nfs/dbraw/zinc/33/85/05/209338505.db2.gz YDHSVFHYUBAABO-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736702781 599771936 /nfs/dbraw/zinc/77/19/36/599771936.db2.gz FYJHAMPKHJXPDX-NSHDSACASA-N -1 0 392.795 3.671 20 5 GHBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000538505201 599852310 /nfs/dbraw/zinc/85/23/10/599852310.db2.gz KOIXDLRHACDDQX-AWEZNQCLSA-N -1 0 394.836 3.916 20 5 GHBDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000738202600 599852907 /nfs/dbraw/zinc/85/29/07/599852907.db2.gz IYUDELBOEGTTJE-MRXNPFEDSA-N -1 0 399.428 3.744 20 5 GHBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000738201604 599880937 /nfs/dbraw/zinc/88/09/37/599880937.db2.gz SARWOUVGGYKKRS-HNNXBMFYSA-N -1 0 375.406 3.654 20 5 GHBDRM COc1cc([N+](=O)[O-])c(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)cc1SC ZINC000737906150 599896248 /nfs/dbraw/zinc/89/62/48/599896248.db2.gz WMGBEWUDSKPCDT-UHFFFAOYSA-N -1 0 397.792 3.896 20 5 GHBDRM CCNc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000737128932 599921389 /nfs/dbraw/zinc/92/13/89/599921389.db2.gz FVTRJJIOERFODR-UHFFFAOYSA-N -1 0 389.433 3.597 20 5 GHBDRM Cc1cccc(C[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(=O)[O-])c1 ZINC000738708853 600009379 /nfs/dbraw/zinc/00/93/79/600009379.db2.gz PURJXZGRLUEIPL-ZDUSSCGKSA-N -1 0 391.811 3.622 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H](c1ccccc1)c1ccccn1 ZINC000740098706 600075656 /nfs/dbraw/zinc/07/56/56/600075656.db2.gz XTPIGIGVEUQFQN-KRWDZBQOSA-N -1 0 394.343 3.798 20 5 GHBDRM CN(Cc1ccc(F)cc1Cl)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000737476904 600167397 /nfs/dbraw/zinc/16/73/97/600167397.db2.gz NIJNNQTZQSVZKL-UHFFFAOYSA-N -1 0 383.719 3.630 20 5 GHBDRM Cc1c(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC000738300857 600249696 /nfs/dbraw/zinc/24/96/96/600249696.db2.gz VVMNOSREDVBPKS-UHFFFAOYSA-N -1 0 378.768 3.662 20 5 GHBDRM O=C([O-])Nc1cc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000740005223 600250734 /nfs/dbraw/zinc/25/07/34/600250734.db2.gz FBBQIDVUWJNNHV-UHFFFAOYSA-N -1 0 397.746 3.885 20 5 GHBDRM C[C@H]1CN(c2ccc(Nc3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])cc2)CCO1 ZINC000736821924 600259561 /nfs/dbraw/zinc/25/95/61/600259561.db2.gz AXCCRTFQZRLJLO-SILGHJDOSA-N -1 0 383.404 3.661 20 5 GHBDRM C[C@@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(=O)[O-])o1 ZINC000736689102 600266778 /nfs/dbraw/zinc/26/67/78/600266778.db2.gz OWMYMLHEDQLXAO-SECBINFHSA-N -1 0 383.740 3.613 20 5 GHBDRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)CC2 ZINC000262470844 600271088 /nfs/dbraw/zinc/27/10/88/600271088.db2.gz SDQWFRCSCSLAOK-KRWDZBQOSA-N -1 0 396.399 3.714 20 5 GHBDRM CCOc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000737195710 600322979 /nfs/dbraw/zinc/32/29/79/600322979.db2.gz XFLMBLZWYFFQTO-HNNXBMFYSA-N -1 0 379.752 3.630 20 5 GHBDRM O=C([O-])c1ccnc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000740244058 600431265 /nfs/dbraw/zinc/43/12/65/600431265.db2.gz BYWVVYFMDFQPNV-UHFFFAOYSA-N -1 0 378.344 3.684 20 5 GHBDRM C[C@@H](NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000736703383 600462405 /nfs/dbraw/zinc/46/24/05/600462405.db2.gz SEHIWJNFZKCMQO-MNOVXSKESA-N -1 0 392.795 3.591 20 5 GHBDRM O=C([O-])c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)o1 ZINC000554278994 600479263 /nfs/dbraw/zinc/47/92/63/600479263.db2.gz DITHPGBUOUQCSQ-UHFFFAOYSA-N -1 0 382.328 3.608 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc([N+](=O)[O-])c1 ZINC000740090853 600540220 /nfs/dbraw/zinc/54/02/20/600540220.db2.gz WAGUKYDZYZHGKZ-UHFFFAOYSA-N -1 0 386.751 3.589 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccccc1OCC1CC1 ZINC000740095606 600560737 /nfs/dbraw/zinc/56/07/37/600560737.db2.gz JUEGNMMQWKZUIS-UHFFFAOYSA-N -1 0 387.348 3.602 20 5 GHBDRM Cc1cc(C)cc(-c2nnc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)s2)c1 ZINC000738221193 600580168 /nfs/dbraw/zinc/58/01/68/600580168.db2.gz FXYPAKKCVRVMGX-UHFFFAOYSA-N -1 0 398.400 3.681 20 5 GHBDRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000736585000 600585661 /nfs/dbraw/zinc/58/56/61/600585661.db2.gz QXKGMRSTQZKNAV-LBPRGKRZSA-N -1 0 376.796 3.611 20 5 GHBDRM Cc1cc(C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000439893288 600598529 /nfs/dbraw/zinc/59/85/29/600598529.db2.gz KCFQAKFIVNKDIN-SFHVURJKSA-N -1 0 392.411 3.730 20 5 GHBDRM O=C([O-])[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)Cc1cccc2ccccc21 ZINC000739402891 600600252 /nfs/dbraw/zinc/60/02/52/600600252.db2.gz LYSRJPNEEZHNJG-MRXNPFEDSA-N -1 0 396.374 3.560 20 5 GHBDRM O=C([O-])[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])Cc1ccc2ccccc2c1 ZINC000739409141 600604037 /nfs/dbraw/zinc/60/40/37/600604037.db2.gz RUIJRWRUBYVMCZ-MRXNPFEDSA-N -1 0 396.374 3.560 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000237665533 600604566 /nfs/dbraw/zinc/60/45/66/600604566.db2.gz ZZBHGHHKZDKVCK-SFHVURJKSA-N -1 0 392.411 3.730 20 5 GHBDRM O=C([O-])/C=C\c1ccc(NC[C@@H](O)c2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000739626379 600791573 /nfs/dbraw/zinc/79/15/73/600791573.db2.gz SPMBLCIDWDHOAN-ZQMJAJRESA-N -1 0 380.759 3.631 20 5 GHBDRM O=C([O-])C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000833198921 600798814 /nfs/dbraw/zinc/79/88/14/600798814.db2.gz MABBMPMICXHTBH-CQSZACIVSA-N -1 0 383.187 3.847 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])c(NC[C@H]2CCN(c3ccccc3)C2)cc1Cl ZINC000740096673 600943335 /nfs/dbraw/zinc/94/33/35/600943335.db2.gz OIDWOZVDPGIDES-GFCCVEGCSA-N -1 0 375.812 3.885 20 5 GHBDRM C[C@@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000736823392 600943736 /nfs/dbraw/zinc/94/37/36/600943736.db2.gz LGBBPMPCZGJSPY-PIGZYNQJSA-N -1 0 376.796 3.913 20 5 GHBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833009348 601075917 /nfs/dbraw/zinc/07/59/17/601075917.db2.gz JWDOAKBKXYLLSP-CYBMUJFWSA-N -1 0 385.159 3.588 20 5 GHBDRM O=C([O-])[C@H](OC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000833111642 601118346 /nfs/dbraw/zinc/11/83/46/601118346.db2.gz GKTIXHMSAHMQSR-OAHLLOKOSA-N -1 0 399.186 3.683 20 5 GHBDRM CC[C@@H](NC(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000828951813 601126909 /nfs/dbraw/zinc/12/69/09/601126909.db2.gz SPUUKMGMBWWLLP-QGZVFWFLSA-N -1 0 387.392 3.721 20 5 GHBDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000833182017 601152394 /nfs/dbraw/zinc/15/23/94/601152394.db2.gz QLLDBECEOWWPJU-QWHCGFSZSA-N -1 0 380.828 3.882 20 5 GHBDRM CSc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000540664440 601584574 /nfs/dbraw/zinc/58/45/74/601584574.db2.gz KDTLQMZZZOLAOE-AWEZNQCLSA-N -1 0 380.809 3.526 20 5 GHBDRM O=C([O-])Nc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 ZINC000833288362 601630735 /nfs/dbraw/zinc/63/07/35/601630735.db2.gz KXHVQUXZESSINI-UHFFFAOYSA-N -1 0 398.144 3.839 20 5 GHBDRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000832921475 601705499 /nfs/dbraw/zinc/70/54/99/601705499.db2.gz RHGORCILYLJNBH-CYBMUJFWSA-N -1 0 387.392 3.639 20 5 GHBDRM O=C([O-])c1ccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1Cl ZINC000833144297 601757812 /nfs/dbraw/zinc/75/78/12/601757812.db2.gz QNQBJKFJEWJNNW-UHFFFAOYSA-N -1 0 384.175 3.922 20 5 GHBDRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000833132234 601907978 /nfs/dbraw/zinc/90/79/78/601907978.db2.gz YVJOFNHNDKKGBJ-DGCLKSJQSA-N -1 0 388.342 3.767 20 5 GHBDRM O=C([O-])c1ccc(COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000833316076 602011710 /nfs/dbraw/zinc/01/17/10/602011710.db2.gz OXFCIFCFTYEUBV-UHFFFAOYSA-N -1 0 375.280 3.730 20 5 GHBDRM Cc1cc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)ccc1[N+](=O)[O-] ZINC000486058661 602260407 /nfs/dbraw/zinc/26/04/07/602260407.db2.gz FWQIWKWGRYSBNK-UHFFFAOYSA-N -1 0 380.356 3.772 20 5 GHBDRM COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(NC(=O)[O-])ccc2F)cc1SC ZINC000739869798 602293156 /nfs/dbraw/zinc/29/31/56/602293156.db2.gz BZODDLWLASWWHF-UHFFFAOYSA-N -1 0 395.368 3.807 20 5 GHBDRM Cc1cc(N2CCC[C@H]2c2cccc3c2OCCO3)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579127829 602316578 /nfs/dbraw/zinc/31/65/78/602316578.db2.gz CCIJZONTEFBWAH-INIZCTEOSA-N -1 0 384.388 3.714 20 5 GHBDRM Cc1cc(NCc2cc3c(cc2OC(F)F)OCO3)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897366 602324137 /nfs/dbraw/zinc/32/41/37/602324137.db2.gz QACVRUPNEOSINN-UHFFFAOYSA-N -1 0 396.302 3.544 20 5 GHBDRM COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1SC ZINC000737905465 602504988 /nfs/dbraw/zinc/50/49/88/602504988.db2.gz JITFYKHONNCKPS-UHFFFAOYSA-N -1 0 377.378 3.668 20 5 GHBDRM O=C([O-])Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000740716175 602960770 /nfs/dbraw/zinc/96/07/70/602960770.db2.gz VGSLYTILOCOEPC-UHFFFAOYSA-N -1 0 380.154 3.700 20 5 GHBDRM CC(C)(C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000738660832 602988499 /nfs/dbraw/zinc/98/84/99/602988499.db2.gz CKLJQNQYIPKOCP-UHFFFAOYSA-N -1 0 383.404 3.942 20 5 GHBDRM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000829771600 603179917 /nfs/dbraw/zinc/17/99/17/603179917.db2.gz DHEDDQMQMDPCMJ-JTQLQIEISA-N -1 0 375.406 3.898 20 5 GHBDRM CCN(Cc1ccccc1NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000739449641 603350592 /nfs/dbraw/zinc/35/05/92/603350592.db2.gz ZQTUQMRMHDYOGK-ZDUSSCGKSA-N -1 0 386.408 3.977 20 5 GHBDRM C[C@@H]1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739191551 603407359 /nfs/dbraw/zinc/40/73/59/603407359.db2.gz LKAUOVQKOXJPHK-XCBNKYQSSA-N -1 0 381.738 3.749 20 5 GHBDRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000829187057 604030934 /nfs/dbraw/zinc/03/09/34/604030934.db2.gz BUUAVNXAHZYVCF-UHFFFAOYSA-N -1 0 379.756 3.907 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCO[C@@H](c3ccccc3F)C2)cc1Cl ZINC000833306647 604264701 /nfs/dbraw/zinc/26/47/01/604264701.db2.gz BEQDUDVFOPBWSD-MRXNPFEDSA-N -1 0 380.759 3.663 20 5 GHBDRM Cc1cc(N[C@@H](CO)c2cccc(Br)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897797 604284871 /nfs/dbraw/zinc/28/48/71/604284871.db2.gz YFWMQCMYICESLR-AWEZNQCLSA-N -1 0 395.209 3.509 20 5 GHBDRM CCOc1ccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000830059749 604389989 /nfs/dbraw/zinc/38/99/89/604389989.db2.gz LKALLTJYGCYKQV-QGZVFWFLSA-N -1 0 386.404 3.575 20 5 GHBDRM C[C@@H](Oc1ccc(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1)C(=O)[O-] ZINC000833537083 604523254 /nfs/dbraw/zinc/52/32/54/604523254.db2.gz HKCLGXLSTZHFJG-GFCCVEGCSA-N -1 0 378.812 3.732 20 5 GHBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCc1ccccc1C(=O)[O-] ZINC000833693926 604675402 /nfs/dbraw/zinc/67/54/02/604675402.db2.gz AFOYHHRNXOPKPO-UHFFFAOYSA-N -1 0 376.796 3.538 20 5 GHBDRM O=C([O-])c1cc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(F)cc1F ZINC000833299359 604946256 /nfs/dbraw/zinc/94/62/56/604946256.db2.gz DFCOPVLUNAJXQJ-UHFFFAOYSA-N -1 0 391.330 3.768 20 5 GHBDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000611478491 604997667 /nfs/dbraw/zinc/99/76/67/604997667.db2.gz FHPRAESSEBPLDL-LLVKDONJSA-N -1 0 388.342 3.577 20 5 GHBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])c2ccccc21 ZINC000833621535 605002507 /nfs/dbraw/zinc/00/25/07/605002507.db2.gz KFFXJOUZAAXSIJ-GFCCVEGCSA-N -1 0 386.429 3.926 20 5 GHBDRM C[C@@H]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCCC(=O)[O-])C2)C1 ZINC000833613194 605119208 /nfs/dbraw/zinc/11/92/08/605119208.db2.gz WUHXSUGZDXRHPH-YJYMSZOUSA-N -1 0 392.477 3.814 20 5 GHBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833540716 605275809 /nfs/dbraw/zinc/27/58/09/605275809.db2.gz VVCCRLOUKNPJBR-QMMMGPOBSA-N -1 0 397.746 3.883 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc(NC(=O)[O-])cc1 ZINC000833545777 605303866 /nfs/dbraw/zinc/30/38/66/605303866.db2.gz NCQYSBQUSWPFCU-NSHDSACASA-N -1 0 376.390 3.909 20 5 GHBDRM C[C@H](Nc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000833524800 605607323 /nfs/dbraw/zinc/60/73/23/605607323.db2.gz IYAHHMBADJKFCJ-DZGCQCFKSA-N -1 0 398.415 3.751 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2noc3cc(Cl)ccc32)c1C ZINC000581392544 837521482 /nfs/dbraw/zinc/52/14/82/837521482.db2.gz CUIHWVPYLHHPGI-UHFFFAOYSA-N -1 0 381.797 3.807 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1nc2cc(F)c(F)cc2s1 ZINC000066254396 834675700 /nfs/dbraw/zinc/67/57/00/834675700.db2.gz WULDGPNJRVRTEA-UHFFFAOYSA-N -1 0 385.373 3.592 20 5 GHBDRM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000577821935 834890079 /nfs/dbraw/zinc/89/00/79/834890079.db2.gz HGJQEZOIOBANID-UHFFFAOYSA-N -1 0 394.334 3.806 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)nn2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000409580290 834899317 /nfs/dbraw/zinc/89/93/17/834899317.db2.gz FSEKXAUJOAPRQF-UHFFFAOYSA-N -1 0 394.497 3.953 20 5 GHBDRM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000187023470 834976838 /nfs/dbraw/zinc/97/68/38/834976838.db2.gz JEMLGOBTPOPRTB-GTNSWQLSSA-N -1 0 376.796 3.556 20 5 GHBDRM CCc1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)sc1C ZINC000179020659 835321858 /nfs/dbraw/zinc/32/18/58/835321858.db2.gz ALOBITFOBIJCJO-UHFFFAOYSA-N -1 0 395.384 3.742 20 5 GHBDRM O=C([O-])c1cc(N[C@@H]2CCN(c3ccccc3OC(F)F)C2)ccc1[N+](=O)[O-] ZINC000583996752 835373972 /nfs/dbraw/zinc/37/39/72/835373972.db2.gz AQUUWGNVGOPLQE-GFCCVEGCSA-N -1 0 393.346 3.585 20 5 GHBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000612735354 836676806 /nfs/dbraw/zinc/67/68/06/836676806.db2.gz ZJFDMILDWVXTSJ-UHFFFAOYSA-N -1 0 392.824 3.580 20 5 GHBDRM O=C([O-])c1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 ZINC000431204004 844221953 /nfs/dbraw/zinc/22/19/53/844221953.db2.gz RPGWLPQSXGUZAD-UHFFFAOYSA-N -1 0 376.343 3.771 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc(Br)s2)ccc1[N+](=O)[O-] ZINC000043570352 837324671 /nfs/dbraw/zinc/32/46/71/837324671.db2.gz HNSGTDSZRZCUJM-UHFFFAOYSA-N -1 0 377.241 3.528 20 5 GHBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-][C@H](C1CCCCC1)C(F)(F)F ZINC000544104294 837866034 /nfs/dbraw/zinc/86/60/34/837866034.db2.gz JVTXCEJBQDSWGG-OAHLLOKOSA-N -1 0 394.415 3.568 20 5 GHBDRM Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000181267112 837922042 /nfs/dbraw/zinc/92/20/42/837922042.db2.gz IRHLTBCZZGKKLE-UHFFFAOYSA-N -1 0 386.589 3.551 20 5 GHBDRM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000103057902 838313636 /nfs/dbraw/zinc/31/36/36/838313636.db2.gz XKKXDMFAHORVRO-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000122835231 838390757 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0 390.779 3.590 20 5 GHBDRM Cc1c(Br)cccc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000171013012 861235551 /nfs/dbraw/zinc/23/55/51/861235551.db2.gz YIFGGVRRBOCQTB-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccn([C@H](C)c2ccccc2)n1 ZINC000610733917 842004670 /nfs/dbraw/zinc/00/46/70/842004670.db2.gz IMSIYKHFPMPODL-CQSZACIVSA-N -1 0 386.433 3.510 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000093760094 842566099 /nfs/dbraw/zinc/56/60/99/842566099.db2.gz OGLIBXPGQFYCMR-QGZVFWFLSA-N -1 0 382.338 3.893 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000093760092 842566449 /nfs/dbraw/zinc/56/64/49/842566449.db2.gz OGLIBXPGQFYCMR-KRWDZBQOSA-N -1 0 382.338 3.893 20 5 GHBDRM O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432495730 842694662 /nfs/dbraw/zinc/69/46/62/842694662.db2.gz SFMRYPHADCHJKE-UHFFFAOYSA-N -1 0 397.412 3.795 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)[nH]n2)s1 ZINC000610663094 843440066 /nfs/dbraw/zinc/44/00/66/843440066.db2.gz CKZWOOSDYLLYBE-UHFFFAOYSA-N -1 0 384.826 3.501 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000187646257 843462791 /nfs/dbraw/zinc/46/27/91/843462791.db2.gz CRJPWIQRZRQOQB-INIZCTEOSA-N -1 0 396.321 3.533 20 5 GHBDRM Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C(F)(F)F)c1 ZINC000512440804 843811640 /nfs/dbraw/zinc/81/16/40/843811640.db2.gz ISPBTFVNRMWFFI-GFCCVEGCSA-N -1 0 380.369 3.547 20 5 GHBDRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000785092220 845213050 /nfs/dbraw/zinc/21/30/50/845213050.db2.gz WPMRLYZGMBHEGT-GFCCVEGCSA-N -1 0 394.474 3.604 20 5 GHBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000503027523 846722998 /nfs/dbraw/zinc/72/29/98/846722998.db2.gz BDQURSXEKFTCPV-UHFFFAOYSA-N -1 0 380.495 3.920 20 5 GHBDRM CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1Br 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/nfs/dbraw/zinc/52/42/72/848524272.db2.gz YGNVXTXGLCGCEL-UHFFFAOYSA-N -1 0 395.412 3.519 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000572875202 848561045 /nfs/dbraw/zinc/56/10/45/848561045.db2.gz WQIXTDNWCPUGQR-UHFFFAOYSA-N -1 0 383.379 3.941 20 5 GHBDRM Cc1ccccc1C([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1C ZINC000583136891 849152574 /nfs/dbraw/zinc/15/25/74/849152574.db2.gz YEDHRPTWPVXLGJ-UHFFFAOYSA-N -1 0 397.456 3.675 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)ccc1[N+](=O)[O-] ZINC000504045896 849854187 /nfs/dbraw/zinc/85/41/87/849854187.db2.gz SFPFUTGUIABDQJ-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM Cc1cc(NCc2ccncc2OCC(F)(F)F)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000514674537 850148123 /nfs/dbraw/zinc/14/81/23/850148123.db2.gz BIGMOZIXTBFAOM-UHFFFAOYSA-N -1 0 385.298 3.550 20 5 GHBDRM COCc1cc(Cl)ccc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000424081328 850192594 /nfs/dbraw/zinc/19/25/94/850192594.db2.gz JRGHDKQUTIBMFY-UHFFFAOYSA-N -1 0 384.841 3.812 20 5 GHBDRM C[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccc(Br)cc1F ZINC000426531117 850588659 /nfs/dbraw/zinc/58/86/59/850588659.db2.gz QXFUVPHDVGQZTM-QMMMGPOBSA-N -1 0 383.173 3.693 20 5 GHBDRM O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506726049 850611823 /nfs/dbraw/zinc/61/18/23/850611823.db2.gz RXSXUGIPQRFODZ-UHFFFAOYSA-N -1 0 391.286 3.809 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc(Oc2ccccn2)cc1 ZINC000505299325 850801824 /nfs/dbraw/zinc/80/18/24/850801824.db2.gz IPGSHJQJPXFRMC-UHFFFAOYSA-N -1 0 389.364 3.722 20 5 GHBDRM O=c1[nH]c(C=Cc2ccc([O-])c([N+](=O)[O-])c2)nc2ccc(Br)cc12 ZINC000515470942 851066644 /nfs/dbraw/zinc/06/66/44/851066644.db2.gz DBMTXBRTJHQOOS-KXFIGUGUSA-N -1 0 388.177 3.882 20 5 GHBDRM CCc1nc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1C(=O)[O-] ZINC000426651039 851130015 /nfs/dbraw/zinc/13/00/15/851130015.db2.gz JFSRXPDHGQIPTG-UHFFFAOYSA-N -1 0 381.388 3.800 20 5 GHBDRM Cc1cc(NC[C@H](c2c(F)cccc2F)N(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910355329 851169737 /nfs/dbraw/zinc/16/97/37/851169737.db2.gz JPTWYIGFDBYVHM-OAHLLOKOSA-N -1 0 379.363 3.594 20 5 GHBDRM Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000101850445 851936924 /nfs/dbraw/zinc/93/69/24/851936924.db2.gz VJMWYOPEBWQJJY-UHFFFAOYSA-N -1 0 387.392 3.905 20 5 GHBDRM CCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000436494996 851971089 /nfs/dbraw/zinc/97/10/89/851971089.db2.gz NAQKPEQPGOVHDD-AWEZNQCLSA-N -1 0 385.420 3.570 20 5 GHBDRM O=C(Nc1ccc(Cn2cnc3ccccc32)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506209278 852274715 /nfs/dbraw/zinc/27/47/15/852274715.db2.gz VHKPYNPNCHSHFP-UHFFFAOYSA-N -1 0 388.383 3.951 20 5 GHBDRM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436967270 852538041 /nfs/dbraw/zinc/53/80/41/852538041.db2.gz QCTKQICQWMJKJD-ZDUSSCGKSA-N -1 0 383.404 3.567 20 5 GHBDRM CC[C@@](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507334911 852782896 /nfs/dbraw/zinc/78/28/96/852782896.db2.gz SBOXFMPDNNRYTH-SFHVURJKSA-N -1 0 376.796 3.677 20 5 GHBDRM C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506361195 852843340 /nfs/dbraw/zinc/84/33/40/852843340.db2.gz HEGXSSXIBZXAKN-DIFFPNOSSA-N -1 0 376.796 3.556 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccnn1-c1ccc(Cl)cc1 ZINC000437308414 853002815 /nfs/dbraw/zinc/00/28/15/853002815.db2.gz SBBOJARSSZADGB-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000507650936 853139211 /nfs/dbraw/zinc/13/92/11/853139211.db2.gz BYNPPGKVBZRNRL-UHFFFAOYSA-N -1 0 391.355 3.878 20 5 GHBDRM Cc1cc(N2CCN(c3nccc4sccc43)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000517238254 853547977 /nfs/dbraw/zinc/54/79/77/853547977.db2.gz FXBSVORAMHOLOC-UHFFFAOYSA-N -1 0 398.444 3.538 20 5 GHBDRM 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ZINC000809847069 887863857 /nfs/dbraw/zinc/86/38/57/887863857.db2.gz ORTPKKFWXBZWNS-SNVBAGLBSA-N -1 0 393.170 3.521 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)nn1C1CCCCC1 ZINC000575963177 888363528 /nfs/dbraw/zinc/36/35/28/888363528.db2.gz HPMDIVSDKRCHQD-UHFFFAOYSA-N -1 0 378.454 3.714 20 5 GHBDRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000814014318 892154816 /nfs/dbraw/zinc/15/48/16/892154816.db2.gz CTLGMAXYFGZPNE-MRXNPFEDSA-N -1 0 394.474 3.528 20 5 GHBDRM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1 ZINC000918146157 893227698 /nfs/dbraw/zinc/22/76/98/893227698.db2.gz QOCJAMWZLUGCEY-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])sc1-c1ccccc1 ZINC000918192701 893339094 /nfs/dbraw/zinc/33/90/94/893339094.db2.gz VRXCKXVZGROROJ-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM CCC[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)c2C1 ZINC000130563987 893370073 /nfs/dbraw/zinc/37/00/73/893370073.db2.gz 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O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2ccc(O)cc21 ZINC000778567939 896827076 /nfs/dbraw/zinc/82/70/76/896827076.db2.gz UDIAYBHLFPPOSG-UHFFFAOYSA-N -1 0 378.793 3.908 20 5 GHBDRM CC(C)(CNC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(Br)cc1 ZINC001136261163 896965770 /nfs/dbraw/zinc/96/57/70/896965770.db2.gz QENSWHHIKNXZMH-UHFFFAOYSA-N -1 0 393.237 3.771 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccc2F)c1Cl ZINC000821118674 897720688 /nfs/dbraw/zinc/72/06/88/897720688.db2.gz FGSSEQNREUMOAX-UHFFFAOYSA-N -1 0 383.159 3.981 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cc1F ZINC000821150600 897764423 /nfs/dbraw/zinc/76/44/23/897764423.db2.gz HONQGLAHJINCHC-UHFFFAOYSA-N -1 0 395.195 3.850 20 5 GHBDRM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001136482287 898013008 /nfs/dbraw/zinc/01/30/08/898013008.db2.gz WZYKOMUSFQCSPV-CQSZACIVSA-N -1 0 397.431 3.876 20 5 GHBDRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)s1 ZINC000569461839 898684431 /nfs/dbraw/zinc/68/44/31/898684431.db2.gz GWRUZOJLYOCBFZ-UHFFFAOYSA-N -1 0 383.495 3.976 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccc(COC3CCOCC3)cc2)c1 ZINC000569813900 898966300 /nfs/dbraw/zinc/96/63/00/898966300.db2.gz OUCGZGHKCSAPQK-UHFFFAOYSA-N -1 0 386.404 3.601 20 5 GHBDRM O=C(N[C@@H](COc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001136711441 898992897 /nfs/dbraw/zinc/99/28/97/898992897.db2.gz UECOJEKLOVWKTH-IBGZPJMESA-N -1 0 378.384 3.851 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000570592233 899416198 /nfs/dbraw/zinc/41/61/98/899416198.db2.gz KKZOWOUJOUIAPL-UHFFFAOYSA-N -1 0 390.339 3.753 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000571203152 899782100 /nfs/dbraw/zinc/78/21/00/899782100.db2.gz QZCVMVWJXKKLHQ-WCBMZHEXSA-N -1 0 386.779 3.648 20 5 GHBDRM O=C([O-])CCCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000571649812 899936616 /nfs/dbraw/zinc/93/66/16/899936616.db2.gz VZGMXXRBMGBSFW-UHFFFAOYSA-N -1 0 396.403 3.512 20 5 GHBDRM O=C([O-])Cc1ccc(N2CC[C@H](Oc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC000844213434 900608405 /nfs/dbraw/zinc/60/84/05/900608405.db2.gz XZAAIPYRNBEVEC-ZDUSSCGKSA-N -1 0 376.796 3.533 20 5 GHBDRM O=C([O-])/C=C/c1ccc(NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000844215166 900609887 /nfs/dbraw/zinc/60/98/87/900609887.db2.gz ZQZNJXHUWSXFNI-QTYSSTRNSA-N -1 0 388.342 3.588 20 5 GHBDRM CC(C)c1ccc(C[NH+]2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC000844215884 900611230 /nfs/dbraw/zinc/61/12/30/900611230.db2.gz KFCPOQDOEQFRIC-UHFFFAOYSA-N -1 0 397.475 3.668 20 5 GHBDRM O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cccc([N+](=O)[O-])c1[O-] ZINC001144380044 901963454 /nfs/dbraw/zinc/96/34/54/901963454.db2.gz HWYWAGMKWOFYDP-UHFFFAOYSA-N -1 0 383.385 3.611 20 5 GHBDRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000576927593 902367029 /nfs/dbraw/zinc/36/70/29/902367029.db2.gz VVDFFORRQATSQQ-LRDDRELGSA-N -1 0 379.388 3.621 20 5 GHBDRM CCCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1OC ZINC000600665779 902800760 /nfs/dbraw/zinc/80/07/60/902800760.db2.gz XKBDVMJTXGLJAB-UHFFFAOYSA-N -1 0 386.451 3.563 20 5 GHBDRM COc1ccc([C@H]2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)cc1F ZINC000600774645 902893693 /nfs/dbraw/zinc/89/36/93/902893693.db2.gz FBTKTKZSNLOQJB-NSHDSACASA-N -1 0 394.786 3.731 20 5 GHBDRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000600871037 903031759 /nfs/dbraw/zinc/03/17/59/903031759.db2.gz BGOJJXSUGDUVCI-ZWKOTPCHSA-N -1 0 383.404 3.614 20 5 GHBDRM Cc1cc(C)cc([C@H](NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000578208021 903614149 /nfs/dbraw/zinc/61/41/49/903614149.db2.gz LTWYUEVXSLXPRN-KSSFIOAISA-N -1 0 385.420 3.706 20 5 GHBDRM CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000578325598 903735130 /nfs/dbraw/zinc/73/51/30/903735130.db2.gz SAOJRGRRNPNBFT-UHFFFAOYSA-N -1 0 394.811 3.633 20 5 GHBDRM CC[C@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000578326380 903737148 /nfs/dbraw/zinc/73/71/48/903737148.db2.gz UNIHPQQREFUQFC-ZDUSSCGKSA-N -1 0 375.381 3.577 20 5 GHBDRM CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C12CCC2 ZINC001147406574 903782414 /nfs/dbraw/zinc/78/24/14/903782414.db2.gz NAHDQUFTRFGTLZ-ZIAGYGMSSA-N -1 0 382.844 3.810 20 5 GHBDRM NC(=O)c1cc(-c2ccccc2)sc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503426 907078633 /nfs/dbraw/zinc/07/86/33/907078633.db2.gz OKEBHOFLJMVAIZ-UHFFFAOYSA-N -1 0 383.385 3.864 20 5 GHBDRM COC(=O)c1c(Cl)cc(Cl)nc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174502800 907079255 /nfs/dbraw/zinc/07/92/55/907079255.db2.gz IDEMURXKJXHVJQ-UHFFFAOYSA-N -1 0 386.147 3.525 20 5 GHBDRM O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000181913617 907099066 /nfs/dbraw/zinc/09/90/66/907099066.db2.gz AQEBJHLOVCLOKC-UHFFFAOYSA-N -1 0 388.807 3.689 20 5 GHBDRM CN(C(=O)OC(C)(C)C)c1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC001176673167 908201988 /nfs/dbraw/zinc/20/19/88/908201988.db2.gz TXXIWHJOEWKFRN-UHFFFAOYSA-N -1 0 388.380 3.803 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000290974634 914893093 /nfs/dbraw/zinc/89/30/93/914893093.db2.gz RCJSIGTXSBOVJB-UHFFFAOYSA-N -1 0 385.351 3.601 20 5 GHBDRM O=C([N-][C@@H]1CN(c2ccsc2[N+](=O)[O-])CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001187091301 915029121 /nfs/dbraw/zinc/02/91/21/915029121.db2.gz PRYOCALPWDZBTA-CHWSQXEVSA-N -1 0 399.394 3.697 20 5 GHBDRM CSCCCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001189128677 916416477 /nfs/dbraw/zinc/41/64/77/916416477.db2.gz YRLFHONJRBDQDP-UHFFFAOYSA-N -1 0 384.882 3.589 20 5 GHBDRM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001191916366 918320300 /nfs/dbraw/zinc/32/03/00/918320300.db2.gz QEXAYVFLXFODNT-MGCOHNPYSA-N -1 0 397.280 3.526 20 5 GHBDRM CCC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)sc2C1 ZINC000409670480 924874176 /nfs/dbraw/zinc/87/41/76/924874176.db2.gz YIKFEFBXACSQBB-SNVBAGLBSA-N -1 0 399.469 3.896 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ccc3ccc(Cl)cc3n2)c([N+](=O)[O-])c1 ZINC000410335361 925540905 /nfs/dbraw/zinc/54/09/05/925540905.db2.gz PKOLCRZMHHJSGT-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2cccc(Br)c2F)cccc1[N+](=O)[O-] ZINC000410356966 925558360 /nfs/dbraw/zinc/55/83/60/925558360.db2.gz YAOSIXZPQXLHNU-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2F)ccc1[O-] ZINC000410414253 925621883 /nfs/dbraw/zinc/62/18/83/925621883.db2.gz ACEWEKWSDHPZHR-UHFFFAOYSA-N -1 0 381.168 3.547 20 5 GHBDRM COc1ccc2nc(Cl)ccc2c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000751259709 928097312 /nfs/dbraw/zinc/09/73/12/928097312.db2.gz CQBMUJQXAVCIKN-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000543856564 928502342 /nfs/dbraw/zinc/50/23/42/928502342.db2.gz IIOGVDNHMMFEPW-UHFFFAOYSA-N -1 0 391.430 3.528 20 5 GHBDRM CC(C)(C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1Br ZINC000467507105 929141277 /nfs/dbraw/zinc/14/12/77/929141277.db2.gz YZGSDMNYIIYNGD-UHFFFAOYSA-N -1 0 379.210 3.979 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000753069280 929189970 /nfs/dbraw/zinc/18/99/70/929189970.db2.gz SAYGIGQDIAWOGK-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM CN(C)[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(Cl)c1 ZINC000544662042 929400942 /nfs/dbraw/zinc/40/09/42/929400942.db2.gz GETYHWNKQKVTAH-CQSZACIVSA-N -1 0 384.219 3.849 20 5 GHBDRM CN(C)[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(Cl)c1 ZINC000544661759 929401139 /nfs/dbraw/zinc/40/11/39/929401139.db2.gz GETYHWNKQKVTAH-AWEZNQCLSA-N -1 0 384.219 3.849 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C2CCC(F)(F)CC2)c1Cl ZINC000830976462 929576847 /nfs/dbraw/zinc/57/68/47/929576847.db2.gz GODYSHZRBWRUFQ-UHFFFAOYSA-N -1 0 389.207 3.758 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc1[N+](=O)[O-] ZINC000753963678 929613204 /nfs/dbraw/zinc/61/32/04/929613204.db2.gz SXFHBWJBRABJBZ-UHFFFAOYSA-N -1 0 377.205 3.716 20 5 GHBDRM CC(C)(C)OC(=O)NC(C)(C)CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000758469867 930055807 /nfs/dbraw/zinc/05/58/07/930055807.db2.gz UQMQDDQKGBIGTE-UHFFFAOYSA-N -1 0 387.820 3.586 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000758947941 930226655 /nfs/dbraw/zinc/22/66/55/930226655.db2.gz WZVIWAIWXPTHLV-UHFFFAOYSA-N -1 0 395.618 3.713 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cncc3ccccc32)cc1[N+](=O)[O-] ZINC000759109399 930276902 /nfs/dbraw/zinc/27/69/02/930276902.db2.gz XGDFPVQTKADPHF-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000780418265 930512933 /nfs/dbraw/zinc/51/29/33/930512933.db2.gz QRFKYJFTYYEGSJ-UHFFFAOYSA-N -1 0 382.825 3.868 20 5 GHBDRM O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3cccc(C(F)F)c3)ccc2c1 ZINC000780713077 930583187 /nfs/dbraw/zinc/58/31/87/930583187.db2.gz INWFIOSKAOSZGV-UHFFFAOYSA-N -1 0 379.344 3.881 20 5 GHBDRM Cc1nc2cc([N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])ccc2s1 ZINC000781116799 930705179 /nfs/dbraw/zinc/70/51/79/930705179.db2.gz IZCKVQIGNFKCKE-UHFFFAOYSA-N -1 0 377.447 3.931 20 5 GHBDRM Cc1sc(C(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)cc1[N+](=O)[O-] ZINC000470637537 930773490 /nfs/dbraw/zinc/77/34/90/930773490.db2.gz ZCTGZFMVPXGWAQ-UHFFFAOYSA-N -1 0 398.828 3.950 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Br)c2)cc1F ZINC000782264840 931147249 /nfs/dbraw/zinc/14/72/49/931147249.db2.gz MUZDSKMJTUKICP-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM COc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000797738686 932388402 /nfs/dbraw/zinc/38/84/02/932388402.db2.gz HSLLIKZDSHIOGW-GOSISDBHSA-N -1 0 395.371 3.704 20 5 GHBDRM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1Cl ZINC000798247075 932575968 /nfs/dbraw/zinc/57/59/68/932575968.db2.gz ODAWJEVLVDYUFO-UHFFFAOYSA-N -1 0 396.730 3.790 20 5 GHBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)s1 ZINC000560009371 933018073 /nfs/dbraw/zinc/01/80/73/933018073.db2.gz JAIGLSGJQRYRKY-UHFFFAOYSA-N -1 0 398.462 3.541 20 5 GHBDRM O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001137529131 935563736 /nfs/dbraw/zinc/56/37/36/935563736.db2.gz BTSPYHVMCPWJRC-UHFFFAOYSA-N -1 0 377.328 3.954 20 5 GHBDRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1C ZINC000829902333 935879802 /nfs/dbraw/zinc/87/98/02/935879802.db2.gz BWMJFVBQTMHZLH-MRVPVSSYSA-N -1 0 390.824 3.664 20 5 GHBDRM O=C([O-])c1ccccc1CC(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC001594709874 956871823 /nfs/dbraw/zinc/87/18/23/956871823.db2.gz DQNBNUJXMSTIOG-HXUWFJFHSA-N -1 0 392.367 3.563 20 5 GHBDRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 ZINC001594728488 957025234 /nfs/dbraw/zinc/02/52/34/957025234.db2.gz ZCJFXUBAADIYGB-KGLIPLIRSA-N -1 0 394.305 3.657 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594307861 957983893 /nfs/dbraw/zinc/98/38/93/957983893.db2.gz XLWYVONOGIHVMT-AWEZNQCLSA-N -1 0 381.747 3.643 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc(N([C@H](C)C(=O)[O-])C3CC3)c([N+](=O)[O-])c2)cc1 ZINC001594373741 958570932 /nfs/dbraw/zinc/57/09/32/958570932.db2.gz XKZZNOFBQJQHBM-CYBMUJFWSA-N -1 0 383.404 3.597 20 5 GHBDRM O=C([O-])[C@H]1C[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC001605776747 972487681 /nfs/dbraw/zinc/48/76/81/972487681.db2.gz VAQVVNUXZIPGFE-RBUKOAKNSA-N -1 0 397.431 3.530 20 5 GHBDRM Cc1cc(C(=O)[O-])ccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC001326376796 961085947 /nfs/dbraw/zinc/08/59/47/961085947.db2.gz YTBRXPAAZJOSNV-UHFFFAOYSA-N -1 0 386.407 3.800 20 5 GHBDRM O=C([O-])[C@H]1CCCN(c2ccc(CN(Cc3cccc([N+](=O)[O-])c3)C3CC3)o2)C1 ZINC001574652285 962448460 /nfs/dbraw/zinc/44/84/60/962448460.db2.gz WEWCUNNOZSQLRB-INIZCTEOSA-N -1 0 399.447 3.653 20 5 GHBDRM CC(C)Oc1c(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cccc1C(=O)[O-] ZINC001591745170 975777172 /nfs/dbraw/zinc/77/71/72/975777172.db2.gz YTGAOSJXNXNJKJ-LBPRGKRZSA-N -1 0 387.392 3.963 20 5 GHBDRM CC(C)Oc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(C(=O)[O-])c1 ZINC001591779850 975942871 /nfs/dbraw/zinc/94/28/71/975942871.db2.gz CHMCOYOZVXARGX-NSHDSACASA-N -1 0 390.367 3.962 20 5 GHBDRM CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC001591781193 975951973 /nfs/dbraw/zinc/95/19/73/975951973.db2.gz VLNYPTLPUQQDLJ-JKSUJKDBSA-N -1 0 384.388 3.822 20 5 GHBDRM CC(C)Oc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C(=O)[O-])c1 ZINC001591786559 975956402 /nfs/dbraw/zinc/95/64/02/975956402.db2.gz IGRPMBWDCILBLN-UHFFFAOYSA-N -1 0 397.387 3.743 20 5 GHBDRM CC(C)c1ccc(OC2CCN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)cc1 ZINC001591973616 976578558 /nfs/dbraw/zinc/57/85/58/976578558.db2.gz DNXKBANMDXIZSD-UHFFFAOYSA-N -1 0 385.420 3.859 20 5 GHBDRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)c1cccnc1 ZINC001592298769 977648604 /nfs/dbraw/zinc/64/86/04/977648604.db2.gz VLMUDCRJBYGAIK-HXUWFJFHSA-N -1 0 394.387 3.655 20 5 GHBDRM C[C@@H](CCCc1ccccc1)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001592491829 978284697 /nfs/dbraw/zinc/28/46/97/978284697.db2.gz NRZGXMNSBAMQFE-YCRPNKLZSA-N -1 0 384.432 3.670 20 5 GHBDRM C[C@@H](Cc1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-] ZINC001592857288 979663747 /nfs/dbraw/zinc/66/37/47/979663747.db2.gz HUZLCCSDYWLMLW-NSHDSACASA-N -1 0 378.331 3.589 20 5 GHBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001595213803 980010652 /nfs/dbraw/zinc/01/06/52/980010652.db2.gz XHDHACPAWQVLMY-HNNXBMFYSA-N -1 0 386.404 3.656 20 5 GHBDRM CCC[C@@H]1C[C@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001596011527 983274053 /nfs/dbraw/zinc/27/40/53/983274053.db2.gz ZQUQFLZAMQRVNG-UKPHBRMFSA-N -1 0 399.451 3.515 20 5 GHBDRM CCOc1cc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC001597011505 986357813 /nfs/dbraw/zinc/35/78/13/986357813.db2.gz XBCMNTJYPGCBJK-UHFFFAOYSA-N -1 0 394.405 3.631 20 5 GHBDRM C[C@H]1CN(c2ccc(Nc3ccc(CC(=O)[O-])cc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC001594575283 986410729 /nfs/dbraw/zinc/41/07/29/986410729.db2.gz JRQHRHNSDTXQOX-KBPBESRZSA-N -1 0 385.420 3.579 20 5 GHBDRM CCOc1cc(N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)ccc1[N+](=O)[O-] ZINC001597042504 986493881 /nfs/dbraw/zinc/49/38/81/986493881.db2.gz UNPKQMVGPDTOSG-NSHDSACASA-N -1 0 377.422 3.532 20 5 GHBDRM CCOc1cc(N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)ccc1[N+](=O)[O-] ZINC001597042502 986494074 /nfs/dbraw/zinc/49/40/74/986494074.db2.gz UNPKQMVGPDTOSG-LLVKDONJSA-N -1 0 377.422 3.532 20 5 GHBDRM CCOc1cc(NC(=O)CC2(CC(=O)[O-])CCCC2)c([N+](=O)[O-])cc1OCC ZINC001597042507 986494347 /nfs/dbraw/zinc/49/43/47/986494347.db2.gz UOINPBMLRCXARJ-UHFFFAOYSA-N -1 0 394.424 3.756 20 5 GHBDRM C[C@@H]1Cc2ccccc2N1CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001594623701 986678586 /nfs/dbraw/zinc/67/85/86/986678586.db2.gz IDJIMABVGMOOJZ-LLVKDONJSA-N -1 0 375.812 3.810 20 5 GHBDRM CC(C)(C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC001589576444 987355480 /nfs/dbraw/zinc/35/54/80/987355480.db2.gz NBYGUIVRSNTJPK-UHFFFAOYSA-N -1 0 392.795 3.628 20 5 GHBDRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1 ZINC001589598859 987420261 /nfs/dbraw/zinc/42/02/61/987420261.db2.gz OYDXTSRBIKIWMB-OAHLLOKOSA-N -1 0 376.796 3.830 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001597563462 988315618 /nfs/dbraw/zinc/31/56/18/988315618.db2.gz MJGGPSDZOWRYOS-UHFFFAOYSA-N -1 0 387.367 3.585 20 5 GHBDRM CSc1ccc(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)cc1[N+](=O)[O-] ZINC001599810085 988319345 /nfs/dbraw/zinc/31/93/45/988319345.db2.gz DILGFUIGGMUDIO-VIFPVBQESA-N -1 0 394.380 3.560 20 5 GHBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC001599811034 988334572 /nfs/dbraw/zinc/33/45/72/988334572.db2.gz MASNGCYGWVCXFW-HNNXBMFYSA-N -1 0 392.408 3.710 20 5 GHBDRM CCc1nc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)sc1C(=O)[O-] ZINC001597685646 988839882 /nfs/dbraw/zinc/83/98/82/988839882.db2.gz YVJUETJZASGLOD-UHFFFAOYSA-N -1 0 393.424 3.651 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)cc1[N+](=O)[O-] ZINC001590481917 990076863 /nfs/dbraw/zinc/07/68/63/990076863.db2.gz VQOQJOMKBNXMKX-MRXNPFEDSA-N -1 0 384.432 3.708 20 5 GHBDRM CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-])C1CCC1 ZINC001590749339 990548001 /nfs/dbraw/zinc/54/80/01/990548001.db2.gz MMMORRKOQLQGNK-UHFFFAOYSA-N -1 0 380.466 3.718 20 5 GHBDRM CC(C)(NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001590854583 990734410 /nfs/dbraw/zinc/73/44/10/990734410.db2.gz BHIXWLKAAGHRDL-UHFFFAOYSA-N -1 0 382.376 3.831 20 5 GHBDRM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001591051970 991455484 /nfs/dbraw/zinc/45/54/84/991455484.db2.gz KOQRLZFZAKMUFH-INIZCTEOSA-N -1 0 392.795 3.989 20 5 GHBDRM CN(Cc1ccc(Br)c(F)c1)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001598518955 992654921 /nfs/dbraw/zinc/65/49/21/992654921.db2.gz HBJNAALAMQISLO-UHFFFAOYSA-N -1 0 397.200 3.760 20 5 GHBDRM COc1cccc(-c2cc(CNc3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])on2)c1 ZINC001599639323 994335248 /nfs/dbraw/zinc/33/52/48/994335248.db2.gz NXUKLZCPQYFDLF-SOFGYWHQSA-N -1 0 395.371 3.968 20 5 GHBDRM COc1cccc([C@H]2CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2(C)C)c1 ZINC001599667264 994750674 /nfs/dbraw/zinc/75/06/74/994750674.db2.gz ZBOYOSOXOUGTBA-GOSISDBHSA-N -1 0 398.415 3.710 20 5 GHBDRM C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593365772 995043666 /nfs/dbraw/zinc/04/36/66/995043666.db2.gz JHHCSMJJXAVCHO-BXUZGUMPSA-N -1 0 380.347 3.940 20 5 GHBDRM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001593636972 995939181 /nfs/dbraw/zinc/93/91/81/995939181.db2.gz ZDCQIPXPCJQZJQ-LBPRGKRZSA-N -1 0 386.404 3.997 20 5 GHBDRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001593636967 995939552 /nfs/dbraw/zinc/93/95/52/995939552.db2.gz ZDCQIPXPCJQZJQ-GFCCVEGCSA-N -1 0 386.404 3.997 20 5 GHBDRM C[C@H](Sc1ccccc1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-])C(=O)[O-] ZINC001593673698 996087328 /nfs/dbraw/zinc/08/73/28/996087328.db2.gz POMXCEAXMHLREB-NSHDSACASA-N -1 0 397.412 3.961 20 5 GHBDRM CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CO1 ZINC001593853751 996633612 /nfs/dbraw/zinc/63/36/12/996633612.db2.gz HJRTYYGPPGHNJC-GOSISDBHSA-N -1 0 398.415 3.503 20 5 GHBDRM CC1(C)COc2cc(Nc3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])ccc2NC1=O ZINC001593961114 997088010 /nfs/dbraw/zinc/08/80/10/997088010.db2.gz VMPFYCHBGCBVKT-XBXARRHUSA-N -1 0 397.387 3.793 20 5 GHBDRM COc1cc(Cl)c(Cl)cc1C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001599418519 997552125 /nfs/dbraw/zinc/55/21/25/997552125.db2.gz IJIJEIXACTVARA-UHFFFAOYSA-N -1 0 386.143 3.828 20 5 GHBDRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC001599546352 997929222 /nfs/dbraw/zinc/92/92/22/997929222.db2.gz NGNPVUVWROJKAS-XBXARRHUSA-N -1 0 389.385 3.642 20 5 GHBDRM COc1ccc(CCNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])cc1OC(F)F ZINC001599557040 998111566 /nfs/dbraw/zinc/11/15/66/998111566.db2.gz QCQAEDRHKLANKH-UHFFFAOYSA-N -1 0 396.346 3.866 20 5 GHBDRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001599374591 998467905 /nfs/dbraw/zinc/46/79/05/998467905.db2.gz RWEFKTDXYUXBAU-UHFFFAOYSA-N -1 0 384.266 3.573 20 5 GHBDRM COc1ccc(Cl)cc1[C@H](O)CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001599579884 998511100 /nfs/dbraw/zinc/51/11/00/998511100.db2.gz ZUORCGLJKNWIFX-NKPXIPJASA-N -1 0 392.795 3.500 20 5 GHBDRM C[C@@H]1C[C@H](CC(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC001594231122 998878517 /nfs/dbraw/zinc/87/85/17/998878517.db2.gz AWXXBYQXIXFLOO-JZKQVHKSSA-N -1 0 376.453 3.863 20 5 GHBDRM C[C@@H]1CC[C@@](NC(=O)CCc2cccc([N+](=O)[O-])c2)(C(=O)[O-])c2ccccc21 ZINC001594314437 999216667 /nfs/dbraw/zinc/21/66/67/999216667.db2.gz QSKCRSINGXCGCV-SZNDQCEHSA-N -1 0 382.416 3.521 20 5 GHBDRM Cc1cccc2c1N(C1CC1)CCN2C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001154550796 1032178099 /nfs/dbraw/zinc/17/80/99/1032178099.db2.gz XXKVSBORFYHGFC-UHFFFAOYSA-N -1 0 387.823 3.891 20 5 GHBDRM O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@@H]2CC[C@H](OCc3ccccc3)C2)[n-]1 ZINC001227095124 1032268335 /nfs/dbraw/zinc/26/83/35/1032268335.db2.gz NHBHBHUXRGPTFG-JKSUJKDBSA-N -1 0 381.388 3.760 20 5 GHBDRM CC1=C[C@H](Oc2ccc3c(c2)oc2c3c(=O)oc3cc([O-])ccc23)CC(=O)O1 ZINC001227518323 1032449779 /nfs/dbraw/zinc/44/97/79/1032449779.db2.gz QTKAWKSUYKWKAX-ZDUSSCGKSA-N -1 0 378.336 3.996 20 5 GHBDRM CSc1nc(O[C@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227625298 1032490369 /nfs/dbraw/zinc/49/03/69/1032490369.db2.gz VGKUWVURCYSTQP-SSDOTTSWSA-N -1 0 375.328 3.971 20 5 GHBDRM CSc1nc(O[C@H](C)c2ncc(C(F)(F)F)cc2F)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227629317 1032492583 /nfs/dbraw/zinc/49/25/83/1032492583.db2.gz UZGQMTMYFLIYJC-RXMQYKEDSA-N -1 0 394.306 3.505 20 5 GHBDRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000777688020 1017513474 /nfs/dbraw/zinc/51/34/74/1017513474.db2.gz UMRSBHCZSZMTKS-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000777933738 1017875802 /nfs/dbraw/zinc/87/58/02/1017875802.db2.gz JSCPHIHYRSBSKI-UHFFFAOYSA-N -1 0 380.397 3.632 20 5 GHBDRM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2C)cc1[N+](=O)[O-] ZINC000567899034 1019353493 /nfs/dbraw/zinc/35/34/93/1019353493.db2.gz LSEPRULUDVIXFP-UHFFFAOYSA-N -1 0 389.355 3.680 20 5 GHBDRM C[C@@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])c1ncc(C(F)(F)F)cc1F ZINC001228610006 1033006498 /nfs/dbraw/zinc/00/64/98/1033006498.db2.gz LNLPPYQJOFIFEZ-ZCFIWIBFSA-N -1 0 388.277 3.661 20 5 GHBDRM O=C(c1ccccc1)[C@@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228602480 1033002735 /nfs/dbraw/zinc/00/27/35/1033002735.db2.gz CABRWGQMDHGHNJ-SFHVURJKSA-N -1 0 391.383 3.971 20 5 GHBDRM C[C@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])c1ccc(Br)cc1 ZINC001228604573 1033002766 /nfs/dbraw/zinc/00/27/66/1033002766.db2.gz UZGIOCHYBSRPTI-QMMMGPOBSA-N -1 0 380.198 3.870 20 5 GHBDRM COc1cccc(Cc2cnc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)s2)c1 ZINC000780331269 1023481606 /nfs/dbraw/zinc/48/16/06/1023481606.db2.gz RQEWCJODURPOPZ-UHFFFAOYSA-N -1 0 385.401 3.609 20 5 GHBDRM COc1ccc(COc2cc(O)cc([O-])c2[N+](=O)[O-])cc1OC1CCCC1 ZINC001228969903 1033208362 /nfs/dbraw/zinc/20/83/62/1033208362.db2.gz DWESOBSMFONPGX-UHFFFAOYSA-N -1 0 375.377 3.915 20 5 GHBDRM CC[C@H](C)OC(=O)N1CCCC[C@@H]1CCOc1cc(O)cc([O-])c1[N+](=O)[O-] ZINC001228972507 1033210232 /nfs/dbraw/zinc/21/02/32/1033210232.db2.gz XCOLWSWDMLQHTR-QWHCGFSZSA-N -1 0 382.413 3.565 20 5 GHBDRM Cc1nc(SC(F)F)sc1CC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837697024 1024640391 /nfs/dbraw/zinc/64/03/91/1024640391.db2.gz UQHGFVWNPAVCFH-UHFFFAOYSA-N -1 0 390.389 3.666 20 5 GHBDRM CC(C)N(CC1CCC1)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000839739533 1026239807 /nfs/dbraw/zinc/23/98/07/1026239807.db2.gz BIOWCPZCFUEUOY-UHFFFAOYSA-N -1 0 392.843 3.790 20 5 GHBDRM O=C(N[C@H]1CCOc2c(Cl)c(Cl)ccc21)c1cccc([N+](=O)[O-])c1[O-] ZINC001140083216 1026860976 /nfs/dbraw/zinc/86/09/76/1026860976.db2.gz OGRSUCZFNHXVPV-NSHDSACASA-N -1 0 383.187 3.861 20 5 GHBDRM COC(=O)c1cc(C)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c(Br)c1 ZINC001210398565 1027489872 /nfs/dbraw/zinc/48/98/72/1027489872.db2.gz MOSDQKDAIOWFRX-UHFFFAOYSA-N -1 0 381.182 3.902 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C1CCCCC1)C(F)(F)F ZINC001211477039 1027978898 /nfs/dbraw/zinc/97/88/98/1027978898.db2.gz LLYMVYZXJKJOAK-AWEZNQCLSA-N -1 0 380.388 3.693 20 5 GHBDRM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccc21 ZINC001213370437 1028143908 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ZHJBUFCWQZNCSE-CQSZACIVSA-N -1 0 395.455 3.997 20 5 GHBDRM CC(C)=CCc1c([O-])cc(O[C@H]2C[C@H](O)C2)c2c(=O)c3cccc(O)c3oc12 ZINC001218367728 1030910768 /nfs/dbraw/zinc/91/07/68/1030910768.db2.gz YWQXGHLGRFMHOG-JOCQHMNTSA-N -1 0 382.412 3.768 20 5 GHBDRM CC[C@H](NC(=O)c1cccc(Br)c1[O-])c1cccc([N+](=O)[O-])c1 ZINC001152973636 1031413462 /nfs/dbraw/zinc/41/34/62/1031413462.db2.gz BMXJEWOCKSTWFN-AWEZNQCLSA-N -1 0 379.210 3.944 20 5 GHBDRM O=C(Cc1cc(Br)ccc1Cl)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001153454635 1031600026 /nfs/dbraw/zinc/60/00/26/1031600026.db2.gz DBZVKTGEPNXDMO-UHFFFAOYSA-N -1 0 385.601 3.898 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC001153759791 1031732788 /nfs/dbraw/zinc/73/27/88/1031732788.db2.gz VHZUSJZAJUMDTL-OAHLLOKOSA-N -1 0 397.214 3.821 20 5 GHBDRM CCOC(=O)[C@@H](Oc1ccc2c(c1)oc1cc(O)ccc1c2=O)C(F)(F)F ZINC001229515507 1033533449 /nfs/dbraw/zinc/53/34/49/1033533449.db2.gz UDJRTENROBHROD-MRXNPFEDSA-N -1 0 382.290 3.525 20 5 GHBDRM 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Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H]2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)[n-]1 ZINC001231258790 1034489566 /nfs/dbraw/zinc/48/95/66/1034489566.db2.gz CNFUUPZXOUGCBR-AUUYWEPGSA-N -1 0 393.440 3.562 20 5 GHBDRM C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nccn1-c1ccccc1 ZINC001160260074 1034921982 /nfs/dbraw/zinc/92/19/82/1034921982.db2.gz XFDMEDPNROIYJH-NSHDSACASA-N -1 0 386.795 3.631 20 5 GHBDRM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001160888558 1035087145 /nfs/dbraw/zinc/08/71/45/1035087145.db2.gz QRPRPDNNBSFLKY-ADLMAVQZSA-N -1 0 392.843 3.838 20 5 GHBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(F)c1[O-] ZINC001161068132 1035132420 /nfs/dbraw/zinc/13/24/20/1035132420.db2.gz VDGOKOVBAVXVGM-UHFFFAOYSA-N -1 0 387.136 3.902 20 5 GHBDRM CCc1c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])onc1C(F)(F)F ZINC001161190860 1035172965 /nfs/dbraw/zinc/17/29/65/1035172965.db2.gz CFVRSGKGZXRARH-UHFFFAOYSA-N -1 0 379.678 3.775 20 5 GHBDRM CC(C)=CCc1c([O-])cc2oc3ccc(O)cc3c(=O)c2c1OC[C@@H]1COCO1 ZINC001234742318 1040267613 /nfs/dbraw/zinc/26/76/13/1040267613.db2.gz WPXVPNOVIDATIF-AWEZNQCLSA-N -1 0 398.411 3.618 20 5 GHBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC001296861342 1045390707 /nfs/dbraw/zinc/39/07/07/1045390707.db2.gz QSQKQCKZFYLYCA-UHFFFAOYSA-N -1 0 399.432 3.758 20 5 GHBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001298243880 1045748083 /nfs/dbraw/zinc/74/80/83/1045748083.db2.gz ZOBOARVRJWAYTQ-SSDOTTSWSA-N -1 0 395.202 3.975 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@H]1c1ccc(Br)cc1 ZINC001301291649 1046458664 /nfs/dbraw/zinc/45/86/64/1046458664.db2.gz OLOHFFPMQBGULS-AWEZNQCLSA-N -1 0 377.194 3.650 20 5 GHBDRM O=C([N-]c1nnc(-c2c(F)cccc2F)s1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001287631206 1048856792 /nfs/dbraw/zinc/85/67/92/1048856792.db2.gz AFUMAIURKXJWKQ-UHFFFAOYSA-N -1 0 398.297 3.922 20 5 GHBDRM 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ZINC001436378159 1063413651 /nfs/dbraw/zinc/41/36/51/1063413651.db2.gz FSSGNELERCSJGQ-UHFFFAOYSA-N -1 0 388.380 3.822 20 5 GHBDRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(Nc2ncc(Cl)cc2[N+](=O)[O-])c1 ZINC001458387558 1063777453 /nfs/dbraw/zinc/77/74/53/1063777453.db2.gz YAWPWNWEERWIIM-UHFFFAOYSA-N -1 0 388.733 3.874 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1c[nH]c2ccc(Br)cc12 ZINC001464516468 1065057467 /nfs/dbraw/zinc/05/74/67/1065057467.db2.gz UZIITCMGRAAYJC-UHFFFAOYSA-N -1 0 396.222 3.639 20 5 GHBDRM Cc1cccnc1[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)(C)C ZINC001464754191 1065192763 /nfs/dbraw/zinc/19/27/63/1065192763.db2.gz AOXDRPNLPSQKCM-INIZCTEOSA-N -1 0 381.429 3.503 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001466409105 1066137951 /nfs/dbraw/zinc/13/79/51/1066137951.db2.gz UVXDVCVKVSDZAL-GFCCVEGCSA-N -1 0 391.594 3.933 20 5 GHBDRM O=C(Nc1nccc(Br)c1[O-])c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001470751609 1072721019 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GHBDRM CSc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000738200241 600320628 /nfs/dbraw/zinc/32/06/28/600320628.db2.gz WLKHVCQNQKJSFR-AWEZNQCLSA-N -1 0 381.793 3.953 20 5 GHBDRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736717182 600441731 /nfs/dbraw/zinc/44/17/31/600441731.db2.gz LSYWSPGKBCUDDN-LLVKDONJSA-N -1 0 392.795 3.545 20 5 GHBDRM O=C([O-])c1cc(OCC(=O)Nc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000739327924 600442307 /nfs/dbraw/zinc/44/23/07/600442307.db2.gz CULPUCREYSEPGC-UHFFFAOYSA-N -1 0 385.159 3.617 20 5 GHBDRM Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738603981 600462826 /nfs/dbraw/zinc/46/28/26/600462826.db2.gz ASAKFWNLYADSGT-JTQLQIEISA-N -1 0 378.768 3.661 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2ccc(OCc3ccccc3)nc2)cc([N+](=O)[O-])c1 ZINC000740088576 600542937 /nfs/dbraw/zinc/54/29/37/600542937.db2.gz KWOHVRHLSUVNCH-UHFFFAOYSA-N -1 0 393.355 3.519 20 5 GHBDRM 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CCO[C@H](C)c1nc(CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cs1 ZINC000542753411 855634466 /nfs/dbraw/zinc/63/44/66/855634466.db2.gz UBJCDPMICZKJMG-MRVPVSSYSA-N -1 0 385.829 3.689 20 5 GHBDRM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2o1 ZINC000482127578 862739698 /nfs/dbraw/zinc/73/96/98/862739698.db2.gz DLWYWXCIKGCLQT-UHFFFAOYSA-N -1 0 375.406 3.834 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c2ncccc12 ZINC000184807499 856058090 /nfs/dbraw/zinc/05/80/90/856058090.db2.gz AXVYVJGCVRBRLA-UHFFFAOYSA-N -1 0 395.343 3.545 20 5 GHBDRM Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000499504596 857032739 /nfs/dbraw/zinc/03/27/39/857032739.db2.gz SMZQFSKKQPNGOU-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM O=C([O-])CCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000428098433 857096371 /nfs/dbraw/zinc/09/63/71/857096371.db2.gz VOMSECGIZIUWSZ-UHFFFAOYSA-N -1 0 394.836 3.994 20 5 GHBDRM O=C(NCCc1nc(C2CCCCC2)cs1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164609226 862871680 /nfs/dbraw/zinc/87/16/80/862871680.db2.gz HFKKLJRCJODWMT-UHFFFAOYSA-N -1 0 375.450 3.777 20 5 GHBDRM CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000761005606 857140236 /nfs/dbraw/zinc/14/02/36/857140236.db2.gz QNGOGNDXEOLNJJ-UHFFFAOYSA-N -1 0 376.862 3.578 20 5 GHBDRM CCCOc1c(Cl)cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OCC ZINC000486050627 857365712 /nfs/dbraw/zinc/36/57/12/857365712.db2.gz CODHANRWUSNRPV-AATRIKPKSA-N -1 0 395.799 3.807 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(Oc2ccccn2)c1 ZINC000174772256 857381654 /nfs/dbraw/zinc/38/16/54/857381654.db2.gz RLXHTLPZHLUTKY-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cnc(-c3ccc(Cl)cc3)s2)[nH]1 ZINC000486054056 857387748 /nfs/dbraw/zinc/38/77/48/857387748.db2.gz UWENDWIVEVZLGC-WAYWQWQTSA-N -1 0 376.781 3.743 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c2ncccc12 ZINC000184872583 857700794 /nfs/dbraw/zinc/70/07/94/857700794.db2.gz TWPFHYOBGNFBOY-UHFFFAOYSA-N -1 0 396.384 3.599 20 5 GHBDRM O=[N+]([O-])c1cc(CSc2n[n-]c(=NCCc3ccccc3)s2)cs1 ZINC000521187902 857724195 /nfs/dbraw/zinc/72/41/95/857724195.db2.gz RUIDOBSFZFGQSS-UHFFFAOYSA-N -1 0 378.504 3.877 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2SCC(F)F)c1 ZINC000442357013 857749881 /nfs/dbraw/zinc/74/98/81/857749881.db2.gz OZGQDFWRLUJOKE-UHFFFAOYSA-N -1 0 392.380 3.892 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(Cc3cccc(F)c3)s2)s1 ZINC000066000144 857917270 /nfs/dbraw/zinc/91/72/70/857917270.db2.gz WZSCRAREGMCRFO-UHFFFAOYSA-N -1 0 399.450 3.644 20 5 GHBDRM Cc1cc(N2CCC[C@H]2c2nccc(C(F)(F)F)n2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000594736208 858268529 /nfs/dbraw/zinc/26/85/29/858268529.db2.gz LJTXTBMDTMSXLV-NSHDSACASA-N -1 0 396.325 3.752 20 5 GHBDRM O=C([O-])c1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 ZINC000595282281 858459623 /nfs/dbraw/zinc/45/96/23/858459623.db2.gz OMDYYPQBRROTQN-UHFFFAOYSA-N -1 0 387.417 3.975 20 5 GHBDRM COc1cc(S[C@@H](Cc2ccc(C)cc2)C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000575196610 858601522 /nfs/dbraw/zinc/60/15/22/858601522.db2.gz RGYRLKHRGFKIFO-KRWDZBQOSA-N -1 0 377.418 3.708 20 5 GHBDRM Cc1c2nc([N-]S(=O)(=O)Cc3ccccc3[N+](=O)[O-])sc2ccc1F ZINC000546794916 859148258 /nfs/dbraw/zinc/14/82/58/859148258.db2.gz NTVXAPCMSYCNNH-UHFFFAOYSA-N -1 0 381.410 3.594 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N(CC(=O)[O-])CC2CC2)cc1[N+](=O)[O-] ZINC000611463382 859764659 /nfs/dbraw/zinc/76/46/59/859764659.db2.gz AUOUQNISKOHDIG-UHFFFAOYSA-N -1 0 380.466 3.670 20 5 GHBDRM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1OC ZINC000474428950 860070541 /nfs/dbraw/zinc/07/05/41/860070541.db2.gz UUMDVZZOAOTOBO-UHFFFAOYSA-N -1 0 384.747 3.753 20 5 GHBDRM Cc1cc([C@H]2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C2)c(O)cc1Cl ZINC000598331098 860239987 /nfs/dbraw/zinc/23/99/87/860239987.db2.gz NPVBSFLSSHOGSH-LBPRGKRZSA-N -1 0 376.796 3.598 20 5 GHBDRM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c1 ZINC000108759531 860660374 /nfs/dbraw/zinc/66/03/74/860660374.db2.gz FIELFZQLGOBTAB-UHFFFAOYSA-N -1 0 396.222 3.639 20 5 GHBDRM O=C([O-])[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)CC1CC1 ZINC000593697719 860900459 /nfs/dbraw/zinc/90/04/59/860900459.db2.gz DPSWKTNSXPRLRG-ZDUSSCGKSA-N -1 0 392.477 3.860 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ncc(-c2ccccc2)s1 ZINC000603598561 860912788 /nfs/dbraw/zinc/91/27/88/860912788.db2.gz LEHVDXKFDJYEAE-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000156960557 861020726 /nfs/dbraw/zinc/02/07/26/861020726.db2.gz VWECYQXDFZXEPT-UHFFFAOYSA-N -1 0 382.413 3.506 20 5 GHBDRM C[C@H]1CO[C@H](c2ccccc2Cl)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593737802 861114748 /nfs/dbraw/zinc/11/47/48/861114748.db2.gz VJWXHVMAJXHMBP-SGTLLEGYSA-N -1 0 390.823 3.908 20 5 GHBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccccc2Br)ccc1Cl ZINC000007428306 863107665 /nfs/dbraw/zinc/10/76/65/863107665.db2.gz BWIVJYQGQANVHV-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000593922376 863389137 /nfs/dbraw/zinc/38/91/37/863389137.db2.gz QVUFBDWEAJPIIP-SJKOYZFVSA-N -1 0 386.429 3.824 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cnccc1-c1cccc(F)c1 ZINC000439872544 865156399 /nfs/dbraw/zinc/15/63/99/865156399.db2.gz RQZWSXPOBNRWSR-UHFFFAOYSA-N -1 0 387.392 3.905 20 5 GHBDRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(C)cc1 ZINC000739154951 865692479 /nfs/dbraw/zinc/69/24/79/865692479.db2.gz HTXAVUYWNNTGSC-HNNXBMFYSA-N -1 0 390.461 3.600 20 5 GHBDRM Cn1c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2nc1C(C)(C)C ZINC000534059130 866064710 /nfs/dbraw/zinc/06/47/10/866064710.db2.gz MSSXANZZPDSCAF-UHFFFAOYSA-N -1 0 388.449 3.580 20 5 GHBDRM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000444399175 866065147 /nfs/dbraw/zinc/06/51/47/866065147.db2.gz JJSVUUVEKMCOOA-PIGZYNQJSA-N -1 0 376.796 3.556 20 5 GHBDRM 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869481914 /nfs/dbraw/zinc/48/19/14/869481914.db2.gz KTJMSCDLTXKLFG-UHFFFAOYSA-N -1 0 375.233 3.689 20 5 GHBDRM CC(C)CCOc1cccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000920757074 882357813 /nfs/dbraw/zinc/35/78/13/882357813.db2.gz SISUADOYVHVSNX-UHFFFAOYSA-N -1 0 382.413 3.960 20 5 GHBDRM O=C(CCc1nnc(-c2cc3ccccc3o2)o1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000538871248 870796713 /nfs/dbraw/zinc/79/67/13/870796713.db2.gz WXJBPGBQQPZVKO-UHFFFAOYSA-N -1 0 394.343 3.668 20 5 GHBDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000181328985 870826779 /nfs/dbraw/zinc/82/67/79/870826779.db2.gz JVULRYJBJOEXJU-UHFFFAOYSA-N -1 0 385.401 3.507 20 5 GHBDRM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000525689865 871247305 /nfs/dbraw/zinc/24/73/05/871247305.db2.gz DACQKBKTGVHFKY-QMMMGPOBSA-N -1 0 395.289 3.873 20 5 GHBDRM O=c1cc(CNc2ncc(C(F)(F)F)cc2-c2cccc([N+](=O)[O-])c2)o[n-]1 ZINC001169484502 871536022 /nfs/dbraw/zinc/53/60/22/871536022.db2.gz QPXYDGVSNGPXPG-UHFFFAOYSA-N -1 0 380.282 3.981 20 5 GHBDRM COc1cc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])ccc1OCC(F)(F)F ZINC000508597840 871660088 /nfs/dbraw/zinc/66/00/88/871660088.db2.gz JBTMEJZAHBJKEZ-DUXPYHPUSA-N -1 0 398.293 3.808 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccnn2[C@H]2CCCc3ccccc32)cc1 ZINC000525971538 871827462 /nfs/dbraw/zinc/82/74/62/871827462.db2.gz KGHNNSADGKUYRB-SFHVURJKSA-N -1 0 398.444 3.518 20 5 GHBDRM CSc1ccc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000540673236 871916077 /nfs/dbraw/zinc/91/60/77/871916077.db2.gz JERKVEZUMPKBQN-ZDUSSCGKSA-N -1 0 388.445 3.680 20 5 GHBDRM O=C([O-])/C=C\c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000767090489 872259708 /nfs/dbraw/zinc/25/97/08/872259708.db2.gz DUCITQMUVRILTC-BAQGIRSFSA-N -1 0 380.278 3.964 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447786515 872297445 /nfs/dbraw/zinc/29/74/45/872297445.db2.gz GQSFEYCMKVCMEX-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM CCCc1c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])[nH]c(C)c1C(C)=O ZINC000540848370 872307028 /nfs/dbraw/zinc/30/70/28/872307028.db2.gz SOQMAPZVHQVFCG-UHFFFAOYSA-N -1 0 379.800 3.998 20 5 GHBDRM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000540849793 872308328 /nfs/dbraw/zinc/30/83/28/872308328.db2.gz NXKUHPLRWWLFMN-ZANVPECISA-N -1 0 389.795 3.801 20 5 GHBDRM CCSc1n[n-]c(=NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)s1 ZINC000447950967 872552237 /nfs/dbraw/zinc/55/22/37/872552237.db2.gz AIJGBFZRRTVGPW-UHFFFAOYSA-N -1 0 392.462 3.861 20 5 GHBDRM CCCCOc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000619467028 872662256 /nfs/dbraw/zinc/66/22/56/872662256.db2.gz JTKFIXGXIKANBO-UHFFFAOYSA-N -1 0 380.422 3.583 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ncc(C2CCCCC2)s1 ZINC000619507526 872694076 /nfs/dbraw/zinc/69/40/76/872694076.db2.gz HFPOFWYPFCNBAX-UHFFFAOYSA-N -1 0 397.478 3.908 20 5 GHBDRM Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)s1 ZINC000541072895 872851736 /nfs/dbraw/zinc/85/17/36/872851736.db2.gz MKDAMDBVJCPWCI-UHFFFAOYSA-N -1 0 377.241 3.528 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cnccc2Oc2ccccc2)cs1 ZINC000768857861 873597704 /nfs/dbraw/zinc/59/77/04/873597704.db2.gz LFLNAYNDDNENLF-UHFFFAOYSA-N -1 0 377.403 3.644 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000768866798 873631139 /nfs/dbraw/zinc/63/11/39/873631139.db2.gz BZQLFZKLZABBNF-UHFFFAOYSA-N -1 0 385.785 3.574 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccnc2Oc2ccccc2)cs1 ZINC000768869925 873633755 /nfs/dbraw/zinc/63/37/55/873633755.db2.gz ZGRYBNCUISEIGW-UHFFFAOYSA-N -1 0 377.403 3.644 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(Cc3ccccc3)ccc2O)cs1 ZINC000768888145 873648593 /nfs/dbraw/zinc/64/85/93/873648593.db2.gz KWPPJTFIRLOKKI-UHFFFAOYSA-N -1 0 390.442 3.754 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000804412869 882807106 /nfs/dbraw/zinc/80/71/06/882807106.db2.gz 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CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](C)[C@@H](O)c1ccccc1 ZINC000854565729 879906456 /nfs/dbraw/zinc/90/64/56/879906456.db2.gz RWKQSWCDLAMTIP-BDJLRTHQSA-N -1 0 378.812 3.538 20 5 GHBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000262732667 880234041 /nfs/dbraw/zinc/23/40/41/880234041.db2.gz HMBQNISOQBCIID-VIFPVBQESA-N -1 0 395.462 3.661 20 5 GHBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(OCc2cccnc2)cc1 ZINC000531766572 880441736 /nfs/dbraw/zinc/44/17/36/880441736.db2.gz CWLTVVBHQHAYLN-AWEZNQCLSA-N -1 0 393.399 3.765 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000556952818 881168285 /nfs/dbraw/zinc/16/82/85/881168285.db2.gz BPJFIKCPVFYKLK-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM O=C(CSCC(=O)c1ccccc1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000476139516 884078989 /nfs/dbraw/zinc/07/89/89/884078989.db2.gz GZNLLJVUQAIWNF-UHFFFAOYSA-N -1 0 380.809 3.508 20 5 GHBDRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1O 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OLDUHFJDWQXGNH-UHFFFAOYSA-N -1 0 382.482 3.767 20 5 GHBDRM CC(C)C[C@H]1CCCN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000825664330 891506820 /nfs/dbraw/zinc/50/68/20/891506820.db2.gz DDKQYFIAKYRPHF-CYBMUJFWSA-N -1 0 392.843 3.790 20 5 GHBDRM COc1ccc2cc(C[N-]S(=O)(=O)c3cc(C)sc3[N+](=O)[O-])ccc2c1 ZINC001185010383 913575768 /nfs/dbraw/zinc/57/57/68/913575768.db2.gz HSJKVFFPQLZNMU-UHFFFAOYSA-N -1 0 392.458 3.605 20 5 GHBDRM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cccc(Cl)c2SCC(F)F)n1 ZINC000497735232 892290182 /nfs/dbraw/zinc/29/01/82/892290182.db2.gz WIQMJUWCBCIPHY-UHFFFAOYSA-N -1 0 376.772 3.591 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1Br ZINC000918148286 893270177 /nfs/dbraw/zinc/27/01/77/893270177.db2.gz YKWLGUWVJRUZTE-UHFFFAOYSA-N -1 0 397.250 3.647 20 5 GHBDRM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000814995632 893327704 /nfs/dbraw/zinc/32/77/04/893327704.db2.gz DIGZBAFXVBPWGO-ZETCQYMHSA-N -1 0 394.758 3.705 20 5 GHBDRM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000815009954 893332603 /nfs/dbraw/zinc/33/26/03/893332603.db2.gz NMUPVZYFFDNSCT-SNVBAGLBSA-N -1 0 393.849 3.582 20 5 GHBDRM O=C(NCc1cccnc1Oc1cccc(F)c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000537180753 894505765 /nfs/dbraw/zinc/50/57/65/894505765.db2.gz SETWKXHZAYOBRD-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3cccc(Cl)c3Cl)ccc2c1 ZINC000537352657 894821204 /nfs/dbraw/zinc/82/12/04/894821204.db2.gz QWWJVLPQJPSEKW-UHFFFAOYSA-N -1 0 398.227 3.673 20 5 GHBDRM CCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(SC)cc2)cc1[N+](=O)[O-] ZINC000537401558 894919545 /nfs/dbraw/zinc/91/95/45/894919545.db2.gz VYABJLOOFLEKRL-MRXNPFEDSA-N -1 0 388.445 3.825 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)c1F ZINC000760344304 895234082 /nfs/dbraw/zinc/23/40/82/895234082.db2.gz KWCNKVKVKMUCOU-UHFFFAOYSA-N -1 0 397.403 3.582 20 5 GHBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](CCO)c2cccc(C(F)(F)F)c2)n1 ZINC000567051904 896832992 /nfs/dbraw/zinc/83/29/92/896832992.db2.gz DKPVYLWUYOMACT-ZDUSSCGKSA-N -1 0 399.325 3.551 20 5 GHBDRM O=C(N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000567963327 897509569 /nfs/dbraw/zinc/50/95/69/897509569.db2.gz UUPVNLJJGOUBNP-JSGCOSHPSA-N -1 0 380.404 3.633 20 5 GHBDRM Cc1cc(Sc2ncccn2)ccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001136497243 898064211 /nfs/dbraw/zinc/06/42/11/898064211.db2.gz CKZPLKXOMSUWSL-UHFFFAOYSA-N -1 0 382.401 3.802 20 5 GHBDRM CCC[N@H+](C)[C@@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000569338504 898557370 /nfs/dbraw/zinc/55/73/70/898557370.db2.gz BWTLKZWJCNALBS-INIZCTEOSA-N -1 0 391.855 3.767 20 5 GHBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC[C@H]1C(=O)[O-] ZINC000823341222 898974314 /nfs/dbraw/zinc/97/43/14/898974314.db2.gz UPZRAPSXHYHGMR-IUODEOHRSA-N -1 0 392.477 3.812 20 5 GHBDRM Cc1sc(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])nc1-c1ccccc1 ZINC001136877386 899606055 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0 376.340 3.734 20 5 GHBDRM COC(=O)c1ccc(C(F)(F)F)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176680082 908207685 /nfs/dbraw/zinc/20/76/85/908207685.db2.gz OFMKKVCIRXFIFI-UHFFFAOYSA-N -1 0 384.266 3.842 20 5 GHBDRM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1C ZINC000194433176 908882460 /nfs/dbraw/zinc/88/24/60/908882460.db2.gz GZZZWXZAHVWIJK-UHFFFAOYSA-N -1 0 395.412 3.582 20 5 GHBDRM CC(C)c1cc(Br)ccc1-c1noc(-c2nc[n-]c2[N+](=O)[O-])n1 ZINC001212893246 911373512 /nfs/dbraw/zinc/37/35/12/911373512.db2.gz TVAMXPAXCFLOSQ-UHFFFAOYSA-N -1 0 378.186 3.921 20 5 GHBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000775244011 916587974 /nfs/dbraw/zinc/58/79/74/916587974.db2.gz JFBQWXKDUCWJRC-UHFFFAOYSA-N -1 0 388.511 3.591 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)ccc1[O-] ZINC001191348166 917920009 /nfs/dbraw/zinc/92/00/09/917920009.db2.gz MXKBVDVBPZSVDT-JSGCOSHPSA-N -1 0 396.852 3.568 20 5 GHBDRM O=C([O-])/C=C\c1ccc(NCc2ccccc2Cn2cccn2)c([N+](=O)[O-])c1 ZINC000796560504 918233840 /nfs/dbraw/zinc/23/38/40/918233840.db2.gz ZXDCKIRGGWIAHX-CLFYSBASSA-N -1 0 378.388 3.550 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000367707096 922276293 /nfs/dbraw/zinc/27/62/93/922276293.db2.gz LHIAVKVPLCLSSB-NSHDSACASA-N -1 0 385.351 3.601 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc3ccc(Cl)cc3n2)cc1[N+](=O)[O-] ZINC000410329848 925546890 /nfs/dbraw/zinc/54/68/90/925546890.db2.gz JUVMTKIOESBEAW-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H](C)C2CCCCC2)cc([N+](=O)[O-])c1C ZINC000726316637 926621670 /nfs/dbraw/zinc/62/16/70/926621670.db2.gz RKLQEVOBNGDQMH-ZDUSSCGKSA-N -1 0 382.482 3.623 20 5 GHBDRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751272776 928106235 /nfs/dbraw/zinc/10/62/35/928106235.db2.gz WYTOQTJGIQYMBH-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(C)c(OCC(F)F)c2)cc1[N+](=O)[O-] ZINC000466972588 928556366 /nfs/dbraw/zinc/55/63/66/928556366.db2.gz HIFPVAVIZOAOSL-UHFFFAOYSA-N -1 0 392.405 3.718 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)s2)ccc1[N+](=O)[O-] ZINC000752197632 928676896 /nfs/dbraw/zinc/67/68/96/928676896.db2.gz KDOSDDUDJFKFPC-UHFFFAOYSA-N -1 0 382.467 3.603 20 5 GHBDRM CC(C)CCOc1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000467084535 928680000 /nfs/dbraw/zinc/68/00/00/928680000.db2.gz YTTGUIHCUUZMAD-UHFFFAOYSA-N -1 0 382.413 3.960 20 5 GHBDRM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccc([N+](=O)[O-])cc1Cl)CC3 ZINC000544043941 928727688 /nfs/dbraw/zinc/72/76/88/928727688.db2.gz ADMZEABWMNSZTP-YRNVUSSQSA-N -1 0 397.774 3.601 20 5 GHBDRM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(Cl)c([N+](=O)[O-])c3)c2n1 ZINC000753978196 929619983 /nfs/dbraw/zinc/61/99/83/929619983.db2.gz KHDHOZQHUWAPHS-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000758475067 930056892 /nfs/dbraw/zinc/05/68/92/930056892.db2.gz BFVSXYNRRBTDER-UHFFFAOYSA-N -1 0 376.712 3.596 20 5 GHBDRM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000470380596 930573418 /nfs/dbraw/zinc/57/34/18/930573418.db2.gz AAZAJPDMSHTPPV-JTQLQIEISA-N -1 0 380.784 3.620 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)n2)c1C ZINC000783607507 931594982 /nfs/dbraw/zinc/59/49/82/931594982.db2.gz OMYJHKUDDKESSM-UHFFFAOYSA-N -1 0 376.221 3.714 20 5 GHBDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783839928 931685946 /nfs/dbraw/zinc/68/59/46/931685946.db2.gz XBWGMZQAIJSFHZ-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)cc1C ZINC000783847786 931690081 /nfs/dbraw/zinc/69/00/81/931690081.db2.gz ZJMOZUMDBYASHS-JTQLQIEISA-N -1 0 386.861 3.833 20 5 GHBDRM CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1F ZINC000783856240 931693900 /nfs/dbraw/zinc/69/39/00/931693900.db2.gz UPOSWWJEKUZZAY-UHFFFAOYSA-N -1 0 390.339 3.600 20 5 GHBDRM Cc1occc1-c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)no1 ZINC000783867072 931697978 /nfs/dbraw/zinc/69/79/78/931697978.db2.gz ZBQSLXWOWCCLEX-UHFFFAOYSA-N -1 0 397.796 3.914 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000799126646 932884316 /nfs/dbraw/zinc/88/43/16/932884316.db2.gz HPZRHHUQFRPJRK-UHFFFAOYSA-N -1 0 383.159 3.981 20 5 GHBDRM CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000560995410 933762328 /nfs/dbraw/zinc/76/23/28/933762328.db2.gz VZGMZJZLCCNWFY-UHFFFAOYSA-N -1 0 384.310 3.514 20 5 GHBDRM Cn1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C2CCCCC2)n1 ZINC000830047789 935894233 /nfs/dbraw/zinc/89/42/33/935894233.db2.gz AYLAAKQQZGYBRC-UHFFFAOYSA-N -1 0 398.872 3.830 20 5 GHBDRM CC(C)c1ncsc1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000830172911 935908978 /nfs/dbraw/zinc/90/89/78/935908978.db2.gz MLRAUVLLDKDAMM-UHFFFAOYSA-N -1 0 379.822 3.768 20 5 GHBDRM O=C([O-])[C@@H]1C[C@H](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])c2ccccc21 ZINC001601286486 970971741 /nfs/dbraw/zinc/97/17/41/970971741.db2.gz XILFITWXQFYMKV-ZBFHGGJFSA-N -1 0 388.807 3.610 20 5 GHBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001594205139 959266545 /nfs/dbraw/zinc/26/65/45/959266545.db2.gz NGCTUZRSYQYBFC-SECBINFHSA-N -1 0 380.809 3.602 20 5 GHBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001594251956 959615380 /nfs/dbraw/zinc/61/53/80/959615380.db2.gz AXZFRYDTNTUQTL-UHFFFAOYSA-N -1 0 399.241 3.573 20 5 GHBDRM Cc1ccc(-c2csc(NC(=O)C3(CC(=O)[O-])CCC3)n2)cc1[N+](=O)[O-] ZINC001574347950 960973118 /nfs/dbraw/zinc/97/31/18/960973118.db2.gz OLELLTSULZYNRI-UHFFFAOYSA-N -1 0 375.406 3.610 20 5 GHBDRM O=C([O-])[C@H]1CN(Cc2cc(Br)c([N+](=O)[O-])s2)Cc2ccccc21 ZINC001606046492 973153104 /nfs/dbraw/zinc/15/31/04/973153104.db2.gz TVOGDQALJVZDKB-LBPRGKRZSA-N -1 0 397.250 3.603 20 5 GHBDRM O=C([O-])/C=C\c1cc(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])co1 ZINC001606063836 973194255 /nfs/dbraw/zinc/19/42/55/973194255.db2.gz DWNOZDZZLYPNTQ-FQQSSWHASA-N -1 0 394.339 3.627 20 5 GHBDRM CC(C)Oc1c(NC(=O)CCNc2ccccc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC001591741735 975757998 /nfs/dbraw/zinc/75/79/98/975757998.db2.gz PEGNGUMSKBHCNP-UHFFFAOYSA-N -1 0 387.392 3.521 20 5 GHBDRM CC(C)Oc1cc(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])ccc1Br ZINC001591756943 975830067 /nfs/dbraw/zinc/83/00/67/975830067.db2.gz PRHHUTVHQQKFDG-UHFFFAOYSA-N -1 0 396.197 3.981 20 5 GHBDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001591763407 975869424 /nfs/dbraw/zinc/86/94/24/975869424.db2.gz SQUBWUQLMDHNOA-UHFFFAOYSA-N -1 0 390.367 3.791 20 5 GHBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001591829612 976093495 /nfs/dbraw/zinc/09/34/95/976093495.db2.gz SUACORXAFNXQKY-UHFFFAOYSA-N -1 0 375.406 3.628 20 5 GHBDRM O=c1[n-]cnc(O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)c1Br ZINC001226721636 1032092268 /nfs/dbraw/zinc/09/22/68/1032092268.db2.gz KYSUHNGQRIJEGK-VIFPVBQESA-N -1 0 394.103 3.535 20 5 GHBDRM CC[C@@](CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])(C(=O)OC)c1ccccc1 ZINC001595173102 979749207 /nfs/dbraw/zinc/74/92/07/979749207.db2.gz ZRJSRJGLTUVYSQ-FQEVSTJZSA-N -1 0 386.404 3.534 20 5 GHBDRM CCCN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-] ZINC001595826955 982711686 /nfs/dbraw/zinc/71/16/86/982711686.db2.gz KOARSVJYKRHNLD-AWEZNQCLSA-N -1 0 385.420 3.532 20 5 GHBDRM CCN(Cc1nc2c(s1)C[C@H](C)CC2)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001596377525 983887327 /nfs/dbraw/zinc/88/73/27/983887327.db2.gz CVZJNJJGQGMEHV-GFCCVEGCSA-N -1 0 389.477 3.896 20 5 GHBDRM CCO[C@@H]1CCCN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001596855040 985603865 /nfs/dbraw/zinc/60/38/65/985603865.db2.gz NAEDIRJPRSXEBS-OAHLLOKOSA-N -1 0 398.415 3.529 20 5 GHBDRM C[C@H]1CN(c2ccc(Nc3cc(C(=O)[O-])ccc3[N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC001594576331 986418045 /nfs/dbraw/zinc/41/80/45/986418045.db2.gz XFSBOSVCIFMPFI-RYUDHWBXSA-N -1 0 389.383 3.789 20 5 GHBDRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC001589385547 986476523 /nfs/dbraw/zinc/47/65/23/986476523.db2.gz IWUDBGRZIYVIRR-QFYYESIMSA-N -1 0 394.786 3.823 20 5 GHBDRM CCOc1ccc(C(=O)N(CC(=O)[O-])[C@@H](CC)c2ccccc2)cc1[N+](=O)[O-] ZINC001597055586 986532054 /nfs/dbraw/zinc/53/20/54/986532054.db2.gz IFOSDPRSNQIUNY-INIZCTEOSA-N -1 0 386.404 3.672 20 5 GHBDRM C[C@@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1F ZINC001589440048 986781204 /nfs/dbraw/zinc/78/12/04/986781204.db2.gz QIHNNYGEMUGLJZ-LLVKDONJSA-N -1 0 392.408 3.794 20 5 GHBDRM CCOc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C(=O)[O-])c1F ZINC001597123637 986826129 /nfs/dbraw/zinc/82/61/29/986826129.db2.gz VQXLILCCMJDBPJ-UHFFFAOYSA-N -1 0 382.731 3.737 20 5 GHBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC001597273443 987329043 /nfs/dbraw/zinc/32/90/43/987329043.db2.gz VNMNDSCOBZEQFI-CQSZACIVSA-N -1 0 388.445 3.523 20 5 GHBDRM CCc1cc(N(C)Cc2ccc(C(=O)[O-])cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001597477214 987946969 /nfs/dbraw/zinc/94/69/69/987946969.db2.gz WMCOPEIHZHUSAD-UHFFFAOYSA-N -1 0 392.415 3.949 20 5 GHBDRM CSc1ccc(C(=O)OC[C@](C)(C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC001599810313 988322565 /nfs/dbraw/zinc/32/25/65/988322565.db2.gz PWRIQKAZRCJTCS-SFHVURJKSA-N -1 0 375.402 3.516 20 5 GHBDRM CSc1ccc(/C=C/C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)s1 ZINC001599812878 988368399 /nfs/dbraw/zinc/36/83/99/988368399.db2.gz QKXIYKIIAZNOEW-DBWMJRBXSA-N -1 0 392.458 3.508 20 5 GHBDRM CSc1ccc(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1Br ZINC001599820031 988496269 /nfs/dbraw/zinc/49/62/69/988496269.db2.gz OKFBAMDUVZTUKM-UHFFFAOYSA-N -1 0 384.211 3.916 20 5 GHBDRM CC(C)(C)OC(=O)NCCSc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001590202046 989572737 /nfs/dbraw/zinc/57/27/37/989572737.db2.gz SQNGMRBNIMIBJZ-UHFFFAOYSA-N -1 0 376.818 3.563 20 5 GHBDRM COc1ccccc1[C@@H](Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccn1 ZINC001599699730 991199810 /nfs/dbraw/zinc/19/98/10/991199810.db2.gz GEELEFOLEDEXDF-LJQANCHMSA-N -1 0 379.372 3.898 20 5 GHBDRM COc1ccccc1C[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)F)C(=O)[O-] ZINC001599707824 991320058 /nfs/dbraw/zinc/32/00/58/991320058.db2.gz RHUOVCDSZMLRJO-GFCCVEGCSA-N -1 0 380.347 3.896 20 5 GHBDRM CN(Cc1c(Cl)cccc1Cl)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001598505124 992493021 /nfs/dbraw/zinc/49/30/21/992493021.db2.gz AOJORWHVXFFBSZ-UHFFFAOYSA-N -1 0 383.187 3.872 20 5 GHBDRM CN(Cc1ccc(C(F)(F)F)cc1)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001598517390 992633972 /nfs/dbraw/zinc/63/39/72/992633972.db2.gz HFIDTJLFFKQYBU-UHFFFAOYSA-N -1 0 399.281 3.856 20 5 GHBDRM CN(Cc1nc(-c2ccccc2)c[nH]1)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001598537130 992853316 /nfs/dbraw/zinc/85/33/16/992853316.db2.gz ULVJBUXYLSXCTB-UHFFFAOYSA-N -1 0 386.795 3.973 20 5 GHBDRM C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593159594 993985944 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CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1C(=O)[O-] ZINC000737347669 599837014 /nfs/dbraw/zinc/83/70/14/599837014.db2.gz CBSFISWFJWRYSF-UHFFFAOYSA-N -1 0 383.385 3.693 20 5 GHBDRM Cc1nccn1-c1ccccc1CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000738895931 599841690 /nfs/dbraw/zinc/84/16/90/599841690.db2.gz ZPJTURGAZFNAQE-VQHVLOKHSA-N -1 0 378.388 3.799 20 5 GHBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000540704110 599849091 /nfs/dbraw/zinc/84/90/91/599849091.db2.gz QUZWKRQOOSBFGT-HNNXBMFYSA-N -1 0 394.836 3.916 20 5 GHBDRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000610852615 599869845 /nfs/dbraw/zinc/86/98/45/599869845.db2.gz URSFBOOYBBOIFD-UHFFFAOYSA-N -1 0 395.396 3.919 20 5 GHBDRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1c2ccccc2sc1C(=O)[O-] ZINC000739216248 599872781 /nfs/dbraw/zinc/87/27/81/599872781.db2.gz QETGYDSPDJMJGS-JXMROGBWSA-N -1 0 382.397 3.837 20 5 GHBDRM O=C([O-])CSCc1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 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O=C([O-])[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)Cc1ccc2ccccc2c1 ZINC000739409196 600605420 /nfs/dbraw/zinc/60/54/20/600605420.db2.gz SGAVAHOCKTZRHV-QGZVFWFLSA-N -1 0 396.374 3.560 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000537401815 600618160 /nfs/dbraw/zinc/61/81/60/600618160.db2.gz AFIIKFAKEAKZCW-GOSISDBHSA-N -1 0 380.466 3.716 20 5 GHBDRM Cc1c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000738263085 600621381 /nfs/dbraw/zinc/62/13/81/600621381.db2.gz RHDUFACZBXYYKA-UHFFFAOYSA-N -1 0 393.739 3.724 20 5 GHBDRM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(C(=O)[O-])o1 ZINC000736692024 600621528 /nfs/dbraw/zinc/62/15/28/600621528.db2.gz SFAVUYGLSRGKFI-SSDOTTSWSA-N -1 0 384.138 3.567 20 5 GHBDRM O=C([O-])/C=C/c1ccc(N[C@@H](Cn2cccn2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000739624392 600791845 /nfs/dbraw/zinc/79/18/45/600791845.db2.gz ITQJYOQGULTJHJ-LNENJAERSA-N -1 0 378.388 3.743 20 5 GHBDRM C[C@@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ncc(-c2ccccc2)o1 ZINC000736691248 600803080 /nfs/dbraw/zinc/80/30/80/600803080.db2.gz PFIRQQJQFHHDRE-LLVKDONJSA-N -1 0 382.328 3.866 20 5 GHBDRM COc1cc(OC)c(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])c(OC)c1 ZINC000737898420 600943663 /nfs/dbraw/zinc/94/36/63/600943663.db2.gz AOEWTXRXKUBFQZ-UHFFFAOYSA-N -1 0 396.783 3.584 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)[O-])c(F)cc2Br)c1 ZINC000738664738 601028638 /nfs/dbraw/zinc/02/86/38/601028638.db2.gz NIHBZURMTBYYDH-UHFFFAOYSA-N -1 0 397.156 3.755 20 5 GHBDRM Cc1cc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1C(=O)[O-] ZINC000832894754 601040499 /nfs/dbraw/zinc/04/04/99/601040499.db2.gz NSOSKDFVQFNLNT-UHFFFAOYSA-N -1 0 399.403 3.677 20 5 GHBDRM O=C([O-])C[C@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000833197926 601625329 /nfs/dbraw/zinc/62/53/29/601625329.db2.gz BITONJPXNLPAAM-KRWDZBQOSA-N -1 0 385.376 3.762 20 5 GHBDRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000833132246 601901540 /nfs/dbraw/zinc/90/15/40/601901540.db2.gz YXRSWMDGECFCDH-FZMZJTMJSA-N -1 0 399.241 3.511 20 5 GHBDRM O=C([O-])Nc1ccc(F)c(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000740707651 602027664 /nfs/dbraw/zinc/02/76/64/602027664.db2.gz RWSDLQMHAHDCIM-UHFFFAOYSA-N -1 0 376.344 3.655 20 5 GHBDRM Cc1c(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)cccc1[N+](=O)[O-] ZINC000486059558 602259391 /nfs/dbraw/zinc/25/93/91/602259391.db2.gz NTLGVITWNIUNNH-UHFFFAOYSA-N -1 0 380.356 3.772 20 5 GHBDRM O=C([O-])N1CCCc2cc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)ccc21 ZINC000740389141 602509696 /nfs/dbraw/zinc/50/96/96/602509696.db2.gz RCRZTUXJARIROE-UHFFFAOYSA-N -1 0 394.387 3.619 20 5 GHBDRM O=C([O-])Nc1ccc(CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000740702178 603434111 /nfs/dbraw/zinc/43/41/11/603434111.db2.gz UBFWXLGUFWEEAG-KRWDZBQOSA-N -1 0 387.417 3.501 20 5 GHBDRM COc1ccccc1[C@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 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ZINC000110121739 877861487 /nfs/dbraw/zinc/86/14/87/877861487.db2.gz PIXLZAXJBUHVRP-UHFFFAOYSA-N -1 0 395.746 3.771 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc2c(cccc2Br)[nH]1 ZINC000537769188 878270580 /nfs/dbraw/zinc/27/05/80/878270580.db2.gz UMXYOLVLOKLUKV-UHFFFAOYSA-N -1 0 376.166 3.797 20 5 GHBDRM Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000616243646 878691889 /nfs/dbraw/zinc/69/18/89/878691889.db2.gz ZHGNLOBSSNOHMP-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM O=C([N-]C[C@H]1CCCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000853637066 879196590 /nfs/dbraw/zinc/19/65/90/879196590.db2.gz NEZOCPJXAZOOJM-SECBINFHSA-N -1 0 399.291 3.509 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC000520018745 879198582 /nfs/dbraw/zinc/19/85/82/879198582.db2.gz RTDZXOIBPLDVSM-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790381851 879651439 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VKBVBXOBWPNQIR-UHFFFAOYSA-N -1 0 381.211 3.503 20 5 GHBDRM Cc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000237841233 892015756 /nfs/dbraw/zinc/01/57/56/892015756.db2.gz WDEKCAUVFQFPKZ-UHFFFAOYSA-N -1 0 396.321 3.649 20 5 GHBDRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000814020203 892166711 /nfs/dbraw/zinc/16/67/11/892166711.db2.gz LENQRMUTWMWBPQ-HWOXTHGCSA-N -1 0 388.445 3.595 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1F ZINC000918146400 893228791 /nfs/dbraw/zinc/22/87/91/893228791.db2.gz ZYJJFYPAGYOYEE-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000194678099 893894381 /nfs/dbraw/zinc/89/43/81/893894381.db2.gz FRLIJAQTSQDDES-UHFFFAOYSA-N -1 0 376.221 3.547 20 5 GHBDRM COc1ccc2[nH]cc(C3CCN(c4ncc(C(=O)[O-])cc4[N+](=O)[O-])CC3)c2c1 ZINC000563887787 894299343 /nfs/dbraw/zinc/29/93/43/894299343.db2.gz AQPFOZRVYBOKOH-UHFFFAOYSA-N -1 0 396.403 3.562 20 5 GHBDRM O=C([N-][C@@H](c1nccs1)C(F)(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000818312058 896110515 /nfs/dbraw/zinc/11/05/15/896110515.db2.gz HREWPHGQZBSAMB-VIFPVBQESA-N -1 0 381.282 3.563 20 5 GHBDRM CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(Br)cc1 ZINC001136261229 896965323 /nfs/dbraw/zinc/96/53/23/896965323.db2.gz SIAOXXKBJNZXBM-UHFFFAOYSA-N -1 0 393.237 3.771 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000155966292 899252092 /nfs/dbraw/zinc/25/20/92/899252092.db2.gz VMIGVFDOISADSS-RYUDHWBXSA-N -1 0 382.294 3.941 20 5 GHBDRM C[C@]12CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])C[C@H]1C2(Cl)Cl ZINC000843879633 900278967 /nfs/dbraw/zinc/27/89/67/900278967.db2.gz FBYWFEJINKEMKZ-MFKMUULPSA-N -1 0 379.627 3.610 20 5 GHBDRM O=C([O-])Cc1ccc(N2CCC[C@@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])c1 ZINC000844206851 900599080 /nfs/dbraw/zinc/59/90/80/900599080.db2.gz WLRYXPFKTCFVTA-CQSZACIVSA-N -1 0 381.388 3.747 20 5 GHBDRM CC(C)(C)OCc1cc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])no1 ZINC000844211461 900605470 /nfs/dbraw/zinc/60/54/70/900605470.db2.gz AHBZAJZUDGEVJQ-ALCCZGGFSA-N -1 0 375.381 3.608 20 5 GHBDRM Cc1ccc(C)c([C@@H]2CN(c3nc(C)cc(C(=O)[O-])c3[N+](=O)[O-])[C@@H](C)CO2)c1 ZINC000576520348 902074319 /nfs/dbraw/zinc/07/43/19/902074319.db2.gz LVECSOXNNGJZJW-YOEHRIQHSA-N -1 0 385.420 3.580 20 5 GHBDRM CC(C)N(Cc1cccc(Br)c1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000600839121 902986991 /nfs/dbraw/zinc/98/69/91/902986991.db2.gz HRKQIQKWFAFMDA-UHFFFAOYSA-N -1 0 394.225 3.509 20 5 GHBDRM Cc1cc(N2CCC[C@H](c3ncc4n3CCCC4)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000577876001 903299693 /nfs/dbraw/zinc/29/96/93/903299693.db2.gz JATNZIDWXZLMLW-AWEZNQCLSA-N -1 0 384.436 3.518 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])nn1C1CCCCC1 ZINC000577925585 903349958 /nfs/dbraw/zinc/34/99/58/903349958.db2.gz WIFBDELDLNLXRQ-UHFFFAOYSA-N -1 0 378.454 3.714 20 5 GHBDRM CC[C@H](C)CN(CC)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000826638673 904581054 /nfs/dbraw/zinc/58/10/54/904581054.db2.gz ORGLYUSUQLUDPF-NSHDSACASA-N -1 0 380.832 3.648 20 5 GHBDRM CCOC(=O)c1ccc2ccc(Nc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)cc2n1 ZINC001174504844 907079726 /nfs/dbraw/zinc/07/97/26/907079726.db2.gz HRWCLZOIKKGNTL-UHFFFAOYSA-N -1 0 381.344 3.762 20 5 GHBDRM O=C([O-])c1ccc(Nc2ccccc2C(=O)Nc2cccnc2)cc1[N+](=O)[O-] ZINC001174504403 907080093 /nfs/dbraw/zinc/08/00/93/907080093.db2.gz CUHSMXRZOIRALA-UHFFFAOYSA-N -1 0 378.344 3.684 20 5 GHBDRM O=C([O-])c1ccc(Nc2ccc(C(=O)NCc3ccco3)cc2)cc1[N+](=O)[O-] ZINC001174505451 907081133 /nfs/dbraw/zinc/08/11/33/907081133.db2.gz YISHOCGPBDJCBX-UHFFFAOYSA-N -1 0 381.344 3.560 20 5 GHBDRM COC(=O)c1cccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1Br ZINC001176680822 908208205 /nfs/dbraw/zinc/20/82/05/908208205.db2.gz ZOVXOIOAMBHSOI-UHFFFAOYSA-N -1 0 395.165 3.586 20 5 GHBDRM CCOC(=O)c1cnc2c(cccc2Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176681103 908209006 /nfs/dbraw/zinc/20/90/06/908209006.db2.gz WFAMAMCTFMTEMP-UHFFFAOYSA-N -1 0 381.344 3.762 20 5 GHBDRM O=C([O-])CCCCCCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000191180008 908591071 /nfs/dbraw/zinc/59/10/71/908591071.db2.gz PAIWIVIKGKOADZ-UHFFFAOYSA-N -1 0 394.471 3.696 20 5 GHBDRM CC(C)Oc1cc(Br)ccc1-c1noc(-c2nc[n-]c2[N+](=O)[O-])n1 ZINC001212892876 911379247 /nfs/dbraw/zinc/37/92/47/911379247.db2.gz AFYPLCQDPOQEDP-UHFFFAOYSA-N -1 0 394.185 3.585 20 5 GHBDRM O=C([O-])c1cnc(C2CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)s1 ZINC000901935296 921753535 /nfs/dbraw/zinc/75/35/35/921753535.db2.gz YSOZJKIUCORRKD-UHFFFAOYSA-N -1 0 381.841 3.783 20 5 GHBDRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(F)(F)F ZINC001189733973 916891794 /nfs/dbraw/zinc/89/17/94/916891794.db2.gz RUCVOICZBUKHNR-UPONEAKYSA-N -1 0 392.758 3.643 20 5 GHBDRM Cc1nc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cc2s1 ZINC000007325610 919062117 /nfs/dbraw/zinc/06/21/17/919062117.db2.gz WWBCIORVUZTKHX-UHFFFAOYSA-N 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CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000374811748 927548369 /nfs/dbraw/zinc/54/83/69/927548369.db2.gz YSJKFVNDFVDRFM-GOSISDBHSA-N -1 0 398.806 3.605 20 5 GHBDRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751260143 928098396 /nfs/dbraw/zinc/09/83/96/928098396.db2.gz IQYSVTFIWWNMQN-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000752195165 928675830 /nfs/dbraw/zinc/67/58/30/928675830.db2.gz JDJCNLOSENNVML-UHFFFAOYSA-N -1 0 395.868 3.958 20 5 GHBDRM CCO[C@H](CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000467783673 929409423 /nfs/dbraw/zinc/40/94/23/929409423.db2.gz GDYJBRTWTMEYIN-CYBMUJFWSA-N -1 0 399.296 3.631 20 5 GHBDRM CCOc1cc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc(OCC)c1OCC ZINC000753701765 929488323 /nfs/dbraw/zinc/48/83/23/929488323.db2.gz GOFYONLGIOSVHQ-UHFFFAOYSA-N -1 0 390.392 3.749 20 5 GHBDRM O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469524064 929966023 /nfs/dbraw/zinc/96/60/23/929966023.db2.gz UBDWFDVLUFBPCW-SFHVURJKSA-N -1 0 389.839 3.521 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(Cl)c2c(c1)OCCO2 ZINC000758470230 930055018 /nfs/dbraw/zinc/05/50/18/930055018.db2.gz ZEMLYVJUKWJAAA-UHFFFAOYSA-N -1 0 385.159 3.631 20 5 GHBDRM Cc1nc(C=Cc2ccc(-c3cccc([N+](=O)[O-])c3)s2)[nH]c(=O)c1CC(=O)[O-] ZINC000470237867 930477823 /nfs/dbraw/zinc/47/78/23/930477823.db2.gz OOCVGTGGNWDAMC-VURMDHGXSA-N -1 0 397.412 3.925 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000780361372 930499460 /nfs/dbraw/zinc/49/94/60/930499460.db2.gz HYCGSTNKXJYFRL-AWEZNQCLSA-N -1 0 376.796 3.637 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Br)c2)sc1C ZINC000782263392 931146539 /nfs/dbraw/zinc/14/65/39/931146539.db2.gz KNSDSOJQQPLMFF-UHFFFAOYSA-N -1 0 391.268 3.836 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2cc3n[nH]cc3c(C)c2)c1 ZINC000783841763 931687144 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O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001595012197 951254888 /nfs/dbraw/zinc/25/48/88/951254888.db2.gz UIGMEZQUSNZFAW-OAHLLOKOSA-N -1 0 383.404 3.516 20 5 GHBDRM O=C(/C=C\c1ccc(C(=O)[O-])o1)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC001594674644 956648130 /nfs/dbraw/zinc/64/81/30/956648130.db2.gz RAGYIAPHNBOXOV-IBHIWXBSSA-N -1 0 394.339 3.627 20 5 GHBDRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001574804457 957850582 /nfs/dbraw/zinc/85/05/82/957850582.db2.gz GYOQFBSSGJPCOV-UHFFFAOYSA-N -1 0 392.770 3.607 20 5 GHBDRM Cc1cccc(C(=O)[O-])c1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC001594390376 958706897 /nfs/dbraw/zinc/70/68/97/958706897.db2.gz NONMUXSVXIDOHY-UHFFFAOYSA-N -1 0 385.195 3.678 20 5 GHBDRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)c3cccc([N+](=O)[O-])c3)sc2[C@@H](C)O1 ZINC001603474258 973354569 /nfs/dbraw/zinc/35/45/69/973354569.db2.gz AWZGBKLKGOHVPZ-RKDXNWHRSA-N -1 0 376.390 3.629 20 5 GHBDRM 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CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001595213633 980008111 /nfs/dbraw/zinc/00/81/11/980008111.db2.gz WTOKAQIROPEXIL-IDHHARJASA-N -1 0 384.432 3.742 20 5 GHBDRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595354868 980696836 /nfs/dbraw/zinc/69/68/36/980696836.db2.gz HBZCRKFVNZRRJB-KHIZAZIESA-N -1 0 378.425 3.914 20 5 GHBDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001595360659 980753638 /nfs/dbraw/zinc/75/36/38/980753638.db2.gz LIEPLRGRUVZKNY-INIZCTEOSA-N -1 0 376.796 3.926 20 5 GHBDRM CC[C@H]1CN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC001595492871 981256369 /nfs/dbraw/zinc/25/63/69/981256369.db2.gz YODFJHHZJHGFCA-HNNXBMFYSA-N -1 0 398.415 3.529 20 5 GHBDRM CCCN(CCC)C(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC001626034290 1014816972 /nfs/dbraw/zinc/81/69/72/1014816972.db2.gz FRNJHTGKJKPAAN-UHFFFAOYSA-N -1 0 385.420 3.815 20 5 GHBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001595987533 983239542 /nfs/dbraw/zinc/23/95/42/983239542.db2.gz JFAVSIBUAKIJRS-UHFFFAOYSA-N -1 0 390.417 3.813 20 5 GHBDRM CCNc1ccc(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)cc1[N+](=O)[O-] ZINC001596501456 984255413 /nfs/dbraw/zinc/25/54/13/984255413.db2.gz VMEKMWSQQYYHPG-MRXNPFEDSA-N -1 0 397.431 3.575 20 5 GHBDRM CCO[C@@H]1C[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])[C@@H]1Oc1ccccc1 ZINC001596841672 985525549 /nfs/dbraw/zinc/52/55/49/985525549.db2.gz BGRBEWMTVJEVRI-QRQLOZEOSA-N -1 0 386.404 3.638 20 5 GHBDRM CCOc1c(Cl)cccc1CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001596992530 986276543 /nfs/dbraw/zinc/27/65/43/986276543.db2.gz KADQCOWVBMKVEH-UHFFFAOYSA-N -1 0 392.795 3.835 20 5 GHBDRM C[C@@H]1CN(c2ccc(Nc3cc(C(=O)[O-])ccc3[N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC001594576333 986418272 /nfs/dbraw/zinc/41/82/72/986418272.db2.gz XFSBOSVCIFMPFI-VXGBXAGGSA-N -1 0 389.383 3.789 20 5 GHBDRM CCOc1ccc(CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C(C)C)cc1 ZINC001597095278 986687885 /nfs/dbraw/zinc/68/78/85/986687885.db2.gz WSPWLJQQFZJRRS-UHFFFAOYSA-N -1 0 386.404 3.743 20 5 GHBDRM CC[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)C1CCC(C)CC1 ZINC001594728941 987237708 /nfs/dbraw/zinc/23/77/08/987237708.db2.gz KMEAAUBVQYJMHB-LCMAISIZSA-N -1 0 376.453 3.863 20 5 GHBDRM CC[C@H](NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC001597334130 987467672 /nfs/dbraw/zinc/46/76/72/987467672.db2.gz BMLJQPCIPYTQOI-HOCLYGCPSA-N -1 0 377.441 3.578 20 5 GHBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC001589612047 987471265 /nfs/dbraw/zinc/47/12/65/987471265.db2.gz OWYMEAVBNWOBOR-AWEZNQCLSA-N -1 0 392.455 3.644 20 5 GHBDRM CCc1cc(Sc2nc(C(=O)[O-])cs2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001597489074 988006349 /nfs/dbraw/zinc/00/63/49/988006349.db2.gz XLTTVNZIDLMZAW-UHFFFAOYSA-N -1 0 388.430 3.920 20 5 GHBDRM CCc1ccc(-c2cc(C(=O)Oc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)no2)cc1 ZINC001597492682 988030833 /nfs/dbraw/zinc/03/08/33/988030833.db2.gz SXJKLXGWKJOUFD-UHFFFAOYSA-N -1 0 382.328 3.730 20 5 GHBDRM CSc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC001599815653 988419215 /nfs/dbraw/zinc/41/92/15/988419215.db2.gz QEPUZEIMFCMIEP-UHFFFAOYSA-N -1 0 389.433 3.846 20 5 GHBDRM COc1ccccc1C1(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCCC1 ZINC001599703105 991251111 /nfs/dbraw/zinc/25/11/11/991251111.db2.gz UYAUSXXOWXPPAT-UHFFFAOYSA-N -1 0 398.415 3.543 20 5 GHBDRM COc1ccc(NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cc1SC ZINC001599594509 993731999 /nfs/dbraw/zinc/73/19/99/993731999.db2.gz SYSYSNBQBVKEMS-UHFFFAOYSA-N -1 0 391.405 3.976 20 5 GHBDRM C[C@](NC(=O)c1cnc(Cl)c2ccccc12)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593185130 994094866 /nfs/dbraw/zinc/09/48/66/994094866.db2.gz QZXDANLOCYWJEV-LJQANCHMSA-N -1 0 399.790 3.526 20 5 GHBDRM C[C@H](N[C@H](C(=O)[O-])c1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC001593194366 994134468 /nfs/dbraw/zinc/13/44/68/994134468.db2.gz FZOGEFPBIMSPEG-BONVTDFDSA-N -1 0 379.210 3.834 20 5 GHBDRM CC1(C2CC2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC1 ZINC001593987855 997234333 /nfs/dbraw/zinc/23/43/33/997234333.db2.gz FTLOXCQBLUTRLG-UHFFFAOYSA-N -1 0 392.477 3.814 20 5 GHBDRM COc1ccc([C@H]2CCCN2c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001599539600 997810571 /nfs/dbraw/zinc/81/05/71/997810571.db2.gz MQONCXGXBKZCED-OAHLLOKOSA-N -1 0 387.348 3.551 20 5 GHBDRM COc1ccc(C[C@@H]2CCCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])C2)cc1 ZINC001599551934 998022743 /nfs/dbraw/zinc/02/27/43/998022743.db2.gz IENCTZGEEIRUQN-KRWDZBQOSA-N -1 0 384.432 3.690 20 5 GHBDRM COc1cc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC001599355652 998174895 /nfs/dbraw/zinc/17/48/95/998174895.db2.gz FWYNYNSZAXRSQI-UHFFFAOYSA-N -1 0 388.376 3.686 20 5 GHBDRM COc1ccc(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])c(C)c1OC ZINC001599574093 998413178 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BMUUHKANGGJLOS-UHFFFAOYSA-N -1 0 398.510 3.811 20 5 GHBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(F)c(Br)c1 ZINC001141337570 1024609403 /nfs/dbraw/zinc/60/94/03/1024609403.db2.gz NGEYZFUQOZOIEX-QMMMGPOBSA-N -1 0 383.173 3.693 20 5 GHBDRM CSc1nc(Cl)nc(Nc2c(C)c(=O)[n-]n2-c2ccccc2)c1[N+](=O)[O-] ZINC001163111744 1026048278 /nfs/dbraw/zinc/04/82/78/1026048278.db2.gz XXVPJKNBHWBPCD-UHFFFAOYSA-N -1 0 392.828 3.703 20 5 GHBDRM Cc1cc(N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC001163545247 1026230902 /nfs/dbraw/zinc/23/09/02/1026230902.db2.gz LUEBNYBHIONXBD-GFCCVEGCSA-N -1 0 397.328 3.784 20 5 GHBDRM O=C([N-]Cc1cc(F)cc(Nc2ccc([N+](=O)[O-])cc2F)c1)C(F)(F)F ZINC001163861349 1026342876 /nfs/dbraw/zinc/34/28/76/1026342876.db2.gz NKTOCQLUEZQKDF-UHFFFAOYSA-N -1 0 375.253 3.795 20 5 GHBDRM O=C(N[C@@H]1CCOc2c(Cl)c(Cl)ccc21)c1cccc([N+](=O)[O-])c1[O-] ZINC001140083215 1026860761 /nfs/dbraw/zinc/86/07/61/1026860761.db2.gz OGRSUCZFNHXVPV-LLVKDONJSA-N -1 0 383.187 3.861 20 5 GHBDRM CC[C@H]([N-]S(=O)(=O)c1onc(C2CC2)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC001211383237 1027932752 /nfs/dbraw/zinc/93/27/52/1027932752.db2.gz RLKHTQFADUGRLF-LBPRGKRZSA-N -1 0 385.829 3.543 20 5 GHBDRM O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001142129066 1028209413 /nfs/dbraw/zinc/20/94/13/1028209413.db2.gz UTFNHWTUXZWETR-UHFFFAOYSA-N -1 0 391.355 3.878 20 5 GHBDRM COc1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3[O-])n2)c(OC(F)(F)F)c1 ZINC001215380679 1029181518 /nfs/dbraw/zinc/18/15/18/1029181518.db2.gz YIHJSMTZMWRSGO-UHFFFAOYSA-N -1 0 397.265 3.925 20 5 GHBDRM COc1cc(Cl)c(-c2noc(-c3cc([N+](=O)[O-])ccc3[O-])n2)cc1OC ZINC001215380731 1029181603 /nfs/dbraw/zinc/18/16/03/1029181603.db2.gz ZTEUZIPOGBMHCQ-UHFFFAOYSA-N -1 0 377.740 3.688 20 5 GHBDRM O=C(NCc1ccc(COc2ccc(F)cc2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001143214234 1029917996 /nfs/dbraw/zinc/91/79/96/1029917996.db2.gz BDEYARIKCCKMGP-UHFFFAOYSA-N -1 0 396.374 3.949 20 5 GHBDRM COc1cc(-c2noc(-c3c([O-])cccc3[N+](=O)[O-])n2)ccc1Br 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FKJNJDVQFAQFJF-UHFFFAOYSA-N -1 0 392.436 3.975 20 5 GHBDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc3cccnc3c3ncccc23)c1 ZINC001254435412 1040231558 /nfs/dbraw/zinc/23/15/58/1040231558.db2.gz AQZSHCVCTUSDRU-UHFFFAOYSA-N -1 0 395.440 3.601 20 5 GHBDRM Cc1cc(C)n(Cc2ccc(-c3nnc(-c4c([O-])cccc4[N+](=O)[O-])o3)cc2)n1 ZINC001257997935 1044326180 /nfs/dbraw/zinc/32/61/80/1044326180.db2.gz VWRFLNKFYDYTJN-UHFFFAOYSA-N -1 0 391.387 3.879 20 5 GHBDRM O=C(N[C@@H]1CCc2cc(F)c(F)c(F)c21)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001297972800 1045671448 /nfs/dbraw/zinc/67/14/48/1045671448.db2.gz WJBQLGAUMLIJLS-SNVBAGLBSA-N -1 0 386.713 3.788 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCc2cc(F)ccc2F)c1Cl ZINC001463066586 1070769225 /nfs/dbraw/zinc/76/92/25/1070769225.db2.gz PZBKUQPJGQEBKC-UHFFFAOYSA-N -1 0 397.186 3.658 20 5 GHBDRM CCOC(=O)c1nc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[n-]c1Cl ZINC001289087075 1049318605 /nfs/dbraw/zinc/31/86/05/1049318605.db2.gz JLFSEVZLOHEOKG-UHFFFAOYSA-N -1 0 394.796 3.615 20 5 GHBDRM C[C@H](NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1cccc(Cl)c1Cl ZINC001309210776 1050477277 /nfs/dbraw/zinc/47/72/77/1050477277.db2.gz RXEWEIYFZKTUKA-QMMMGPOBSA-N -1 0 391.232 3.647 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)cc1C ZINC001325838254 1057371378 /nfs/dbraw/zinc/37/13/78/1057371378.db2.gz YKRWLCAIUGCQRF-UHFFFAOYSA-N -1 0 389.408 3.942 20 5 GHBDRM O=C(N[C@@H](COc1ccccc1F)c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001441563751 1058816447 /nfs/dbraw/zinc/81/64/47/1058816447.db2.gz DKZWUYNRAURKAN-IBGZPJMESA-N -1 0 396.374 3.990 20 5 GHBDRM CCOc1ccc(Cl)cc1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001446275528 1059740582 /nfs/dbraw/zinc/74/05/82/1059740582.db2.gz RDEKFHXLQQWTTD-UHFFFAOYSA-N -1 0 399.230 3.978 20 5 GHBDRM C[C@H](NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])C1CCCCC1 ZINC001451994614 1060882547 /nfs/dbraw/zinc/88/25/47/1060882547.db2.gz FTVJHHZYVAQOGX-NSHDSACASA-N -1 0 392.843 3.838 20 5 GHBDRM C[C@H]1c2ccccc2CN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001454118499 1061612627 /nfs/dbraw/zinc/61/26/27/1061612627.db2.gz NPONZZMVMZHDCY-NSHDSACASA-N -1 0 398.806 3.857 20 5 GHBDRM O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC001546067298 1061977229 /nfs/dbraw/zinc/97/72/29/1061977229.db2.gz LCZXKGZMBGVBRT-ZDUSSCGKSA-N -1 0 376.237 3.612 20 5 GHBDRM Cc1nn(-c2ccccc2)c2ncc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cc12 ZINC001456992240 1062941030 /nfs/dbraw/zinc/94/10/30/1062941030.db2.gz KCLNXKBEWUGUSI-UHFFFAOYSA-N -1 0 389.371 3.595 20 5 GHBDRM O=c1cc(CN2CCc3ccc([N+](=O)[O-])cc3C2)c2cc(Cl)c([O-])cc2o1 ZINC001459656558 1064156537 /nfs/dbraw/zinc/15/65/37/1064156537.db2.gz OSFXXQLGRPOTBY-UHFFFAOYSA-N -1 0 386.791 3.619 20 5 GHBDRM CC(C)n1ncc2cc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])cnc21 ZINC001463806423 1064635065 /nfs/dbraw/zinc/63/50/65/1064635065.db2.gz FHUQEDCQHZYWRE-UHFFFAOYSA-N -1 0 375.772 3.532 20 5 GHBDRM 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Cc1cc(Br)cc2c1CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)CC2 ZINC000436980338 852567323 /nfs/dbraw/zinc/56/73/23/852567323.db2.gz PKQKRUUHQLFGDX-UHFFFAOYSA-N -1 0 391.221 3.570 20 5 GHBDRM CCOc1cc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436970417 852572988 /nfs/dbraw/zinc/57/29/88/852572988.db2.gz DPVQVVBHBQZITK-UHFFFAOYSA-N -1 0 381.182 3.714 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Br)c2c1OCCC2 ZINC000426959299 852574495 /nfs/dbraw/zinc/57/44/95/852574495.db2.gz ICJBEYRMHPGXBS-UHFFFAOYSA-N -1 0 393.193 3.640 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC000438768256 852827516 /nfs/dbraw/zinc/82/75/16/852827516.db2.gz YVNYMSVLDJMXSU-UHFFFAOYSA-N -1 0 378.303 3.640 20 5 GHBDRM COc1cccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000438810456 852893302 /nfs/dbraw/zinc/89/33/02/852893302.db2.gz KLNKJAQHWMVFGT-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cccn2)c([N+](=O)[O-])c1 ZINC000509565538 852968816 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3.583 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(OCC(F)F)cc1 ZINC000481949741 862560405 /nfs/dbraw/zinc/56/04/05/862560405.db2.gz CFYXAOLVFARTPF-UHFFFAOYSA-N -1 0 392.767 3.693 20 5 GHBDRM CCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)c2ccccc12 ZINC000165229225 854781585 /nfs/dbraw/zinc/78/15/85/854781585.db2.gz XIMLWCMSZNRWRS-UHFFFAOYSA-N -1 0 387.417 3.651 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)ccc1[N+](=O)[O-] ZINC000165240542 854787469 /nfs/dbraw/zinc/78/74/69/854787469.db2.gz RWKLVCDBPATIQP-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000165241571 854803432 /nfs/dbraw/zinc/80/34/32/854803432.db2.gz ROWUKVYCJCVTFH-UHFFFAOYSA-N -1 0 395.746 3.771 20 5 GHBDRM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)c1 ZINC000589544835 854969001 /nfs/dbraw/zinc/96/90/01/854969001.db2.gz QWOOPOUJLLDJLG-UHFFFAOYSA-N -1 0 396.384 3.599 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1CCN(c2nc3ccccc3s2)CC1 ZINC000166153219 855487878 /nfs/dbraw/zinc/48/78/78/855487878.db2.gz ZIWYXNFNTPWADP-UHFFFAOYSA-N -1 0 398.444 3.765 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c(F)cc1[N+](=O)[O-] ZINC000590598201 855504394 /nfs/dbraw/zinc/50/43/94/855504394.db2.gz NAMPOVULXRHZPA-UHFFFAOYSA-N -1 0 392.412 3.774 20 5 GHBDRM O=C([O-])C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccs1 ZINC000590613777 855508806 /nfs/dbraw/zinc/50/88/06/855508806.db2.gz JVWMKKXZWXQLHU-NSHDSACASA-N -1 0 376.415 3.817 20 5 GHBDRM O=C(N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000573969868 856833329 /nfs/dbraw/zinc/83/33/29/856833329.db2.gz UWAZYNRVWWWWLQ-OCCSQVGLSA-N -1 0 380.404 3.633 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ncc(-c3ccccn3)s2)c1C ZINC000508085712 856882328 /nfs/dbraw/zinc/88/23/28/856882328.db2.gz ALKYVTKNBGADIK-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000485696302 856969115 /nfs/dbraw/zinc/96/91/15/856969115.db2.gz DWZFHGNFOSEORF-UHFFFAOYSA-N -1 0 383.187 3.629 20 5 GHBDRM Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1C ZINC000485930230 857224662 /nfs/dbraw/zinc/22/46/62/857224662.db2.gz FBZMJHMQIKYKTD-UHFFFAOYSA-N -1 0 383.404 3.762 20 5 GHBDRM Cc1ccc(C[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000164663873 857549478 /nfs/dbraw/zinc/54/94/78/857549478.db2.gz QMVIHQFCFKSYLW-SFHVURJKSA-N -1 0 377.400 3.718 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1C ZINC000442214391 857627131 /nfs/dbraw/zinc/62/71/31/857627131.db2.gz AZODLKYWKHKOQR-UHFFFAOYSA-N -1 0 376.768 3.944 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1C ZINC000442251949 857656109 /nfs/dbraw/zinc/65/61/09/857656109.db2.gz RQHKTQOJRRYNQY-UHFFFAOYSA-N -1 0 376.768 3.944 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccn(-c2ccccc2Cl)n1 ZINC000486492886 857789676 /nfs/dbraw/zinc/78/96/76/857789676.db2.gz XIYHQSSWYDZTNM-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM Cc1cccc([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1C ZINC000521278314 857809738 /nfs/dbraw/zinc/80/97/38/857809738.db2.gz HMUZLWOREOAIEO-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM Cc1occc1-c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)no1 ZINC000486556358 857856361 /nfs/dbraw/zinc/85/63/61/857856361.db2.gz GVXFBRPUIJSAFP-UHFFFAOYSA-N -1 0 383.769 3.605 20 5 GHBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cc(-c2cccc(Cl)c2)on1 ZINC000486570680 857873227 /nfs/dbraw/zinc/87/32/27/857873227.db2.gz KRNUBJUVYGZDAJ-UHFFFAOYSA-N -1 0 393.808 3.845 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1ccc(OCc2ccncc2)cc1 ZINC000255595464 858057208 /nfs/dbraw/zinc/05/72/08/858057208.db2.gz GURSNHZRKAHHCG-UTCJRWHESA-N -1 0 377.356 3.832 20 5 GHBDRM O=C([O-])Cc1ccc(NC[C@@H](OC2CCCC2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000594737247 858268561 /nfs/dbraw/zinc/26/85/61/858268561.db2.gz VKXLIWUQPALNAY-CQSZACIVSA-N -1 0 376.331 3.524 20 5 GHBDRM CC(C)Oc1ccccc1[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000521771914 858299751 /nfs/dbraw/zinc/29/97/51/858299751.db2.gz ACRMNQAGAMUENM-LBPRGKRZSA-N -1 0 382.413 3.561 20 5 GHBDRM O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000066932118 858358731 /nfs/dbraw/zinc/35/87/31/858358731.db2.gz LNLCGUBZQMJPBS-UHFFFAOYSA-N -1 0 390.758 3.590 20 5 GHBDRM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000079042599 858368384 /nfs/dbraw/zinc/36/83/84/858368384.db2.gz UKSUBUYYESBOEB-UHFFFAOYSA-N -1 0 396.222 3.639 20 5 GHBDRM Cc1cccc(CN(Cc2ccccn2)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000160255336 858749763 /nfs/dbraw/zinc/74/97/63/858749763.db2.gz YOSVDLHJJHOBPZ-UHFFFAOYSA-N -1 0 377.400 3.846 20 5 GHBDRM CC(C)(C)OCc1cccc(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000522352048 859141063 /nfs/dbraw/zinc/14/10/63/859141063.db2.gz NIVFNWOOHZSLJS-UHFFFAOYSA-N -1 0 396.440 3.528 20 5 GHBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2C)cc1[N+](=O)[O-] ZINC000509389764 859277833 /nfs/dbraw/zinc/27/78/33/859277833.db2.gz UYOOTGHAYUEJOQ-UHFFFAOYSA-N -1 0 389.355 3.735 20 5 GHBDRM COc1cc(CNc2ncc(Cc3ccc(F)cc3)s2)cc([N+](=O)[O-])c1[O-] ZINC000543678130 859391092 /nfs/dbraw/zinc/39/10/92/859391092.db2.gz YTVDTDVAKXOFKF-UHFFFAOYSA-N -1 0 389.408 3.529 20 5 GHBDRM O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611553658 859809595 /nfs/dbraw/zinc/80/95/95/859809595.db2.gz FQFWXMHCPYTLBV-UHFFFAOYSA-N -1 0 391.355 3.878 20 5 GHBDRM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000185361305 859955020 /nfs/dbraw/zinc/95/50/20/859955020.db2.gz UKLXUYIAUWRTPZ-ZDUSSCGKSA-N -1 0 383.404 3.567 20 5 GHBDRM CCCc1c(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cnn1-c1cccc(F)c1 ZINC000552159041 859998045 /nfs/dbraw/zinc/99/80/45/859998045.db2.gz QYKIJMXYFQKJFK-UHFFFAOYSA-N -1 0 384.367 3.830 20 5 GHBDRM COc1cc(Br)ccc1[C@@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000552189547 860014152 /nfs/dbraw/zinc/01/41/52/860014152.db2.gz VSICIMBAGIUQGM-SECBINFHSA-N -1 0 395.209 3.563 20 5 GHBDRM Cc1ccsc1-c1nc(=NC(=O)NCc2cccc([N+](=O)[O-])c2C)s[n-]1 ZINC000484751765 860321754 /nfs/dbraw/zinc/32/17/54/860321754.db2.gz MQNMYQYMOKCOFQ-UHFFFAOYSA-N -1 0 389.462 3.535 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000093928866 860377335 /nfs/dbraw/zinc/37/73/35/860377335.db2.gz DHLLXONMJNOOKD-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(F)(F)F)cs2)c(C)c1[N+](=O)[O-] ZINC000598735256 860534538 /nfs/dbraw/zinc/53/45/38/860534538.db2.gz VIIBHURMGXITGI-UHFFFAOYSA-N -1 0 395.384 3.574 20 5 GHBDRM Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000108759289 860666908 /nfs/dbraw/zinc/66/69/08/860666908.db2.gz QKDCIQKTDAWOAN-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCc1ccc(Cl)cc1Cl ZINC000392769086 860843417 /nfs/dbraw/zinc/84/34/17/860843417.db2.gz VIPTWLHRZSNLHY-UHFFFAOYSA-N -1 0 393.223 3.562 20 5 GHBDRM Cc1c(Cl)cccc1N=c1[n-]nc(SCCn2ccc([N+](=O)[O-])n2)s1 ZINC000481269151 860889778 /nfs/dbraw/zinc/88/97/78/860889778.db2.gz QCCMBUNIFOCJQE-UHFFFAOYSA-N -1 0 396.885 3.562 20 5 GHBDRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000734079805 863983263 /nfs/dbraw/zinc/98/32/63/863983263.db2.gz JHEDDBOPRBYVBA-HNNXBMFYSA-N -1 0 382.482 3.623 20 5 GHBDRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000737354811 865388218 /nfs/dbraw/zinc/38/82/18/865388218.db2.gz GTJINPGGYCZJPF-ZDUSSCGKSA-N -1 0 390.461 3.713 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2N2CCCCC2)cc1 ZINC000608887258 865818264 /nfs/dbraw/zinc/81/82/64/865818264.db2.gz VTQCIDULLBYSTC-UHFFFAOYSA-N -1 0 379.413 3.525 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(-c2cncnc2)cc1F ZINC000186664201 866567829 /nfs/dbraw/zinc/56/78/29/866567829.db2.gz NQHKAZTUZIWZIO-UHFFFAOYSA-N -1 0 388.742 3.802 20 5 GHBDRM CC[C@H]1CCc2nc([N-]S(=O)(=O)Cc3ccccc3[N+](=O)[O-])sc2C1 ZINC000183380041 866656616 /nfs/dbraw/zinc/65/66/16/866656616.db2.gz KMYKPKKDULEAGH-NSHDSACASA-N -1 0 381.479 3.508 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000456821890 867188119 /nfs/dbraw/zinc/18/81/19/867188119.db2.gz JUVOZPCDAHDWLL-UHFFFAOYSA-N -1 0 376.359 3.674 20 5 GHBDRM O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000475618327 867544003 /nfs/dbraw/zinc/54/40/03/867544003.db2.gz AIHXAYYLCAGNAJ-UHFFFAOYSA-N -1 0 395.346 3.944 20 5 GHBDRM O=C(NCC1(c2cccc(Br)c2)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000523763079 867912439 /nfs/dbraw/zinc/91/24/39/867912439.db2.gz VUAUCSUZMUNBBJ-UHFFFAOYSA-N -1 0 391.221 3.525 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc3c(s2)C[C@H](C)CC3)c1C ZINC000479985577 868834440 /nfs/dbraw/zinc/83/44/40/868834440.db2.gz JWOIZIWHHOQQAG-SECBINFHSA-N -1 0 381.479 3.594 20 5 GHBDRM CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000535505515 868890707 /nfs/dbraw/zinc/89/07/07/868890707.db2.gz 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CCc1[nH]nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1-c1cccs1 ZINC000446957097 870766138 /nfs/dbraw/zinc/76/61/38/870766138.db2.gz KUCLNUGPOUHVQB-UHFFFAOYSA-N -1 0 396.425 3.549 20 5 GHBDRM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc21 ZINC000195448465 882473358 /nfs/dbraw/zinc/47/33/58/882473358.db2.gz JLCAEGDVPMERPV-UHFFFAOYSA-N -1 0 394.840 3.980 20 5 GHBDRM COc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1C ZINC000766585612 871192676 /nfs/dbraw/zinc/19/26/76/871192676.db2.gz PYVNSOYKVCMRHX-UHFFFAOYSA-N -1 0 384.841 3.983 20 5 GHBDRM COc1ccc(-c2n[n-]c(=NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)o2)cc1 ZINC000463252978 871304691 /nfs/dbraw/zinc/30/46/91/871304691.db2.gz ZMLHTYAKZGMJKV-UHFFFAOYSA-N -1 0 392.371 3.947 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)c2ncccc12 ZINC000463803987 872613940 /nfs/dbraw/zinc/61/39/40/872613940.db2.gz ZYTZQBFAFUPJSW-UHFFFAOYSA-N -1 0 395.396 3.803 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1OC(C)(C)C 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879324895 /nfs/dbraw/zinc/32/48/95/879324895.db2.gz LWZIDPFTWDQPJW-UHFFFAOYSA-N -1 0 397.200 3.864 20 5 GHBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1nc(Br)ccc1[O-] ZINC000790045873 879396377 /nfs/dbraw/zinc/39/63/77/879396377.db2.gz AMGYUDRCSWPPGS-UHFFFAOYSA-N -1 0 386.589 3.672 20 5 GHBDRM CSc1ccc(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000538470287 879559741 /nfs/dbraw/zinc/55/97/41/879559741.db2.gz MNHHWELWTXFOSA-UHFFFAOYSA-N -1 0 385.401 3.608 20 5 GHBDRM Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2Br)cc1[N+](=O)[O-] ZINC000617345472 879616299 /nfs/dbraw/zinc/61/62/99/879616299.db2.gz XFKFLSGERWXUHU-HNNXBMFYSA-N -1 0 379.210 3.581 20 5 GHBDRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000538513301 879635893 /nfs/dbraw/zinc/63/58/93/879635893.db2.gz CYBHOEUJPMMTHN-UHFFFAOYSA-N -1 0 391.468 3.594 20 5 GHBDRM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000031535278 879643845 /nfs/dbraw/zinc/64/38/45/879643845.db2.gz GNHOXIYMEOTPLM-UHFFFAOYSA-N 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O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(-c2cncnc2)cc1 ZINC000609796431 883656943 /nfs/dbraw/zinc/65/69/43/883656943.db2.gz VGLHQGDBBVRLNV-UHFFFAOYSA-N -1 0 390.808 3.506 20 5 GHBDRM COc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(OC(F)F)c1 ZINC000476153322 884145903 /nfs/dbraw/zinc/14/59/03/884145903.db2.gz NOGGJZUBMDPSPI-UHFFFAOYSA-N -1 0 388.710 3.816 20 5 GHBDRM O=[N+]([O-])c1cc(Br)cc([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000556349986 884558582 /nfs/dbraw/zinc/55/85/82/884558582.db2.gz QNRIFAXMPHSLEM-UHFFFAOYSA-N -1 0 397.206 3.904 20 5 GHBDRM O=C([O-])/C=C\c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000914729924 884636028 /nfs/dbraw/zinc/63/60/28/884636028.db2.gz CNMIKAFKUJBMTH-KAMYIIQDSA-N -1 0 398.418 3.891 20 5 GHBDRM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(F)cc([N+](=O)[O-])c3)cc(Cl)c2O1 ZINC000475834950 884804784 /nfs/dbraw/zinc/80/47/84/884804784.db2.gz QNQSYTFMBNLSIV-QMMMGPOBSA-N -1 0 386.788 3.512 20 5 GHBDRM O=C(NCC1(c2ccccc2Br)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000498910688 886101653 /nfs/dbraw/zinc/10/16/53/886101653.db2.gz MLNVBUXKGDTTLQ-UHFFFAOYSA-N -1 0 391.221 3.525 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1c(Cl)nc2cc(Cl)ccn21 ZINC000794698109 887881458 /nfs/dbraw/zinc/88/14/58/887881458.db2.gz MFCRFJHBYMXYSL-UPHRSURJSA-N -1 0 379.159 3.813 20 5 GHBDRM O=C(Nc1ccc(OC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1)c1cccs1 ZINC000794846898 888403196 /nfs/dbraw/zinc/40/31/96/888403196.db2.gz KSJWHBGEKJJWOJ-UHFFFAOYSA-N -1 0 384.369 3.833 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)ccc1Br ZINC000120748425 888578531 /nfs/dbraw/zinc/57/85/31/888578531.db2.gz ANSASERPHCNQEU-UHFFFAOYSA-N -1 0 396.222 3.639 20 5 GHBDRM C[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001184545310 913276334 /nfs/dbraw/zinc/27/63/34/913276334.db2.gz NYTGIAYSTBNNFT-LLVKDONJSA-N -1 0 386.832 3.687 20 5 GHBDRM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000916176588 888792321 /nfs/dbraw/zinc/79/23/21/888792321.db2.gz RVHKLUZLKJLGGA-UHFFFAOYSA-N -1 0 396.833 3.582 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)c1 ZINC000916173559 888808747 /nfs/dbraw/zinc/80/87/47/888808747.db2.gz XHGREDRQZCKGJY-UHFFFAOYSA-N -1 0 390.442 3.545 20 5 GHBDRM O=C(N=c1ncn(C2CCCCC2)[n-]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454309951 888818650 /nfs/dbraw/zinc/81/86/50/888818650.db2.gz JUBRWBIOFNGICZ-MRXNPFEDSA-N -1 0 398.467 3.525 20 5 GHBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001212217285 890504229 /nfs/dbraw/zinc/50/42/29/890504229.db2.gz RRWRNMGZOQQKKJ-UKRRQHHQSA-N -1 0 395.868 3.648 20 5 GHBDRM Cc1cc(C)n(-c2ccc(CNc3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])cn2)n1 ZINC000917082627 891017834 /nfs/dbraw/zinc/01/78/34/891017834.db2.gz YPXYUEFESLLPGI-VMPITWQZSA-N -1 0 393.403 3.502 20 5 GHBDRM O=C([O-])c1cc(NCCc2ccc(F)c(Br)c2)ccc1[N+](=O)[O-] ZINC000917092813 891138209 /nfs/dbraw/zinc/13/82/09/891138209.db2.gz BMOFMRSYCPULLN-UHFFFAOYSA-N -1 0 383.173 3.849 20 5 GHBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc2c(c1)OC1(CCCC1)O2 ZINC000917727031 892471071 /nfs/dbraw/zinc/47/10/71/892471071.db2.gz XKIZKZMXXWENRV-UHFFFAOYSA-N -1 0 394.380 3.576 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1C[C@H]2CCCCN2c2ccccc21 ZINC000563196890 893470028 /nfs/dbraw/zinc/47/00/28/893470028.db2.gz XNZKUZPPOXBMBR-CYBMUJFWSA-N -1 0 387.823 3.973 20 5 GHBDRM Cc1cc(N2CCC3(CC2)OCCc2ccsc23)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563203858 893474295 /nfs/dbraw/zinc/47/42/95/893474295.db2.gz FBXQYXFPEDDPSN-UHFFFAOYSA-N -1 0 388.445 3.731 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c3cccnc23)c1 ZINC000194663884 893760072 /nfs/dbraw/zinc/76/00/72/893760072.db2.gz DXRUVOOJCKOPON-UHFFFAOYSA-N -1 0 395.343 3.545 20 5 GHBDRM C[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000565038754 895363120 /nfs/dbraw/zinc/36/31/20/895363120.db2.gz SEMMQJLJNHFKHU-SECBINFHSA-N -1 0 385.298 3.802 20 5 GHBDRM C[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1Cl ZINC000817862484 895936047 /nfs/dbraw/zinc/93/60/47/895936047.db2.gz JZTKKBYFOCELCR-SSDOTTSWSA-N -1 0 389.717 3.859 20 5 GHBDRM CCOc1cccc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c1OC(F)F ZINC000566291383 896219763 /nfs/dbraw/zinc/21/97/63/896219763.db2.gz IEGMUWXSATTYIU-UHFFFAOYSA-N -1 0 396.346 3.834 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1Cl ZINC000211620275 896348105 /nfs/dbraw/zinc/34/81/05/896348105.db2.gz PDAYECOSYMSROZ-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)c(F)c1 ZINC000566752126 896542745 /nfs/dbraw/zinc/54/27/45/896542745.db2.gz CBICNKQSOACNAU-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC001136212765 896587180 /nfs/dbraw/zinc/58/71/80/896587180.db2.gz MPJFXLPLGQAJLI-KBPBESRZSA-N -1 0 397.431 3.671 20 5 GHBDRM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000567032631 896816685 /nfs/dbraw/zinc/81/66/85/896816685.db2.gz APVHGCGJCXNWNW-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=C(N[C@H](COc1ccccc1F)c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001136270588 896997128 /nfs/dbraw/zinc/99/71/28/896997128.db2.gz AFKILFRMWMPZKI-QGZVFWFLSA-N -1 0 396.374 3.990 20 5 GHBDRM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])CCC2 ZINC000567939317 897497491 /nfs/dbraw/zinc/49/74/91/897497491.db2.gz VXAJMSYKOZJZGM-LBPRGKRZSA-N -1 0 381.841 3.868 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)ccc1Cl ZINC000132257635 897737092 /nfs/dbraw/zinc/73/70/92/897737092.db2.gz OUCQUFBSAKCTHT-UHFFFAOYSA-N -1 0 384.826 3.501 20 5 GHBDRM Cc1cc(N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568637271 897998762 /nfs/dbraw/zinc/99/87/62/897998762.db2.gz LKJNCWHUZUYPSD-QRVBRYPASA-N -1 0 382.416 3.610 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1[N+](=O)[O-] ZINC000135924401 900516973 /nfs/dbraw/zinc/51/69/73/900516973.db2.gz HKXCSORNVMMILD-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM CCOc1ccc([N-]S(=O)(=O)c2c(C)n(C)c3ccccc32)c([N+](=O)[O-])c1 ZINC000576712749 902211860 /nfs/dbraw/zinc/21/18/60/902211860.db2.gz RFZCGMRTSXFJDL-UHFFFAOYSA-N -1 0 389.433 3.594 20 5 GHBDRM CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000600877979 903038201 /nfs/dbraw/zinc/03/82/01/903038201.db2.gz UPOQDLJVNWUOLL-QGZVFWFLSA-N -1 0 386.379 3.840 20 5 GHBDRM Cc1cc(CCCC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000600879242 903040222 /nfs/dbraw/zinc/04/02/22/903040222.db2.gz VVIXFVIICYIOQM-LJQANCHMSA-N -1 0 390.461 3.712 20 5 GHBDRM O=C([O-])c1ccnc(N[C@H]2CCCc3cc(OC(F)F)ccc32)c1[N+](=O)[O-] ZINC000577853612 903272326 /nfs/dbraw/zinc/27/23/26/903272326.db2.gz NAPVTHLQJSWQDO-ZDUSSCGKSA-N -1 0 379.319 3.779 20 5 GHBDRM CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000779047065 903511241 /nfs/dbraw/zinc/51/12/41/903511241.db2.gz DCLOJRHXEYNOBG-JTQLQIEISA-N -1 0 399.831 3.539 20 5 GHBDRM COc1ccc([N+](=O)[O-])c(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)n1 ZINC001212698765 906105588 /nfs/dbraw/zinc/10/55/88/906105588.db2.gz VWLLXVKVONFKMC-UHFFFAOYSA-N -1 0 387.402 3.614 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)ccc1Cl ZINC000779458324 907250891 /nfs/dbraw/zinc/25/08/91/907250891.db2.gz GJYTZNWCYFFQOD-UHFFFAOYSA-N -1 0 396.837 3.568 20 5 GHBDRM Nc1cc2oc3c/c(=N/c4cncc(C(=O)[O-])c4)ccc-3nc2c2ccccc12 ZINC001175843315 907758897 /nfs/dbraw/zinc/75/88/97/907758897.db2.gz PNGGDSXHCHWZFQ-DHRITJCHSA-N -1 0 382.379 3.994 20 5 GHBDRM CCOC(=O)c1sc2ncccc2c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176674465 908204372 /nfs/dbraw/zinc/20/43/72/908204372.db2.gz KIJSLDPQAYTEQP-UHFFFAOYSA-N -1 0 387.373 3.823 20 5 GHBDRM CN(Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000902004853 921806866 /nfs/dbraw/zinc/80/68/66/921806866.db2.gz WCEWOCOJWFNZHF-ZDUSSCGKSA-N -1 0 399.266 3.547 20 5 GHBDRM O=S(=O)([N-]c1cc2cccnc2c2ncccc12)C(Cl)(Cl)Cl ZINC001192034471 918367320 /nfs/dbraw/zinc/36/73/20/918367320.db2.gz HIHHCWMZSLXEER-UHFFFAOYSA-N -1 0 376.652 3.852 20 5 GHBDRM O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119809829 919654835 /nfs/dbraw/zinc/65/48/35/919654835.db2.gz RNVCHNKEFZKTNU-ZDUSSCGKSA-N -1 0 376.237 3.612 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)ccn2)cs1 ZINC000120032220 919681779 /nfs/dbraw/zinc/68/17/79/919681779.db2.gz XPEKPMWMLNEVRG-UHFFFAOYSA-N -1 0 389.458 3.637 20 5 GHBDRM Cc1cc(=O)c(COC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n[n-]1 ZINC000802165219 921871992 /nfs/dbraw/zinc/87/19/92/921871992.db2.gz CPFNLJPWBZLRHF-UHFFFAOYSA-N -1 0 397.412 3.907 20 5 GHBDRM CCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCN(C(=O)c2ccccc2)CC1 ZINC000371574122 924685534 /nfs/dbraw/zinc/68/55/34/924685534.db2.gz KXYVLLAPAAMQNB-UHFFFAOYSA-N -1 0 397.431 3.572 20 5 GHBDRM CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)sc2C1 ZINC000409535873 924733965 /nfs/dbraw/zinc/73/39/65/924733965.db2.gz NSOQRLQKJOCIMO-LLVKDONJSA-N -1 0 381.479 3.675 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ccccc2NC(C)(C)C)c([N+](=O)[O-])c1 ZINC000410399458 925616661 /nfs/dbraw/zinc/61/66/61/925616661.db2.gz FHBDDMLWQKGHAW-UHFFFAOYSA-N -1 0 379.438 3.615 20 5 GHBDRM Cn1cc(/C=C\c2ncc(/C=C\C(=O)[O-])s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000751039449 927997219 /nfs/dbraw/zinc/99/72/19/927997219.db2.gz RZSMWYRWRITQNI-CKCLTMHVSA-N -1 0 382.401 3.720 20 5 GHBDRM CCC[C@H]1CCc2nc([N-]S(=O)(=O)Cc3ccccc3[N+](=O)[O-])sc2C1 ZINC000546086984 929838602 /nfs/dbraw/zinc/83/86/02/929838602.db2.gz RGHNDAOTMPFJQE-LBPRGKRZSA-N -1 0 395.506 3.898 20 5 GHBDRM O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000469560620 929990970 /nfs/dbraw/zinc/99/09/70/929990970.db2.gz PNDBLNBMRDHEQQ-UHFFFAOYSA-N -1 0 395.346 3.944 20 5 GHBDRM COc1ccc(C)cc1-c1csc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000469647070 930052509 /nfs/dbraw/zinc/05/25/09/930052509.db2.gz CCHDPOFQNBRBIW-UHFFFAOYSA-N -1 0 385.401 3.993 20 5 GHBDRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000782032489 931066560 /nfs/dbraw/zinc/06/65/60/931066560.db2.gz KZZYHSSRRWYDMW-CQSZACIVSA-N -1 0 396.186 3.739 20 5 GHBDRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Br)c2)c1 ZINC000782265753 931147719 /nfs/dbraw/zinc/14/77/19/931147719.db2.gz UQFCWJHZLXGDER-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=C(NC[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000557341054 931356211 /nfs/dbraw/zinc/35/62/11/931356211.db2.gz ARXRMLXNDMUNCF-GOSISDBHSA-N -1 0 390.823 3.852 20 5 GHBDRM O=C(C[C@@H](c1ncc[nH]1)c1ccccc1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000557663227 931598777 /nfs/dbraw/zinc/59/87/77/931598777.db2.gz YAZPUIMHWHBHMI-CYBMUJFWSA-N -1 0 386.795 3.838 20 5 GHBDRM C[C@H](NC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000797710340 932376996 /nfs/dbraw/zinc/37/69/96/932376996.db2.gz AXSNFTYYOBRGLP-ORAYPTAESA-N -1 0 393.399 3.934 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2cccc3cccnc32)c1 ZINC000798246901 932575511 /nfs/dbraw/zinc/57/55/11/932575511.db2.gz IAMJGRNIYKOOOZ-UHFFFAOYSA-N -1 0 381.772 3.736 20 5 GHBDRM O=[N+]([O-])c1ccc(OC(F)F)c([N-]S(=O)(=O)/C=C\c2ccccc2F)c1 ZINC000799916377 933165402 /nfs/dbraw/zinc/16/54/02/933165402.db2.gz LSGHFSXCFNISRF-FPLPWBNLSA-N -1 0 388.323 3.748 20 5 GHBDRM O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000560648526 933418588 /nfs/dbraw/zinc/41/85/88/933418588.db2.gz IEGYTFBMRGBGES-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM CN(C[C@H]1CC=CCC1)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001117798679 934030987 /nfs/dbraw/zinc/03/09/87/934030987.db2.gz AETWLTWIKXIDMR-LBPRGKRZSA-N -1 0 390.827 3.568 20 5 GHBDRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001595022922 951320426 /nfs/dbraw/zinc/32/04/26/951320426.db2.gz KLYGUMPCGDJUOF-MRXNPFEDSA-N -1 0 382.416 3.598 20 5 GHBDRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC001595023271 951323395 /nfs/dbraw/zinc/32/33/95/951323395.db2.gz SFLMLJFVWCDPCN-AYAUWGRQSA-N -1 0 380.400 3.678 20 5 GHBDRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)Cc3cccc([N+](=O)[O-])c3)sc2[C@@H](C)O1 ZINC001589411318 954517234 /nfs/dbraw/zinc/51/72/34/954517234.db2.gz OTYWHIHHOMYLRO-NXEZZACHSA-N -1 0 390.417 3.558 20 5 GHBDRM O=C([O-])C1(NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CCCCC1 ZINC001594721366 956970489 /nfs/dbraw/zinc/97/04/89/956970489.db2.gz LIPYQTUEDFXAPN-UHFFFAOYSA-N -1 0 379.171 3.558 20 5 GHBDRM CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1[N+](=O)[O-] ZINC000096561732 958337656 /nfs/dbraw/zinc/33/76/56/958337656.db2.gz ZAHDTNMRZBEGHV-UHFFFAOYSA-N -1 0 390.417 3.884 20 5 GHBDRM Cc1ccc([C@@H](C)NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cc1[N+](=O)[O-] ZINC001594350148 958344524 /nfs/dbraw/zinc/34/45/24/958344524.db2.gz SWQNNXZHUQMASO-ZBFHGGJFSA-N -1 0 387.436 3.648 20 5 GHBDRM O=C([O-])Cc1ccccc1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001606318460 973735425 /nfs/dbraw/zinc/73/54/25/973735425.db2.gz SBXLEVIPEZHSJB-MRXNPFEDSA-N -1 0 383.404 3.633 20 5 GHBDRM CC(C)Oc1c(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cccc1C(=O)[O-] ZINC001591745169 975777195 /nfs/dbraw/zinc/77/71/95/975777195.db2.gz YTGAOSJXNXNJKJ-GFCCVEGCSA-N -1 0 387.392 3.963 20 5 GHBDRM CC(C)Oc1ccc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC001591786773 975959782 /nfs/dbraw/zinc/95/97/82/975959782.db2.gz QYPOHJXIPOJJJS-UHFFFAOYSA-N -1 0 390.367 3.791 20 5 GHBDRM CC(C)c1nc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)sc1C(=O)[O-] ZINC001592022216 976717932 /nfs/dbraw/zinc/71/79/32/976717932.db2.gz MRVDGJULPHOTRD-MRVPVSSYSA-N -1 0 381.385 3.754 20 5 GHBDRM CC(C)(C)Sc1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccn1 ZINC000833447794 979186862 /nfs/dbraw/zinc/18/68/62/979186862.db2.gz AEKVTTLCAAAGPF-UHFFFAOYSA-N -1 0 375.406 3.831 20 5 GHBDRM CCC(CC)(CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001595073269 979347095 /nfs/dbraw/zinc/34/70/95/979347095.db2.gz WBQMGFZSHXHKGL-UHFFFAOYSA-N -1 0 388.395 3.920 20 5 GHBDRM C[C@@H](Cc1cncc2ccccc21)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001592908756 979866319 /nfs/dbraw/zinc/86/63/19/979866319.db2.gz IYFBDWKGBXZEOX-LBPRGKRZSA-N -1 0 380.356 3.625 20 5 GHBDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001595361915 980766737 /nfs/dbraw/zinc/76/67/37/980766737.db2.gz RIYZHFGUVJWYAU-MRXNPFEDSA-N -1 0 376.796 3.926 20 5 GHBDRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)c1ccccc1 ZINC001594771219 981746452 /nfs/dbraw/zinc/74/64/52/981746452.db2.gz RYNUZBHWNKNAJF-INIZCTEOSA-N -1 0 386.404 3.892 20 5 GHBDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC001594781683 981788177 /nfs/dbraw/zinc/78/81/77/981788177.db2.gz MBJLOWGPIQMENP-KPZWWZAWSA-N -1 0 380.466 3.567 20 5 GHBDRM CCCCN1CCc2ccc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc21 ZINC001595751744 982436793 /nfs/dbraw/zinc/43/67/93/982436793.db2.gz WHSXRQKOLIDDSK-UHFFFAOYSA-N -1 0 383.404 3.708 20 5 GHBDRM CC[C@H](C)c1ccc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC001595014490 982952788 /nfs/dbraw/zinc/95/27/88/982952788.db2.gz UGCXHSIZJOJRGL-NSHDSACASA-N -1 0 379.390 3.574 20 5 GHBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(C)c(C(=O)[O-])s1 ZINC001595987688 983240044 /nfs/dbraw/zinc/24/00/44/983240044.db2.gz NNKKMQATKQFKDC-UHFFFAOYSA-N -1 0 396.446 3.917 20 5 GHBDRM CCOC(=O)CC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001596600621 984554421 /nfs/dbraw/zinc/55/44/21/984554421.db2.gz BNMQRBFCKKRDLG-LLVKDONJSA-N -1 0 384.816 3.506 20 5 GHBDRM C/C(=C\C(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001588939208 984628121 /nfs/dbraw/zinc/62/81/21/984628121.db2.gz LZQAQZDEOCEPKP-XEDBTPMOSA-N -1 0 386.379 3.644 20 5 GHBDRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC001589385546 986476659 /nfs/dbraw/zinc/47/66/59/986476659.db2.gz IWUDBGRZIYVIRR-MGPLVRAMSA-N -1 0 394.786 3.823 20 5 GHBDRM CCOc1cc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC001597042519 986493849 /nfs/dbraw/zinc/49/38/49/986493849.db2.gz UXAMIVXQNHIIQX-OAHLLOKOSA-N -1 0 387.392 3.639 20 5 GHBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)c1ccccc1 ZINC001589458448 986903121 /nfs/dbraw/zinc/90/31/21/986903121.db2.gz OAXQBLKBLWWWFR-XIKOKIGWSA-N -1 0 394.387 3.727 20 5 GHBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(C(=O)[O-])cc1OC ZINC001597273434 987328809 /nfs/dbraw/zinc/32/88/09/987328809.db2.gz VEKQZVRCIFEWGI-UHFFFAOYSA-N -1 0 377.374 3.633 20 5 GHBDRM CC(C)(C)OC(=O)C1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC1 ZINC001589862027 988449193 /nfs/dbraw/zinc/44/91/93/988449193.db2.gz RJYLVFSDNNZRBX-UHFFFAOYSA-N -1 0 384.816 3.505 20 5 GHBDRM CC(C)(C)OC(=O)N[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])C1CC1 ZINC001590124863 989355501 /nfs/dbraw/zinc/35/55/01/989355501.db2.gz BRXIMKGPSHXITJ-CYBMUJFWSA-N -1 0 399.831 3.662 20 5 GHBDRM CC(C)(C)OC(=O)NCCCCCCOc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC001590185656 989544844 /nfs/dbraw/zinc/54/48/44/989544844.db2.gz VGPRZVZWISRFAC-UHFFFAOYSA-N -1 0 382.413 3.757 20 5 GHBDRM CC(C)(C)c1csc(C2CCN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)n1 ZINC001590533176 990146429 /nfs/dbraw/zinc/14/64/29/990146429.db2.gz RJIJPPDVCUXVOM-UHFFFAOYSA-N -1 0 390.465 3.826 20 5 GHBDRM CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598039814 990267104 /nfs/dbraw/zinc/26/71/04/990267104.db2.gz CHJAIOMWGPJADK-MRXNPFEDSA-N -1 0 397.214 3.728 20 5 GHBDRM CC(C)(NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001590849126 990728286 /nfs/dbraw/zinc/72/82/86/990728286.db2.gz RTNCJILSGSXFKA-KRWDZBQOSA-N -1 0 399.447 3.981 20 5 GHBDRM 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ZINC000545315405 1015768169 /nfs/dbraw/zinc/76/81/69/1015768169.db2.gz ZRUSGDPLQANMMM-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593115042 993797730 /nfs/dbraw/zinc/79/77/30/993797730.db2.gz JCNCLIZILKLERL-JTQLQIEISA-N -1 0 393.783 3.594 20 5 GHBDRM C[C@](NC(=O)c1ccc(-c2ccccc2)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593156003 993972621 /nfs/dbraw/zinc/97/26/21/993972621.db2.gz HMQRKFWWOLWASJ-JOCHJYFZSA-N -1 0 390.395 3.992 20 5 GHBDRM C[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC001593298998 994718032 /nfs/dbraw/zinc/71/80/32/994718032.db2.gz PBELNXZJNVCJTO-NSHDSACASA-N -1 0 393.465 3.663 20 5 GHBDRM COc1cccc(CCNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])c1OC ZINC001599672295 994834936 /nfs/dbraw/zinc/83/49/36/994834936.db2.gz FEDXXPBMVYSGAB-UHFFFAOYSA-N -1 0 380.784 3.618 20 5 GHBDRM C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593365773 995043606 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CCOC(=O)c1c(Nc2ccc([O-])c([N+](=O)[O-])c2)sc2c1CCCC2=O ZINC001210392459 1027484758 /nfs/dbraw/zinc/48/47/58/1027484758.db2.gz DODZYHDFLGMWTE-UHFFFAOYSA-N -1 0 376.390 3.801 20 5 GHBDRM CCOC(=O)Cc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(Br)c1 ZINC001210398283 1027488296 /nfs/dbraw/zinc/48/82/96/1027488296.db2.gz UMTIFDKAMZOAPW-UHFFFAOYSA-N -1 0 395.209 3.912 20 5 GHBDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 ZINC000840944538 1027975844 /nfs/dbraw/zinc/97/58/44/1027975844.db2.gz CEDPXELXAHCBHW-CYBMUJFWSA-N -1 0 383.404 3.635 20 5 GHBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC001213395913 1028162016 /nfs/dbraw/zinc/16/20/16/1028162016.db2.gz RSUREIIGQVTFNH-QGZVFWFLSA-N -1 0 393.440 3.729 20 5 GHBDRM O=C(Nc1ccnn1CCc1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001142681195 1029259288 /nfs/dbraw/zinc/25/92/88/1029259288.db2.gz BWVHPAROGNCPEC-UHFFFAOYSA-N -1 0 386.795 3.645 20 5 GHBDRM O=C1SCCN1Cc1ccccc1-c1noc(-c2cccc([N+](=O)[O-])c2[O-])n1 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CC[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000514793370 850294175 /nfs/dbraw/zinc/29/41/75/850294175.db2.gz WTESFDDFTLIWTL-SSDOTTSWSA-N -1 0 376.316 3.727 20 5 GHBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H](c3nc4ccccc4s3)C2)n1 ZINC000515386302 850974579 /nfs/dbraw/zinc/97/45/79/850974579.db2.gz LOYBNMWXEUZALH-LBPRGKRZSA-N -1 0 398.444 3.990 20 5 GHBDRM O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505728497 851024036 /nfs/dbraw/zinc/02/40/36/851024036.db2.gz BQDNSEPHFRDGCN-UHFFFAOYSA-N -1 0 391.355 3.878 20 5 GHBDRM O=C([O-])Cc1ccc(NCc2cccc(COCC(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000515487810 851097416 /nfs/dbraw/zinc/09/74/16/851097416.db2.gz YXWWXAVGHTXIOO-UHFFFAOYSA-N -1 0 398.337 3.913 20 5 GHBDRM CCCc1c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1ccc(C)cc1 ZINC000430091933 851559616 /nfs/dbraw/zinc/55/96/16/851559616.db2.gz VKKWRDRZLWELGN-UHFFFAOYSA-N -1 0 380.404 3.999 20 5 GHBDRM CCCc1c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1ccccc1C 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Cc1ccc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000481903504 862522080 /nfs/dbraw/zinc/52/20/80/862522080.db2.gz WGTYZDLNNLAZRN-UHFFFAOYSA-N -1 0 376.221 3.714 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1C ZINC000481958339 862550802 /nfs/dbraw/zinc/55/08/02/862550802.db2.gz IYFVWWSHFONBNF-UHFFFAOYSA-N -1 0 386.376 3.656 20 5 GHBDRM C[C@@H]1CCCN(c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)cc2[N+](=O)[O-])C1 ZINC000481964736 862573879 /nfs/dbraw/zinc/57/38/79/862573879.db2.gz VNCNZFULJDFNPB-CYBMUJFWSA-N -1 0 383.404 3.782 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C(F)(F)F)cc1C ZINC000589557709 855026363 /nfs/dbraw/zinc/02/63/63/855026363.db2.gz LGPNGLPRWQUTCC-UHFFFAOYSA-N -1 0 389.355 3.680 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)nn1C1CCCCC1 ZINC000589558905 855026528 /nfs/dbraw/zinc/02/65/28/855026528.db2.gz MGXZBXDWPHEXTH-UHFFFAOYSA-N -1 0 384.483 3.776 20 5 GHBDRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])cc2)oc1C 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MOFHKDXCFVWABW-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM Cc1cc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592977015 857146133 /nfs/dbraw/zinc/14/61/33/857146133.db2.gz QTTAMLIQTSYYEX-UHFFFAOYSA-N -1 0 398.341 3.658 20 5 GHBDRM Cc1cc(N2CCC(c3nc(C(=O)[O-])cs3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000592982346 857172929 /nfs/dbraw/zinc/17/29/29/857172929.db2.gz AMXNSNAVHBJRFP-UHFFFAOYSA-N -1 0 398.444 3.990 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000108639502 857343096 /nfs/dbraw/zinc/34/30/96/857343096.db2.gz NSQMWGAFPWCJFD-UHFFFAOYSA-N -1 0 398.444 3.595 20 5 GHBDRM CCCCCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OC ZINC000486102642 857430739 /nfs/dbraw/zinc/43/07/39/857430739.db2.gz JVFISUKLZTYBOM-VURMDHGXSA-N -1 0 375.381 3.544 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1-c1cccc(Cl)c1 ZINC000442217398 857632067 /nfs/dbraw/zinc/63/20/67/857632067.db2.gz UVVPKPZPRDSLGL-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2)n1 ZINC000164775525 862938653 /nfs/dbraw/zinc/93/86/53/862938653.db2.gz QXVBNKKXQUEXTE-CQSZACIVSA-N -1 0 380.404 3.594 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000486388341 857700067 /nfs/dbraw/zinc/70/00/67/857700067.db2.gz RJUPXHDEWJZMDX-UHFFFAOYSA-N -1 0 376.415 3.808 20 5 GHBDRM CC(C)n1nc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000114054349 857870711 /nfs/dbraw/zinc/87/07/11/857870711.db2.gz QIDDHDVTUCJJST-UHFFFAOYSA-N -1 0 392.462 3.902 20 5 GHBDRM CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C(=O)[O-] ZINC000594468050 858198844 /nfs/dbraw/zinc/19/88/44/858198844.db2.gz PLCZJBIFRRPQLC-MRXNPFEDSA-N -1 0 388.445 3.833 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC2(CC1)OCc1ccccc12 ZINC000592776096 858217478 /nfs/dbraw/zinc/21/74/78/858217478.db2.gz JTLXGUIDPIFNDH-UHFFFAOYSA-N -1 0 388.807 3.616 20 5 GHBDRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2COC)c1 ZINC000594720200 858263486 /nfs/dbraw/zinc/26/34/86/858263486.db2.gz HUXCPSWRJAZYBK-ZDUSSCGKSA-N -1 0 394.449 3.719 20 5 GHBDRM CCCCN(C(=O)c1cccc([O-])c1[N+](=O)[O-])[C@@H]1CCc2ncsc2C1 ZINC000592902891 858373368 /nfs/dbraw/zinc/37/33/68/858373368.db2.gz UIQYZYSBSFETFV-GFCCVEGCSA-N -1 0 375.450 3.557 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c2cccnc21 ZINC000184966194 858760773 /nfs/dbraw/zinc/76/07/73/858760773.db2.gz ZIQJXHGREJBNAN-UHFFFAOYSA-N -1 0 381.772 3.736 20 5 GHBDRM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000068139050 858906913 /nfs/dbraw/zinc/90/69/13/858906913.db2.gz GSBJWARINYQUSH-UHFFFAOYSA-N -1 0 384.841 3.974 20 5 GHBDRM Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000509392361 859280763 /nfs/dbraw/zinc/28/07/63/859280763.db2.gz PDFQYWATSNPBSQ-UHFFFAOYSA-N -1 0 383.429 3.690 20 5 GHBDRM Cc1cc(CSc2ncccc2C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)no1 ZINC000543447880 859750295 /nfs/dbraw/zinc/75/02/95/859750295.db2.gz 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O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000768969102 873713376 /nfs/dbraw/zinc/71/33/76/873713376.db2.gz KGLIEGGNNUCDKT-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM O=C(Nc1n[nH]c(-c2ccc(O)c(Cl)c2)n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000771598216 875338576 /nfs/dbraw/zinc/33/85/76/875338576.db2.gz VHOBQRYJGJKPML-UHFFFAOYSA-N -1 0 394.174 3.645 20 5 GHBDRM CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000776196810 875788521 /nfs/dbraw/zinc/78/85/21/875788521.db2.gz LONLHMUYKRTVCH-ORAYPTAESA-N -1 0 393.440 3.713 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cc(Br)cc2cccnc21 ZINC000776196546 875794467 /nfs/dbraw/zinc/79/44/67/875794467.db2.gz IQBYBWYRAKMXGP-UHFFFAOYSA-N -1 0 388.177 3.863 20 5 GHBDRM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491608825 875845264 /nfs/dbraw/zinc/84/52/64/875845264.db2.gz BNJCHBSUMZPCBZ-UHFFFAOYSA-N -1 0 398.824 3.672 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 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O=C(Nc1cc(Cl)c([O-])cc1F)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000805257017 883722151 /nfs/dbraw/zinc/72/21/51/883722151.db2.gz NRTIHIRAVBVWKY-UHFFFAOYSA-N -1 0 379.775 3.945 20 5 GHBDRM Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000475812954 884140317 /nfs/dbraw/zinc/14/03/17/884140317.db2.gz GGICCLPBQFEYRP-UHFFFAOYSA-N -1 0 387.392 3.905 20 5 GHBDRM O=[N+]([O-])c1cc(Br)cc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000556351565 884588981 /nfs/dbraw/zinc/58/89/81/884588981.db2.gz PYHJOLIHGJVUIB-UHFFFAOYSA-N -1 0 397.659 3.873 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1[N+](=O)[O-] ZINC000176579221 884780228 /nfs/dbraw/zinc/78/02/28/884780228.db2.gz LVNWWILVVDQNAF-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000475839287 885059873 /nfs/dbraw/zinc/05/98/73/885059873.db2.gz VXQFWPIWQDRVER-UHFFFAOYSA-N -1 0 386.788 3.781 20 5 GHBDRM O=C(Nc1cccc(-c2n[nH]c3c2CCCC3)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000586340491 885134776 /nfs/dbraw/zinc/13/47/76/885134776.db2.gz HIGUDEZPXYIHOH-UHFFFAOYSA-N -1 0 378.388 3.822 20 5 GHBDRM C[C@@H](Cc1nnc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])o1)CC(C)(C)C ZINC000194881854 885300799 /nfs/dbraw/zinc/30/07/99/885300799.db2.gz KFRMHCIHGYCXNJ-LBPRGKRZSA-N -1 0 396.469 3.535 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1nnc(C[C@H](C)CC(C)(C)C)o1 ZINC000194883509 885308691 /nfs/dbraw/zinc/30/86/91/885308691.db2.gz HAYZZJYZGJWFLI-NSHDSACASA-N -1 0 396.469 3.702 20 5 GHBDRM CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)cc1[N+](=O)[O-] ZINC000262437171 886105041 /nfs/dbraw/zinc/10/50/41/886105041.db2.gz TXPAYSWNIPFIKW-UHFFFAOYSA-N -1 0 388.376 3.731 20 5 GHBDRM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000195128994 886422730 /nfs/dbraw/zinc/42/27/30/886422730.db2.gz UKPVIQJRHKBRMD-UHFFFAOYSA-N -1 0 397.431 3.733 20 5 GHBDRM CN(C(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000863470859 887135720 /nfs/dbraw/zinc/13/57/20/887135720.db2.gz 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GHBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000814285457 892491188 /nfs/dbraw/zinc/49/11/88/892491188.db2.gz INSQYOXYKASDMO-ZDUSSCGKSA-N -1 0 376.768 3.533 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2ncsc2C(C)C)c1 ZINC000288327783 913731349 /nfs/dbraw/zinc/73/13/49/913731349.db2.gz VIHDNLNPKOSFPX-UHFFFAOYSA-N -1 0 375.859 3.937 20 5 GHBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000537089294 894326647 /nfs/dbraw/zinc/32/66/47/894326647.db2.gz XOBOOOLXRDTTOD-UHFFFAOYSA-N -1 0 380.495 3.919 20 5 GHBDRM C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(Br)cc1F ZINC000564012233 894449838 /nfs/dbraw/zinc/44/98/38/894449838.db2.gz HFOOAAXWZQNQFG-MRVPVSSYSA-N -1 0 383.173 3.693 20 5 GHBDRM Cc1sc([C@H]2CCCN2c2ccc3cc([N+](=O)[O-])ccc3n2)nc1C(=O)[O-] ZINC000566298210 896224908 /nfs/dbraw/zinc/22/49/08/896224908.db2.gz XPUDMENCLZRDOZ-CQSZACIVSA-N -1 0 384.417 3.948 20 5 GHBDRM O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001136219164 896702715 /nfs/dbraw/zinc/70/27/15/896702715.db2.gz LPILLIHDBAQATM-QGZVFWFLSA-N -1 0 389.839 3.521 20 5 GHBDRM CCOCCOCc1cccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC001136291475 897083905 /nfs/dbraw/zinc/08/39/05/897083905.db2.gz AGBYBGQBHWWMIH-UHFFFAOYSA-N -1 0 394.811 3.759 20 5 GHBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2csnc2-c2ccccc2)ccc1F ZINC000821123713 897723609 /nfs/dbraw/zinc/72/36/09/897723609.db2.gz FWDRIVHZBLRSON-UHFFFAOYSA-N -1 0 379.394 3.658 20 5 GHBDRM Cc1sc([C@@H]2CCCN2c2ccnc3c2cccc3[N+](=O)[O-])nc1C(=O)[O-] ZINC000569608636 898825214 /nfs/dbraw/zinc/82/52/14/898825214.db2.gz MFFNLCQZNCETOW-AWEZNQCLSA-N -1 0 384.417 3.948 20 5 GHBDRM Cc1ccc([C@@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1[N+](=O)[O-] ZINC001137044651 900200039 /nfs/dbraw/zinc/20/00/39/900200039.db2.gz IWENLFDZQRZENV-SECBINFHSA-N -1 0 379.756 3.661 20 5 GHBDRM O=C([O-])Cc1ccc(N2CCC(OCc3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000844212669 900607194 /nfs/dbraw/zinc/60/71/94/900607194.db2.gz 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CC1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000586105557 904345812 /nfs/dbraw/zinc/34/58/12/904345812.db2.gz OSSFATWWPLDJCU-UHFFFAOYSA-N -1 0 375.450 3.632 20 5 GHBDRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)n[nH]2)o1 ZINC000773279911 904672493 /nfs/dbraw/zinc/67/24/93/904672493.db2.gz QPOUZRHVFPAULZ-UHFFFAOYSA-N -1 0 396.812 3.649 20 5 GHBDRM O=C(N[C@H](CCc1ccccc1)c1ccccn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001171654957 904900496 /nfs/dbraw/zinc/90/04/96/904900496.db2.gz IQYDISVDTIKEGK-LJQANCHMSA-N -1 0 377.400 3.799 20 5 GHBDRM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000190390591 906015773 /nfs/dbraw/zinc/01/57/73/906015773.db2.gz LYUPIULIBGCAIP-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM O=C([O-])c1ccc(Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC001174504915 907079620 /nfs/dbraw/zinc/07/96/20/907079620.db2.gz KYIHIDRDHISKJW-UHFFFAOYSA-N -1 0 391.383 3.967 20 5 GHBDRM O=C([O-])c1ccc(Nc2ccccc2S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001174504257 907079709 /nfs/dbraw/zinc/07/97/09/907079709.db2.gz HXSCEUJTODQLML-UHFFFAOYSA-N -1 0 398.396 3.869 20 5 GHBDRM O=C([O-])c1ccc(Nc2cccc([C@@H]3CN4C=CSC4=N3)c2)cc1[N+](=O)[O-] ZINC001174505101 907079859 /nfs/dbraw/zinc/07/98/59/907079859.db2.gz OLRNUAMVQMJUDU-HNNXBMFYSA-N -1 0 382.401 3.967 20 5 GHBDRM O=C([O-])c1ccc(Nc2ccc3nc(-c4cccc(F)c4)nn3c2)cc1[N+](=O)[O-] ZINC001174504453 907080433 /nfs/dbraw/zinc/08/04/33/907080433.db2.gz OECBNEYTSSFCEU-UHFFFAOYSA-N -1 0 393.334 3.885 20 5 GHBDRM O=C([O-])c1cc(Nc2ccc(OC[C@H]3CCCO3)c(F)c2)cc([N+](=O)[O-])c1 ZINC001176677561 908205546 /nfs/dbraw/zinc/20/55/46/908205546.db2.gz YUCGQUTZSNOMFE-OAHLLOKOSA-N -1 0 376.340 3.734 20 5 GHBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(Cl)c1 ZINC000194119418 908858785 /nfs/dbraw/zinc/85/87/85/908858785.db2.gz HYLCLETWTLBQKF-UHFFFAOYSA-N -1 0 396.730 3.790 20 5 GHBDRM O=C(Nc1nc2ccccc2n1CC1CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001178255550 908954542 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IOASLBOPHVQSLQ-UHFFFAOYSA-N -1 0 382.482 3.537 20 5 GHBDRM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000118953303 919600150 /nfs/dbraw/zinc/60/01/50/919600150.db2.gz XUKHWKRYRCZARK-UHFFFAOYSA-N -1 0 392.462 3.568 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc1[N+](=O)[O-] ZINC000119052987 919601990 /nfs/dbraw/zinc/60/19/90/919601990.db2.gz NPGBKQZJFPWUTK-UHFFFAOYSA-N -1 0 382.341 3.506 20 5 GHBDRM C[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000119733024 919649839 /nfs/dbraw/zinc/64/98/39/919649839.db2.gz FBUJONBHFFIPOV-JTQLQIEISA-N -1 0 395.487 3.819 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)sc1-c1ccccc1 ZINC000119984741 919674408 /nfs/dbraw/zinc/67/44/08/919674408.db2.gz NGNFATMLZVCYIW-UHFFFAOYSA-N -1 0 381.460 3.889 20 5 GHBDRM Cc1c([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])noc1-c1ccccc1F ZINC000369681566 923539132 /nfs/dbraw/zinc/53/91/32/923539132.db2.gz NLCSHYSTUMTDFI-UHFFFAOYSA-N -1 0 391.380 3.639 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(OCC(F)F)cc1 ZINC000748646789 923772467 /nfs/dbraw/zinc/77/24/67/923772467.db2.gz IJRIQWHSIGVCBO-UHFFFAOYSA-N -1 0 392.767 3.693 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc(Cc2ccccc2)cs1 ZINC000409492493 924696247 /nfs/dbraw/zinc/69/62/47/924696247.db2.gz QKYNKAUGHBFPFO-UHFFFAOYSA-N -1 0 389.458 3.751 20 5 GHBDRM CC1(C)CCCC[C@H]1NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001137373304 925136997 /nfs/dbraw/zinc/13/69/97/925136997.db2.gz VTJDMGFLWOERKI-OAHLLOKOSA-N -1 0 392.843 3.838 20 5 GHBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NC(C)(C)C ZINC000410409400 925623451 /nfs/dbraw/zinc/62/34/51/925623451.db2.gz UQCIOSSLWHOHKC-UHFFFAOYSA-N -1 0 379.438 3.620 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000410420661 925634059 /nfs/dbraw/zinc/63/40/59/925634059.db2.gz PTVHRQQMCMREFN-UHFFFAOYSA-N -1 0 383.159 3.981 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000751259756 928097184 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396.730 3.790 20 5 GHBDRM Cc1nc2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3F)ccc2s1 ZINC000781120174 930707094 /nfs/dbraw/zinc/70/70/94/930707094.db2.gz IDBWKVXHBDEWAR-UHFFFAOYSA-N -1 0 381.410 3.761 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)c1 ZINC000783807683 931661352 /nfs/dbraw/zinc/66/13/52/931661352.db2.gz NRBJQQIDBPQFPQ-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM CSc1c(F)cc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1F ZINC000783856180 931693987 /nfs/dbraw/zinc/69/39/87/931693987.db2.gz RPNQKCOWYNMVFO-UHFFFAOYSA-N -1 0 392.380 3.843 20 5 GHBDRM Cc1cscc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C ZINC000777645273 932696538 /nfs/dbraw/zinc/69/65/38/932696538.db2.gz PZBFZJIGQOHCNZ-UHFFFAOYSA-N -1 0 391.268 3.836 20 5 GHBDRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cs1 ZINC000560013445 933020287 /nfs/dbraw/zinc/02/02/87/933020287.db2.gz RCKJHWXJVDMBHR-UHFFFAOYSA-N -1 0 398.462 3.541 20 5 GHBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(c3nc4ccccc4o3)CC2)n1 ZINC001118285019 934127962 /nfs/dbraw/zinc/12/79/62/934127962.db2.gz QXRDNUATCUJNPP-UHFFFAOYSA-N -1 0 382.376 3.522 20 5 GHBDRM O=C([O-])c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c(F)c1 ZINC001602381208 971192148 /nfs/dbraw/zinc/19/21/48/971192148.db2.gz YQLYWTFWCLLYBW-UHFFFAOYSA-N -1 0 389.158 3.508 20 5 GHBDRM CC(C)(NCc1ccc(N2CCC(C(=O)[O-])CC2)o1)c1ccccc1[N+](=O)[O-] ZINC001602953740 971931240 /nfs/dbraw/zinc/93/12/40/971931240.db2.gz NDMQAXHNPRLGNP-UHFFFAOYSA-N -1 0 387.436 3.514 20 5 GHBDRM CC[C@H](NC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001593618626 953509479 /nfs/dbraw/zinc/50/94/79/953509479.db2.gz YQGJKZXCBVZCQE-BZSNNMDCSA-N -1 0 383.404 3.658 20 5 GHBDRM O=C([O-])c1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)nc1 ZINC001574791255 957812748 /nfs/dbraw/zinc/81/27/48/957812748.db2.gz SJBTXJLXNWLJOR-UHFFFAOYSA-N -1 0 377.356 3.535 20 5 GHBDRM O=C([O-])CCCCC(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 ZINC001606146082 973401417 /nfs/dbraw/zinc/40/14/17/973401417.db2.gz HARIGIJMNYXXHJ-UHFFFAOYSA-N -1 0 398.375 3.624 20 5 GHBDRM CC(C)Oc1c(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)cccc1C(=O)[O-] ZINC001591741312 975752414 /nfs/dbraw/zinc/75/24/14/975752414.db2.gz FLRVIMZGIZCZFU-UHFFFAOYSA-N -1 0 392.795 3.915 20 5 GHBDRM CC(C)Oc1cccc([C@@H](O)CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC001591792216 975996374 /nfs/dbraw/zinc/99/63/74/975996374.db2.gz OARFOPPSZFORFY-INIZCTEOSA-N -1 0 394.811 3.879 20 5 GHBDRM CC(C)c1ccc(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)cc1[N+](=O)[O-] ZINC001591947816 976495064 /nfs/dbraw/zinc/49/50/64/976495064.db2.gz XRCHJIAMNHLVSH-UHFFFAOYSA-N -1 0 377.422 3.789 20 5 GHBDRM C[C@@H](CCc1ccc(Br)cc1)Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001592536975 978408937 /nfs/dbraw/zinc/40/89/37/978408937.db2.gz AVEDSISQQKWFIH-JTQLQIEISA-N -1 0 394.225 3.884 20 5 GHBDRM C[C@H](CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC001592605435 978551983 /nfs/dbraw/zinc/55/19/83/978551983.db2.gz KLJBYELQWDSZKK-GFCCVEGCSA-N -1 0 376.796 3.611 20 5 GHBDRM C[C@H](Cc1ccc(NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1)C(=O)[O-] ZINC001592877692 979745422 /nfs/dbraw/zinc/74/54/22/979745422.db2.gz OWFOUTJDDFPWFI-OAHLLOKOSA-N -1 0 383.448 3.939 20 5 GHBDRM C[C@@H](Cc1ccc(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1)C(=O)[O-] ZINC001592878003 979747604 /nfs/dbraw/zinc/74/76/04/979747604.db2.gz UBQZBIPHWDSUAO-LBPRGKRZSA-N -1 0 382.376 3.520 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001595211915 979995616 /nfs/dbraw/zinc/99/56/16/979995616.db2.gz LBUVFBLBYRNRFV-RDTXWAMCSA-N -1 0 388.395 3.635 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1c(OC)cccc1C(=O)[O-] ZINC001595213938 980012478 /nfs/dbraw/zinc/01/24/78/980012478.db2.gz ZQKJXQNIBWNXMQ-CQSZACIVSA-N -1 0 386.404 3.533 20 5 GHBDRM C[C@](NC(=O)Cc1cc(Cl)cc(Cl)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593040782 980326236 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399.808 3.667 20 5 GHBDRM CCOC(=O)N[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])CC(C)C ZINC001596658148 984704439 /nfs/dbraw/zinc/70/44/39/984704439.db2.gz TXOHJYVTVGTGME-JTQLQIEISA-N -1 0 387.820 3.519 20 5 GHBDRM C[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccc(F)cc1Cl ZINC001599901243 984832623 /nfs/dbraw/zinc/83/26/23/984832623.db2.gz CLJFTOUQUNDKOI-JTQLQIEISA-N -1 0 382.775 3.702 20 5 GHBDRM Cc1c(Br)cc(C(=O)N(C)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001599970430 985996939 /nfs/dbraw/zinc/99/69/39/985996939.db2.gz JMFJZVXZTLFYKQ-UHFFFAOYSA-N -1 0 393.193 3.641 20 5 GHBDRM Cc1c(C(=O)N[C@@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC001599978160 986123953 /nfs/dbraw/zinc/12/39/53/986123953.db2.gz WSSGTSDBRILMLV-QGZVFWFLSA-N -1 0 397.214 3.940 20 5 GHBDRM C[C@H]1COCCN1c1ccc(Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC001594608042 986590326 /nfs/dbraw/zinc/59/03/26/986590326.db2.gz RSXFKNCEFZUWHX-NSHDSACASA-N -1 0 391.811 3.915 20 5 GHBDRM C[C@H]1CSC[C@H]1Nc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001594613827 986623444 /nfs/dbraw/zinc/62/34/44/986623444.db2.gz UNUPGCIFYCCBLB-MEDUHNTESA-N -1 0 386.429 3.687 20 5 GHBDRM C[C@@H]1CSC[C@@H]1Nc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001594613825 986623792 /nfs/dbraw/zinc/62/37/92/986623792.db2.gz UNUPGCIFYCCBLB-BZNIZROVSA-N -1 0 386.429 3.687 20 5 GHBDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1 ZINC001589598858 987420324 /nfs/dbraw/zinc/42/03/24/987420324.db2.gz OYDXTSRBIKIWMB-HNNXBMFYSA-N -1 0 376.796 3.830 20 5 GHBDRM CC(C)(C(=O)[O-])c1ccc(Nc2ncc(Br)cc2[N+](=O)[O-])cc1 ZINC001589641201 987563523 /nfs/dbraw/zinc/56/35/23/987563523.db2.gz MOWCKSLGXQTDHA-UHFFFAOYSA-N -1 0 380.198 3.858 20 5 GHBDRM CCc1cc(C(=O)[O-])c(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])s1 ZINC001597440270 987798473 /nfs/dbraw/zinc/79/84/73/987798473.db2.gz CBFGDRNJSZUCLK-UHFFFAOYSA-N -1 0 386.788 3.891 20 5 GHBDRM CC(C)(C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1(C)C ZINC001589764692 988106318 /nfs/dbraw/zinc/10/63/18/988106318.db2.gz SGIKFZBAKCBVMH-LBPRGKRZSA-N -1 0 398.481 3.518 20 5 GHBDRM CC(C)(C)OC(=O)[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])Cc2ccccc21 ZINC001589866708 988476199 /nfs/dbraw/zinc/47/61/99/988476199.db2.gz PIZOPJOOIHXLGG-INIZCTEOSA-N -1 0 398.415 3.739 20 5 GHBDRM CSc1cccc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c1[N+](=O)[O-] ZINC001599822889 988545480 /nfs/dbraw/zinc/54/54/80/988545480.db2.gz YGQWWMGSUUXGKS-UHFFFAOYSA-N -1 0 381.435 3.847 20 5 GHBDRM C[C@@H](NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001599840329 988815622 /nfs/dbraw/zinc/81/56/22/988815622.db2.gz NEALCINSZDFAKL-MRVPVSSYSA-N -1 0 381.747 3.968 20 5 GHBDRM CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001598078127 990386144 /nfs/dbraw/zinc/38/61/44/990386144.db2.gz XVWGLNVJOKZAKC-UHFFFAOYSA-N -1 0 399.186 3.642 20 5 GHBDRM CC(C)C[C@@H](NC(=O)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC001591173626 991965171 /nfs/dbraw/zinc/96/51/71/991965171.db2.gz JPODXQMNSIFRAW-QGZVFWFLSA-N -1 0 386.404 3.575 20 5 GHBDRM CC(C)C[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001591471780 992586328 /nfs/dbraw/zinc/58/63/28/992586328.db2.gz PYRXRCBGQQUJFM-HEWZJLJBSA-N -1 0 378.425 3.861 20 5 GHBDRM CN(Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)[C@@H](c1ccccc1)C(F)(F)F ZINC001598519868 992666577 /nfs/dbraw/zinc/66/65/77/992666577.db2.gz KWLBASNPZUXWAC-KRWDZBQOSA-N -1 0 398.337 3.794 20 5 GHBDRM COc1ccc(NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001599595089 993739764 /nfs/dbraw/zinc/73/97/64/993739764.db2.gz DHXGNEAIUJPWSA-INIZCTEOSA-N -1 0 387.392 3.577 20 5 GHBDRM C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593159596 993986369 /nfs/dbraw/zinc/98/63/69/993986369.db2.gz JIQBIHAIJFPEIB-WMLDXEAASA-N -1 0 398.459 3.954 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001593667803 996059822 /nfs/dbraw/zinc/05/98/22/996059822.db2.gz VBYHBQLGNZCUEK-JTQLQIEISA-N -1 0 385.401 3.894 20 5 GHBDRM COC(=O)/C=C/c1ccc(Oc2cc(/C=C/C(=O)[O-])ccc2OC)c([N+](=O)[O-])c1 ZINC001598835244 996478430 /nfs/dbraw/zinc/47/84/30/996478430.db2.gz VQWYNKQIDXJCRK-NXZHAISVSA-N -1 0 399.355 3.680 20 5 GHBDRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 ZINC001599489713 996916251 /nfs/dbraw/zinc/91/62/51/996916251.db2.gz CZUYKKZFVIINKH-UHFFFAOYSA-N -1 0 393.355 3.616 20 5 GHBDRM COCc1cc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1 ZINC001599285227 996964269 /nfs/dbraw/zinc/96/42/69/996964269.db2.gz DRPCIKQWNAANJJ-LBPRGKRZSA-N -1 0 387.392 3.631 20 5 GHBDRM COc1cc([C@H]2NC(=O)N(c3ccc(C)cc3)C(C)=C2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599400239 997202235 /nfs/dbraw/zinc/20/22/35/997202235.db2.gz YYAZGPMARNRWEK-GOSISDBHSA-N -1 0 397.387 3.541 20 5 GHBDRM CC1(c2ccc(Cl)cc2)CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001594071730 997913275 /nfs/dbraw/zinc/91/32/75/997913275.db2.gz PAPGYYLBSJHJTR-UHFFFAOYSA-N -1 0 375.812 3.900 20 5 GHBDRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001599546272 997927852 /nfs/dbraw/zinc/92/78/52/997927852.db2.gz VVLCAOXNVCDIHU-XVNBXDOJSA-N -1 0 377.736 3.574 20 5 GHBDRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC001599547731 997952185 /nfs/dbraw/zinc/95/21/85/997952185.db2.gz WYBAOEHFTJDINU-GQCTYLIASA-N -1 0 391.763 3.882 20 5 GHBDRM COc1cc(NCc2ccc(Br)c([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC001599444028 997978534 /nfs/dbraw/zinc/97/85/34/997978534.db2.gz SILLRQJEVPLRDQ-UHFFFAOYSA-N -1 0 381.182 3.676 20 5 GHBDRM C[C@@]12CCN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC001594087701 998020512 /nfs/dbraw/zinc/02/05/12/998020512.db2.gz KTSIABKTKLRZLD-WCQYABFASA-N -1 0 379.627 3.967 20 5 GHBDRM COc1cc(OC)cc([C@@H](C(=O)[O-])N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 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O=[N+]([O-])c1cccc([C@@H]([N-]S(=O)(=O)C2CCCCC2)C(F)(F)F)c1F ZINC000840954728 1027983659 /nfs/dbraw/zinc/98/36/59/1027983659.db2.gz NAJMEBBKDJESNY-CYBMUJFWSA-N -1 0 384.351 3.589 20 5 GHBDRM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CCC(F)CC1 ZINC001213249525 1028069096 /nfs/dbraw/zinc/06/90/96/1028069096.db2.gz ZNXLFAZYNCSWHR-XNWIYYODSA-N -1 0 382.816 3.582 20 5 GHBDRM O=[N+]([O-])c1ncc(-c2nc(-c3cccnc3OC3CCCCC3)no2)cc1[O-] ZINC001213596325 1028287213 /nfs/dbraw/zinc/28/72/13/1028287213.db2.gz XOZFFQGPUADEFA-UHFFFAOYSA-N -1 0 383.364 3.519 20 5 GHBDRM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2c[nH]c3ccccc23)c1 ZINC001213845325 1028407196 /nfs/dbraw/zinc/40/71/96/1028407196.db2.gz SZZSZNBEIUZZQC-UHFFFAOYSA-N -1 0 396.222 3.639 20 5 GHBDRM O=C([O-])C1CCC(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000841505845 1028703845 /nfs/dbraw/zinc/70/38/45/1028703845.db2.gz TUXFVZYBBOJIDM-UHFFFAOYSA-N -1 0 377.275 3.577 20 5 GHBDRM 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C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001298243884 1045748213 /nfs/dbraw/zinc/74/82/13/1045748213.db2.gz ZOBOARVRJWAYTQ-ZETCQYMHSA-N -1 0 395.202 3.975 20 5 GHBDRM CCCCCc1nnc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)s1 ZINC001264232422 1047273233 /nfs/dbraw/zinc/27/32/33/1047273233.db2.gz ZLFWRLWTYGIELL-UHFFFAOYSA-N -1 0 392.437 3.593 20 5 GHBDRM C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001290853344 1049939210 /nfs/dbraw/zinc/93/92/10/1049939210.db2.gz BTIOPIWEVPPUNH-KBPBESRZSA-N -1 0 397.431 3.671 20 5 GHBDRM Cc1ccc([C@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C(F)(F)F)o1 ZINC001309630180 1050879789 /nfs/dbraw/zinc/87/97/89/1050879789.db2.gz VLMVCRGOAPQZPD-AWEZNQCLSA-N -1 0 392.355 3.695 20 5 GHBDRM COc1ccc(-c2ccc(CN[C@@](C)(C(=O)[O-])c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC001353898987 1056112969 /nfs/dbraw/zinc/11/29/69/1056112969.db2.gz FKDSUOJMOBHDAK-OAQYLSRUSA-N -1 0 396.399 3.953 20 5 GHBDRM O=C(NCCCc1ccc(Br)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC001443871257 1059222491 /nfs/dbraw/zinc/22/24/91/1059222491.db2.gz CEFPKCIKASAXHB-UHFFFAOYSA-N -1 0 397.200 3.565 20 5 GHBDRM COCCC[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001448927593 1060299725 /nfs/dbraw/zinc/29/97/25/1060299725.db2.gz YTLUXKLVUGCMMT-OAHLLOKOSA-N -1 0 392.839 3.722 20 5 GHBDRM COc1ccccc1-c1nnc([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2F)s1 ZINC001436382075 1063419332 /nfs/dbraw/zinc/41/93/32/1063419332.db2.gz ZSQFIIBVQBVMLA-UHFFFAOYSA-N -1 0 392.343 3.652 20 5 GHBDRM COCCOc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c(C)c1 ZINC001464310894 1064951044 /nfs/dbraw/zinc/95/10/44/1064951044.db2.gz SCPROEGVPWOUQY-UHFFFAOYSA-N -1 0 380.784 3.540 20 5 GHBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(OCC(F)(F)F)cc1 ZINC001464427451 1065002277 /nfs/dbraw/zinc/00/22/77/1065002277.db2.gz GTYGRVRYYMUEHF-JTQLQIEISA-N -1 0 384.310 3.733 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)S3)c1Cl 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NYDXGLURUGRHPX-UHFFFAOYSA-N -1 0 384.417 3.682 20 5 GHBDRM CC1(C)Oc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2O1 ZINC000145935321 836023531 /nfs/dbraw/zinc/02/35/31/836023531.db2.gz MTAMRPXJUCCOOY-UHFFFAOYSA-N -1 0 384.797 3.556 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000180161144 836424404 /nfs/dbraw/zinc/42/44/04/836424404.db2.gz NEUYMKAFPQBMLW-UHFFFAOYSA-N -1 0 397.412 3.731 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c(C(F)(F)F)c1 ZINC000161586898 836882949 /nfs/dbraw/zinc/88/29/49/836882949.db2.gz KGUPXZNXEQNUET-UHFFFAOYSA-N -1 0 382.266 3.693 20 5 GHBDRM C[C@H](NC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000578588082 837318969 /nfs/dbraw/zinc/31/89/69/837318969.db2.gz CTOUKNHEYSFTQT-KKXDTOCCSA-N -1 0 383.404 3.656 20 5 GHBDRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])cc2)cs1 ZINC000121093954 838399339 /nfs/dbraw/zinc/39/93/39/838399339.db2.gz IDPAEZFRZMASMP-UHFFFAOYSA-N -1 0 393.421 3.967 20 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ZINC000500448348 842033745 /nfs/dbraw/zinc/03/37/45/842033745.db2.gz QAQDUVDSJVGWBQ-AWEZNQCLSA-N -1 0 379.210 3.676 20 5 GHBDRM C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000111657017 842088138 /nfs/dbraw/zinc/08/81/38/842088138.db2.gz UTJXFJCGKRCKRJ-DIFFPNOSSA-N -1 0 376.796 3.556 20 5 GHBDRM Cc1ccc(-n2cc([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cn2)c(C)c1 ZINC000302619167 861309290 /nfs/dbraw/zinc/30/92/90/861309290.db2.gz DXYFRDUNJSPQFI-UHFFFAOYSA-N -1 0 392.462 3.606 20 5 GHBDRM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])c2)n1 ZINC000161068864 842663287 /nfs/dbraw/zinc/66/32/87/842663287.db2.gz JNSZZYPLXYJKLK-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM O=C(NCCc1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000603909447 861376594 /nfs/dbraw/zinc/37/65/94/861376594.db2.gz NWGIKYAKBZJRKH-UHFFFAOYSA-N -1 0 392.411 3.852 20 5 GHBDRM CCC(CC)c1nnc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)s1 ZINC000544621890 843089606 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QLCIRHFQXAYKGR-HNNXBMFYSA-N -1 0 388.367 3.626 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)c1[N+](=O)[O-] ZINC000500776475 844001490 /nfs/dbraw/zinc/00/14/90/844001490.db2.gz DALKXTMXNGOFIM-UHFFFAOYSA-N -1 0 397.884 3.727 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000610875972 844723868 /nfs/dbraw/zinc/72/38/68/844723868.db2.gz FCPRTVROPCHJFB-YUMQZZPRSA-N -1 0 386.248 3.503 20 5 GHBDRM CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000610878341 844726248 /nfs/dbraw/zinc/72/62/48/844726248.db2.gz UEXVZKUYNDCHJJ-UHFFFAOYSA-N -1 0 399.378 3.799 20 5 GHBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000236935140 844732235 /nfs/dbraw/zinc/73/22/35/844732235.db2.gz NWUGXCLZGQXHIS-AWEZNQCLSA-N -1 0 385.420 3.532 20 5 GHBDRM CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000512617708 844776359 /nfs/dbraw/zinc/77/63/59/844776359.db2.gz GLGNQVSHUPMATL-UHFFFAOYSA-N -1 0 380.422 3.583 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)noc1-c1ccccc1F ZINC000433117682 845354042 /nfs/dbraw/zinc/35/40/42/845354042.db2.gz PILDEVZYMGVLKP-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)noc1-c1ccccc1F ZINC000433152388 845516125 /nfs/dbraw/zinc/51/61/25/845516125.db2.gz RCPRNCUNUSJVJK-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263388855 846204781 /nfs/dbraw/zinc/20/47/81/846204781.db2.gz DEKRNGMBKGQWHZ-QGZVFWFLSA-N -1 0 384.432 3.726 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)c(Cl)c1 ZINC000119801855 846292791 /nfs/dbraw/zinc/29/27/91/846292791.db2.gz HXYGULSTFJFHJZ-UHFFFAOYSA-N -1 0 399.831 3.788 20 5 GHBDRM C[C@@H](O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)[O-] ZINC000421810419 846592881 /nfs/dbraw/zinc/59/28/81/846592881.db2.gz XIWWJAZFKRPOCZ-VHSXEESVSA-N -1 0 396.446 3.624 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Br)cc1 ZINC000430052027 846787083 /nfs/dbraw/zinc/78/70/83/846787083.db2.gz NTMFGRPKPLBOKU-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM O=[N+]([O-])c1ccc(Nc2ccccc2)c([N-]S(=O)(=O)c2cncc(F)c2)c1 ZINC000501800238 847200764 /nfs/dbraw/zinc/20/07/64/847200764.db2.gz SNOKHUONDZZOJO-UHFFFAOYSA-N -1 0 388.380 3.673 20 5 GHBDRM O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1cccc([O-])c1[N+](=O)[O-] ZINC000366815911 847838705 /nfs/dbraw/zinc/83/87/05/847838705.db2.gz BSOLPSBWSCPFGJ-KRWDZBQOSA-N -1 0 383.791 3.868 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc3cccc(Cl)c3n2)c([N+](=O)[O-])c1 ZINC000502422932 861991207 /nfs/dbraw/zinc/99/12/07/861991207.db2.gz BXNAGXXHSOUMBN-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM CCCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000504227508 849979778 /nfs/dbraw/zinc/97/97/78/849979778.db2.gz HPCRIXVCOSCKCD-AWEZNQCLSA-N -1 0 385.420 3.570 20 5 GHBDRM Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)[nH]n2)cc1C 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CCOC(=O)c1cc2cc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc2s1 ZINC000436947748 852530772 /nfs/dbraw/zinc/53/07/72/852530772.db2.gz HLELGAYHEYITQQ-UHFFFAOYSA-N -1 0 386.385 3.944 20 5 GHBDRM Cc1cc(Sc2ncccn2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436963733 852535348 /nfs/dbraw/zinc/53/53/48/852535348.db2.gz GQVHIFDEUALERV-UHFFFAOYSA-N -1 0 382.401 3.802 20 5 GHBDRM O=C(Nc1cc(Br)ccc1NC1CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436961345 852550812 /nfs/dbraw/zinc/55/08/12/852550812.db2.gz GYQMCPAYZFLPIZ-UHFFFAOYSA-N -1 0 392.209 3.890 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000436973388 852555782 /nfs/dbraw/zinc/55/57/82/852555782.db2.gz SLANFUHZYSBMEQ-HNNXBMFYSA-N -1 0 386.795 3.807 20 5 GHBDRM C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436975731 852562114 /nfs/dbraw/zinc/56/21/14/852562114.db2.gz MHAJAOMSHAAYJP-VIFPVBQESA-N -1 0 397.200 3.563 20 5 GHBDRM O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436968557 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CCSCc1ccnc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000543639865 859169846 /nfs/dbraw/zinc/16/98/46/859169846.db2.gz BKELNUGAIIGJFO-UHFFFAOYSA-N -1 0 381.479 3.661 20 5 GHBDRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000060441748 859272781 /nfs/dbraw/zinc/27/27/81/859272781.db2.gz NTIJSCWORUDCPZ-UHFFFAOYSA-N -1 0 394.449 3.810 20 5 GHBDRM Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000317111602 859382825 /nfs/dbraw/zinc/38/28/25/859382825.db2.gz DFVHYFZRRCEMCU-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)cc1[N+](=O)[O-] ZINC000042676935 859605994 /nfs/dbraw/zinc/60/59/94/859605994.db2.gz UKALVOHZKYFKJV-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000611526092 859795280 /nfs/dbraw/zinc/79/52/80/859795280.db2.gz CZZHVTFGYMKQHR-INIZCTEOSA-N -1 0 383.404 3.808 20 5 GHBDRM COc1ccc([C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000611553516 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Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c1[N+](=O)[O-] ZINC000480187919 864236544 /nfs/dbraw/zinc/23/65/44/864236544.db2.gz DGSREXFHNZKGKI-UHFFFAOYSA-N -1 0 390.339 3.753 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000734736457 864425792 /nfs/dbraw/zinc/42/57/92/864425792.db2.gz FRDLXOHJNFQKNE-OCCSQVGLSA-N -1 0 382.482 3.561 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000185094523 865183130 /nfs/dbraw/zinc/18/31/30/865183130.db2.gz HXKULSDAAVHFNU-LBPRGKRZSA-N -1 0 387.461 3.656 20 5 GHBDRM CSc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1Cl ZINC000499279522 881872953 /nfs/dbraw/zinc/87/29/53/881872953.db2.gz BCFWDPCKHNUTNK-UHFFFAOYSA-N -1 0 388.854 3.785 20 5 GHBDRM Cc1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000174286477 865673911 /nfs/dbraw/zinc/67/39/11/865673911.db2.gz SYFLTSCPJYVEBK-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM CC(C)(C)CC[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])C(=O)OC(C)(C)C 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FNHYUJBEUPJWHA-MRXNPFEDSA-N -1 0 386.429 3.531 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1cc(F)cc(F)c1 ZINC000462435567 869454146 /nfs/dbraw/zinc/45/41/46/869454146.db2.gz GVILHDKTGARYJW-UHFFFAOYSA-N -1 0 397.186 3.658 20 5 GHBDRM CC(=O)c1cccc(OCCCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000538653789 870266627 /nfs/dbraw/zinc/26/66/27/870266627.db2.gz UHBOFBKYRIWERN-UHFFFAOYSA-N -1 0 392.795 3.954 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc(C)c(C)s2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540204115 870720486 /nfs/dbraw/zinc/72/04/86/870720486.db2.gz CVOCPEAAENJLKD-UHFFFAOYSA-N -1 0 392.462 3.568 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1F ZINC000447009963 870861834 /nfs/dbraw/zinc/86/18/34/870861834.db2.gz DVFYPQHQHLAQPT-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=C([O-])c1cc(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)cc([N+](=O)[O-])c1 ZINC000237978540 882451529 /nfs/dbraw/zinc/45/15/29/882451529.db2.gz JSMYXXVNONKPKP-LJQANCHMSA-N -1 0 380.400 3.975 20 5 GHBDRM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc21 ZINC000195448682 882473260 /nfs/dbraw/zinc/47/32/60/882473260.db2.gz OKIFUEULZZQZKI-UHFFFAOYSA-N -1 0 394.840 3.980 20 5 GHBDRM O=C(Cc1coc(-c2cccs2)n1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000181538887 871157997 /nfs/dbraw/zinc/15/79/97/871157997.db2.gz UXIXWKSDGXLKSH-UHFFFAOYSA-N -1 0 379.781 3.852 20 5 GHBDRM Cc1oc2ncnc([N-]C(=O)c3sc(Br)cc3[N+](=O)[O-])c2c1C ZINC000447315097 871363284 /nfs/dbraw/zinc/36/32/84/871363284.db2.gz PAMAJIFKMVHAHD-UHFFFAOYSA-N -1 0 397.210 3.824 20 5 GHBDRM CSc1c(F)cc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1F ZINC000181751761 871443124 /nfs/dbraw/zinc/44/31/24/871443124.db2.gz GRWAJIDDBXUWMA-UHFFFAOYSA-N -1 0 378.353 3.535 20 5 GHBDRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3O)c2)n1 ZINC000443403646 872084291 /nfs/dbraw/zinc/08/42/91/872084291.db2.gz BPIGPGOJOUXDBL-UHFFFAOYSA-N -1 0 391.430 3.533 20 5 GHBDRM CCCC[C@H](C)N(C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000794194554 882619141 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399.432 3.513 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000768283870 873207191 /nfs/dbraw/zinc/20/71/91/873207191.db2.gz WAKPJVPVNQDHCZ-UHFFFAOYSA-N -1 0 379.394 3.658 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(C3CC3)nn2-c2ccccc2)cs1 ZINC000768862368 873663461 /nfs/dbraw/zinc/66/34/61/873663461.db2.gz KIIIMMGHFCZVGT-UHFFFAOYSA-N -1 0 390.446 3.520 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000776200123 875815088 /nfs/dbraw/zinc/81/50/88/875815088.db2.gz PVDHLLDGUBBLPK-UHFFFAOYSA-N -1 0 394.265 3.622 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2F)c1C ZINC000549995105 876283084 /nfs/dbraw/zinc/28/30/84/876283084.db2.gz VGDFTIMSILGJCR-UHFFFAOYSA-N -1 0 390.396 3.542 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1(Cc2ccccc2)CCOCC1 ZINC000450617648 876692126 /nfs/dbraw/zinc/69/21/26/876692126.db2.gz RUDMKFYVGYPSGG-UHFFFAOYSA-N -1 0 390.823 3.932 20 5 GHBDRM COc1cc(CNc2ccc(C(=O)NC3CCCC3)cc2C)cc([N+](=O)[O-])c1[O-] ZINC000551451323 877228179 /nfs/dbraw/zinc/22/81/79/877228179.db2.gz IAQNNBXYYHYCEF-UHFFFAOYSA-N -1 0 399.447 3.902 20 5 GHBDRM C[C@@H]1[C@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C(=O)OC(C)(C)C ZINC000787218695 877230818 /nfs/dbraw/zinc/23/08/18/877230818.db2.gz JAAYXFUTSCJXLM-MWLCHTKSSA-N -1 0 399.831 3.538 20 5 GHBDRM O=C(N[C@@H](COCc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000610139898 877423729 /nfs/dbraw/zinc/42/37/29/877423729.db2.gz QMVFFHIZHBAYIT-IBGZPJMESA-N -1 0 392.411 3.988 20 5 GHBDRM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])cc2)c1C ZINC000461207312 879347565 /nfs/dbraw/zinc/34/75/65/879347565.db2.gz JHYMLPXIXCNSQD-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM Cc1cccc(CN(Cc2ccccn2)C(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000130507296 879432805 /nfs/dbraw/zinc/43/28/05/879432805.db2.gz OVBNOACAEYRSGT-UHFFFAOYSA-N -1 0 377.400 3.846 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Oc3ccccc3)c2)ccc1[O-] ZINC000069116993 879558439 /nfs/dbraw/zinc/55/84/39/879558439.db2.gz PDDYVKUFATXLMC-UHFFFAOYSA-N -1 0 386.385 3.894 20 5 GHBDRM Cc1nc2cc([N-]S(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])ccc2s1 ZINC000790406427 879684076 /nfs/dbraw/zinc/68/40/76/879684076.db2.gz ULKMLIHUGYWTHK-UHFFFAOYSA-N -1 0 377.447 3.931 20 5 GHBDRM CC(C)(C)OC(=O)NC1(c2noc(-c3cc([O-])cc([N+](=O)[O-])c3)n2)CCCC1 ZINC000776772685 880206680 /nfs/dbraw/zinc/20/66/80/880206680.db2.gz OQEOUWJURRLTGL-UHFFFAOYSA-N -1 0 390.396 3.644 20 5 GHBDRM O=C([N-]c1c2ccccc2oc1C(=O)c1ccco1)c1ccc([N+](=O)[O-])cn1 ZINC000532145018 881235086 /nfs/dbraw/zinc/23/50/86/881235086.db2.gz PBXVNWFWPPJCEF-UHFFFAOYSA-N -1 0 377.312 3.812 20 5 GHBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl ZINC000499155748 881289974 /nfs/dbraw/zinc/28/99/74/881289974.db2.gz DZESRSKRFUCOSS-UHFFFAOYSA-N -1 0 377.205 3.716 20 5 GHBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000263092236 883666784 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MMFPYRAOXMUTAH-CQSZACIVSA-N -1 0 397.214 3.636 20 5 GHBDRM Cc1cc(NC[C@H](NCc2ccccc2)C(F)(F)F)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567113586 896884990 /nfs/dbraw/zinc/88/49/90/896884990.db2.gz FHUXBRNYKFQLMG-INIZCTEOSA-N -1 0 397.353 3.734 20 5 GHBDRM CC(=O)c1ccc([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cc1 ZINC000821116159 897718898 /nfs/dbraw/zinc/71/88/98/897718898.db2.gz KGLGZTAKGSQGHO-UHFFFAOYSA-N -1 0 389.216 3.905 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2nc(Cl)sc2c1 ZINC000821096945 897739247 /nfs/dbraw/zinc/73/92/47/897739247.db2.gz NQRSUYTVRGQGQP-UHFFFAOYSA-N -1 0 399.837 3.667 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc2nc(Cl)sc2c1 ZINC000821097725 897741458 /nfs/dbraw/zinc/74/14/58/897741458.db2.gz WSNOUWHUAZIXGD-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N(Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC001136692736 898935080 /nfs/dbraw/zinc/93/50/80/898935080.db2.gz IKFFCNFZPZQYPC-UHFFFAOYSA-N -1 0 392.367 3.876 20 5 GHBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)n1 ZINC000570573199 899399829 /nfs/dbraw/zinc/39/98/29/899399829.db2.gz MLCDNVKMUUZBSV-ZFWWWQNUSA-N -1 0 377.784 3.592 20 5 GHBDRM CC(C)c1csc([C@H]2CCCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])C2)n1 ZINC000332378805 899619781 /nfs/dbraw/zinc/61/97/81/899619781.db2.gz YKAZDFOGSDCHQX-LBPRGKRZSA-N -1 0 375.450 3.900 20 5 GHBDRM CCCOc1ccc([C@@H](C)Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000575871853 901413066 /nfs/dbraw/zinc/41/30/66/901413066.db2.gz SYDLIGZUYSTYNM-LLVKDONJSA-N -1 0 375.381 3.659 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000158580834 901766709 /nfs/dbraw/zinc/76/67/09/901766709.db2.gz CBTJXZOHGKLKIY-UHFFFAOYSA-N -1 0 391.449 3.689 20 5 GHBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2nccs2)c1 ZINC000158911918 902297432 /nfs/dbraw/zinc/29/74/32/902297432.db2.gz VMOPDLMMXSGFHL-UHFFFAOYSA-N -1 0 391.430 3.533 20 5 GHBDRM 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RZMMYCZXXAPTTQ-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2C)cc([N+](=O)[O-])c1F ZINC000800845015 920523042 /nfs/dbraw/zinc/52/30/42/920523042.db2.gz WNZZIYVSBHJFIP-UHFFFAOYSA-N -1 0 393.318 3.565 20 5 GHBDRM C[C@H](OC(=O)c1cc(F)c([O-])c(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000748480356 923672117 /nfs/dbraw/zinc/67/21/17/923672117.db2.gz ATDCYRPOLKMDHA-QMMMGPOBSA-N -1 0 391.286 3.547 20 5 GHBDRM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000748639543 923768639 /nfs/dbraw/zinc/76/86/39/923768639.db2.gz IVWLNFSWUQEYHR-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM CC(C)CCCCCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000749029301 923985521 /nfs/dbraw/zinc/98/55/21/923985521.db2.gz ONRXVMWAMZUWDC-UHFFFAOYSA-N -1 0 376.862 3.660 20 5 GHBDRM CCC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)sc2C1 ZINC000409663911 924860527 /nfs/dbraw/zinc/86/05/27/924860527.db2.gz HCZYIQSPEKHICA-SECBINFHSA-N -1 0 387.508 3.819 20 5 GHBDRM Cn1cc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000751039452 927997133 /nfs/dbraw/zinc/99/71/33/927997133.db2.gz RZSMWYRWRITQNI-QDJBHUIFSA-N -1 0 382.401 3.720 20 5 GHBDRM Cn1cc(-c2ccc(F)c(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])c2)cn1 ZINC000543942129 928591695 /nfs/dbraw/zinc/59/16/95/928591695.db2.gz VAGWRFBPHXNHNV-UHFFFAOYSA-N -1 0 390.758 3.746 20 5 GHBDRM Cc1ccc(C(=O)C2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)c(C)c1 ZINC000544509091 929242895 /nfs/dbraw/zinc/24/28/95/929242895.db2.gz IRVMFRVXIMFITB-UHFFFAOYSA-N -1 0 382.416 3.652 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)ccc1Cl ZINC000759679916 930450554 /nfs/dbraw/zinc/45/05/54/930450554.db2.gz WKTWZNPENWDIHU-UHFFFAOYSA-N -1 0 396.730 3.790 20 5 GHBDRM COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000546856280 930491113 /nfs/dbraw/zinc/49/11/13/930491113.db2.gz KAYPXCFFSOWNKP-UHFFFAOYSA-N -1 0 386.404 3.937 20 5 GHBDRM 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ZINC000777661754 932737715 /nfs/dbraw/zinc/73/77/15/932737715.db2.gz WYPOANMPVYUXCT-UHFFFAOYSA-N -1 0 375.859 3.685 20 5 GHBDRM COc1ccnc2c([N-]S(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)cccc12 ZINC000560412601 933246631 /nfs/dbraw/zinc/24/66/31/933246631.db2.gz DYESFDQUNOBKGE-UHFFFAOYSA-N -1 0 387.417 3.569 20 5 GHBDRM CSc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1[N+](=O)[O-] ZINC000777770600 933328853 /nfs/dbraw/zinc/32/88/53/933328853.db2.gz BEIQBIVDZHJCHC-UHFFFAOYSA-N -1 0 383.769 3.836 20 5 GHBDRM Cc1ccc(C(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)c(C)c1 ZINC000561628371 934321316 /nfs/dbraw/zinc/32/13/16/934321316.db2.gz ZBKPGZBQPDSVIG-UHFFFAOYSA-N -1 0 382.416 3.652 20 5 GHBDRM CC(C)(C)c1nc(CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cs1 ZINC001137970602 935897348 /nfs/dbraw/zinc/89/73/48/935897348.db2.gz OPCUZWRJPKOULR-UHFFFAOYSA-N -1 0 383.857 3.680 20 5 GHBDRM O=C([O-])[C@H]1C[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc21 ZINC001594804458 953771634 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ZINC001217437999 1030392064 /nfs/dbraw/zinc/39/20/64/1030392064.db2.gz DPSRVHPBIYHTSR-UHFFFAOYSA-N -1 0 385.339 3.702 20 5 GHBDRM O=c1cc(-c2nc(-c3cccc(Cl)c3F)no2)[n-]c2ccc([N+](=O)[O-])cc12 ZINC001217510165 1030452466 /nfs/dbraw/zinc/45/24/66/1030452466.db2.gz WPYYMBNDKIKJIH-UHFFFAOYSA-N -1 0 386.726 3.946 20 5 GHBDRM O=c1cc(-c2nc(-c3cccc4cccnc43)no2)[n-]c2ccc([N+](=O)[O-])cc12 ZINC001217511510 1030452560 /nfs/dbraw/zinc/45/25/60/1030452560.db2.gz BAKIKCZQJINFKJ-UHFFFAOYSA-N -1 0 385.339 3.702 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC001151855257 1031028920 /nfs/dbraw/zinc/02/89/20/1031028920.db2.gz XIZJGLXHYCSLHZ-LPHOPBHVSA-N -1 0 384.432 3.809 20 5 GHBDRM CC[C@](O)(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(Cl)c1 ZINC001152449408 1031247209 /nfs/dbraw/zinc/24/72/09/1031247209.db2.gz ZQZANRRGPRIGCU-MRXNPFEDSA-N -1 0 385.203 3.844 20 5 GHBDRM COc1ccc([C@H](C)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(Br)c1 ZINC001152898219 1031390207 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WWBINPIDTVJJTP-UHFFFAOYSA-N -1 0 398.843 3.728 20 5 GHBDRM C[C@@H](C(=O)Nc1cccc(O)c1Br)c1ccc([N+](=O)[O-])cc1F ZINC001158825773 1034289956 /nfs/dbraw/zinc/28/99/56/1034289956.db2.gz VHPKJJFDTJQTSI-MRVPVSSYSA-N -1 0 383.173 3.944 20 5 GHBDRM CC[C@@H](Oc1c2cc(S(=O)(=O)[O-])ccc2c([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC001231245104 1034482257 /nfs/dbraw/zinc/48/22/57/1034482257.db2.gz LMRKYGLJGRGSBC-OAHLLOKOSA-N -1 0 398.393 3.716 20 5 GHBDRM O=[N+]([O-])c1ccccc1C=C([O-])c1nc(-c2ccc(OC(F)F)cc2)no1 ZINC001248978438 1036260687 /nfs/dbraw/zinc/26/06/87/1036260687.db2.gz KJSLMSNJDDGXOT-UHFFFAOYSA-N -1 0 375.287 3.672 20 5 GHBDRM O=[N+]([O-])c1ccccc1C=C([O-])c1nnc(-c2cccc(Br)c2)o1 ZINC001253189629 1039468279 /nfs/dbraw/zinc/46/82/79/1039468279.db2.gz MSMCAXUBYHOFPG-UHFFFAOYSA-N -1 0 388.177 3.833 20 5 GHBDRM CCC[C@@H](Oc1cc(O)c(OC)c2c1c(=O)c1ccccc1n2C)C(=O)OCC ZINC001234170488 1039905296 /nfs/dbraw/zinc/90/52/96/1039905296.db2.gz JDURXXRWCVBFMZ-MRXNPFEDSA-N -1 0 399.443 3.517 20 5 GHBDRM CC(C)=CCc1c([O-])cc2oc3ccc(O)cc3c(=O)c2c1OC1CN(C)C1 ZINC001234740411 1040265469 /nfs/dbraw/zinc/26/54/69/1040265469.db2.gz KHUATBDTKWGJEF-UHFFFAOYSA-N -1 0 381.428 3.559 20 5 GHBDRM CCC[C@H](CC(=O)OCC)Oc1cc(O)cc2oc3ccc(O)cc3c(=O)c12 ZINC001234744378 1040270697 /nfs/dbraw/zinc/27/06/97/1040270697.db2.gz LOBDSSOIXMSSKY-CQSZACIVSA-N -1 0 386.400 3.858 20 5 GHBDRM CC(C)=CCc1c([O-])cc(O[C@@H](C[N+](=O)[O-])c2cccnc2)c2c(=O)ccoc12 ZINC001234755182 1040283775 /nfs/dbraw/zinc/28/37/75/1040283775.db2.gz IRMZZBWVUHKZFZ-IBGZPJMESA-N -1 0 396.399 3.799 20 5 GHBDRM O=c1c(-c2nnc(CCCc3ccccc3)o2)c[n-]c2ccc([N+](=O)[O-])cc21 ZINC001257752925 1044141952 /nfs/dbraw/zinc/14/19/52/1044141952.db2.gz WWYHHEMSMPSXGD-UHFFFAOYSA-N -1 0 376.372 3.662 20 5 GHBDRM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC001299846447 1046065335 /nfs/dbraw/zinc/06/53/35/1046065335.db2.gz QPIIYSZESOKXFQ-SNVBAGLBSA-N -1 0 391.811 3.734 20 5 GHBDRM CC(C)c1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001329073430 1050711778 /nfs/dbraw/zinc/71/17/78/1050711778.db2.gz PEWRAZUQPFQYEZ-AWEZNQCLSA-N -1 0 390.461 3.717 20 5 GHBDRM Cc1ccc(C2(CNS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)c(C)c1 ZINC001309533896 1050791169 /nfs/dbraw/zinc/79/11/69/1050791169.db2.gz MVKTZQNICOSYFW-UHFFFAOYSA-N -1 0 394.880 3.875 20 5 GHBDRM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H](CF)c1ccc(F)cc1 ZINC001309786327 1050972934 /nfs/dbraw/zinc/97/29/34/1050972934.db2.gz UZXSBFRSGGBXMY-GFCCVEGCSA-N -1 0 394.758 3.516 20 5 GHBDRM O=C(N[C@H](c1ccccc1)c1ccccn1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001440937071 1058660209 /nfs/dbraw/zinc/66/02/09/1058660209.db2.gz ZAUAELCGOQOKSV-QGZVFWFLSA-N -1 0 383.791 3.868 20 5 GHBDRM CC(C)COc1ccccc1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001442079503 1058913893 /nfs/dbraw/zinc/91/38/93/1058913893.db2.gz KCUQQQIHPYWUMB-UHFFFAOYSA-N -1 0 378.812 3.919 20 5 GHBDRM O=C(NCC1(c2ccc3c(c2)OCO3)CCCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC001442239831 1058937420 /nfs/dbraw/zinc/93/74/20/1058937420.db2.gz SQBVQNASBKYHGL-UHFFFAOYSA-N -1 0 398.415 3.661 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC(Cc2cccc(OC(F)(F)F)c2)C1 ZINC001445485875 1059543401 /nfs/dbraw/zinc/54/34/01/1059543401.db2.gz KQJVJRYFDGKDIL-UHFFFAOYSA-N -1 0 396.321 3.514 20 5 GHBDRM O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)c1cccc([N+](=O)[O-])c1[O-] ZINC001452143968 1060905962 /nfs/dbraw/zinc/90/59/62/1060905962.db2.gz HCKAORYKKPYVHW-UHFFFAOYSA-N -1 0 376.781 3.725 20 5 GHBDRM O=C(Nc1ccc(Br)c2ncccc12)c1ccc([N+](=O)[O-])cc1[O-] ZINC001453547726 1061153872 /nfs/dbraw/zinc/15/38/72/1061153872.db2.gz HHVUKBBZXJVJPQ-UHFFFAOYSA-N -1 0 388.177 3.863 20 5 GHBDRM COc1ccccc1[C@H]1CSCCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001455505103 1062190980 /nfs/dbraw/zinc/19/09/80/1062190980.db2.gz PUQHWIYLEZSEKY-MRXNPFEDSA-N -1 0 388.445 3.629 20 5 GHBDRM CC(C)Sc1ccccc1NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001435552834 1062728409 /nfs/dbraw/zinc/72/84/09/1062728409.db2.gz ZFTTZISLAGUVSB-UHFFFAOYSA-N -1 0 394.474 3.751 20 5 GHBDRM O=C(Nc1ccnn1Cc1ccc(Cl)s1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001456640840 1062796015 /nfs/dbraw/zinc/79/60/15/1062796015.db2.gz OEBKUHHEQJADTG-UHFFFAOYSA-N -1 0 378.797 3.512 20 5 GHBDRM CC(C)(C)OC(=O)Nc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC001457234852 1063050348 /nfs/dbraw/zinc/05/03/48/1063050348.db2.gz ZSXMWEVJUIDCOZ-UHFFFAOYSA-N -1 0 387.392 3.577 20 5 GHBDRM CCOc1cccc(N2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)c1[N+](=O)[O-] ZINC001349487732 1063749856 /nfs/dbraw/zinc/74/98/56/1063749856.db2.gz XDOBHIBXOPREGZ-KGLIPLIRSA-N -1 0 392.358 3.576 20 5 GHBDRM O=C(C[C@H]1CCC[C@@H](C(F)(F)F)O1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001466409189 1066138225 /nfs/dbraw/zinc/13/82/25/1066138225.db2.gz YFGFPMYLJZSNDO-KCJUWKMLSA-N -1 0 382.722 3.782 20 5 GHBDRM O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001466925451 1066394228 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391.286 3.628 20 5 GHBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736494611 600443310 /nfs/dbraw/zinc/44/33/10/600443310.db2.gz OZWACBFWBPNCGX-UHFFFAOYSA-N -1 0 376.321 3.567 20 5 GHBDRM O=C([O-])c1cc(OCc2nnc(-c3cccc(Cl)c3)o2)ccc1[N+](=O)[O-] ZINC000740088841 600443774 /nfs/dbraw/zinc/44/37/74/600443774.db2.gz YRWMFWOKXAJHGT-UHFFFAOYSA-N -1 0 375.724 3.575 20 5 GHBDRM O=C([O-])c1cc(OCC(=O)Nc2ccc(SC(F)F)cc2)ccc1[N+](=O)[O-] ZINC000739327794 600445413 /nfs/dbraw/zinc/44/54/13/600445413.db2.gz ACCAXLBVUUCNMP-UHFFFAOYSA-N -1 0 398.343 3.625 20 5 GHBDRM C[C@@H](Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000736703797 600462313 /nfs/dbraw/zinc/46/23/13/600462313.db2.gz YTEFJRDNSZRTCW-GFCCVEGCSA-N -1 0 386.404 3.997 20 5 GHBDRM C[C@H](Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000736703365 600462346 /nfs/dbraw/zinc/46/23/46/600462346.db2.gz RJLIDWOJGLMDOJ-VIFPVBQESA-N -1 0 398.293 3.718 20 5 GHBDRM 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CC(C)c1scnc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414388627 837601082 /nfs/dbraw/zinc/60/10/82/837601082.db2.gz ZKVNBWAPMPKIDT-UHFFFAOYSA-N -1 0 395.384 3.994 20 5 GHBDRM O=C([O-])CC1(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCCCC1 ZINC000414129153 837754949 /nfs/dbraw/zinc/75/49/49/837754949.db2.gz UTJPRGGGMARXPD-UHFFFAOYSA-N -1 0 386.351 3.950 20 5 GHBDRM Cn1c2ccccc2nc1-c1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000187070000 835000149 /nfs/dbraw/zinc/00/01/49/835000149.db2.gz XOXLPTBAIJCGPT-UHFFFAOYSA-N -1 0 389.371 3.501 20 5 GHBDRM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)c2)n1 ZINC000120287611 835060103 /nfs/dbraw/zinc/06/01/03/835060103.db2.gz DNLHYDNYISEMTC-UHFFFAOYSA-N -1 0 379.419 3.729 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O ZINC000511318351 835316882 /nfs/dbraw/zinc/31/68/82/835316882.db2.gz BYZQBRRIQMSNPX-UHFFFAOYSA-N -1 0 377.205 3.716 20 5 GHBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCCc3c([nH]c4c3cccc4F)C2)n1 ZINC000584234430 835791083 /nfs/dbraw/zinc/79/10/83/835791083.db2.gz BOPVIERIMSMXBT-UHFFFAOYSA-N -1 0 384.367 3.570 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2ccc(Cl)cc2n1 ZINC000410331649 835928904 /nfs/dbraw/zinc/92/89/04/835928904.db2.gz BYDLTZWANNFPKU-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM O=C([O-])Cc1cccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000431815297 836224079 /nfs/dbraw/zinc/22/40/79/836224079.db2.gz RGFCZJIYHNDZLG-UHFFFAOYSA-N -1 0 390.370 3.700 20 5 GHBDRM O=C([O-])c1csc(C2CCN(c3ccc([N+](=O)[O-])c4ncccc34)CC2)n1 ZINC000582488711 836285779 /nfs/dbraw/zinc/28/57/79/836285779.db2.gz OGBJQTKZYOVCGB-UHFFFAOYSA-N -1 0 384.417 3.682 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000612529135 836363780 /nfs/dbraw/zinc/36/37/80/836363780.db2.gz VPTHPBQFNPOZNN-UHFFFAOYSA-N -1 0 384.388 3.614 20 5 GHBDRM O=[N+]([O-])c1ccc(OC(F)F)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000103058633 838313688 /nfs/dbraw/zinc/31/36/88/838313688.db2.gz ALEAYDPWWHYIMF-UHFFFAOYSA-N -1 0 396.730 3.790 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000188150972 838556865 /nfs/dbraw/zinc/55/68/65/838556865.db2.gz GAXKASFGPNRQOX-UHFFFAOYSA-N -1 0 395.746 3.771 20 5 GHBDRM CCCCOc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])c([O-])c3)C(=O)O2)cc1 ZINC000748157553 839109316 /nfs/dbraw/zinc/10/93/16/839109316.db2.gz ORYJLCUYGQCPKJ-LFIBNONCSA-N -1 0 382.372 3.824 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)sc1Br ZINC000149455192 839333581 /nfs/dbraw/zinc/33/35/81/839333581.db2.gz HMYANTQWLUMCMU-UHFFFAOYSA-N -1 0 377.241 3.528 20 5 GHBDRM CC(C)c1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)cc1 ZINC000122581031 839744626 /nfs/dbraw/zinc/74/46/26/839744626.db2.gz ZJPGJDYQMQUHFS-LBPRGKRZSA-N -1 0 396.490 3.778 20 5 GHBDRM O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000511527318 839806696 /nfs/dbraw/zinc/80/66/96/839806696.db2.gz UVEYBCZWOQSBAV-UHFFFAOYSA-N -1 0 380.322 3.781 20 5 GHBDRM CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119201591 839892809 /nfs/dbraw/zinc/89/28/09/839892809.db2.gz JWHGFWHUFWWMAI-UHFFFAOYSA-N -1 0 380.404 3.540 20 5 GHBDRM CCN(Cc1cc(Br)ccc1F)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000500058327 841347765 /nfs/dbraw/zinc/34/77/65/841347765.db2.gz XBXLAGWWTKVTNY-UHFFFAOYSA-N -1 0 397.200 3.864 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000108639608 841666853 /nfs/dbraw/zinc/66/68/53/841666853.db2.gz IUNQPDRMIZSNRR-UHFFFAOYSA-N -1 0 398.444 3.595 20 5 GHBDRM CC(C)(C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000548190415 841745420 /nfs/dbraw/zinc/74/54/20/841745420.db2.gz XWGZLWHKTUDFBA-UHFFFAOYSA-N -1 0 379.210 3.979 20 5 GHBDRM Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000184159617 841857802 /nfs/dbraw/zinc/85/78/02/841857802.db2.gz STAYXCDJHMJIGT-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cn1nc(C2CCCCC2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000477371869 842055568 /nfs/dbraw/zinc/05/55/68/842055568.db2.gz HAXVYJCVSOKCKB-UHFFFAOYSA-N -1 0 398.872 3.830 20 5 GHBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(Cl)c1 ZINC000730766985 861266179 /nfs/dbraw/zinc/26/61/79/861266179.db2.gz CTSTYHXEKIOWPQ-UHFFFAOYSA-N -1 0 399.831 3.788 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c(Cl)c1 ZINC000055637863 861274031 /nfs/dbraw/zinc/27/40/31/861274031.db2.gz XMUFXQTXVUSUOQ-UHFFFAOYSA-N -1 0 396.730 3.790 20 5 GHBDRM O=C(COc1ccc(F)cc1Cl)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000544659904 842283582 /nfs/dbraw/zinc/28/35/82/842283582.db2.gz ILYRSKKRKMNRGS-UHFFFAOYSA-N -1 0 375.139 3.764 20 5 GHBDRM Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432502465 842720280 /nfs/dbraw/zinc/72/02/80/842720280.db2.gz SYBAJDVOAVGODH-UHFFFAOYSA-N -1 0 388.380 3.577 20 5 GHBDRM O=C(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000432599480 843254549 /nfs/dbraw/zinc/25/45/49/843254549.db2.gz UORGUABMPHFZDH-AWEZNQCLSA-N -1 0 396.428 3.872 20 5 GHBDRM O=C(Nc1nnc([C@@H]2CCCc3ccccc32)s1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000432599481 843255069 /nfs/dbraw/zinc/25/50/69/843255069.db2.gz UORGUABMPHFZDH-CQSZACIVSA-N -1 0 396.428 3.872 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000182155847 843275108 /nfs/dbraw/zinc/27/51/08/843275108.db2.gz QFZOUPMEJSZVCO-ZDUSSCGKSA-N -1 0 390.823 3.885 20 5 GHBDRM Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181929893 843627051 /nfs/dbraw/zinc/62/70/51/843627051.db2.gz PDEVXGDFNSDFCC-UHFFFAOYSA-N -1 0 383.404 3.534 20 5 GHBDRM O=C(N[C@@H](Cc1ccccc1)c1ncco1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001143418774 844656018 /nfs/dbraw/zinc/65/60/18/844656018.db2.gz JPRPHJYWDYAYET-AWEZNQCLSA-N -1 0 387.779 3.656 20 5 GHBDRM Cc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c1Br ZINC000152133466 844834673 /nfs/dbraw/zinc/83/46/73/844834673.db2.gz NHNXBJSAWHKPOL-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000375646738 844867519 /nfs/dbraw/zinc/86/75/19/844867519.db2.gz JWIVZLKSFAHINC-UHFFFAOYSA-N -1 0 388.807 3.689 20 5 GHBDRM Cc1ccc(-c2ncccc2[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000437655202 844995478 /nfs/dbraw/zinc/99/54/78/844995478.db2.gz NHIWRYFJWDVJQU-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(-c2ccco2)nn1C(C)C ZINC000433159722 845533566 /nfs/dbraw/zinc/53/35/66/845533566.db2.gz FGOKYKSKNBRMLW-UHFFFAOYSA-N -1 0 390.421 3.741 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000119664378 845800416 /nfs/dbraw/zinc/80/04/16/845800416.db2.gz UXKFFWDURIPUMR-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM O=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC001143431402 845865015 /nfs/dbraw/zinc/86/50/15/845865015.db2.gz LZLYKDCLFVHPLO-UHFFFAOYSA-N -1 0 396.374 3.949 20 5 GHBDRM C[C@@H](O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)[O-] ZINC000421810417 846592969 /nfs/dbraw/zinc/59/29/69/846592969.db2.gz XIWWJAZFKRPOCZ-NXEZZACHSA-N -1 0 396.446 3.624 20 5 GHBDRM Cc1nc2ccc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)cc2o1 ZINC000127533669 847049271 /nfs/dbraw/zinc/04/92/71/847049271.db2.gz WECIUUBMIRDPRI-UHFFFAOYSA-N -1 0 381.797 3.807 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)cc1[N+](=O)[O-] ZINC000187739643 847062838 /nfs/dbraw/zinc/06/28/38/847062838.db2.gz RGUWKOHMBGGFMJ-JTQLQIEISA-N -1 0 384.845 3.525 20 5 GHBDRM CO[C@H](C)c1nc(=NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)s[n-]1 ZINC000511131088 847298771 /nfs/dbraw/zinc/29/87/71/847298771.db2.gz LSYROFRJSQIGSL-LLVKDONJSA-N -1 0 399.432 3.572 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000183889693 847493981 /nfs/dbraw/zinc/49/39/81/847493981.db2.gz DMGMSEHBDJIUSX-UHFFFAOYSA-N -1 0 376.221 3.547 20 5 GHBDRM Cc1ccc2nc([N-]S(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])sc2c1 ZINC000479602863 847752033 /nfs/dbraw/zinc/75/20/33/847752033.db2.gz CBZHZLVPDKGWAC-UHFFFAOYSA-N -1 0 377.447 3.931 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N(CCc1ccccc1)Cc1cccnc1 ZINC000183546490 847933242 /nfs/dbraw/zinc/93/32/42/847933242.db2.gz BLRXGQKWDIWGRF-UHFFFAOYSA-N -1 0 377.400 3.581 20 5 GHBDRM CC[C@@H](C)C(=O)Nc1cccc(CN=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000486948044 850272165 /nfs/dbraw/zinc/27/21/65/850272165.db2.gz SUQJWCJGUJQLHQ-CYBMUJFWSA-N -1 0 395.419 3.663 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)c(F)cc1F ZINC000440272848 850993791 /nfs/dbraw/zinc/99/37/91/850993791.db2.gz CZPJGMLNIBJQMK-UHFFFAOYSA-N -1 0 394.302 3.584 20 5 GHBDRM O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505736275 851064636 /nfs/dbraw/zinc/06/46/36/851064636.db2.gz NVSLJTPQZZHFPU-UHFFFAOYSA-N -1 0 384.417 3.763 20 5 GHBDRM COc1ccc(Cl)cc1-c1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n[nH]1 ZINC000162970376 862229152 /nfs/dbraw/zinc/22/91/52/862229152.db2.gz JYNKHSPUXZKQNT-UHFFFAOYSA-N -1 0 388.767 3.605 20 5 GHBDRM CCc1ccc(CC)c(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1 ZINC000488260363 851319987 /nfs/dbraw/zinc/31/99/87/851319987.db2.gz FWSNGTRTGYIWTK-UHFFFAOYSA-N -1 0 382.413 3.668 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1[N+](=O)[O-] ZINC000436195988 851328171 /nfs/dbraw/zinc/32/81/71/851328171.db2.gz HDUVEVRYVYQPLJ-UHFFFAOYSA-N -1 0 394.302 3.562 20 5 GHBDRM O=C(NCc1cc(F)ccc1OC(F)F)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001168046657 862277678 /nfs/dbraw/zinc/27/76/78/862277678.db2.gz QTPTXMJVUFMBEX-UHFFFAOYSA-N -1 0 390.701 3.624 20 5 GHBDRM O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436672519 852172581 /nfs/dbraw/zinc/17/25/81/852172581.db2.gz ZEFGSBOBBBBCGO-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000436701376 852218783 /nfs/dbraw/zinc/21/87/83/852218783.db2.gz DACUDZYMHMTWQN-UHFFFAOYSA-N -1 0 396.403 3.773 20 5 GHBDRM CC(C)c1noc(Cc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cc2)n1 ZINC000436712974 852233889 /nfs/dbraw/zinc/23/38/89/852233889.db2.gz PWNZSJLDXNZUDL-UHFFFAOYSA-N -1 0 382.376 3.650 20 5 GHBDRM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc(F)c([O-])c(F)c1 ZINC000436820161 852359758 /nfs/dbraw/zinc/35/97/58/852359758.db2.gz PPPOTDRPSSLKRP-UHFFFAOYSA-N -1 0 376.237 3.527 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000436822448 852392956 /nfs/dbraw/zinc/39/29/56/852392956.db2.gz OXXNQCJUHQDPMY-UHFFFAOYSA-N -1 0 376.359 3.674 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nn1C1CCCCC1 ZINC000516307240 852406666 /nfs/dbraw/zinc/40/66/66/852406666.db2.gz ZANJQYOLRSFXCB-UHFFFAOYSA-N -1 0 378.454 3.714 20 5 GHBDRM O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436873115 852437322 /nfs/dbraw/zinc/43/73/22/852437322.db2.gz ZBWRDTKTQLRZJP-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM O=C(Nc1nnc(SCc2cccs2)s1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436885121 852456664 /nfs/dbraw/zinc/45/66/64/852456664.db2.gz NCEASJHGLWJIQH-UHFFFAOYSA-N 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CCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)ccc1F ZINC000507582184 853068074 /nfs/dbraw/zinc/06/80/74/853068074.db2.gz LOKAOSHQWNCLSE-UHFFFAOYSA-N -1 0 375.381 3.645 20 5 GHBDRM O=C(Nc1cc(F)c(F)cc1N1CCCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427433335 853104637 /nfs/dbraw/zinc/10/46/37/853104637.db2.gz CYWQABWMHONUEX-UHFFFAOYSA-N -1 0 377.347 3.821 20 5 GHBDRM Cc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1OCC1CCOCC1 ZINC000506482706 853281039 /nfs/dbraw/zinc/28/10/39/853281039.db2.gz SZTKJSPEIPJNSO-UHFFFAOYSA-N -1 0 386.404 3.667 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3Cl)s2)cc1 ZINC000151399365 853389994 /nfs/dbraw/zinc/38/99/94/853389994.db2.gz BICAQEVXZBCSNP-UHFFFAOYSA-N -1 0 396.837 3.568 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1csc(-c2ccccc2)n1 ZINC000586750262 853520076 /nfs/dbraw/zinc/52/00/76/853520076.db2.gz YVJHOMBRRWMMMC-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000586750213 853520440 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COc1cccc(C=C2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])CC2)c1 ZINC000844216457 900614256 /nfs/dbraw/zinc/61/42/56/900614256.db2.gz ZQHQYGRHIKGRMS-UHFFFAOYSA-N -1 0 382.416 3.914 20 5 GHBDRM O=C(NC1(c2ccccc2Br)CCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC001144715094 902696936 /nfs/dbraw/zinc/69/69/36/902696936.db2.gz AZGXABGMYYCXOM-UHFFFAOYSA-N -1 0 391.221 3.872 20 5 GHBDRM C[C@](NC(=O)CCc1ccc(C(F)F)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600874163 903034892 /nfs/dbraw/zinc/03/48/92/903034892.db2.gz IXECXANQPMNELZ-LJQANCHMSA-N -1 0 392.358 3.581 20 5 GHBDRM O=[N+]([O-])c1n[nH]c(-c2nc(-c3cccc4ccoc43)no2)c1Br ZINC001212837292 903508762 /nfs/dbraw/zinc/50/87/62/903508762.db2.gz DLSYCDHXRPFZIG-UHFFFAOYSA-N -1 0 376.126 3.544 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ncsc2C(C)C)cc1[N+](=O)[O-] ZINC000578358516 903763975 /nfs/dbraw/zinc/76/39/75/903763975.db2.gz FTPPJJQISCYLRV-UHFFFAOYSA-N -1 0 375.859 3.937 20 5 GHBDRM O=C(N[C@H]1CCc2ccccc2-n2ccnc21)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001148128123 903994908 /nfs/dbraw/zinc/99/49/08/903994908.db2.gz HRAGAEWFZQXFEF-AWEZNQCLSA-N -1 0 398.806 3.557 20 5 GHBDRM O=C(N[C@@H]1CCc2ccccc2-n2ccnc21)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001148128124 903994928 /nfs/dbraw/zinc/99/49/28/903994928.db2.gz HRAGAEWFZQXFEF-CQSZACIVSA-N -1 0 398.806 3.557 20 5 GHBDRM CC(C)(C)c1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n(-c2cccnc2)n1 ZINC001174503496 907078986 /nfs/dbraw/zinc/07/89/86/907078986.db2.gz CGQUHVMQVWDPQM-UHFFFAOYSA-N -1 0 381.392 3.915 20 5 GHBDRM O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1cc(F)c([O-])c(F)c1 ZINC000773438746 907331075 /nfs/dbraw/zinc/33/10/75/907331075.db2.gz MSQQJKZSTLIJHA-UHFFFAOYSA-N -1 0 388.120 3.698 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000184798497 907659999 /nfs/dbraw/zinc/65/99/99/907659999.db2.gz LNUYURIVAAANRG-SFHVURJKSA-N -1 0 390.823 3.540 20 5 GHBDRM O=C([O-])c1cc(Nc2nc3cc(Br)ccc3o2)cc([N+](=O)[O-])c1 ZINC001176672030 908203033 /nfs/dbraw/zinc/20/30/33/908203033.db2.gz GOIUFTHBZNSCHD-UHFFFAOYSA-N -1 0 378.138 3.940 20 5 GHBDRM CCOP(=O)(OCC)c1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001176679094 908207072 /nfs/dbraw/zinc/20/70/72/908207072.db2.gz CYTHOWDNCYDCQC-UHFFFAOYSA-N -1 0 394.320 3.928 20 5 GHBDRM Nc1ccc(-c2ccc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c(O)c2)cc1O ZINC001176679644 908207082 /nfs/dbraw/zinc/20/70/82/908207082.db2.gz KOCUGQHNGFQYNR-UHFFFAOYSA-N -1 0 381.344 3.697 20 5 GHBDRM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194723777 908917929 /nfs/dbraw/zinc/91/79/29/908917929.db2.gz MUZVMICBJYMKQI-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM CCOc1ccc(CCN(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC001180239939 910041179 /nfs/dbraw/zinc/04/11/79/910041179.db2.gz YOGWZGVEZSGWKJ-UHFFFAOYSA-N -1 0 378.812 3.667 20 5 GHBDRM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])c2ccccc21 ZINC000773844339 910041439 /nfs/dbraw/zinc/04/14/39/910041439.db2.gz CDZPVFNLWYXFQU-UHFFFAOYSA-N -1 0 399.403 3.702 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c(C)cc1C ZINC000795360556 910048023 /nfs/dbraw/zinc/04/80/23/910048023.db2.gz CAHPLARXVIGGQS-UHFFFAOYSA-N -1 0 388.804 3.814 20 5 GHBDRM O=[N+]([O-])c1[n-]cnc1-c1nc(-c2cc(C(F)(F)F)cc(Cl)c2F)no1 ZINC001212892934 911379173 /nfs/dbraw/zinc/37/91/73/911379173.db2.gz DLCNMNCYKXWYHO-UHFFFAOYSA-N -1 0 377.641 3.846 20 5 GHBDRM Nc1c2c(=O)nccc-2[n-]n1C(=O)CCc1c2ccccc2cc2ccccc21 ZINC001182416370 911628363 /nfs/dbraw/zinc/62/83/63/911628363.db2.gz ZXRKBOIVOHSSEB-UHFFFAOYSA-N -1 0 382.423 3.838 20 5 GHBDRM Cc1cccc([C@@H]2CCCCN2S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C ZINC001187412300 915229522 /nfs/dbraw/zinc/22/95/22/915229522.db2.gz RBIIEKUZOGXPFT-KRWDZBQOSA-N -1 0 390.461 3.833 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC12CCC(CC1)C2 ZINC001188789639 916205911 /nfs/dbraw/zinc/20/59/11/916205911.db2.gz VDPBTUFQZCJUGU-UHFFFAOYSA-N -1 0 379.265 3.760 20 5 GHBDRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000775297810 916863881 /nfs/dbraw/zinc/86/38/81/916863881.db2.gz XEEPDPUYNVXTII-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM CCOc1cccc2cc([C@H](C)NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)oc21 ZINC000409960207 925189597 /nfs/dbraw/zinc/18/95/97/925189597.db2.gz WLQBTPRJENZZLQ-NSHDSACASA-N -1 0 398.371 3.929 20 5 GHBDRM CC(C)OCc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000751272858 928106275 /nfs/dbraw/zinc/10/62/75/928106275.db2.gz ZRVKNLKYFIBKTC-UHFFFAOYSA-N -1 0 384.841 3.974 20 5 GHBDRM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21 ZINC000751279312 928110839 /nfs/dbraw/zinc/11/08/39/928110839.db2.gz LEIBPTYNXJVZRE-UHFFFAOYSA-N -1 0 394.840 3.980 20 5 GHBDRM CCCc1nc(=NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])s[n-]1 ZINC000466944786 928529334 /nfs/dbraw/zinc/52/93/34/928529334.db2.gz YGDOLHGCNZJVSB-UHFFFAOYSA-N -1 0 398.444 3.652 20 5 GHBDRM Cc1cc2cc([N-]S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)ccc2[nH]1 ZINC000753020564 929160611 /nfs/dbraw/zinc/16/06/11/929160611.db2.gz SMDGTUCIJWKYAA-UHFFFAOYSA-N -1 0 383.788 3.978 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000753066619 929188088 /nfs/dbraw/zinc/18/80/88/929188088.db2.gz TWETUNBECYJCQN-UHFFFAOYSA-N -1 0 392.824 3.748 20 5 GHBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1Br ZINC000757920489 929855056 /nfs/dbraw/zinc/85/50/56/929855056.db2.gz JGOBZQFHBYYYBM-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469564371 929992840 /nfs/dbraw/zinc/99/28/40/929992840.db2.gz XSRSTOKLYJAFLW-SNVBAGLBSA-N -1 0 384.310 3.517 20 5 GHBDRM O=[N+]([O-])c1ccc2[nH]nc([N-]S(=O)(=O)C=Cc3ccc(Cl)cc3)c2c1 ZINC000759149552 930290301 /nfs/dbraw/zinc/29/03/01/930290301.db2.gz YULYSERSIKYGFB-FPLPWBNLSA-N -1 0 378.797 3.537 20 5 GHBDRM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000470386458 930576054 /nfs/dbraw/zinc/57/60/54/930576054.db2.gz INKNHZNIAHYLCO-JTQLQIEISA-N -1 0 380.784 3.620 20 5 GHBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(CCC)[n-]s1 ZINC000547380094 930970449 /nfs/dbraw/zinc/97/04/49/930970449.db2.gz MGANCTVSTHSEPC-UHFFFAOYSA-N -1 0 380.495 3.965 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C2CC2)c1C ZINC000558048273 931814703 /nfs/dbraw/zinc/81/47/03/931814703.db2.gz ZNOXSXPLGKXLAO-UHFFFAOYSA-N -1 0 392.481 3.742 20 5 GHBDRM COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c(Br)c1 ZINC001137820729 935808249 /nfs/dbraw/zinc/80/82/49/935808249.db2.gz ONOAKVMOLRNFNZ-SECBINFHSA-N -1 0 395.209 3.563 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccn(-c2cc(F)cc(F)c2)n1 ZINC001137826852 935809945 /nfs/dbraw/zinc/80/99/45/935809945.db2.gz RSUQYBGBXBNSDP-UHFFFAOYSA-N -1 0 394.721 3.670 20 5 GHBDRM Cc1ccc(Sc2ccc(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)cc2[N+](=O)[O-])cc1 ZINC001594377679 958606859 /nfs/dbraw/zinc/60/68/59/958606859.db2.gz IUOYKDUKFVOUBK-HDJSIYSDSA-N -1 0 386.429 3.647 20 5 GHBDRM Cc1cccc([C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C(=O)[O-])c1 ZINC001594400012 958844763 /nfs/dbraw/zinc/84/47/63/958844763.db2.gz WKQLCQKEHIYMRQ-GOSISDBHSA-N -1 0 391.383 3.521 20 5 GHBDRM O=C([O-])[C@H]1C[C@H](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])c2ccccc21 ZINC001605687516 974103031 /nfs/dbraw/zinc/10/30/31/974103031.db2.gz XILFITWXQFYMKV-HOCLYGCPSA-N -1 0 388.807 3.610 20 5 GHBDRM CC(C)Oc1c(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cccc1C(=O)[O-] ZINC001591751744 975808986 /nfs/dbraw/zinc/80/89/86/975808986.db2.gz CGVBRFVYRNVUIV-UHFFFAOYSA-N -1 0 398.375 3.742 20 5 GHBDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001591767351 975879717 /nfs/dbraw/zinc/87/97/17/975879717.db2.gz MCSSDUXMSYAHHT-UHFFFAOYSA-N -1 0 385.376 3.628 20 5 GHBDRM CC(C)Oc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC001591781382 975953966 /nfs/dbraw/zinc/95/39/66/975953966.db2.gz YUOLPGOYIUOXIU-UHFFFAOYSA-N -1 0 387.392 3.521 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001595211550 979993043 /nfs/dbraw/zinc/99/30/43/979993043.db2.gz IBHSQGGUHIJFAI-HZPDHXFCSA-N -1 0 376.453 3.513 20 5 GHBDRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595354869 980696698 /nfs/dbraw/zinc/69/66/98/980696698.db2.gz HBZCRKFVNZRRJB-WHCBVINPSA-N -1 0 378.425 3.914 20 5 GHBDRM CCC1=C(C(=O)[O-])[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1Cc1ccccc1 ZINC001595398543 980970119 /nfs/dbraw/zinc/97/01/19/980970119.db2.gz HMDAFGZADOMJCA-GOSISDBHSA-N -1 0 381.388 3.610 20 5 GHBDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001594792743 981862371 /nfs/dbraw/zinc/86/23/71/981862371.db2.gz PTWMFXDTOGWDTE-INIZCTEOSA-N -1 0 388.342 3.719 20 5 GHBDRM C=COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])cc1 ZINC001588913480 984555751 /nfs/dbraw/zinc/55/57/51/984555751.db2.gz DUNZKRMQHGTPPB-UHFFFAOYSA-N -1 0 388.401 3.936 20 5 GHBDRM C[C@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-n2cccn2)c(F)c1 ZINC001599904172 984901683 /nfs/dbraw/zinc/90/16/83/984901683.db2.gz JRCBDPVRANRSKT-NSHDSACASA-N -1 0 399.334 3.536 20 5 GHBDRM Cc1[nH]c2ccccc2c1SCCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599967218 985927468 /nfs/dbraw/zinc/92/74/68/985927468.db2.gz YFYNGSXGGPZCJT-UHFFFAOYSA-N -1 0 399.428 3.605 20 5 GHBDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC001594570352 986391001 /nfs/dbraw/zinc/39/10/01/986391001.db2.gz UOVCIRWHLWZTLS-LBPRGKRZSA-N -1 0 375.812 3.662 20 5 GHBDRM C[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC001589437336 986755468 /nfs/dbraw/zinc/75/54/68/986755468.db2.gz BPCGYQNBFBAPBE-CYBMUJFWSA-N -1 0 394.383 3.954 20 5 GHBDRM CCOc1ccc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c(C(=O)[O-])c1F ZINC001597123507 986825651 /nfs/dbraw/zinc/82/56/51/986825651.db2.gz STUCMFYEIOSKTA-UHFFFAOYSA-N -1 0 394.380 3.805 20 5 GHBDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 ZINC001589461158 986909815 /nfs/dbraw/zinc/90/98/15/986909815.db2.gz AWULQOWLNGHQLD-ZUZCIYMTSA-N -1 0 396.321 3.805 20 5 GHBDRM CCOc1cccc(Cl)c1CN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001597155615 986952571 /nfs/dbraw/zinc/95/25/71/986952571.db2.gz PWRBRQDVMMHTEB-SFHVURJKSA-N -1 0 378.812 3.737 20 5 GHBDRM CCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001597180159 987043286 /nfs/dbraw/zinc/04/32/86/987043286.db2.gz VZABBGVTDBDNOX-UHFFFAOYSA-N -1 0 390.417 3.813 20 5 GHBDRM CCC(=O)N1CCc2ccc(Nc3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])cc21 ZINC001594706242 987154299 /nfs/dbraw/zinc/15/42/99/987154299.db2.gz XZPVTCTTWOKDCA-YWEYNIOJSA-N -1 0 381.388 3.735 20 5 GHBDRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001589616993 987487610 /nfs/dbraw/zinc/48/76/10/987487610.db2.gz REWLOFPDPHHJKY-UHFFFAOYSA-N -1 0 388.445 3.579 20 5 GHBDRM CC(C)(C(=O)[O-])c1cccc(OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC001589650285 987597419 /nfs/dbraw/zinc/59/74/19/987597419.db2.gz IQTQMYZBESIYGP-UHFFFAOYSA-N -1 0 398.415 3.776 20 5 GHBDRM CCc1c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cnn1CCC(C)C ZINC001597411442 987699557 /nfs/dbraw/zinc/69/95/57/987699557.db2.gz AQNBMUMQGRLARO-UHFFFAOYSA-N -1 0 388.424 3.659 20 5 GHBDRM CCc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2Br)cc1[N+](=O)[O-] ZINC001597503285 988070522 /nfs/dbraw/zinc/07/05/22/988070522.db2.gz OKLAHULTXTYDAA-UHFFFAOYSA-N -1 0 393.193 3.870 20 5 GHBDRM CSc1ccc(C(=O)N2c3ccccc3C[C@H](C)[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001599809674 988311783 /nfs/dbraw/zinc/31/17/83/988311783.db2.gz QFFJCJMQVQSSHV-APPDUMDISA-N -1 0 386.429 3.609 20 5 GHBDRM CSc1cccc(C(=O)Nc2nc(C(C)C)c(C(=O)[O-])s2)c1[N+](=O)[O-] ZINC001599822725 988543247 /nfs/dbraw/zinc/54/32/47/988543247.db2.gz UYHTUINKQGXMGP-UHFFFAOYSA-N -1 0 381.435 3.847 20 5 GHBDRM CC(C)(C)c1ccc(CC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC001590480066 990059794 /nfs/dbraw/zinc/05/97/94/990059794.db2.gz OBRMZOZUEYRLDF-OAQYLSRUSA-N -1 0 384.432 3.551 20 5 GHBDRM COc1ccccc1C[C@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)[O-] ZINC001599707274 991312160 /nfs/dbraw/zinc/31/21/60/991312160.db2.gz KMDOOCUEFLLTIT-GFCCVEGCSA-N -1 0 398.337 3.978 20 5 GHBDRM CC(C)CCc1ccc(S(=O)(=O)Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001591269515 992185718 /nfs/dbraw/zinc/18/57/18/992185718.db2.gz DOUNZGFEUHBTBR-UHFFFAOYSA-N -1 0 393.417 3.649 20 5 GHBDRM C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593115098 993798171 /nfs/dbraw/zinc/79/81/71/993798171.db2.gz KDULYRJILCOYKV-BXUZGUMPSA-N -1 0 391.811 3.702 20 5 GHBDRM C[C@](NC(=O)c1coc2ccc(Cl)cc21)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593185475 994097904 /nfs/dbraw/zinc/09/79/04/994097904.db2.gz YQCLDCKQIKXWHI-GOSISDBHSA-N -1 0 388.763 3.724 20 5 GHBDRM COc1ccc([N+](=O)[O-])c(OCc2cc(Br)ccc2C(=O)[O-])c1 ZINC001599622083 994097951 /nfs/dbraw/zinc/09/79/51/994097951.db2.gz PTZWHVZYGWTHBZ-UHFFFAOYSA-N -1 0 382.166 3.643 20 5 GHBDRM CN=[S@@](C)(=O)c1cccc(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001598632560 994194346 /nfs/dbraw/zinc/19/43/46/994194346.db2.gz HFMNMKCVNFUPDK-TTZARTBGSA-N -1 0 375.406 3.523 20 5 GHBDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001599644539 994406773 /nfs/dbraw/zinc/40/67/73/994406773.db2.gz CKSVTAPHMKSUGM-UHFFFAOYSA-N -1 0 392.795 3.551 20 5 GHBDRM C[C@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC001593552709 995631724 /nfs/dbraw/zinc/63/17/24/995631724.db2.gz GEIKRRCDBWNBNI-VIFPVBQESA-N -1 0 381.287 3.812 20 5 GHBDRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001593612283 995813867 /nfs/dbraw/zinc/81/38/67/995813867.db2.gz NXHHOHNVDLZDIM-GFCCVEGCSA-N -1 0 387.388 3.963 20 5 GHBDRM C[C@@H](c1cc(F)ccc1F)N(C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593688085 996129634 /nfs/dbraw/zinc/12/96/34/996129634.db2.gz ZMSMKHWGFPGUJG-NSHDSACASA-N -1 0 380.347 3.529 20 5 GHBDRM COc1ccc([C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)[O-])cc1 ZINC001599530713 997646385 /nfs/dbraw/zinc/64/63/85/997646385.db2.gz FQVSVHTUVVKSPS-LJQANCHMSA-N -1 0 382.372 3.779 20 5 GHBDRM COc1c(C)cnc(CN(C)c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])c1C ZINC001599334495 997809212 /nfs/dbraw/zinc/80/92/12/997809212.db2.gz ZQJBWADAJKBKKM-UHFFFAOYSA-N -1 0 379.800 3.603 20 5 GHBDRM CC1(c2cccc(CNc3c(Cl)cc([N+](=O)[O-])cc3C(=O)[O-])c2)OCCO1 ZINC001594074196 997937762 /nfs/dbraw/zinc/93/77/62/997937762.db2.gz RNJQDFLRYDBLGK-UHFFFAOYSA-N -1 0 392.795 3.778 20 5 GHBDRM CC1=C(C(=O)[O-])[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)NC(=O)N1CC1CC1 ZINC001594095427 998066943 /nfs/dbraw/zinc/06/69/43/998066943.db2.gz OYBOKZSCCBOSBO-GOSISDBHSA-N -1 0 397.387 3.690 20 5 GHBDRM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001598955902 998239265 /nfs/dbraw/zinc/23/92/65/998239265.db2.gz TYMUSXVXORWCNB-VIFPVBQESA-N -1 0 378.768 3.967 20 5 GHBDRM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C1 ZINC001594219384 998842736 /nfs/dbraw/zinc/84/27/36/998842736.db2.gz IHVIRHAPVXBVHQ-FRRDWIJNSA-N -1 0 380.466 3.668 20 5 GHBDRM CO[C@@H](c1ccccc1Cl)[C@H](C)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001599063011 999279493 /nfs/dbraw/zinc/27/94/93/999279493.db2.gz GKMMNZGNUYWLNI-ZUZCIYMTSA-N -1 0 379.800 3.838 20 5 GHBDRM C[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C[C@H]1C(=O)OC(C)(C)C ZINC001594431359 999605100 /nfs/dbraw/zinc/60/51/00/999605100.db2.gz ASAQERMZOGIPEU-GXFFZTMASA-N -1 0 398.843 3.751 20 5 GHBDRM CCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1Br ZINC001154941441 1032349952 /nfs/dbraw/zinc/34/99/52/1032349952.db2.gz BVYTVVLASLNLAS-UHFFFAOYSA-N -1 0 381.182 3.714 20 5 GHBDRM Cc1ccc2nc(=O)[n-]c(OC3CCN(c4ccccc4[N+](=O)[O-])CC3)c2c1 ZINC001227348192 1032384744 /nfs/dbraw/zinc/38/47/44/1032384744.db2.gz WXTJVVVAPDKFTK-UHFFFAOYSA-N -1 0 380.404 3.600 20 5 GHBDRM C[C@H](O)CCCC(=O)Oc1ccc2c(c1)oc1c2c(=O)oc2cc([O-])ccc12 ZINC001227516265 1032448875 /nfs/dbraw/zinc/44/88/75/1032448875.db2.gz AYBKFVGTDYEEPO-NSHDSACASA-N -1 0 382.368 3.855 20 5 GHBDRM COc1ccc([C@@H](Oc2nc(SC)[n-]c(=O)c2[N+](=O)[O-])c2ccccc2)cc1 ZINC001227627499 1032491378 /nfs/dbraw/zinc/49/13/78/1032491378.db2.gz GRSPVPPSPJRBKY-INIZCTEOSA-N -1 0 399.428 3.989 20 5 GHBDRM COc1ccccc1[C@H](Oc1[n-]c(=O)nc2cc([N+](=O)[O-])ccc21)C(F)(F)F ZINC001228241429 1032857494 /nfs/dbraw/zinc/85/74/94/1032857494.db2.gz BBCYXGGXTMTJGA-AWEZNQCLSA-N -1 0 395.293 3.935 20 5 GHBDRM O=c1[n-]c(C2CC2)nc(O[C@H]2CC=C[C@@H]2COCc2ccccc2)c1[N+](=O)[O-] ZINC001228603978 1033002234 /nfs/dbraw/zinc/00/22/34/1033002234.db2.gz NUSBIWPRCNRNCJ-CVEARBPZSA-N -1 0 383.404 3.508 20 5 GHBDRM COc1ccccc1[C@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])C(F)(F)F ZINC001228610166 1033006212 /nfs/dbraw/zinc/00/62/12/1033006212.db2.gz QEXBRZJUFQEQFL-LBPRGKRZSA-N -1 0 385.298 3.659 20 5 GHBDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CCCc3c(Cl)ccnc32)cc1[O-] ZINC001228814206 1033114552 /nfs/dbraw/zinc/11/45/52/1033114552.db2.gz KEPSCCXMTZZXAW-AWEZNQCLSA-N -1 0 378.768 3.592 20 5 GHBDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CC[C@H](OCc3ccccc3)C2)cc1[O-] ZINC001228813843 1033114740 /nfs/dbraw/zinc/11/47/40/1033114740.db2.gz GXMMJJQXFKGDLE-LSDHHAIUSA-N -1 0 387.388 3.604 20 5 GHBDRM C[C@H](CCC(C)(C)C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000755640163 1023322147 /nfs/dbraw/zinc/32/21/47/1023322147.db2.gz WSKCKUGQMFSFAM-SNVBAGLBSA-N -1 0 376.862 3.516 20 5 GHBDRM CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c2ccccc21 ZINC001164406936 1026507570 /nfs/dbraw/zinc/50/75/70/1026507570.db2.gz ZTPQBVNFDCZJNQ-DLBZAZTESA-N -1 0 398.415 3.601 20 5 GHBDRM CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC001139851305 1026668398 /nfs/dbraw/zinc/66/83/98/1026668398.db2.gz NROHXUSMKAODHE-UHFFFAOYSA-N -1 0 386.404 3.827 20 5 GHBDRM O=[N+]([O-])c1cc(Nc2c(F)cc(F)cc2I)ccc1[O-] ZINC001210397658 1027488825 /nfs/dbraw/zinc/48/88/25/1027488825.db2.gz BDRAVBFXDVKMIV-UHFFFAOYSA-N -1 0 392.099 3.927 20 5 GHBDRM O=[N+]([O-])c1cc(Nc2ccc(I)c(F)c2F)ccc1[O-] ZINC001210398771 1027490217 /nfs/dbraw/zinc/49/02/17/1027490217.db2.gz KZZMZZFLQHYJQK-UHFFFAOYSA-N -1 0 392.099 3.927 20 5 GHBDRM Cc1ncsc1-c1ccc(-c2noc(-c3cnc([N+](=O)[O-])c([O-])c3)n2)cc1 ZINC001213595967 1028286227 /nfs/dbraw/zinc/28/62/27/1028286227.db2.gz FWGCYHJXGLITAT-UHFFFAOYSA-N -1 0 381.373 3.844 20 5 GHBDRM CC1(C)CCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC001213873346 1028423074 /nfs/dbraw/zinc/42/30/74/1028423074.db2.gz CYZILTPGAMTKEM-INIZCTEOSA-N -1 0 390.461 3.505 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C2CC(Cl)(Cl)C2)c1Cl ZINC001213881625 1028426890 /nfs/dbraw/zinc/42/68/90/1028426890.db2.gz TZLKVTKIKCZQLC-UHFFFAOYSA-N -1 0 394.063 3.516 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000841501426 1028699376 /nfs/dbraw/zinc/69/93/76/1028699376.db2.gz BJNYPRXCAXYNSR-UHFFFAOYSA-N -1 0 383.404 3.844 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])c(-c2nc(-c3ncccc3OCc3ccccc3)no2)c1 ZINC001215379810 1029181717 /nfs/dbraw/zinc/18/17/17/1029181717.db2.gz ALGUEMSWNMFOCI-UHFFFAOYSA-N -1 0 390.355 3.991 20 5 GHBDRM COc1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3[O-])n2)c(Cl)c1OC ZINC001215379944 1029181979 /nfs/dbraw/zinc/18/19/79/1029181979.db2.gz DJNWRTVRUULLPH-UHFFFAOYSA-N -1 0 377.740 3.688 20 5 GHBDRM COc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3[O-])n2)c(OC(F)(F)F)c1 ZINC001216700875 1029734751 /nfs/dbraw/zinc/73/47/51/1029734751.db2.gz ROPFMMHFKIDCHM-UHFFFAOYSA-N -1 0 397.265 3.925 20 5 GHBDRM Cc1cc(-c2noc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])n2)c(F)cc1F ZINC001216711880 1029900506 /nfs/dbraw/zinc/90/05/06/1029900506.db2.gz RMCPOUBWWFLIPS-UHFFFAOYSA-N -1 0 378.247 3.512 20 5 GHBDRM O=[N+]([O-])c1cc(-c2nc(-c3ccc(Cl)cc3F)no2)c([O-])c([N+](=O)[O-])c1 ZINC001216712042 1029900721 /nfs/dbraw/zinc/90/07/21/1029900721.db2.gz ZXVPZFHYLSRHPC-UHFFFAOYSA-N -1 0 380.675 3.718 20 5 GHBDRM COc1cc(-c2nc(-c3ccc(Cl)c(OC)c3F)no2)cc([N+](=O)[O-])c1[O-] ZINC001216837244 1029955442 /nfs/dbraw/zinc/95/54/42/1029955442.db2.gz SMWHGWLSTWJXIH-UHFFFAOYSA-N -1 0 395.730 3.827 20 5 GHBDRM Cc1cc([O-])c(-c2nc(-c3cccc(-c4ccccn4)n3)no2)cc1[N+](=O)[O-] ZINC001216945857 1030019057 /nfs/dbraw/zinc/01/90/57/1030019057.db2.gz BTQWHORQHSYMAK-UHFFFAOYSA-N -1 0 375.344 3.783 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC001149615368 1030244364 /nfs/dbraw/zinc/24/43/64/1030244364.db2.gz UVPORAUYNYBQTH-QGZVFWFLSA-N -1 0 398.440 3.738 20 5 GHBDRM O=c1c(-c2nc(-c3ccc4ncsc4c3)no2)c[n-]c2ccc([N+](=O)[O-])cc21 ZINC001217439384 1030393328 /nfs/dbraw/zinc/39/33/28/1030393328.db2.gz YGNNUPGNDNCQRZ-UHFFFAOYSA-N -1 0 391.368 3.763 20 5 GHBDRM O=c1c(-c2nc(-c3cc(F)c(F)cc3F)no2)c[n-]c2ccc([N+](=O)[O-])cc21 ZINC001217439008 1030393472 /nfs/dbraw/zinc/39/34/72/1030393472.db2.gz SBCFEULFHIMRKF-UHFFFAOYSA-N -1 0 388.261 3.571 20 5 GHBDRM Cc1ccc(-c2nc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])cs2)n1C ZINC001152449206 1031246296 /nfs/dbraw/zinc/24/62/96/1031246296.db2.gz RDBIZISCYMTUBX-UHFFFAOYSA-N -1 0 392.824 3.977 20 5 GHBDRM CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@H]2Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225622325 1031514827 /nfs/dbraw/zinc/51/48/27/1031514827.db2.gz HCNRRUDKVMXZLM-DNVCBOLYSA-N -1 0 378.425 3.859 20 5 GHBDRM COC(=O)[C@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1ccccc1F ZINC001233497898 1039391457 /nfs/dbraw/zinc/39/14/57/1039391457.db2.gz JDCZRAJZWHSEJW-CQSZACIVSA-N -1 0 379.731 3.557 20 5 GHBDRM C[C@@H]1C[C@@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CN1C(=O)OC(C)(C)C ZINC001233497845 1039392110 /nfs/dbraw/zinc/39/21/10/1039392110.db2.gz IOGVDQCPLNASAV-NXEZZACHSA-N -1 0 396.831 3.901 20 5 GHBDRM O=c1c(-c2nnc(Cc3cccc(Cl)c3)o2)c[n-]c2ccc([N+](=O)[O-])cc12 ZINC001254425225 1040223618 /nfs/dbraw/zinc/22/36/18/1040223618.db2.gz RFRWIDAIKSPFAV-UHFFFAOYSA-N -1 0 382.763 3.731 20 5 GHBDRM O=c1c2cc(O)ccc2oc2cc(O)cc(OC3CN(Cc4ccccc4)C3)c12 ZINC001234745631 1040271131 /nfs/dbraw/zinc/27/11/31/1040271131.db2.gz VUECTOUZIJUDMV-UHFFFAOYSA-N -1 0 389.407 3.621 20 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ZINC001293271842 1044087902 /nfs/dbraw/zinc/08/79/02/1044087902.db2.gz AOBSGUDBBYBTTO-UHFFFAOYSA-N -1 0 386.404 3.560 20 5 GHBDRM CC[C@H]1CCCN(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])CC1 ZINC001293339364 1044122736 /nfs/dbraw/zinc/12/27/36/1044122736.db2.gz KQVUIKVENKLVRT-LBPRGKRZSA-N -1 0 392.843 3.792 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCCCCc1ccc(F)cc1 ZINC001309419954 1050703722 /nfs/dbraw/zinc/70/37/22/1050703722.db2.gz HLOMIIHCQFMEDT-UHFFFAOYSA-N -1 0 384.404 3.564 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])c(C2CC2)cc1Cl ZINC001329100768 1050719134 /nfs/dbraw/zinc/71/91/34/1050719134.db2.gz XJMFKDBGMWGUMA-UHFFFAOYSA-N -1 0 388.854 3.997 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001309810030 1050983999 /nfs/dbraw/zinc/98/39/99/1050983999.db2.gz VKHFBRZSTLMUOP-PTOFAABTSA-N -1 0 379.265 3.759 20 5 GHBDRM O=C([O-])[C@@H](Cc1ccccc1Cl)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001322277497 1056603987 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MIPZTKCJEXHDEJ-UHFFFAOYSA-N -1 0 384.413 3.968 20 5 GHBDRM O=C(Nc1cc(Br)ccc1O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001447279715 1059943847 /nfs/dbraw/zinc/94/38/47/1059943847.db2.gz UYBAVKUWAAFWKZ-UHFFFAOYSA-N -1 0 387.573 3.674 20 5 GHBDRM O=C(NC[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC001449339499 1060387742 /nfs/dbraw/zinc/38/77/42/1060387742.db2.gz BTQDILCPNHEMII-QGZVFWFLSA-N -1 0 390.823 3.852 20 5 GHBDRM CON(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCCOc2ccccc21 ZINC001546023513 1060601421 /nfs/dbraw/zinc/60/14/21/1060601421.db2.gz GMVGETSKJFXXPM-CQSZACIVSA-N -1 0 392.795 3.871 20 5 GHBDRM C[C@@H](NC(=O)c1cc(Br)c(F)cc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001455644130 1062246395 /nfs/dbraw/zinc/24/63/95/1062246395.db2.gz FZPBLJNKEVSHCY-MRVPVSSYSA-N -1 0 383.173 3.693 20 5 GHBDRM CC(C)C(CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)C ZINC001463559106 1064459157 /nfs/dbraw/zinc/45/91/57/1064459157.db2.gz GIIBFVSOLZQKQO-UHFFFAOYSA-N -1 0 393.303 3.564 20 5 GHBDRM C[C@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC001464291536 1064943874 /nfs/dbraw/zinc/94/38/74/1064943874.db2.gz CPTMMUJOIIXRPR-NSHDSACASA-N -1 0 386.795 3.631 20 5 GHBDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001467397344 1067273806 /nfs/dbraw/zinc/27/38/06/1067273806.db2.gz ALSWJPXNHRPRJO-UHFFFAOYSA-N -1 0 387.783 3.608 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCCC[C@H]1c1ncc(Br)cn1 ZINC001473808844 1074154740 /nfs/dbraw/zinc/15/47/40/1074154740.db2.gz KJWSJKKCBCGSDF-HNNXBMFYSA-N -1 0 393.241 3.580 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(OC(F)F)c(Cl)c1 ZINC000071974410 211066439 /nfs/dbraw/zinc/06/64/39/211066439.db2.gz OWRMMGCTVWCBDB-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM C[C@@H](NC(=O)c1ccc(NCc2ccc3ccccc3c2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657999 599706171 /nfs/dbraw/zinc/70/61/71/599706171.db2.gz XOAUTJBENNRAJL-CYBMUJFWSA-N -1 0 393.399 3.563 20 5 GHBDRM COc1ccc(CC(=O)Oc2c(C(=O)[O-])ccc3ccccc32)cc1[N+](=O)[O-] ZINC000737985642 599733101 /nfs/dbraw/zinc/73/31/01/599733101.db2.gz ZROCUDABNPHCDN-UHFFFAOYSA-N -1 0 381.340 3.603 20 5 GHBDRM COc1cccc(N2CC[C@H](CNc3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC000738103375 599843153 /nfs/dbraw/zinc/84/31/53/599843153.db2.gz SZCLAPPESFSBNV-QKIRZYONSA-N -1 0 397.431 3.640 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2coc(-c3ccc(F)c(F)c3)n2)c1 ZINC000740186731 599891367 /nfs/dbraw/zinc/89/13/67/599891367.db2.gz RHAGZDUBIPFQKD-UHFFFAOYSA-N -1 0 376.271 3.805 20 5 GHBDRM COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1SC ZINC000610847919 599901162 /nfs/dbraw/zinc/90/11/62/599901162.db2.gz IZMNASXPVRCHHI-UHFFFAOYSA-N -1 0 396.808 3.929 20 5 GHBDRM COC(=O)c1sc2ccccc2c1COc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000737724275 599908413 /nfs/dbraw/zinc/90/84/13/599908413.db2.gz YCFTUFAXOMXTKC-UHFFFAOYSA-N -1 0 387.369 3.873 20 5 GHBDRM CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H](c1ccccc1)C(F)(F)F ZINC000737333848 599919512 /nfs/dbraw/zinc/91/95/12/599919512.db2.gz PDTVPOXWFLIDSR-CQSZACIVSA-N -1 0 382.294 3.669 20 5 GHBDRM COc1ccccc1[C@H]1CCCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738122516 599929662 /nfs/dbraw/zinc/92/96/62/599929662.db2.gz BWKDLWTXXIMJEP-QGZVFWFLSA-N -1 0 384.388 3.669 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736711895 600111598 /nfs/dbraw/zinc/11/15/98/600111598.db2.gz HPMJQCWMDAYPNS-SNVBAGLBSA-N -1 0 379.365 3.656 20 5 GHBDRM CC[C@@](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccccc1 ZINC000262506445 600132940 /nfs/dbraw/zinc/13/29/40/600132940.db2.gz ZLSRBILEOKSWSH-YJYMSZOUSA-N -1 0 388.445 3.582 20 5 GHBDRM O=C([O-])[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc21 ZINC000192935896 600222355 /nfs/dbraw/zinc/22/23/55/600222355.db2.gz CBLUEPOMNIMTES-CQSZACIVSA-N -1 0 395.396 3.547 20 5 GHBDRM O=C([O-])c1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])c(OC(F)F)c1 ZINC000739337389 600277260 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O=C([O-])c1cccc(-c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)c1 ZINC000833327967 600700987 /nfs/dbraw/zinc/70/09/87/600700987.db2.gz OEVDDDPVVVRBEA-UHFFFAOYSA-N -1 0 389.751 3.618 20 5 GHBDRM CO[C@H](CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000831520095 600819457 /nfs/dbraw/zinc/81/94/57/600819457.db2.gz TXWVKQQPPJBSSI-CQSZACIVSA-N -1 0 395.755 3.654 20 5 GHBDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237057263 600859052 /nfs/dbraw/zinc/85/90/52/600859052.db2.gz UNHMCYBIAIRDHZ-UHFFFAOYSA-N -1 0 382.294 3.584 20 5 GHBDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000431523540 600882213 /nfs/dbraw/zinc/88/22/13/600882213.db2.gz XPYPCLNTCZEYDF-UHFFFAOYSA-N -1 0 376.796 3.792 20 5 GHBDRM Cc1sc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000833034597 601151624 /nfs/dbraw/zinc/15/16/24/601151624.db2.gz ZERUDXDLYWNUIY-CHWSQXEVSA-N -1 0 389.433 3.856 20 5 GHBDRM 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ZINC000833118199 602087801 /nfs/dbraw/zinc/08/78/01/602087801.db2.gz ABCHDDYWRIUEEQ-OAHLLOKOSA-N -1 0 384.171 3.813 20 5 GHBDRM COc1ccc(CSCC(=O)Nc2ccccc2NC(=O)[O-])cc1[N+](=O)[O-] ZINC000739903477 602174991 /nfs/dbraw/zinc/17/49/91/602174991.db2.gz QDRBZIRLJWMEOZ-UHFFFAOYSA-N -1 0 391.405 3.565 20 5 GHBDRM O=C([O-])Nc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000740712598 602644789 /nfs/dbraw/zinc/64/47/89/602644789.db2.gz YOKYABKNEDMUHT-UHFFFAOYSA-N -1 0 380.154 3.700 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](NC(=O)[O-])c2ccc(C(C)C)cc2)c1 ZINC000740153911 602889173 /nfs/dbraw/zinc/88/91/73/602889173.db2.gz UYDSGTSLMFYJCY-KRWDZBQOSA-N -1 0 385.420 3.765 20 5 GHBDRM COc1ccc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1NC(=O)[O-] ZINC000829465735 603800679 /nfs/dbraw/zinc/80/06/79/603800679.db2.gz RXVHJBYCGOEAMW-LLVKDONJSA-N -1 0 388.380 3.884 20 5 GHBDRM Cn1c(CCCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])nc2ccccc21 ZINC000833038794 604271418 /nfs/dbraw/zinc/27/14/18/604271418.db2.gz OSVYGVMEDQGJTJ-UHFFFAOYSA-N -1 0 388.811 3.878 20 5 GHBDRM Cc1cc([C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Br)oc1C(=O)[O-] ZINC000832875401 604577568 /nfs/dbraw/zinc/57/75/68/604577568.db2.gz NZWAVBDLCXGZIB-QMMMGPOBSA-N -1 0 398.165 3.875 20 5 GHBDRM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000833445285 604805283 /nfs/dbraw/zinc/80/52/83/604805283.db2.gz YKTHPKNUXBBRNC-UHFFFAOYSA-N -1 0 386.360 3.501 20 5 GHBDRM O=C([O-])C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000833772603 604876405 /nfs/dbraw/zinc/87/64/05/604876405.db2.gz DZIZWOMEHSEDNH-AWEZNQCLSA-N -1 0 382.294 3.559 20 5 GHBDRM CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])cc1 ZINC000833662663 604999938 /nfs/dbraw/zinc/99/99/38/604999938.db2.gz JQHQWXJYWRIQCE-UHFFFAOYSA-N -1 0 390.417 3.813 20 5 GHBDRM CCCN(C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C1CCN(C(=O)[O-])CC1 ZINC000826875319 605548039 /nfs/dbraw/zinc/54/80/39/605548039.db2.gz ATIKMTMUWPYLGI-UHFFFAOYSA-N -1 0 378.429 3.598 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)c(C)cc1[N+](=O)[O-] ZINC000414366880 837410550 /nfs/dbraw/zinc/41/05/50/837410550.db2.gz CJQXTCLHLPTFFO-UHFFFAOYSA-N -1 0 391.449 3.607 20 5 GHBDRM O=C(N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F)c1cccc([O-])c1[N+](=O)[O-] ZINC000557609738 834423566 /nfs/dbraw/zinc/42/35/66/834423566.db2.gz MMZLSGHYDOHHBX-HNNXBMFYSA-N -1 0 379.294 3.815 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2OC(F)F)cs1 ZINC000120310485 835092403 /nfs/dbraw/zinc/09/24/03/835092403.db2.gz OBYKDHCPVFVHSO-UHFFFAOYSA-N -1 0 384.769 3.712 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c(Br)c1 ZINC000319013961 835336862 /nfs/dbraw/zinc/33/68/62/835336862.db2.gz GNTIMBKJQWUUCR-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM COc1ccccc1[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000583996566 835371400 /nfs/dbraw/zinc/37/14/00/835371400.db2.gz VCWPSYHPRAJXPG-LLVKDONJSA-N -1 0 376.796 3.592 20 5 GHBDRM Cc1[nH]nc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1-c1ccccc1 ZINC000536189673 835404519 /nfs/dbraw/zinc/40/45/19/835404519.db2.gz BHBWCOVZWGEDBV-UHFFFAOYSA-N -1 0 386.433 3.711 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c1C ZINC000162196186 835968217 /nfs/dbraw/zinc/96/82/17/835968217.db2.gz MGCTYWSWDXMDHB-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM COCCCC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000480619045 836043604 /nfs/dbraw/zinc/04/36/04/836043604.db2.gz XAYBQDWXTSIILX-MRXNPFEDSA-N -1 0 396.440 3.570 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(Cl)cc1Cl ZINC000180212970 836695022 /nfs/dbraw/zinc/69/50/22/836695022.db2.gz NQUIKCGHNOQOCB-UHFFFAOYSA-N -1 0 380.184 3.545 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccccc1Br ZINC000188594460 836757841 /nfs/dbraw/zinc/75/78/41/836757841.db2.gz LEYYGFTWJAKZTJ-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2N2CCCCC2)c1 ZINC000612785779 836760613 /nfs/dbraw/zinc/76/06/13/836760613.db2.gz 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COc1cc(CNc2ccc(C(=O)[O-])c(C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000579686805 839706547 /nfs/dbraw/zinc/70/65/47/839706547.db2.gz VTFXVHXTHQWZAN-UHFFFAOYSA-N -1 0 396.346 3.866 20 5 GHBDRM C[C@H](CCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000160610451 840044302 /nfs/dbraw/zinc/04/43/02/840044302.db2.gz MXPMVIKRWRVSFL-GFCCVEGCSA-N -1 0 396.852 3.637 20 5 GHBDRM O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000548137548 840269536 /nfs/dbraw/zinc/26/95/36/840269536.db2.gz KGRNGIXCGREWEM-CYBMUJFWSA-N -1 0 376.237 3.612 20 5 GHBDRM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000511735569 840572937 /nfs/dbraw/zinc/57/29/37/840572937.db2.gz SHXHKQOBLXICKI-GFCCVEGCSA-N -1 0 380.422 3.582 20 5 GHBDRM O=C(Nc1ccc(Oc2ccc(CO)cc2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000477117867 841820046 /nfs/dbraw/zinc/82/00/46/841820046.db2.gz XOKFMKYOOVPFME-UHFFFAOYSA-N -1 0 380.356 3.837 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000131248121 861281425 /nfs/dbraw/zinc/28/14/25/861281425.db2.gz BBNBUBHXINZTMK-UHFFFAOYSA-N -1 0 390.808 3.506 20 5 GHBDRM CC(C)(NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1Br ZINC000477720225 842983873 /nfs/dbraw/zinc/98/38/73/842983873.db2.gz QOXZEOCKEUPOPM-UHFFFAOYSA-N -1 0 379.210 3.728 20 5 GHBDRM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000121574178 843149179 /nfs/dbraw/zinc/14/91/79/843149179.db2.gz NZVKTKGSNJIRRJ-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=C(N=c1[n-]nc([C@H]2CCCc3ccccc32)s1)c1ccc([N+](=O)[O-])s1 ZINC000432588305 843229698 /nfs/dbraw/zinc/22/96/98/843229698.db2.gz CUVCVYHYVPAPJH-LBPRGKRZSA-N -1 0 386.458 3.650 20 5 GHBDRM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181904402 843568268 /nfs/dbraw/zinc/56/82/68/843568268.db2.gz NTSWNDYNXFGPMD-UHFFFAOYSA-N -1 0 397.431 3.733 20 5 GHBDRM Cc1cccc([C@H]([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C(F)(F)F)c1 ZINC000512441440 843816320 /nfs/dbraw/zinc/81/63/20/843816320.db2.gz OANJBKAOHJPFTQ-HNNXBMFYSA-N -1 0 388.367 3.626 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cccn2)cc1[N+](=O)[O-] ZINC000603980227 861499020 /nfs/dbraw/zinc/49/90/20/861499020.db2.gz CBZDFSSWTCUNMD-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM C[C@H]1c2cccc(Br)c2CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000509910240 845098999 /nfs/dbraw/zinc/09/89/99/845098999.db2.gz JPQOMUYAECVQTG-JTQLQIEISA-N -1 0 391.221 3.822 20 5 GHBDRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000785089186 845164381 /nfs/dbraw/zinc/16/43/81/845164381.db2.gz DBNYVYNLLRGNPV-LBPRGKRZSA-N -1 0 394.474 3.604 20 5 GHBDRM COc1ccc(Oc2ccc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])cn2)cc1 ZINC000513454354 845461476 /nfs/dbraw/zinc/46/14/76/845461476.db2.gz FDLUTXRIFPODCS-UHFFFAOYSA-N -1 0 381.344 3.749 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc(-c3ccccc3)ns2)cc1C ZINC000121733594 845891187 /nfs/dbraw/zinc/89/11/87/845891187.db2.gz YNLCPUGUAWTQLN-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM CC(C)c1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000162340141 861617094 /nfs/dbraw/zinc/61/70/94/861617094.db2.gz IFDGHWBDXGMGRO-UHFFFAOYSA-N -1 0 395.384 3.994 20 5 GHBDRM CSc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)nc1 ZINC000162335854 861617519 /nfs/dbraw/zinc/61/75/19/861617519.db2.gz JFEVYJUIXXFPBW-UHFFFAOYSA-N -1 0 393.368 3.531 20 5 GHBDRM CCOc1cc([N-]C(=O)c2ccc([N+](=O)[O-])s2)c([N+](=O)[O-])cc1OCC ZINC000280417884 846395804 /nfs/dbraw/zinc/39/58/04/846395804.db2.gz HWLIOIYCCMMJMN-UHFFFAOYSA-N -1 0 381.366 3.614 20 5 GHBDRM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1C ZINC000063181152 846549329 /nfs/dbraw/zinc/54/93/29/846549329.db2.gz OLFVMJYISDJIQE-UHFFFAOYSA-N -1 0 391.449 3.751 20 5 GHBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000280760941 846712710 /nfs/dbraw/zinc/71/27/10/846712710.db2.gz LLEUFPLMWWTUEE-SFHVURJKSA-N -1 0 390.823 3.540 20 5 GHBDRM CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237113382 847351286 /nfs/dbraw/zinc/35/12/86/847351286.db2.gz ALPHCYHNSWZWMS-UHFFFAOYSA-N -1 0 382.294 3.584 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)c1C ZINC000481582087 861792387 /nfs/dbraw/zinc/79/23/87/861792387.db2.gz PXJFGUHRXJDEFY-UHFFFAOYSA-N -1 0 390.339 3.753 20 5 GHBDRM Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479271075 847574195 /nfs/dbraw/zinc/57/41/95/847574195.db2.gz OPGMZFHKBJKFLA-UHFFFAOYSA-N -1 0 398.824 3.672 20 5 GHBDRM COc1ccc(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1OC1CCCC1 ZINC000511163191 847626386 /nfs/dbraw/zinc/62/63/86/847626386.db2.gz WAFOBQVAEIMWOQ-UHFFFAOYSA-N -1 0 386.404 3.560 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])nn1C(C)C ZINC000421179712 847823783 /nfs/dbraw/zinc/82/37/83/847823783.db2.gz DDJATMLLCVYSEE-UHFFFAOYSA-N -1 0 393.252 3.788 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c(Cl)c1 ZINC000434965220 849951897 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CCCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000436486134 851980966 /nfs/dbraw/zinc/98/09/66/851980966.db2.gz IILXQUIXSJLMRB-CQSZACIVSA-N -1 0 385.420 3.570 20 5 GHBDRM COc1cc(-c2nc3c(cccc3Br)n2C)cc([N+](=O)[O-])c1[O-] ZINC000436766940 852321647 /nfs/dbraw/zinc/32/16/47/852321647.db2.gz AKGIAYKPKGPEGU-UHFFFAOYSA-N -1 0 378.182 3.625 20 5 GHBDRM O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436797848 852355532 /nfs/dbraw/zinc/35/55/32/852355532.db2.gz PRNMVJHHNOASLQ-QGZVFWFLSA-N -1 0 383.791 3.868 20 5 GHBDRM COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436821358 852391121 /nfs/dbraw/zinc/39/11/21/852391121.db2.gz PAUWDWVGAMWNHF-SNVBAGLBSA-N -1 0 380.784 3.620 20 5 GHBDRM O=C([O-])[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 ZINC000426785661 852391324 /nfs/dbraw/zinc/39/13/24/852391324.db2.gz QSKYOJMQIFHKTJ-INIZCTEOSA-N -1 0 387.392 3.773 20 5 GHBDRM Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])ccc2C)n1 ZINC000150801911 852403382 /nfs/dbraw/zinc/40/33/82/852403382.db2.gz ZIIRYSHDGLCZPD-UHFFFAOYSA-N -1 0 387.417 3.976 20 5 GHBDRM O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436928527 852511785 /nfs/dbraw/zinc/51/17/85/852511785.db2.gz RWBONUJNSKUXIX-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436962575 852534102 /nfs/dbraw/zinc/53/41/02/852534102.db2.gz MGDFJUPPDNAIEH-UHFFFAOYSA-N -1 0 388.380 3.577 20 5 GHBDRM CC(=O)Nc1sc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])nc1-c1ccccc1 ZINC000436956756 852547024 /nfs/dbraw/zinc/54/70/24/852547024.db2.gz UDXHROGQDUFHDC-UHFFFAOYSA-N -1 0 398.400 3.635 20 5 GHBDRM CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436956753 852547236 /nfs/dbraw/zinc/54/72/36/852547236.db2.gz UDNBYWYLRNIGOI-UHFFFAOYSA-N -1 0 398.394 3.534 20 5 GHBDRM Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436976938 852563857 /nfs/dbraw/zinc/56/38/57/852563857.db2.gz BAEBYNXTGDYRMN-GOSISDBHSA-N -1 0 392.415 3.983 20 5 GHBDRM CC[C@](NC(=O)CCc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507300193 852760729 /nfs/dbraw/zinc/76/07/29/852760729.db2.gz OKADXOPWMXMXSM-LJQANCHMSA-N -1 0 390.823 3.687 20 5 GHBDRM CC[C@@](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507310690 852771142 /nfs/dbraw/zinc/77/11/42/852771142.db2.gz VTJZXQWUKOAEKA-SFHVURJKSA-N -1 0 376.796 3.677 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)cc1C ZINC000438752886 852820347 /nfs/dbraw/zinc/82/03/47/852820347.db2.gz HCOPKGHEMQZSIC-UHFFFAOYSA-N -1 0 390.339 3.737 20 5 GHBDRM COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc([O-])ccc4[N+](=O)[O-])CC3)c2c1 ZINC000506477023 853245447 /nfs/dbraw/zinc/24/54/47/853245447.db2.gz LZWRAASDCXDPRF-UHFFFAOYSA-N -1 0 393.399 3.720 20 5 GHBDRM O=C(NCCc1ccc(Br)cc1Cl)c1cc([O-])ccc1[N+](=O)[O-] ZINC000518353830 853257401 /nfs/dbraw/zinc/25/74/01/853257401.db2.gz MOMLGLJJFONLPG-UHFFFAOYSA-N -1 0 399.628 3.689 20 5 GHBDRM CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000518661027 853621950 /nfs/dbraw/zinc/62/19/50/853621950.db2.gz QLAMRTZFDWAUBK-UHFFFAOYSA-N -1 0 390.248 3.768 20 5 GHBDRM O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1 ZINC000506568988 853629930 /nfs/dbraw/zinc/62/99/30/853629930.db2.gz VEENZFOBWJZBST-UHFFFAOYSA-N -1 0 396.730 3.773 20 5 GHBDRM O=C([O-])c1ccc(NC2(c3ccc(C(F)(F)F)cc3)COC2)cc1[N+](=O)[O-] ZINC001168377933 853687473 /nfs/dbraw/zinc/68/74/73/853687473.db2.gz RDTKEWPJDIPPAX-UHFFFAOYSA-N -1 0 382.294 3.649 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2OCC(F)F)c1 ZINC000588855041 854552450 /nfs/dbraw/zinc/55/24/50/854552450.db2.gz DBEKOTDRTDSEHU-UHFFFAOYSA-N -1 0 392.767 3.693 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1cccc(O)c1F ZINC000131516457 854765482 /nfs/dbraw/zinc/76/54/82/854765482.db2.gz JTCIMABZPDOSAZ-UHFFFAOYSA-N -1 0 381.168 3.547 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)c1[N+](=O)[O-] ZINC000589557669 855026249 /nfs/dbraw/zinc/02/62/49/855026249.db2.gz HZYRSCVWXCZNQC-UHFFFAOYSA-N -1 0 389.355 3.735 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000017960388 855366807 /nfs/dbraw/zinc/36/68/07/855366807.db2.gz IWMHCTAZAMQKOH-UHFFFAOYSA-N -1 0 383.429 3.930 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000590423090 855401998 /nfs/dbraw/zinc/40/19/98/855401998.db2.gz ICAHXHOQKJACJB-UHFFFAOYSA-N -1 0 380.322 3.634 20 5 GHBDRM COc1cc(CNc2ncc(Cc3ccccc3F)s2)cc([N+](=O)[O-])c1[O-] ZINC000542750285 855618170 /nfs/dbraw/zinc/61/81/70/855618170.db2.gz GFMBOUPQOLYIHZ-UHFFFAOYSA-N -1 0 389.408 3.529 20 5 GHBDRM Cc1ccc2cccc([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])c2n1 ZINC000171345031 856098866 /nfs/dbraw/zinc/09/88/66/856098866.db2.gz HJEOTTMAHFZUMH-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)NC2(c3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC000482164694 862765656 /nfs/dbraw/zinc/76/56/56/862765656.db2.gz BHAJJAACSZOFBD-UHFFFAOYSA-N 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COc1cc(C(=O)Nc2c(F)cc(Br)cc2F)ccc1[N+](=O)[O-] ZINC000175248484 857472568 /nfs/dbraw/zinc/47/25/68/857472568.db2.gz OWZVMQYXBWHHJR-UHFFFAOYSA-N -1 0 387.136 3.896 20 5 GHBDRM COc1cc(Br)ccc1CCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000543016479 857862051 /nfs/dbraw/zinc/86/20/51/857862051.db2.gz LXHPYDALELXVMI-UHFFFAOYSA-N -1 0 395.209 3.643 20 5 GHBDRM Cc1ccc(CN(CC2CC2)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000592831025 858290004 /nfs/dbraw/zinc/29/00/04/858290004.db2.gz JPIYTTFQHFAWSV-UHFFFAOYSA-N -1 0 375.812 3.710 20 5 GHBDRM CCCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCc2ncsc2C1 ZINC000592902888 858373420 /nfs/dbraw/zinc/37/34/20/858373420.db2.gz UHODJRYNQVXVMM-LBPRGKRZSA-N -1 0 375.450 3.557 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(c3nc(-c4ccccc4)no3)CC2)c1 ZINC000592971786 858457150 /nfs/dbraw/zinc/45/71/50/858457150.db2.gz CVHKLHWGJSZOSM-UHFFFAOYSA-N -1 0 394.387 3.727 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2cccnc12 ZINC000129622260 858687081 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CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000790086121 879454710 /nfs/dbraw/zinc/45/47/10/879454710.db2.gz ZCWKBFNNQNPBJH-UHFFFAOYSA-N -1 0 396.396 3.530 20 5 GHBDRM CCc1c([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cnn1C(CC)CC ZINC000790422187 879702556 /nfs/dbraw/zinc/70/25/56/879702556.db2.gz RQXYVXGERZYYDY-UHFFFAOYSA-N -1 0 384.433 3.655 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)ccc1[N+](=O)[O-] ZINC000531582606 880158366 /nfs/dbraw/zinc/15/83/66/880158366.db2.gz MWCDZKUXIWFZAM-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(OCc2cccnc2)cc1 ZINC000531766573 880441374 /nfs/dbraw/zinc/44/13/74/880441374.db2.gz CWLTVVBHQHAYLN-CQSZACIVSA-N -1 0 393.399 3.765 20 5 GHBDRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000175014603 883185987 /nfs/dbraw/zinc/18/59/87/883185987.db2.gz QDOFRTJRCJJYSA-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2cccc(OCCC(C)C)c2)c([N+](=O)[O-])c1 ZINC000064374036 883228135 /nfs/dbraw/zinc/22/81/35/883228135.db2.gz MCMRFYFTKCEOID-UHFFFAOYSA-N -1 0 394.449 3.829 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1SC ZINC000064374985 883229103 /nfs/dbraw/zinc/22/91/03/883229103.db2.gz YJEIBPSDCSSWMT-UHFFFAOYSA-N -1 0 388.854 3.780 20 5 GHBDRM CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OCC ZINC000609657778 883497162 /nfs/dbraw/zinc/49/71/62/883497162.db2.gz ACOFYFZYRLBXFR-UHFFFAOYSA-N -1 0 380.422 3.501 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)ccc1[N+](=O)[O-] ZINC000609661401 883500930 /nfs/dbraw/zinc/50/09/30/883500930.db2.gz IKTICYQRCAPKMD-UHFFFAOYSA-N -1 0 375.406 3.969 20 5 GHBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000263071331 883526468 /nfs/dbraw/zinc/52/64/68/883526468.db2.gz GTBJFFDCNAMWHZ-KGLIPLIRSA-N -1 0 399.403 3.962 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2nc3c(s2)CCCCCC3)ccc1[N+](=O)[O-] ZINC000609690860 883526581 /nfs/dbraw/zinc/52/65/81/883526581.db2.gz IZSUOESVSADORV-UHFFFAOYSA-N -1 0 381.479 3.820 20 5 GHBDRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000609769873 883627630 /nfs/dbraw/zinc/62/76/30/883627630.db2.gz YUMJEKDHHBBUSN-QZTJIDSGSA-N -1 0 382.372 3.993 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c1F ZINC000760355760 883993997 /nfs/dbraw/zinc/99/39/97/883993997.db2.gz JVJDXHGYLHXBMI-UHFFFAOYSA-N -1 0 392.412 3.774 20 5 GHBDRM Cc1c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cnc(Cl)c1Br ZINC000760450476 884113818 /nfs/dbraw/zinc/11/38/18/884113818.db2.gz LJXCNHNTOKBJTQ-UHFFFAOYSA-N -1 0 386.589 3.672 20 5 GHBDRM C[C@@H](Cc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC000191440777 884965808 /nfs/dbraw/zinc/96/58/08/884965808.db2.gz LFPFZAWHNNEABF-LBPRGKRZSA-N -1 0 383.404 3.685 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nnc(C[C@H](C)CC(C)(C)C)o1 ZINC000194885158 885457486 /nfs/dbraw/zinc/45/74/86/885457486.db2.gz HRMBUEKOJMSNIV-NSHDSACASA-N -1 0 396.469 3.702 20 5 GHBDRM Cc1[nH]c2ccc(F)cc2c1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001170526454 885492995 /nfs/dbraw/zinc/49/29/95/885492995.db2.gz PVHSXLWIHBSLEJ-UHFFFAOYSA-N -1 0 391.786 3.855 20 5 GHBDRM CSc1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1Cl ZINC000476403278 885593411 /nfs/dbraw/zinc/59/34/11/885593411.db2.gz HMWYHZAPLWTSFQ-UHFFFAOYSA-N -1 0 376.818 3.910 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(-c2ccc(Cl)s2)[nH]n1 ZINC000537601747 886008039 /nfs/dbraw/zinc/00/80/39/886008039.db2.gz JIKXHPUQDWSUIM-UHFFFAOYSA-N -1 0 384.826 3.501 20 5 GHBDRM O=C([O-])c1ccc(F)c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000238040195 887015335 /nfs/dbraw/zinc/01/53/35/887015335.db2.gz PXXSXYBJSPTHIH-UHFFFAOYSA-N -1 0 390.370 3.631 20 5 GHBDRM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795953079 913106421 /nfs/dbraw/zinc/10/64/21/913106421.db2.gz MSCKCALDFJIXJU-SSDOTTSWSA-N -1 0 392.758 3.787 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C2CCOCC2)c1 ZINC000863427347 887098981 /nfs/dbraw/zinc/09/89/81/887098981.db2.gz UTLFOYJJCGUCRV-UHFFFAOYSA-N -1 0 396.852 3.943 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)cc1[N+](=O)[O-] ZINC000326014564 887776410 /nfs/dbraw/zinc/77/64/10/887776410.db2.gz NBZZRMZNMLUODL-UHFFFAOYSA-N -1 0 395.195 3.856 20 5 GHBDRM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000614857113 888311420 /nfs/dbraw/zinc/31/14/20/888311420.db2.gz YNWAWHJABOCVLW-UHFFFAOYSA-N -1 0 395.186 3.911 20 5 GHBDRM Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000811711660 889889567 /nfs/dbraw/zinc/88/95/67/889889567.db2.gz OEHAVBLZKBSFSO-UHFFFAOYSA-N -1 0 395.746 3.771 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000916790416 890210358 /nfs/dbraw/zinc/21/03/58/890210358.db2.gz AWEDTALRRABZFO-SNVBAGLBSA-N -1 0 390.889 3.824 20 5 GHBDRM O=C([N-]S(=O)(=O)c1ccccc1Cl)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000916797206 890238157 /nfs/dbraw/zinc/23/81/57/890238157.db2.gz BZIHDYQJORVLID-UHFFFAOYSA-N -1 0 396.833 3.582 20 5 GHBDRM CO[C@H](C)c1nsc([N-]C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC000813243549 891399239 /nfs/dbraw/zinc/39/92/39/891399239.db2.gz REYLTUMKQVMJIC-RXMQYKEDSA-N -1 0 377.209 3.713 20 5 GHBDRM Cc1cccc([C@H](N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)c2ccccn2)c1 ZINC000497540660 891841825 /nfs/dbraw/zinc/84/18/25/891841825.db2.gz BWOWFXSJRLJJGW-IBGZPJMESA-N -1 0 387.399 3.972 20 5 GHBDRM Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000124934115 892077204 /nfs/dbraw/zinc/07/72/04/892077204.db2.gz IQQMCKHELIJQPY-UHFFFAOYSA-N -1 0 386.795 3.759 20 5 GHBDRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000216867888 892465214 /nfs/dbraw/zinc/46/52/14/892465214.db2.gz SNJRJDFWVYGREK-HNNXBMFYSA-N -1 0 390.461 3.600 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)sc1-c1ccccc1 ZINC000917877504 892745943 /nfs/dbraw/zinc/74/59/43/892745943.db2.gz OEKSWNNQVAYYDX-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815036478 893389367 /nfs/dbraw/zinc/38/93/67/893389367.db2.gz XAGMURWISDVEOT-VIFPVBQESA-N -1 0 392.758 3.643 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cnn1-c1cc(C)ccc1C ZINC000194650796 893708640 /nfs/dbraw/zinc/70/86/40/893708640.db2.gz PQBKBRAOLMMRBR-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1C ZINC000537196450 894526348 /nfs/dbraw/zinc/52/63/48/894526348.db2.gz QOBASJPIGDVRMQ-SECBINFHSA-N -1 0 386.861 3.833 20 5 GHBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(C(F)(F)F)nc1Cl ZINC000816764494 895056516 /nfs/dbraw/zinc/05/65/16/895056516.db2.gz VPWXJAGBBGCCJJ-SSDOTTSWSA-N -1 0 389.717 3.859 20 5 GHBDRM CC(C)[C@H]1N(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])CC1(C)C ZINC000817217698 895401772 /nfs/dbraw/zinc/40/17/72/895401772.db2.gz FHWULALYKKKPBG-MRXNPFEDSA-N -1 0 392.843 3.646 20 5 GHBDRM O=C(NCc1cc(Br)cs1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001136291079 897080349 /nfs/dbraw/zinc/08/03/49/897080349.db2.gz KFUQRGIEWPWBGB-UHFFFAOYSA-N -1 0 391.630 3.708 20 5 GHBDRM CN(c1ccccc1)C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000567354982 897087177 /nfs/dbraw/zinc/08/71/77/897087177.db2.gz QDXWFFZDNBDNGZ-UHFFFAOYSA-N -1 0 389.839 3.695 20 5 GHBDRM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000568513943 897900458 /nfs/dbraw/zinc/90/04/58/897900458.db2.gz RWEKGRVOPUFCBG-CZUORRHYSA-N -1 0 376.796 3.604 20 5 GHBDRM Cc1ccc(C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])c2ccccn2)cc1 ZINC001136789498 899286046 /nfs/dbraw/zinc/28/60/46/899286046.db2.gz VGDCKCGYTPLLBT-GOSISDBHSA-N -1 0 377.400 3.718 20 5 GHBDRM Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4ccc([O-])c([N+](=O)[O-])c4)C3)nc2c1 ZINC000119335222 899592226 /nfs/dbraw/zinc/59/22/26/899592226.db2.gz VFSPCCPDSKHTHU-AWEZNQCLSA-N -1 0 380.404 3.505 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1N1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000844218271 900584583 /nfs/dbraw/zinc/58/45/83/900584583.db2.gz JRRYHCIHMGTHJU-GOSISDBHSA-N -1 0 389.839 3.505 20 5 GHBDRM COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1OC1CCCC1 ZINC001144156172 901163261 /nfs/dbraw/zinc/16/32/61/901163261.db2.gz IQNSWVFRMSYQDT-UHFFFAOYSA-N -1 0 386.404 3.560 20 5 GHBDRM O=C([O-])c1csc(C2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)n1 ZINC000575409384 901225562 /nfs/dbraw/zinc/22/55/62/901225562.db2.gz JPAJDQAMSXUGRZ-UHFFFAOYSA-N -1 0 384.417 3.682 20 5 GHBDRM Cc1ccc(C)c([C@@H]2CN(c3nc(C)cc(C(=O)[O-])c3[N+](=O)[O-])[C@H](C)CO2)c1 ZINC000576520340 902074270 /nfs/dbraw/zinc/07/42/70/902074270.db2.gz LVECSOXNNGJZJW-PBHICJAKSA-N -1 0 385.420 3.580 20 5 GHBDRM C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000577111973 902511937 /nfs/dbraw/zinc/51/19/37/902511937.db2.gz WJSCQWWSENXWTM-QFYYESIMSA-N -1 0 394.786 3.695 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc(N3CC[C@@H](C(=O)[O-])[C@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000600799060 902934900 /nfs/dbraw/zinc/93/49/00/902934900.db2.gz CZIPWZWRJMPWGP-RHSMWYFYSA-N -1 0 397.431 3.703 20 5 GHBDRM Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)oc1C(=O)[O-] ZINC000600877211 903038507 /nfs/dbraw/zinc/03/85/07/903038507.db2.gz IQJAUXIHQWOHCT-UHFFFAOYSA-N -1 0 378.406 3.625 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001146475808 903550674 /nfs/dbraw/zinc/55/06/74/903550674.db2.gz SXWKDZRTBXELGY-UHFFFAOYSA-N -1 0 396.230 3.570 20 5 GHBDRM CC(C)[C@@H]1CCCCN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001146679265 903584025 /nfs/dbraw/zinc/58/40/25/903584025.db2.gz VYZNQONMKABFNT-ZDUSSCGKSA-N -1 0 392.843 3.790 20 5 GHBDRM Cc1c(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])sc2ccc(Cl)cc12 ZINC000578212490 903618218 /nfs/dbraw/zinc/61/82/18/903618218.db2.gz MYMTUCDSBAWEJT-UHFFFAOYSA-N -1 0 397.865 3.645 20 5 GHBDRM O=C(N[C@@H](CCc1ccccc1)c1ccccn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001171654956 904899871 /nfs/dbraw/zinc/89/98/71/904899871.db2.gz IQYDISVDTIKEGK-IBGZPJMESA-N -1 0 377.400 3.799 20 5 GHBDRM CCOC(=O)c1c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)onc1-c1ccccc1 ZINC001174503974 907078806 /nfs/dbraw/zinc/07/88/06/907078806.db2.gz RIJBUTHEGJJZDY-UHFFFAOYSA-N -1 0 397.343 3.868 20 5 GHBDRM COC(=O)c1c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)scc1C(F)(F)F ZINC001174503430 907078900 /nfs/dbraw/zinc/07/89/00/907078900.db2.gz OMWJFBNMRJBEQI-UHFFFAOYSA-N -1 0 390.295 3.904 20 5 GHBDRM CCOC(=O)c1cnc2c(cccc2Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174505300 907081626 /nfs/dbraw/zinc/08/16/26/907081626.db2.gz UJQWMMHZNMYEOC-UHFFFAOYSA-N -1 0 381.344 3.762 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC001176028723 907892921 /nfs/dbraw/zinc/89/29/21/907892921.db2.gz OZQCULQEAGOBCV-UHFFFAOYSA-N -1 0 397.353 3.758 20 5 GHBDRM CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001176415658 908107951 /nfs/dbraw/zinc/10/79/51/908107951.db2.gz KDYUPUGLTKRART-ZDUSSCGKSA-N -1 0 376.359 3.987 20 5 GHBDRM Nc1cc2c(ccn2-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(Br)c1 ZINC001176679047 908206427 /nfs/dbraw/zinc/20/64/27/908206427.db2.gz APTVDRRERBNERH-UHFFFAOYSA-N -1 0 376.166 3.582 20 5 GHBDRM O=C([O-])c1cc(Nc2cccc(F)c2OC[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC001176679002 908206447 /nfs/dbraw/zinc/20/64/47/908206447.db2.gz FITPDJGIHHAWRP-CQSZACIVSA-N -1 0 376.340 3.734 20 5 GHBDRM O=C([O-])c1cc(Nc2ccc3nc(-c4ccc(F)cc4)nn3c2)cc([N+](=O)[O-])c1 ZINC001176678536 908206761 /nfs/dbraw/zinc/20/67/61/908206761.db2.gz SKLLUFFJOZHVDO-UHFFFAOYSA-N -1 0 393.334 3.885 20 5 GHBDRM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC001177588181 908652905 /nfs/dbraw/zinc/65/29/05/908652905.db2.gz TZIGIKNPRUVOFT-CYBMUJFWSA-N -1 0 380.404 3.540 20 5 GHBDRM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)c1 ZINC000795624801 911452435 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0 376.731 3.735 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C1(C2CCC2)CCC1 ZINC001463852424 1064670371 /nfs/dbraw/zinc/67/03/71/1064670371.db2.gz WDSBXCSKBUJGDY-UHFFFAOYSA-N -1 0 379.265 3.903 20 5 GHBDRM Cc1cc(N(C)C)cc(C)c1CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001466408698 1066137144 /nfs/dbraw/zinc/13/71/44/1066137144.db2.gz DELGOYJJCCBVHJ-UHFFFAOYSA-N -1 0 377.828 3.818 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001546162370 1067275794 /nfs/dbraw/zinc/27/57/94/1067275794.db2.gz HMFILYJVNUZUSF-NWDGAFQWSA-N -1 0 377.740 3.604 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC001469890433 1068450039 /nfs/dbraw/zinc/45/00/39/1068450039.db2.gz ONLGGGRDCUJLSZ-UHFFFAOYSA-N -1 0 383.187 3.511 20 5 GHBDRM C[C@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001471259757 1072987081 /nfs/dbraw/zinc/98/70/81/1072987081.db2.gz MBDWDYOKGSCMHQ-LJQANCHMSA-N -1 0 376.359 3.816 20 5 GHBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000738200078 599880668 /nfs/dbraw/zinc/88/06/68/599880668.db2.gz GWPPAHAWSZWARX-HNNXBMFYSA-N -1 0 375.406 3.654 20 5 GHBDRM O=C([O-])c1sc2ccccc2c1COC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000739309146 599945694 /nfs/dbraw/zinc/94/56/94/599945694.db2.gz QXJNIWJPSQCSFY-UHFFFAOYSA-N -1 0 386.385 3.663 20 5 GHBDRM O=C([O-])/C=C/c1ccc(Oc2ccc(C(=O)N3CCCC3)cc2)c([N+](=O)[O-])c1 ZINC000739623977 599960037 /nfs/dbraw/zinc/96/00/37/599960037.db2.gz HUXCGPFHORSVGJ-ONNFQVAWSA-N -1 0 382.372 3.721 20 5 GHBDRM CCc1cc(N2Cc3ccc(C(=O)[O-])cc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000737255260 600006454 /nfs/dbraw/zinc/00/64/54/600006454.db2.gz XYGXEGWYWKHNII-UHFFFAOYSA-N -1 0 390.399 3.833 20 5 GHBDRM CNc1ccc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000537369216 600076315 /nfs/dbraw/zinc/07/63/15/600076315.db2.gz QIQLUKOLGCIKQH-UHFFFAOYSA-N -1 0 389.433 3.597 20 5 GHBDRM O=C([O-])c1ccc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 ZINC000740101864 600116256 /nfs/dbraw/zinc/11/62/56/600116256.db2.gz VYSHUTSCRVZAFQ-UHFFFAOYSA-N -1 0 397.390 3.951 20 5 GHBDRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000431437465 600381655 /nfs/dbraw/zinc/38/16/55/600381655.db2.gz ZPRFATHPZMCLSJ-UHFFFAOYSA-N -1 0 397.214 3.558 20 5 GHBDRM CC(C)C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1 ZINC000736414779 600444543 /nfs/dbraw/zinc/44/45/43/600444543.db2.gz JHNIWBNKOSAMDY-QGZVFWFLSA-N -1 0 386.404 3.575 20 5 GHBDRM Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738291396 600462815 /nfs/dbraw/zinc/46/28/15/600462815.db2.gz RDXIPVAKMNGTGL-SNVBAGLBSA-N -1 0 378.768 3.661 20 5 GHBDRM O=C([O-])COc1cccc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)c1 ZINC000739826193 600588218 /nfs/dbraw/zinc/58/82/18/600588218.db2.gz KLYPJDPQXSIGMJ-UHFFFAOYSA-N -1 0 384.388 3.648 20 5 GHBDRM CN(CC(=O)Nc1cc2ccccc2cc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000830681732 600876643 /nfs/dbraw/zinc/87/66/43/600876643.db2.gz 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COCCOc1cc(C)ccc1CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000831766994 604271358 /nfs/dbraw/zinc/27/13/58/604271358.db2.gz CXAUROZVXHCQNA-UHFFFAOYSA-N -1 0 394.811 3.892 20 5 GHBDRM C[C@@H]1C[C@@H](Nc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000833598586 604467059 /nfs/dbraw/zinc/46/70/59/604467059.db2.gz RLHJNLWGQVBFLU-AGGWBTHJSA-N -1 0 398.415 3.892 20 5 GHBDRM O=C([O-])C[C@H]1CCCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000833211650 604594135 /nfs/dbraw/zinc/59/41/35/604594135.db2.gz IOWSDIQATMRSRI-OAHLLOKOSA-N -1 0 386.429 3.825 20 5 GHBDRM O=C([O-])c1cccc(NC2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)c1 ZINC000833331505 604641089 /nfs/dbraw/zinc/64/10/89/604641089.db2.gz KXIYOEGCISUEGT-UHFFFAOYSA-N -1 0 392.415 3.922 20 5 GHBDRM O=C([O-])c1cccc(NC2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)c1 ZINC000833331580 604641201 /nfs/dbraw/zinc/64/12/01/604641201.db2.gz MKDWYDKEZKEOEY-UHFFFAOYSA-N -1 0 398.444 3.984 20 5 GHBDRM O=C([O-])c1cc(OCc2nnc(-c3ccc(Cl)cc3)o2)ccc1[N+](=O)[O-] ZINC000833300784 604773500 /nfs/dbraw/zinc/77/35/00/604773500.db2.gz KGOKDZRWYKKHDO-UHFFFAOYSA-N -1 0 375.724 3.575 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000591349731 604860154 /nfs/dbraw/zinc/86/01/54/604860154.db2.gz BVPGVPOAIDVVKE-BLLLJJGKSA-N -1 0 386.429 3.681 20 5 GHBDRM C[C@@H]1CCC[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC000833613015 605005877 /nfs/dbraw/zinc/00/58/77/605005877.db2.gz WDMWNGGTPWGGOW-QWHCGFSZSA-N -1 0 380.466 3.812 20 5 GHBDRM C[C@H]1CC(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C[C@H](C)C1 ZINC000833587305 605006060 /nfs/dbraw/zinc/00/60/60/605006060.db2.gz BDCCACQPXYPLJS-VXGBXAGGSA-N -1 0 380.466 3.716 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC000833545783 605200652 /nfs/dbraw/zinc/20/06/52/605200652.db2.gz NDUWFFNVJJBSMZ-UONOGXRCSA-N -1 0 388.445 3.577 20 5 GHBDRM O=C([O-])Nc1cccc(-c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)c1 ZINC000834261853 605489387 /nfs/dbraw/zinc/48/93/87/605489387.db2.gz FZTGIEABOCEAQT-UHFFFAOYSA-N -1 0 379.332 3.807 20 5 GHBDRM COC(C)(C)CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000414371100 837442032 /nfs/dbraw/zinc/44/20/32/837442032.db2.gz LZWAKNAXLQPBLA-UHFFFAOYSA-N -1 0 379.438 3.505 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000180771166 837523378 /nfs/dbraw/zinc/52/33/78/837523378.db2.gz WHKKPEDKEIMHPF-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)ccc2o1 ZINC000120164361 834732783 /nfs/dbraw/zinc/73/27/83/834732783.db2.gz YEPQVZCEBSYFSB-UHFFFAOYSA-N -1 0 381.435 3.896 20 5 GHBDRM O=C([O-])[C@@]1(C(F)(F)F)CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000583634597 834780869 /nfs/dbraw/zinc/78/08/69/834780869.db2.gz ZZRWGEQOKHESJO-MRXNPFEDSA-N -1 0 381.310 3.500 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cccc1OCC(F)(F)F ZINC000120239109 834960772 /nfs/dbraw/zinc/96/07/72/834960772.db2.gz DFSPZERIBQPXLY-UHFFFAOYSA-N -1 0 396.368 3.707 20 5 GHBDRM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187025006 834972317 /nfs/dbraw/zinc/97/23/17/834972317.db2.gz XFICZWOQOZPXRZ-APPDUMDISA-N -1 0 376.796 3.556 20 5 GHBDRM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000187072527 835001212 /nfs/dbraw/zinc/00/12/12/835001212.db2.gz ZOTONXPXNSDIEN-APPDUMDISA-N -1 0 376.796 3.556 20 5 GHBDRM C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H](c2ccccc2)CO1 ZINC000583936273 835262014 /nfs/dbraw/zinc/26/20/14/835262014.db2.gz WIOFRRJHRQOQHT-BZNIZROVSA-N -1 0 376.796 3.556 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cnccc1-c1cccc(F)c1 ZINC000176978974 835420054 /nfs/dbraw/zinc/42/00/54/835420054.db2.gz HHLPPRXXTPCARD-UHFFFAOYSA-N -1 0 391.355 3.736 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2c(ccc(F)c2F)s1 ZINC000500851974 844060832 /nfs/dbraw/zinc/06/08/32/844060832.db2.gz KLAWUZRKVHZNBK-UHFFFAOYSA-N -1 0 399.400 3.846 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1[O-] ZINC000309553376 835568738 /nfs/dbraw/zinc/56/87/38/835568738.db2.gz YFTYWONPOGCLJV-UHFFFAOYSA-N -1 0 398.440 3.692 20 5 GHBDRM COCCSc1ccc([C@@H](C)Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000584175249 835721394 /nfs/dbraw/zinc/72/13/94/835721394.db2.gz PJZNPKUUJMOXQC-GFCCVEGCSA-N -1 0 391.449 3.908 20 5 GHBDRM COc1c(Cl)cc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1Cl ZINC000509575771 835749015 /nfs/dbraw/zinc/74/90/15/835749015.db2.gz XZOYGXDKIPYGQU-UHFFFAOYSA-N -1 0 395.195 3.850 20 5 GHBDRM COc1ccc(-c2nnc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)s2)cc1 ZINC000136304211 835937133 /nfs/dbraw/zinc/93/71/33/835937133.db2.gz FFMVPMVMJLYGEN-UHFFFAOYSA-N -1 0 376.419 3.744 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1Cc1nc(=O)c2snc(-c3ccccc3)c2[n-]1 ZINC000548826695 835954121 /nfs/dbraw/zinc/95/41/21/835954121.db2.gz PDXSTCJQENFEEE-UHFFFAOYSA-N -1 0 378.413 3.854 20 5 GHBDRM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000179084132 835968876 /nfs/dbraw/zinc/96/88/76/835968876.db2.gz NQLWVRHAQCSDOK-UHFFFAOYSA-N -1 0 383.857 3.732 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)ccn2)s1 ZINC000175667618 836937569 /nfs/dbraw/zinc/93/75/69/836937569.db2.gz PRAWONFRLPSHLU-UHFFFAOYSA-N -1 0 389.458 3.637 20 5 GHBDRM Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000180351571 837168778 /nfs/dbraw/zinc/16/87/78/837168778.db2.gz RLEBITFNVXFGRA-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM CCOc1cc([N-]C(=O)c2c(C)noc2C(F)F)c([N+](=O)[O-])cc1OCC ZINC000610432106 839313316 /nfs/dbraw/zinc/31/33/16/839313316.db2.gz FIFFXTRLWDHRRB-UHFFFAOYSA-N -1 0 385.323 3.879 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccn2)cc1[N+](=O)[O-] ZINC000471568337 839433486 /nfs/dbraw/zinc/43/34/86/839433486.db2.gz YLHUIIJPRCCKPS-UHFFFAOYSA-N -1 0 398.853 3.605 20 5 GHBDRM Cc1sc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)nc1-c1c[nH]c2ncccc12 ZINC000123640334 841812380 /nfs/dbraw/zinc/81/23/80/841812380.db2.gz VTCPBUHWEMBMTD-UHFFFAOYSA-N -1 0 395.400 3.861 20 5 GHBDRM CC(C)OCc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000126770356 842041382 /nfs/dbraw/zinc/04/13/82/842041382.db2.gz XYSJCZABEZCVHH-UHFFFAOYSA-N -1 0 384.841 3.974 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000155966559 842189355 /nfs/dbraw/zinc/18/93/55/842189355.db2.gz VMIGVFDOISADSS-NWDGAFQWSA-N -1 0 382.294 3.941 20 5 GHBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000600227014 861338972 /nfs/dbraw/zinc/33/89/72/861338972.db2.gz HUOKSHDAOSVXJH-UHFFFAOYSA-N -1 0 378.479 3.674 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c(F)c1 ZINC000121576615 843182902 /nfs/dbraw/zinc/18/29/02/843182902.db2.gz HBGCFCZJTGLDQN-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2F)cc1[N+](=O)[O-] ZINC000549607327 843471680 /nfs/dbraw/zinc/47/16/80/843471680.db2.gz KFOMDCSMQRGOPR-UHFFFAOYSA-N -1 0 390.396 3.542 20 5 GHBDRM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cc2ccccc2s1 ZINC000500485292 843527150 /nfs/dbraw/zinc/52/71/50/843527150.db2.gz JFCJZVLUMYGFQG-JTQLQIEISA-N -1 0 380.422 3.988 20 5 GHBDRM O=C(NCC1(c2cccc(Br)c2)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000512920859 843987477 /nfs/dbraw/zinc/98/74/77/843987477.db2.gz CWJGOGMWDLRVCK-UHFFFAOYSA-N -1 0 391.221 3.525 20 5 GHBDRM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000603981398 861500844 /nfs/dbraw/zinc/50/08/44/861500844.db2.gz XRLIELFXWZZKAK-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM O=[N+]([O-])c1ccc2[nH]nc([N-]S(=O)(=O)C=Cc3cccc(Cl)c3)c2c1 ZINC000588481195 844900875 /nfs/dbraw/zinc/90/08/75/844900875.db2.gz HUNVEMZVMODCJM-SREVYHEPSA-N -1 0 378.797 3.537 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(-c3ccccc3F)on2)c1[N+](=O)[O-] ZINC000433127325 845460706 /nfs/dbraw/zinc/46/07/06/845460706.db2.gz HNDDJPNTVOPOPP-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)s3)[nH]n2)c([N+](=O)[O-])c1 ZINC000538704068 845592100 /nfs/dbraw/zinc/59/21/00/845592100.db2.gz TVQZTGWIFOQYGA-UHFFFAOYSA-N -1 0 398.853 3.809 20 5 GHBDRM O=C(CCc1cc(Br)ccc1F)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000538870547 845677764 /nfs/dbraw/zinc/67/77/64/845677764.db2.gz MMGPKBRDNGRFCJ-UHFFFAOYSA-N -1 0 383.173 3.773 20 5 GHBDRM CC[C@](CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)(C(=O)[O-])c1ccccc1 ZINC000262972839 845739835 /nfs/dbraw/zinc/73/98/35/845739835.db2.gz KBJJBKIUAADSIO-OAQYLSRUSA-N -1 0 384.432 3.682 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263011863 845771612 /nfs/dbraw/zinc/77/16/12/845771612.db2.gz HRJMHXVWVHMIDM-INIZCTEOSA-N -1 0 385.420 3.809 20 5 GHBDRM CCCOCc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000604038876 861615603 /nfs/dbraw/zinc/61/56/03/861615603.db2.gz ZGMGXZSXFDWQCU-UHFFFAOYSA-N -1 0 398.868 3.653 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)Cc1ccccc1-2 ZINC000071974523 846097819 /nfs/dbraw/zinc/09/78/19/846097819.db2.gz ORMWIFSWPMMBGQ-UHFFFAOYSA-N -1 0 396.424 3.975 20 5 GHBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000263351958 846185292 /nfs/dbraw/zinc/18/52/92/846185292.db2.gz VTYHCZWRECFGDM-OAQYLSRUSA-N -1 0 397.431 3.534 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000135682141 848337897 /nfs/dbraw/zinc/33/78/97/848337897.db2.gz HGZLKWLTCXICQK-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM O=C([O-])[C@@H](Cc1cccc2ccccc21)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000583001625 848850207 /nfs/dbraw/zinc/85/02/07/848850207.db2.gz IWMQTCYOCUGRAF-GOSISDBHSA-N -1 0 379.372 3.565 20 5 GHBDRM CC(C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n(-c2ccccc2)n1 ZINC000514638892 850090736 /nfs/dbraw/zinc/09/07/36/850090736.db2.gz NWXARARSHLHDLW-UHFFFAOYSA-N -1 0 392.462 3.766 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2noc(=N[C@H](c3nccs3)c3ccccc3)[n-]2)cc1 ZINC000486968842 850285881 /nfs/dbraw/zinc/28/58/81/850285881.db2.gz PGGABVGRKCJDJV-HNNXBMFYSA-N -1 0 379.401 3.725 20 5 GHBDRM O=C([O-])c1cnc(N2CCC([C@@H](F)c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000518985302 850456004 /nfs/dbraw/zinc/45/60/04/850456004.db2.gz WYJXIKMNGYPOOB-MRXNPFEDSA-N -1 0 377.347 3.754 20 5 GHBDRM O=C(NCCc1ccc(Br)cc1Cl)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000515008306 850591435 /nfs/dbraw/zinc/59/14/35/850591435.db2.gz ZKVFQSSCNZNTJN-UHFFFAOYSA-N -1 0 399.628 3.689 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(OCC(F)(F)F)cn1 ZINC000434257590 850933820 /nfs/dbraw/zinc/93/38/20/850933820.db2.gz BRTQZUAVRRXQIX-UHFFFAOYSA-N -1 0 391.689 3.542 20 5 GHBDRM O=[N+]([O-])c1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000515635972 851280427 /nfs/dbraw/zinc/28/04/27/851280427.db2.gz UCADTLBWDDXBSD-UHFFFAOYSA-N -1 0 398.387 3.876 20 5 GHBDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)cc1Cl ZINC000473771691 851912818 /nfs/dbraw/zinc/91/28/18/851912818.db2.gz FMGWYETUCSASMP-UHFFFAOYSA-N -1 0 397.840 3.624 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N(Cc1cccc(Br)c1)C1CC1 ZINC000436669265 852168572 /nfs/dbraw/zinc/16/85/72/852168572.db2.gz IXWPSMKTPXKNDG-UHFFFAOYSA-N -1 0 391.221 3.868 20 5 GHBDRM CCCc1noc2nc(C3CC3)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])c12 ZINC000436707218 852225784 /nfs/dbraw/zinc/22/57/84/852225784.db2.gz XCUOKVODYSJXID-UHFFFAOYSA-N -1 0 382.376 3.919 20 5 GHBDRM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc(Br)cc(Cl)c1[O-] ZINC000436760748 852280866 /nfs/dbraw/zinc/28/08/66/852280866.db2.gz FAXJCLVWERWWKS-UHFFFAOYSA-N -1 0 399.628 3.689 20 5 GHBDRM CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])n2)cc1 ZINC000436751288 852295059 /nfs/dbraw/zinc/29/50/59/852295059.db2.gz JXQOHGZYFJFVSD-UHFFFAOYSA-N -1 0 398.400 3.635 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000436836581 852387158 /nfs/dbraw/zinc/38/71/58/852387158.db2.gz ZUMZJAQAWAMCJJ-GFCCVEGCSA-N -1 0 380.322 3.949 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000436836582 852387287 /nfs/dbraw/zinc/38/72/87/852387287.db2.gz ZUMZJAQAWAMCJJ-LBPRGKRZSA-N -1 0 380.322 3.949 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000436845038 852409780 /nfs/dbraw/zinc/40/97/80/852409780.db2.gz IANISJHLFRSBBG-CYBMUJFWSA-N -1 0 378.837 3.961 20 5 GHBDRM CCN(CC)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1Cl ZINC000436859863 852422243 /nfs/dbraw/zinc/42/22/43/852422243.db2.gz MJHKISJOODXGEW-UHFFFAOYSA-N -1 0 391.811 3.688 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000516345120 852447848 /nfs/dbraw/zinc/44/78/48/852447848.db2.gz XAFUOORTBNJIMC-CYBMUJFWSA-N -1 0 394.758 3.830 20 5 GHBDRM O=C(Nc1cccc(CSC2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436961526 852533759 /nfs/dbraw/zinc/53/37/59/852533759.db2.gz BKVMRVGIADJMBR-UHFFFAOYSA-N -1 0 388.445 3.965 20 5 GHBDRM CCCc1c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1ccc(C)cc1 ZINC000436950729 852540433 /nfs/dbraw/zinc/54/04/33/852540433.db2.gz CHJXNIUEJYDBPW-UHFFFAOYSA-N -1 0 380.404 3.999 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000436974754 852560768 /nfs/dbraw/zinc/56/07/68/852560768.db2.gz BIWBWPZXXARDTK-AWEZNQCLSA-N -1 0 386.795 3.807 20 5 GHBDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000732614284 862393624 /nfs/dbraw/zinc/39/36/24/862393624.db2.gz WXPCCGXURRAVNF-UHFFFAOYSA-N -1 0 396.424 3.689 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccsc2)c2ccccc2)ccc1[O-] ZINC000509553080 852906004 /nfs/dbraw/zinc/90/60/04/852906004.db2.gz GZNLQPRHFCHVIV-UHFFFAOYSA-N -1 0 390.442 3.757 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ncc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000437340854 853009319 /nfs/dbraw/zinc/00/93/19/853009319.db2.gz KTOBESUVMPPIGQ-UHFFFAOYSA-N -1 0 375.859 3.937 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2cccnc2c1C ZINC000437325294 853010177 /nfs/dbraw/zinc/01/01/77/853010177.db2.gz GNBDWVGAKJWWMS-UHFFFAOYSA-N -1 0 375.381 3.700 20 5 GHBDRM COc1cc(C=C(Cl)c2nc3c(C)cccc3c(=O)[nH]2)cc([N+](=O)[O-])c1[O-] ZINC000229888504 862438214 /nfs/dbraw/zinc/43/82/14/862438214.db2.gz AHBALNZIAGDSHT-WUXMJOGZSA-N -1 0 387.779 3.591 20 5 GHBDRM C[C@@H](NC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000572318906 854461226 /nfs/dbraw/zinc/46/12/26/854461226.db2.gz SNBQZGGEQLIFFS-GFCCVEGCSA-N -1 0 391.811 3.606 20 5 GHBDRM O=C(CCc1nnc(-c2ccccc2)o1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000186063861 862640571 /nfs/dbraw/zinc/64/05/71/862640571.db2.gz IMMUCVQGRSTFQM-UHFFFAOYSA-N -1 0 388.767 3.575 20 5 GHBDRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000554028634 855766274 /nfs/dbraw/zinc/76/62/74/855766274.db2.gz VGQLEYJOWMLSIR-UHFFFAOYSA-N -1 0 377.715 3.599 20 5 GHBDRM Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164353420 862785407 /nfs/dbraw/zinc/78/54/07/862785407.db2.gz HFNXNZVUHILUAJ-UHFFFAOYSA-N -1 0 394.431 3.684 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)ccc1[N+](=O)[O-] ZINC000427646554 856431983 /nfs/dbraw/zinc/43/19/83/856431983.db2.gz RUMLCWUTVBJMQL-UHFFFAOYSA-N -1 0 399.428 3.775 20 5 GHBDRM CCc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000507837935 856516108 /nfs/dbraw/zinc/51/61/08/856516108.db2.gz PRILLUSBDZSQCH-CQSZACIVSA-N -1 0 396.852 3.613 20 5 GHBDRM O=C(N=c1ccc(C2CC2)n[n-]1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485462911 856604464 /nfs/dbraw/zinc/60/44/64/856604464.db2.gz GRSXPYNDPIEVON-UHFFFAOYSA-N -1 0 390.399 3.515 20 5 GHBDRM O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164451372 862820798 /nfs/dbraw/zinc/82/07/98/862820798.db2.gz SKUVNPKIKALUOY-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM CCC[C@H](NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1)c1nnn[n-]1 ZINC000467652747 856664423 /nfs/dbraw/zinc/66/44/23/856664423.db2.gz GHKQXHURCCWRRE-ZDUSSCGKSA-N -1 0 392.485 3.517 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ncc(-c2cccnc2)s1 ZINC000508067743 856854818 /nfs/dbraw/zinc/85/48/18/856854818.db2.gz KKXMEVLKUWDURJ-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000592993195 857178249 /nfs/dbraw/zinc/17/82/49/857178249.db2.gz ZATGSQAWADLWGV-UHFFFAOYSA-N -1 0 399.837 3.667 20 5 GHBDRM COc1cc(-c2noc(-c3cc([O-])cc([N+](=O)[O-])c3)n2)cc(Cl)c1OC ZINC000486062522 857379035 /nfs/dbraw/zinc/37/90/35/857379035.db2.gz LSYYXSLRSZIKSK-UHFFFAOYSA-N -1 0 377.740 3.688 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1-c1ccccc1Cl ZINC000442251735 857655958 /nfs/dbraw/zinc/65/59/58/857655958.db2.gz NKYVLXLXQHSGPI-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM COCc1nc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c(-c2ccccc2)s1 ZINC000442846340 858165052 /nfs/dbraw/zinc/16/50/52/858165052.db2.gz YZDFBOZKTPXNBY-UHFFFAOYSA-N -1 0 399.428 3.500 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)s1 ZINC000129824416 858181928 /nfs/dbraw/zinc/18/19/28/858181928.db2.gz ZQSLEVSUUJSIAU-UHFFFAOYSA-N -1 0 377.241 3.528 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(Br)c2)cc1C ZINC000314121019 858402112 /nfs/dbraw/zinc/40/21/12/858402112.db2.gz PBXNIMSLCARNGW-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H]2CCCC[C@H]12 ZINC000595246067 858451423 /nfs/dbraw/zinc/45/14/23/858451423.db2.gz VCYKOHDLXATONH-KFWWJZLASA-N -1 0 388.445 3.915 20 5 GHBDRM CC(C)CCN1Cc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)c2C1 ZINC000543148206 858641550 /nfs/dbraw/zinc/64/15/50/858641550.db2.gz KUTXJUSSXNDCHO-UHFFFAOYSA-N -1 0 395.506 3.819 20 5 GHBDRM Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000509386446 859271380 /nfs/dbraw/zinc/27/13/80/859271380.db2.gz KXRXDKJLIBGBCW-UHFFFAOYSA-N -1 0 395.746 3.771 20 5 GHBDRM CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000483441392 859377009 /nfs/dbraw/zinc/37/70/09/859377009.db2.gz OKRNCAAWPBNYNP-HZUKXOBISA-N -1 0 398.415 3.765 20 5 GHBDRM Cc1c(Br)c(NC[C@@](C)(C(=O)[O-])c2ccccc2)ncc1[N+](=O)[O-] ZINC000593327949 859424155 /nfs/dbraw/zinc/42/41/55/859424155.db2.gz TZZXIYLDANTRMZ-MRXNPFEDSA-N -1 0 394.225 3.515 20 5 GHBDRM C[C@H](NC(=O)[O-])C1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000739010289 859540672 /nfs/dbraw/zinc/54/06/72/859540672.db2.gz SRBPLCGWBUUIOR-AWEZNQCLSA-N -1 0 377.444 3.896 20 5 GHBDRM CC[C@@H](C)Oc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1 ZINC000499178805 881438906 /nfs/dbraw/zinc/43/89/06/881438906.db2.gz WXOGGDGGWONDRY-GFCCVEGCSA-N -1 0 380.422 3.587 20 5 GHBDRM CC[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])Oc1cccc(C(F)(F)F)c1 ZINC000552076995 859721450 /nfs/dbraw/zinc/72/14/50/859721450.db2.gz QWVUQOCWUIXYMR-ZDUSSCGKSA-N -1 0 398.337 3.907 20 5 GHBDRM CCC[C@H]1CCc2nc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])sc2C1 ZINC000727252900 860005361 /nfs/dbraw/zinc/00/53/61/860005361.db2.gz SQCIOFBHGAGPMK-JTQLQIEISA-N -1 0 399.469 3.896 20 5 GHBDRM CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000727361469 860054060 /nfs/dbraw/zinc/05/40/60/860054060.db2.gz NHHVIANUQJQZQG-UHFFFAOYSA-N -1 0 388.804 3.975 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)c(Cl)c1 ZINC000727720115 860201358 /nfs/dbraw/zinc/20/13/58/860201358.db2.gz GGOODDVABNSNQU-UHFFFAOYSA-N -1 0 377.809 3.840 20 5 GHBDRM O=C([O-])[C@H]1CC[C@@H](c2ccccc2)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000598660056 860476940 /nfs/dbraw/zinc/47/69/40/860476940.db2.gz MDIQWLHNNNSUTC-DLBZAZTESA-N -1 0 388.807 3.608 20 5 GHBDRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000598661889 860478738 /nfs/dbraw/zinc/47/87/38/860478738.db2.gz NYYBBXOSHJKMFT-ROUUACIJSA-N -1 0 395.415 3.600 20 5 GHBDRM CCSc1cccc(F)c1[N-]C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000484933714 860516081 /nfs/dbraw/zinc/51/60/81/860516081.db2.gz ICQPTWNHBTUPLH-UHFFFAOYSA-N -1 0 387.396 3.679 20 5 GHBDRM O=C(Nc1ccccc1)c1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000185679243 860992549 /nfs/dbraw/zinc/99/25/49/860992549.db2.gz HIWODLRXEFAMCV-UHFFFAOYSA-N -1 0 377.356 3.805 20 5 GHBDRM COc1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1OC ZINC000593733482 861082503 /nfs/dbraw/zinc/08/25/03/861082503.db2.gz UUVWKRYOEKCIMT-MRXNPFEDSA-N -1 0 386.404 3.647 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(Oc3ccc(F)cc3F)CC2)c1 ZINC000593740481 861151126 /nfs/dbraw/zinc/15/11/26/861151126.db2.gz NOUBSVDFZSIFAH-UHFFFAOYSA-N -1 0 392.358 3.615 20 5 GHBDRM O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160133058 863339597 /nfs/dbraw/zinc/33/95/97/863339597.db2.gz WOCZHQMCPPAJMG-UHFFFAOYSA-N -1 0 397.431 3.749 20 5 GHBDRM O=C([O-])CN(CC1CC1)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000593923015 863375372 /nfs/dbraw/zinc/37/53/72/863375372.db2.gz PNMRFJBOULAHMR-UHFFFAOYSA-N -1 0 378.450 3.566 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000120720702 881742131 /nfs/dbraw/zinc/74/21/31/881742131.db2.gz SQTQWZQKRXGYCB-INIZCTEOSA-N -1 0 396.321 3.533 20 5 GHBDRM CCCCn1ncc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C(C)C ZINC000480201190 864253092 /nfs/dbraw/zinc/25/30/92/864253092.db2.gz PDMWBUWJCGYWKO-UHFFFAOYSA-N -1 0 380.470 3.824 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)c1[N+](=O)[O-] ZINC000480227874 864302090 /nfs/dbraw/zinc/30/20/90/864302090.db2.gz NFWCJIKICLVHPW-UHFFFAOYSA-N -1 0 388.449 3.943 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2nc3c(cc(C)cc3C)s2)ccc1[N+](=O)[O-] ZINC000121277038 864979416 /nfs/dbraw/zinc/97/94/16/864979416.db2.gz MILAZARCJFORDR-UHFFFAOYSA-N -1 0 393.446 3.631 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)ccc1N1CCCCC1 ZINC000608886609 865816691 /nfs/dbraw/zinc/81/66/91/865816691.db2.gz BQKWGPZZSDSONN-UHFFFAOYSA-N -1 0 393.440 3.833 20 5 GHBDRM CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000555315582 865866379 /nfs/dbraw/zinc/86/63/79/865866379.db2.gz LHEJVUFZZZBSJB-IRXDYDNUSA-N -1 0 383.231 3.697 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000519890471 865877778 /nfs/dbraw/zinc/87/77/78/865877778.db2.gz BJFAGDBZYRKKMQ-ZBFHGGJFSA-N -1 0 378.425 3.739 20 5 GHBDRM CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000608955692 865880340 /nfs/dbraw/zinc/88/03/40/865880340.db2.gz BWAUOSCQPWEENV-UHFFFAOYSA-N -1 0 388.804 3.975 20 5 GHBDRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000183347679 866638561 /nfs/dbraw/zinc/63/85/61/866638561.db2.gz IKNRUEHSOOVKSC-UHFFFAOYSA-N -1 0 387.417 3.976 20 5 GHBDRM C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000534427618 866742871 /nfs/dbraw/zinc/74/28/71/866742871.db2.gz CDZQJQFIYXRYMR-VIFPVBQESA-N -1 0 397.200 3.563 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1[N+](=O)[O-] ZINC000742029714 867017058 /nfs/dbraw/zinc/01/70/58/867017058.db2.gz NGRFNHTZPSBQRU-UHFFFAOYSA-N -1 0 380.397 3.632 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000742032089 867020201 /nfs/dbraw/zinc/02/02/01/867020201.db2.gz LETCBDRJWFAFRB-UHFFFAOYSA-N -1 0 392.330 3.948 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000523730528 867860361 /nfs/dbraw/zinc/86/03/61/867860361.db2.gz ZYPWOYOYQUGJIK-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM C[C@H]1CCCN1C(=O)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)cc1 ZINC000445226711 868019686 /nfs/dbraw/zinc/01/96/86/868019686.db2.gz DBFKRFHXOBCPNG-LBPRGKRZSA-N -1 0 394.387 3.642 20 5 GHBDRM COc1ccnc2c([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cccc12 ZINC000535054556 868045681 /nfs/dbraw/zinc/04/56/81/868045681.db2.gz INNLZQLYZYPUES-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM CCCCCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000744041677 868566411 /nfs/dbraw/zinc/56/64/11/868566411.db2.gz XNQVAIHNDJGMDB-QGZVFWFLSA-N -1 0 388.461 3.926 20 5 GHBDRM CC(C)(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F 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ZKDQXQUSROEADU-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]c3c2cccc3Cl)c(Cl)c1 ZINC000153431797 871733613 /nfs/dbraw/zinc/73/36/13/871733613.db2.gz AOQKVWYBQSGIAY-UHFFFAOYSA-N -1 0 387.204 3.579 20 5 GHBDRM CCCc1c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cnn1-c1cccc(F)c1 ZINC000182171404 871938762 /nfs/dbraw/zinc/93/87/62/871938762.db2.gz KPRVWXBHTBZSAG-UHFFFAOYSA-N -1 0 384.367 3.830 20 5 GHBDRM Cc1cc2sc([N-]S(=O)(=O)CCc3ccccc3[N+](=O)[O-])nc2c(C)c1 ZINC000540696318 871966770 /nfs/dbraw/zinc/96/67/70/871966770.db2.gz LECFIWHVNOBXIU-UHFFFAOYSA-N -1 0 391.474 3.806 20 5 GHBDRM O=C(Nc1ccccc1)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000552140461 872089038 /nfs/dbraw/zinc/08/90/38/872089038.db2.gz IFYDLCWBMZDYED-UHFFFAOYSA-N -1 0 377.356 3.805 20 5 GHBDRM O=C([O-])/C=C\c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 ZINC000767090655 872259765 /nfs/dbraw/zinc/25/97/65/872259765.db2.gz IDXVIAHLWLGCGB-YHYXMXQVSA-N -1 0 381.388 3.545 20 5 GHBDRM 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873801984 /nfs/dbraw/zinc/80/19/84/873801984.db2.gz CYMOEHAQPSTBCL-UHFFFAOYSA-N -1 0 398.853 3.647 20 5 GHBDRM Cc1cc(F)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000770476298 874721622 /nfs/dbraw/zinc/72/16/22/874721622.db2.gz DDFQLJPZBKWAFS-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000550941445 882862169 /nfs/dbraw/zinc/86/21/69/882862169.db2.gz NHXMHRSHLBIFOT-NEPJUHHUSA-N -1 0 382.294 3.941 20 5 GHBDRM CCc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446986340 876735291 /nfs/dbraw/zinc/73/52/91/876735291.db2.gz FWRRBPDCIVMKRT-UHFFFAOYSA-N -1 0 385.239 3.721 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc(CCC(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000786898763 877017063 /nfs/dbraw/zinc/01/70/63/877017063.db2.gz VHGHANLJECHIMV-UHFFFAOYSA-N -1 0 386.861 3.669 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2SCC(F)F)cc1 ZINC000609984971 877249422 /nfs/dbraw/zinc/24/94/22/877249422.db2.gz MJVHAJPJSDSXED-UHFFFAOYSA-N -1 0 392.380 3.892 20 5 GHBDRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NC(C)C)c1 ZINC000451095285 877361929 /nfs/dbraw/zinc/36/19/29/877361929.db2.gz KGHNIMASASYYEM-UHFFFAOYSA-N -1 0 391.449 3.809 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN(Cc2ccccc2)c2ccccc21 ZINC000477609550 877925690 /nfs/dbraw/zinc/92/56/90/877925690.db2.gz VYQDHXBZUVAXCW-UHFFFAOYSA-N -1 0 389.411 3.967 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc1C ZINC000180161166 878623978 /nfs/dbraw/zinc/62/39/78/878623978.db2.gz HAEKMPSIDCGJLI-UHFFFAOYSA-N -1 0 379.394 3.537 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n(-c2ccccc2)n1 ZINC000493207461 878781806 /nfs/dbraw/zinc/78/18/06/878781806.db2.gz CYGIDFKGCNZNPC-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000776679652 879064808 /nfs/dbraw/zinc/06/48/08/879064808.db2.gz WRZYZIXPQMZCMD-HNNXBMFYSA-N -1 0 376.796 3.756 20 5 GHBDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c([N+](=O)[O-])c1 ZINC000461113052 879189634 /nfs/dbraw/zinc/18/96/34/879189634.db2.gz OJTQREZWKQEFIV-UHFFFAOYSA-N -1 0 396.368 3.875 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000616960206 879269374 /nfs/dbraw/zinc/26/93/74/879269374.db2.gz OOHPSJWIQTVXKN-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM O=C(Nc1nc(Cl)ccc1[O-])c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000790048432 879427265 /nfs/dbraw/zinc/42/72/65/879427265.db2.gz QWDRAAHTOCDYQG-UHFFFAOYSA-N -1 0 376.781 3.725 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)c1[N+](=O)[O-] ZINC000790388244 879659712 /nfs/dbraw/zinc/65/97/12/879659712.db2.gz YQXIHZFTBDJYQG-UHFFFAOYSA-N -1 0 390.248 3.901 20 5 GHBDRM COc1cc(CN=c2[n-]c(C(C)C)no2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538606892 879843475 /nfs/dbraw/zinc/84/34/75/879843475.db2.gz KCSSTVDSKNJVHE-UHFFFAOYSA-N -1 0 398.419 3.723 20 5 GHBDRM COCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1 ZINC000791430658 880431800 /nfs/dbraw/zinc/43/18/00/880431800.db2.gz DDWRJLFPXUEVQF-UHFFFAOYSA-N -1 0 391.232 3.849 20 5 GHBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nc(-c2ccc(F)cc2)ns1 ZINC000791588917 880554432 /nfs/dbraw/zinc/55/44/32/880554432.db2.gz FQAJKKDLXODZFF-UHFFFAOYSA-N -1 0 388.380 3.903 20 5 GHBDRM O=C([O-])c1cc(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000531997296 880866838 /nfs/dbraw/zinc/86/68/38/880866838.db2.gz WDQOYMSPXIECHX-AWEZNQCLSA-N -1 0 382.294 3.717 20 5 GHBDRM Cc1ccc2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3F)c2n1 ZINC000760355798 883994638 /nfs/dbraw/zinc/99/46/38/883994638.db2.gz KNKJXLZDAGJPBD-UHFFFAOYSA-N -1 0 375.381 3.700 20 5 GHBDRM CC(=O)c1ccc(Cl)c(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000191176566 884528122 /nfs/dbraw/zinc/52/81/22/884528122.db2.gz DBFSDMNPDUNDFR-UHFFFAOYSA-N -1 0 382.825 3.868 20 5 GHBDRM O=C([O-])/C=C\c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000914731497 884639122 /nfs/dbraw/zinc/63/91/22/884639122.db2.gz XMVJTIDISDZOOI-YHYXMXQVSA-N -1 0 381.388 3.545 20 5 GHBDRM O=[N+]([O-])c1ccc(OC(F)F)c(CN=c2[n-]nc(CC3CCCCC3)o2)c1 ZINC000537489461 884648615 /nfs/dbraw/zinc/64/86/15/884648615.db2.gz NHLRGVOZWLIOTN-UHFFFAOYSA-N -1 0 382.367 3.736 20 5 GHBDRM O=C(Nc1ccc(OCCc2ccccc2)nc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000498629980 885123516 /nfs/dbraw/zinc/12/35/16/885123516.db2.gz ZADZVJALYHCSNO-UHFFFAOYSA-N -1 0 379.372 3.569 20 5 GHBDRM O=C([O-])[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2ccccc2c1 ZINC000191484702 885196174 /nfs/dbraw/zinc/19/61/74/885196174.db2.gz ZCFFSRHKUUZKJL-KRWDZBQOSA-N -1 0 384.775 3.957 20 5 GHBDRM CC1(C)C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C(C)(C)O1 ZINC000537564826 885397395 /nfs/dbraw/zinc/39/73/95/885397395.db2.gz JXXIIYNRAORZSQ-NSHDSACASA-N -1 0 397.280 3.526 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cs1 ZINC000808125470 885998340 /nfs/dbraw/zinc/99/83/40/885998340.db2.gz AIEFHQPXPODSNZ-UHFFFAOYSA-N -1 0 377.403 3.644 20 5 GHBDRM O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000193436295 886169010 /nfs/dbraw/zinc/16/90/10/886169010.db2.gz USANSQLTQWTQDH-CYBMUJFWSA-N -1 0 382.203 3.980 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2noc3cc(Cl)ccc32)ccc1Cl ZINC000808568056 886517669 /nfs/dbraw/zinc/51/76/69/886517669.db2.gz DECBPMAGHPRNDJ-UHFFFAOYSA-N -1 0 388.188 3.844 20 5 GHBDRM O=C([O-])C1=CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000864166544 887594136 /nfs/dbraw/zinc/59/41/36/887594136.db2.gz QHBRENQOKCMRCO-LBPRGKRZSA-N -1 0 376.434 3.533 20 5 GHBDRM CN1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)c2cc(Br)ccc21 ZINC000915850969 887697551 /nfs/dbraw/zinc/69/75/51/887697551.db2.gz IKEFHVKSCAZZRZ-SDQBBNPISA-N -1 0 375.178 3.580 20 5 GHBDRM COc1cc(/C=C\c2nc3cc([N+](=O)[O-])ccc3s2)ccc1OCC(=O)[O-] ZINC000916138221 888760441 /nfs/dbraw/zinc/76/04/41/888760441.db2.gz ZIFRPEPPUDLYJW-CLTKARDFSA-N -1 0 386.385 3.847 20 5 GHBDRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000532876000 889137343 /nfs/dbraw/zinc/13/73/43/889137343.db2.gz IPKGMWBMFDEFTA-MRXNPFEDSA-N -1 0 397.431 3.534 20 5 GHBDRM O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000811546802 889729950 /nfs/dbraw/zinc/72/99/50/889729950.db2.gz ITRAWZXBKYHEIT-VQTJNVASSA-N -1 0 378.384 3.505 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000811722243 889920774 /nfs/dbraw/zinc/92/07/74/889920774.db2.gz FOVJMVQKYHHGKI-UHFFFAOYSA-N -1 0 376.221 3.660 20 5 GHBDRM Cc1ncc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Nc2ccccc2)s1 ZINC000533165858 889927100 /nfs/dbraw/zinc/92/71/00/889927100.db2.gz YKPVREIDWPEDBA-UHFFFAOYSA-N -1 0 390.446 3.904 20 5 GHBDRM O=C([N-]CC(F)(F)c1cc(F)cc(F)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001133031991 890039066 /nfs/dbraw/zinc/03/90/66/890039066.db2.gz XDQNQRKQXZJYIV-UHFFFAOYSA-N -1 0 392.255 3.873 20 5 GHBDRM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813580718 891762890 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394.412 3.735 20 5 GHBDRM Cc1c(C(=O)N[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000537368290 894840714 /nfs/dbraw/zinc/84/07/14/894840714.db2.gz MMFPYRAOXMUTAH-AWEZNQCLSA-N -1 0 397.214 3.636 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1Br ZINC000760340163 895225771 /nfs/dbraw/zinc/22/57/71/895225771.db2.gz XCFQYOOHGWTIIH-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000565135540 895415226 /nfs/dbraw/zinc/41/52/26/895415226.db2.gz XZGVNOQNGVCAAI-INIZCTEOSA-N -1 0 378.837 3.961 20 5 GHBDRM CCOc1cc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])ccc1OC(F)F ZINC000567475358 897188184 /nfs/dbraw/zinc/18/81/84/897188184.db2.gz HUHUKOYGLFHHOB-UHFFFAOYSA-N -1 0 396.346 3.834 20 5 GHBDRM Cc1c(F)cccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000130885694 897245901 /nfs/dbraw/zinc/24/59/01/897245901.db2.gz WQCKLYWFYYVWTA-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1Cl ZINC000821135159 897733895 /nfs/dbraw/zinc/73/38/95/897733895.db2.gz MAEZZQZUFQBTBP-UHFFFAOYSA-N -1 0 383.159 3.981 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccc2O)c1Cl ZINC000821185050 897751797 /nfs/dbraw/zinc/75/17/97/897751797.db2.gz JLGVQMQLXZAVCB-UHFFFAOYSA-N -1 0 381.168 3.547 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(Cl)c1OCC(F)F ZINC000569382461 898597925 /nfs/dbraw/zinc/59/79/25/898597925.db2.gz QKLYRHFBWLHKAZ-UHFFFAOYSA-N -1 0 392.767 3.693 20 5 GHBDRM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000800149158 898666216 /nfs/dbraw/zinc/66/62/16/898666216.db2.gz OCVRIEAIOUAJDC-UHFFFAOYSA-N -1 0 383.335 3.885 20 5 GHBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC[C@H]1C(=O)[O-] ZINC000823341223 898973826 /nfs/dbraw/zinc/97/38/26/898973826.db2.gz UPZRAPSXHYHGMR-SWLSCSKDSA-N -1 0 392.477 3.812 20 5 GHBDRM COCc1ccc([C@H]2CCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000570215518 899200939 /nfs/dbraw/zinc/20/09/39/899200939.db2.gz IEZHGTHSKITXSF-CYBMUJFWSA-N -1 0 380.784 3.671 20 5 GHBDRM Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2cccc([N+](=O)[O-])c2[O-])n1 ZINC001137206598 899593359 /nfs/dbraw/zinc/59/33/59/899593359.db2.gz YZEBCFADLWTSIH-UHFFFAOYSA-N -1 0 392.415 3.550 20 5 GHBDRM O=C([O-])[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000600873754 903033102 /nfs/dbraw/zinc/03/31/02/903033102.db2.gz DEGZVKHPRNNUED-CYBMUJFWSA-N -1 0 388.342 3.625 20 5 GHBDRM Cc1cc(N2CCC[C@@H](c3ncc4n3CCCC4)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000577876002 903299880 /nfs/dbraw/zinc/29/98/80/903299880.db2.gz JATNZIDWXZLMLW-CQSZACIVSA-N -1 0 384.436 3.518 20 5 GHBDRM CCOc1cc(N2CCC(c3nc(C(=O)[O-])cs3)CC2)ccc1[N+](=O)[O-] ZINC000579597816 904728174 /nfs/dbraw/zinc/72/81/74/904728174.db2.gz GDUCRHOIKJBBAE-UHFFFAOYSA-N -1 0 377.422 3.532 20 5 GHBDRM Cc1c([N-]c2nc3sccn3c2[N+](=O)[O-])cnn1-c1ccc(F)cc1F ZINC001186881854 914851660 /nfs/dbraw/zinc/85/16/60/914851660.db2.gz WMZSYZJQBLCCOS-UHFFFAOYSA-N -1 0 376.348 3.820 20 5 GHBDRM COC(=O)c1cc(Br)c([O-])c(Nc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC001176363677 908079256 /nfs/dbraw/zinc/07/92/56/908079256.db2.gz RQHGIMWKGYOZAE-UHFFFAOYSA-N -1 0 397.181 3.602 20 5 GHBDRM O=C([O-])c1cc(Nc2ccc3c(c2Br)C(=O)CC3)cc([N+](=O)[O-])c1 ZINC001176680365 908207671 /nfs/dbraw/zinc/20/76/71/908207671.db2.gz QZNWDHGNHUOUIO-UHFFFAOYSA-N -1 0 391.177 3.928 20 5 GHBDRM Cc1ccccc1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795276949 909656122 /nfs/dbraw/zinc/65/61/22/909656122.db2.gz FHJDUQSIBNARNG-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM CC[C@@](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795540341 911042200 /nfs/dbraw/zinc/04/22/00/911042200.db2.gz ALZBMFZWBLPBTG-RSSRPAAFSA-N -1 0 388.807 3.768 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCO[C@H](c2cccc(Br)c2)C1 ZINC000092591866 911635737 /nfs/dbraw/zinc/63/57/37/911635737.db2.gz BAAQYGRDEGEYSF-KRWDZBQOSA-N -1 0 393.237 3.636 20 5 GHBDRM O=C(Nc1nnc(-c2ccsc2)s1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001182541552 911862987 /nfs/dbraw/zinc/86/29/87/911862987.db2.gz VJNCCKMYQAHEGJ-UHFFFAOYSA-N -1 0 382.810 3.786 20 5 GHBDRM C[C@H](c1ccccc1)N(CC1CCC1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001187156318 915035007 /nfs/dbraw/zinc/03/50/07/915035007.db2.gz LTYDIXIMXSGFFH-CQSZACIVSA-N -1 0 390.461 3.852 20 5 GHBDRM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccccc1F ZINC001191896772 918287376 /nfs/dbraw/zinc/28/73/76/918287376.db2.gz SKIJXYIASCBBRG-CYBMUJFWSA-N -1 0 390.795 3.956 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000119123523 919605456 /nfs/dbraw/zinc/60/54/56/919605456.db2.gz UVUBNHDLQHPFEM-MRXNPFEDSA-N -1 0 396.321 3.533 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000119273503 919615161 /nfs/dbraw/zinc/61/51/61/919615161.db2.gz RVOHKBQIIVYLJF-CYBMUJFWSA-N -1 0 387.461 3.656 20 5 GHBDRM CCC[C@@H](C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000119960103 919672513 /nfs/dbraw/zinc/67/25/13/919672513.db2.gz GWCNGNPFANLBBK-CYBMUJFWSA-N -1 0 396.852 3.637 20 5 GHBDRM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1 ZINC000749188034 924468513 /nfs/dbraw/zinc/46/85/13/924468513.db2.gz ANVBRLVLQPSNPX-UHFFFAOYSA-N -1 0 392.824 3.748 20 5 GHBDRM O=C(N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1cccc(F)c1[O-] ZINC001276046587 924823697 /nfs/dbraw/zinc/82/36/97/924823697.db2.gz XPXWRTJTWKOZFB-ZDUSSCGKSA-N -1 0 376.237 3.612 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CC[C@@H](C)c2ccccc2)cc([N+](=O)[O-])c1C ZINC000750313156 927548786 /nfs/dbraw/zinc/54/87/86/927548786.db2.gz NQJINEFNFDQQNW-CYBMUJFWSA-N -1 0 390.461 3.600 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000751546543 928241398 /nfs/dbraw/zinc/24/13/98/928241398.db2.gz OUHIIUZXLPQUFD-UHFFFAOYSA-N -1 0 386.385 3.555 20 5 GHBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 ZINC000752862097 929059185 /nfs/dbraw/zinc/05/91/85/929059185.db2.gz YHKXMIKYAJUEMX-UHFFFAOYSA-N -1 0 390.389 3.724 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1[N+](=O)[O-] ZINC000753066772 929187781 /nfs/dbraw/zinc/18/77/81/929187781.db2.gz VAEWHGPISUFYIE-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000753545724 929404387 /nfs/dbraw/zinc/40/43/87/929404387.db2.gz FOOAQQLVELXJMP-HAQNSBGRSA-N -1 0 388.873 3.516 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)C2(CC(C)C)CCC2)cc1[N+](=O)[O-] ZINC000757298936 929687094 /nfs/dbraw/zinc/68/70/94/929687094.db2.gz YCTLOBBWAIBWDQ-UHFFFAOYSA-N -1 0 388.873 3.578 20 5 GHBDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)n2)c1 ZINC000469508969 929952181 /nfs/dbraw/zinc/95/21/81/929952181.db2.gz RWBKHKUMCNJQBL-UHFFFAOYSA-N -1 0 392.415 3.812 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000759677192 930449252 /nfs/dbraw/zinc/44/92/52/930449252.db2.gz FQYCTSDQTVVVCN-UHFFFAOYSA-N -1 0 396.730 3.790 20 5 GHBDRM COC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)cc1 ZINC000783816458 931666379 /nfs/dbraw/zinc/66/63/79/931666379.db2.gz MKTANOMIYOWRSI-UHFFFAOYSA-N -1 0 399.812 3.536 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)nn1C1CCCCC1 ZINC000558593065 932093469 /nfs/dbraw/zinc/09/34/69/932093469.db2.gz PGILZSVDFBYWLV-UHFFFAOYSA-N -1 0 378.454 3.714 20 5 GHBDRM O=C(Nc1ccc(OC(=O)c2cccc([O-])c2[N+](=O)[O-])cc1)c1ccccc1 ZINC000798277804 932591008 /nfs/dbraw/zinc/59/10/08/932591008.db2.gz ZYQNIQNTEYXDIG-UHFFFAOYSA-N -1 0 378.340 3.772 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc([C@@H]2CCOC2)cc1 ZINC000830008674 935889373 /nfs/dbraw/zinc/88/93/73/935889373.db2.gz GSEHTFOHKFNLFX-GFCCVEGCSA-N -1 0 382.825 3.553 20 5 GHBDRM CCOc1cc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c([N+](=O)[O-])cc1OCC ZINC001592211123 951312118 /nfs/dbraw/zinc/31/21/18/951312118.db2.gz IOAFOJMZGJMJAL-UHFFFAOYSA-N -1 0 388.376 3.651 20 5 GHBDRM O=C([O-])[C@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 ZINC001594728487 957024722 /nfs/dbraw/zinc/02/47/22/957024722.db2.gz ZCJFXUBAADIYGB-KBPBESRZSA-N -1 0 394.305 3.657 20 5 GHBDRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 ZINC001594728490 957025105 /nfs/dbraw/zinc/02/51/05/957025105.db2.gz ZCJFXUBAADIYGB-ZIAGYGMSSA-N -1 0 394.305 3.657 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)ccn1 ZINC001574791124 957810577 /nfs/dbraw/zinc/81/05/77/957810577.db2.gz JZPREWZYVSKUAS-UHFFFAOYSA-N -1 0 392.371 3.552 20 5 GHBDRM O=C([O-])C1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 ZINC001574658138 962484432 /nfs/dbraw/zinc/48/44/32/962484432.db2.gz VFDBBJJHXOUARJ-UHFFFAOYSA-N -1 0 392.820 3.556 20 5 GHBDRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001574692291 962647778 /nfs/dbraw/zinc/64/77/78/962647778.db2.gz NOHMYSKETJDFTR-OAHLLOKOSA-N -1 0 378.428 3.541 20 5 GHBDRM CC(C)Oc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c(C(=O)[O-])c1 ZINC001591788122 975967474 /nfs/dbraw/zinc/96/74/74/975967474.db2.gz NJJMGKDIAVBDJL-UHFFFAOYSA-N -1 0 383.360 3.814 20 5 GHBDRM CC(C)Oc1ccc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC001591788143 975967551 /nfs/dbraw/zinc/96/75/51/975967551.db2.gz OOUZDQXSVWFYBZ-UHFFFAOYSA-N -1 0 393.783 3.568 20 5 GHBDRM CC(C)c1nc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC001592022566 976720731 /nfs/dbraw/zinc/72/07/31/976720731.db2.gz PRMJGBOVMZBJAI-NWDGAFQWSA-N -1 0 375.406 3.615 20 5 GHBDRM CC(C)c1nc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)sc1C(=O)[O-] ZINC001592028365 976726241 /nfs/dbraw/zinc/72/62/41/976726241.db2.gz DDFTUPWSOGIHTJ-NWDGAFQWSA-N -1 0 375.406 3.615 20 5 GHBDRM CNc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000841502507 979305349 /nfs/dbraw/zinc/30/53/49/979305349.db2.gz HKWSRTVMGHHIKO-UHFFFAOYSA-N -1 0 398.419 3.577 20 5 GHBDRM C[C@@](CO)(NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC001592750963 979317790 /nfs/dbraw/zinc/31/77/90/979317790.db2.gz QROYVAWDUXDLLN-NRFANRHFSA-N -1 0 396.399 3.550 20 5 GHBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC001595212166 979996600 /nfs/dbraw/zinc/99/66/00/979996600.db2.gz MDKJNVLGADTYPT-SUMWQHHRSA-N -1 0 375.352 3.672 20 5 GHBDRM CC[C@@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])c1cccc(OC)c1OC ZINC001595323487 980524033 /nfs/dbraw/zinc/52/40/33/980524033.db2.gz VHOKWRNIJKCSGQ-CYBMUJFWSA-N -1 0 375.381 3.577 20 5 GHBDRM CCCN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@H](C)C(=O)[O-] ZINC001595826956 982711610 /nfs/dbraw/zinc/71/16/10/982711610.db2.gz KOARSVJYKRHNLD-CQSZACIVSA-N -1 0 385.420 3.532 20 5 GHBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001589002980 984949208 /nfs/dbraw/zinc/94/92/08/984949208.db2.gz SUMRCBWHXXZVBD-XEDBTPMOSA-N -1 0 386.379 3.644 20 5 GHBDRM CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cc1OCC ZINC001597062141 986552591 /nfs/dbraw/zinc/55/25/91/986552591.db2.gz MTPFEFDSOPEGBE-UHFFFAOYSA-N -1 0 388.376 3.651 20 5 GHBDRM CC/C(=C\C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC001594691384 987091144 /nfs/dbraw/zinc/09/11/44/987091144.db2.gz SKTKWCLOQSLHDN-ZISLFAKRSA-N -1 0 398.415 3.513 20 5 GHBDRM CC(C)(C(=O)[O-])[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001589593227 987407113 /nfs/dbraw/zinc/40/71/13/987407113.db2.gz ZSLJADHUVCHLSV-RCCFBDPRSA-N -1 0 382.416 3.667 20 5 GHBDRM CC(C)(C)C[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1(C)C ZINC001589764691 988106817 /nfs/dbraw/zinc/10/68/17/988106817.db2.gz SGIKFZBAKCBVMH-GFCCVEGCSA-N -1 0 398.481 3.518 20 5 GHBDRM CSc1ccc(NC(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001599819309 988484142 /nfs/dbraw/zinc/48/41/42/988484142.db2.gz UCIQIHBELDFNMM-LLVKDONJSA-N -1 0 389.433 3.940 20 5 GHBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001599822025 988531703 /nfs/dbraw/zinc/53/17/03/988531703.db2.gz BIIDQHWBJMDIDP-HNNXBMFYSA-N -1 0 380.466 3.718 20 5 GHBDRM CCc1nc(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)sc1C(=O)[O-] ZINC001597677883 988794016 /nfs/dbraw/zinc/79/40/16/988794016.db2.gz DLAHEDKBUZYHJP-UHFFFAOYSA-N -1 0 383.813 3.537 20 5 GHBDRM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001590147926 989435853 /nfs/dbraw/zinc/43/58/53/989435853.db2.gz NDOKDLMKPUISDV-QWHCGFSZSA-N -1 0 379.413 3.541 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1[N+](=O)[O-] ZINC001590475275 990048293 /nfs/dbraw/zinc/04/82/93/990048293.db2.gz HTRHIAQIONKGFJ-HNNXBMFYSA-N -1 0 376.453 3.903 20 5 GHBDRM CC(C)C(=O)c1ccc([C@@H](C)C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001590949299 991006327 /nfs/dbraw/zinc/00/63/27/991006327.db2.gz OQRPWNCLKIAEOH-GFCCVEGCSA-N -1 0 385.372 3.841 20 5 GHBDRM CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001590949332 991006556 /nfs/dbraw/zinc/00/65/56/991006556.db2.gz PBORZKBYPHBIPV-LBPRGKRZSA-N -1 0 384.388 3.874 20 5 GHBDRM COc1ccccc1O[C@H](C)CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001599715835 991452923 /nfs/dbraw/zinc/45/29/23/991452923.db2.gz YDIIELKNDCVBDP-SNVBAGLBSA-N -1 0 380.784 3.834 20 5 GHBDRM CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598483094 992181711 /nfs/dbraw/zinc/18/17/11/992181711.db2.gz KUHXRIXUBMGMPF-UHFFFAOYSA-N -1 0 398.394 3.891 20 5 GHBDRM CN(Cc1ccccc1OCc1ccccc1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001598530884 992778410 /nfs/dbraw/zinc/77/84/10/992778410.db2.gz XLPAYWHDVWJMOE-UHFFFAOYSA-N -1 0 393.399 3.903 20 5 GHBDRM C[C@@](NC(=O)c1ccc(-c2ccco2)s1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593157071 993982186 /nfs/dbraw/zinc/98/21/86/993982186.db2.gz VBHAQMHIWHZXRA-SFHVURJKSA-N -1 0 386.385 3.646 20 5 GHBDRM C[C@@](NC(=O)c1ccc(Cl)c(Cl)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593162335 993996631 /nfs/dbraw/zinc/99/66/31/993996631.db2.gz JAVHRHDXCYDQOH-INIZCTEOSA-N -1 0 383.187 3.631 20 5 GHBDRM C[C@H](NC(=O)c1ccc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170869 994028877 /nfs/dbraw/zinc/02/88/77/994028877.db2.gz QDMXYJFHTIQRDU-RZLSGREXSA-N -1 0 389.452 3.569 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001599622065 994097041 /nfs/dbraw/zinc/09/70/41/994097041.db2.gz ONYKVZZJYNYGAE-SFHVURJKSA-N -1 0 394.383 3.702 20 5 GHBDRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC001599649715 994477860 /nfs/dbraw/zinc/47/78/60/994477860.db2.gz SFKQJSLYOGDQLL-GOSISDBHSA-N -1 0 386.404 3.625 20 5 GHBDRM CC1(C)CC(=O)c2cnc(SCc3cc(C(=O)[O-])ccc3[N+](=O)[O-])nc2C1 ZINC001593846888 996611665 /nfs/dbraw/zinc/61/16/65/996611665.db2.gz AJGYTKSOFGOJCF-UHFFFAOYSA-N -1 0 387.417 3.530 20 5 GHBDRM COc1cc(OC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)ccc1C(=O)[O-] ZINC001599448251 998045574 /nfs/dbraw/zinc/04/55/74/998045574.db2.gz VBBXRNWQAGJWIC-UHFFFAOYSA-N -1 0 385.250 3.540 20 5 GHBDRM COc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599355602 998173905 /nfs/dbraw/zinc/17/39/05/998173905.db2.gz CJXMRWUTGZWYPO-UHFFFAOYSA-N -1 0 385.159 3.861 20 5 GHBDRM COc1ccc(CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)cc1C(=O)[O-] ZINC001599574564 998422044 /nfs/dbraw/zinc/42/20/44/998422044.db2.gz IKGBLEGCKGJLCD-UHFFFAOYSA-N -1 0 388.767 3.510 20 5 GHBDRM C[C@@H]1CC[C@](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)(C(=O)[O-])c2ccccc21 ZINC001594317901 999225686 /nfs/dbraw/zinc/22/56/86/999225686.db2.gz DUMCIMNMFKPDDH-JKWAKEATSA-N -1 0 394.427 3.692 20 5 GHBDRM Cn1cc(CN(Cc2ccc(Cl)cc2)Cc2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000559188162 1017389523 /nfs/dbraw/zinc/38/95/23/1017389523.db2.gz WOQFDIPRVMRVJA-UHFFFAOYSA-N -1 0 386.839 3.890 20 5 GHBDRM O=[N+]([O-])c1ccc([C@H](Oc2ccc(-n3nn[n-]c3=S)cc2)C(F)(F)F)cc1 ZINC001228438163 1032936465 /nfs/dbraw/zinc/93/64/65/1032936465.db2.gz LNTBBGJPQIZHKM-ZDUSSCGKSA-N -1 0 397.338 3.542 20 5 GHBDRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1C ZINC000795343432 1021032317 /nfs/dbraw/zinc/03/23/17/1021032317.db2.gz KYUWPQKXOPXANI-QMMMGPOBSA-N -1 0 390.824 3.664 20 5 GHBDRM Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000800844570 1021342025 /nfs/dbraw/zinc/34/20/25/1021342025.db2.gz CDBZOBGDWUWISW-UHFFFAOYSA-N -1 0 395.746 3.771 20 5 GHBDRM O=c1[n-]c(C2CC2)nc(O[C@@H]2CCc3c2cccc3Br)c1[N+](=O)[O-] ZINC001228604276 1033002200 /nfs/dbraw/zinc/00/22/00/1033002200.db2.gz QFBJRYHXXQDHOH-GFCCVEGCSA-N -1 0 392.209 3.797 20 5 GHBDRM CCC1(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 ZINC000835533906 1022225048 /nfs/dbraw/zinc/22/50/48/1022225048.db2.gz QARHYTGLGNUMLI-UHFFFAOYSA-N -1 0 398.506 3.632 20 5 GHBDRM Cc1cc2nc3nc(=O)[n-]c(O[C@H](C)c4ccccc4[N+](=O)[O-])c3nc2cc1C ZINC001228687166 1033045076 /nfs/dbraw/zinc/04/50/76/1033045076.db2.gz SZHIEBQBWNRXDO-GFCCVEGCSA-N -1 0 391.387 3.944 20 5 GHBDRM CC(C)(C)c1ccc(N2CCC(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)cc1 ZINC000755136387 1023090077 /nfs/dbraw/zinc/09/00/77/1023090077.db2.gz AIQFRDMBXNBLHF-UHFFFAOYSA-N -1 0 397.475 3.997 20 5 GHBDRM CC(C)Oc1cc(COc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])cnc1F ZINC001228859954 1033143371 /nfs/dbraw/zinc/14/33/71/1033143371.db2.gz OOSIXBWLXAFXBT-UHFFFAOYSA-N -1 0 391.277 3.615 20 5 GHBDRM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831122052 1024368180 /nfs/dbraw/zinc/36/81/80/1024368180.db2.gz ZRQJCECNCNOOFV-RXMQYKEDSA-N -1 0 381.159 3.521 20 5 GHBDRM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837486691 1024496539 /nfs/dbraw/zinc/49/65/39/1024496539.db2.gz DDMVJQGOJURDNL-LBPRGKRZSA-N -1 0 384.392 3.682 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c1Cl ZINC000832186494 1025296887 /nfs/dbraw/zinc/29/68/87/1025296887.db2.gz DWWRRGRSBXEGFZ-ZETCQYMHSA-N -1 0 389.207 3.615 20 5 GHBDRM COC(=O)[C@](C)([N-]c1cc2ccc(Cl)nc2cc1[N+](=O)[O-])C(F)(F)F ZINC001162259738 1025694062 /nfs/dbraw/zinc/69/40/62/1025694062.db2.gz CSZCDQZUYMLTGD-ZDUSSCGKSA-N -1 0 377.706 3.702 20 5 GHBDRM O=C(N[C@H]1CCOc2c(Cl)c(Cl)ccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC001140082661 1026860438 /nfs/dbraw/zinc/86/04/38/1026860438.db2.gz DZGAYVRNORKIFY-LBPRGKRZSA-N -1 0 383.187 3.861 20 5 GHBDRM O=C(Nc1nnc(-c2ccccn2)s1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001142063412 1027998208 /nfs/dbraw/zinc/99/82/08/1027998208.db2.gz RDGRUBFVUPEBNY-UHFFFAOYSA-N -1 0 379.760 3.553 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])c(-c2nc(-c3ccc(OCc4ccccc4)cn3)no2)c1 ZINC001215380330 1029181890 /nfs/dbraw/zinc/18/18/90/1029181890.db2.gz OUWSWBYSCGUCKG-UHFFFAOYSA-N -1 0 390.355 3.991 20 5 GHBDRM CCOCCOc1c(Cl)cccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001142662900 1029225859 /nfs/dbraw/zinc/22/58/59/1029225859.db2.gz UXNMTHXJELPDSI-UHFFFAOYSA-N -1 0 380.784 3.621 20 5 GHBDRM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000842585798 1029396258 /nfs/dbraw/zinc/39/62/58/1029396258.db2.gz FXHJWSIPKNZEDJ-UHFFFAOYSA-N -1 0 391.449 3.666 20 5 GHBDRM COc1cc([N+](=O)[O-])c(-c2nc(-c3cccc(OC(F)(F)F)c3)no2)cc1[O-] ZINC001216343496 1029609968 /nfs/dbraw/zinc/60/99/68/1029609968.db2.gz GXLRXMQYBROQEC-UHFFFAOYSA-N -1 0 397.265 3.925 20 5 GHBDRM COc1cc(Br)cc(-c2noc(-c3ccc([N+](=O)[O-])cc3[O-])n2)c1 ZINC001216558997 1029686232 /nfs/dbraw/zinc/68/62/32/1029686232.db2.gz YCNMESWHVUWIRM-UHFFFAOYSA-N -1 0 392.165 3.789 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1-c1nc(-c2ncccc2OCc2ccccc2)no1 ZINC001216682130 1029729035 /nfs/dbraw/zinc/72/90/35/1029729035.db2.gz GGZPCQJVOGWZKQ-UHFFFAOYSA-N -1 0 390.355 3.991 20 5 GHBDRM COc1ccc(-c2noc(-c3c([O-])cccc3[N+](=O)[O-])n2)c(Cl)c1OC ZINC001216845196 1029959030 /nfs/dbraw/zinc/95/90/30/1029959030.db2.gz BMOLXXRNAUTDKS-UHFFFAOYSA-N -1 0 377.740 3.688 20 5 GHBDRM COc1cc(Br)ccc1-c1noc(-c2c([O-])cccc2[N+](=O)[O-])n1 ZINC001216845656 1029960826 /nfs/dbraw/zinc/96/08/26/1029960826.db2.gz ZVTUDPWAKAYKKM-UHFFFAOYSA-N -1 0 392.165 3.789 20 5 GHBDRM O=[N+]([O-])c1cccc([O-])c1-c1nc(-c2ccc(OCc3ccccc3)cn2)no1 ZINC001216846970 1029961952 /nfs/dbraw/zinc/96/19/52/1029961952.db2.gz IRXQORXFSVAMPL-UHFFFAOYSA-N -1 0 390.355 3.991 20 5 GHBDRM O=c1c(-c2nc(-c3ccc(F)cc3Cl)no2)c[n-]c2ccc([N+](=O)[O-])cc12 ZINC001217439004 1030392902 /nfs/dbraw/zinc/39/29/02/1030392902.db2.gz RYUJUHQJRVFZMH-UHFFFAOYSA-N -1 0 386.726 3.946 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(O)(c1ccccc1)c1ccccc1 ZINC001152449238 1031247729 /nfs/dbraw/zinc/24/77/29/1031247729.db2.gz SOQDDBWKKWNKJY-UHFFFAOYSA-N -1 0 398.802 3.828 20 5 GHBDRM CC[C@@H](Nc1cccnc1Cl)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001152449403 1031247916 /nfs/dbraw/zinc/24/79/16/1031247916.db2.gz ZKRPZLNMNOCCCP-SECBINFHSA-N -1 0 385.207 3.831 20 5 GHBDRM O=C(Cc1csc(COc2ccccc2)n1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001153455013 1031599491 /nfs/dbraw/zinc/59/94/91/1031599491.db2.gz GJCPXTRSPPRBKI-UHFFFAOYSA-N -1 0 385.401 3.517 20 5 GHBDRM CCc1noc(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])c(Cl)c2)n1 ZINC001154096707 1031924983 /nfs/dbraw/zinc/92/49/83/1031924983.db2.gz YRPBGBLENABIPP-UHFFFAOYSA-N -1 0 388.767 3.819 20 5 GHBDRM O=[P@@]([O-])(O)C1(Nc2ccc3ccc4cccnc4c3n2)Cc2ccccc2C1 ZINC001157157413 1033437057 /nfs/dbraw/zinc/43/70/57/1033437057.db2.gz WHIDCTQBYNNXNH-UHFFFAOYSA-N -1 0 391.367 3.868 20 5 GHBDRM CCOC(=O)C[C@H](Oc1ccc2c(c1)oc1cc(O)ccc1c2=O)C(F)(F)F ZINC001229516205 1033533652 /nfs/dbraw/zinc/53/36/52/1033533652.db2.gz IPXIFIZFOPJMOR-INIZCTEOSA-N -1 0 396.317 3.915 20 5 GHBDRM O=c1nc(O[C@@H]2CCc3cc(C(F)(F)F)ccc32)c([N+](=O)[O-])c(Cl)[n-]1 ZINC001231075507 1034380238 /nfs/dbraw/zinc/38/02/38/1034380238.db2.gz DMKJGRWTDAFKRI-SECBINFHSA-N -1 0 375.690 3.829 20 5 GHBDRM O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)cc1[O-] ZINC001231222840 1034469383 /nfs/dbraw/zinc/46/93/83/1034469383.db2.gz BNDHJCASMZRCRE-CYBMUJFWSA-N -1 0 393.783 3.515 20 5 GHBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H]2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)[n-]1 ZINC001231258793 1034489222 /nfs/dbraw/zinc/48/92/22/1034489222.db2.gz CNFUUPZXOUGCBR-KUHUBIRLSA-N -1 0 393.440 3.562 20 5 GHBDRM Cn1c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])nc2cc(Cl)c(Cl)cc21 ZINC001161462284 1035236247 /nfs/dbraw/zinc/23/62/47/1035236247.db2.gz MQDQYSRAICHCCM-UHFFFAOYSA-N -1 0 381.175 3.746 20 5 GHBDRM CSc1cc(F)c(-c2noc(Cc3ccc([O-])c([N+](=O)[O-])c3)n2)cc1F ZINC001247987203 1038526470 /nfs/dbraw/zinc/52/64/70/1038526470.db2.gz LUVOGWHHSZQDCP-UHFFFAOYSA-N -1 0 379.344 3.941 20 5 GHBDRM CC(C)(C)OC(=O)N1CC[C@@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C1 ZINC001233497709 1039391246 /nfs/dbraw/zinc/39/12/46/1039391246.db2.gz HJFTWRRAZOVMAL-SECBINFHSA-N -1 0 382.804 3.513 20 5 GHBDRM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ccc(CC(=O)c2ccc(O)cc2)cc1 ZINC001233942446 1039718004 /nfs/dbraw/zinc/71/80/04/1039718004.db2.gz XPUKQFCAAPSXQI-AWEZNQCLSA-N -1 0 395.415 3.698 20 5 GHBDRM CC[C@@H](O)C(=O)Oc1cc([O-])c(CC=C(C)C)c2oc3c(O)cccc3c(=O)c12 ZINC001234740181 1040266681 /nfs/dbraw/zinc/26/66/81/1040266681.db2.gz GIEXVSKBSNYFKQ-CQSZACIVSA-N -1 0 398.411 3.542 20 5 GHBDRM O=[N+]([O-])c1cc(-c2nnc(Cc3cccc(Cl)c3)o2)c([O-])c([N+](=O)[O-])c1 ZINC001254485025 1040272992 /nfs/dbraw/zinc/27/29/92/1040272992.db2.gz ILCSDBWRLXBTCX-UHFFFAOYSA-N -1 0 376.712 3.503 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1-c1nnc(-c2cc(F)cc(Br)c2)o1 ZINC001255966175 1041446470 /nfs/dbraw/zinc/44/64/70/1041446470.db2.gz LBPIZFQUMSLUEN-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM O=C(NCC1(c2ccc3c(c2)OCO3)CCCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001292077771 1043584448 /nfs/dbraw/zinc/58/44/48/1043584448.db2.gz RKVMPUNWIPHLCF-UHFFFAOYSA-N -1 0 398.415 3.661 20 5 GHBDRM Cc1ccc([C@@H]2C[C@@H]2c2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])o2)cc1 ZINC001257335618 1043966648 /nfs/dbraw/zinc/96/66/48/1043966648.db2.gz SLQZNDFIEUSJHV-STQMWFEESA-N -1 0 382.332 3.838 20 5 GHBDRM CCCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001293673595 1044288678 /nfs/dbraw/zinc/28/86/78/1044288678.db2.gz UCRXQSINNURVKC-DLBZAZTESA-N -1 0 376.453 3.890 20 5 GHBDRM CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])sc2c1CCCC2 ZINC001296533421 1045333755 /nfs/dbraw/zinc/33/37/55/1045333755.db2.gz WZZHBLSDYWEIPS-UHFFFAOYSA-N -1 0 390.417 3.670 20 5 GHBDRM COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(F)c1[O-] ZINC001299046269 1046003291 /nfs/dbraw/zinc/00/32/91/1046003291.db2.gz ALOACZXLPGZFQP-UHFFFAOYSA-N -1 0 384.360 3.569 20 5 GHBDRM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC001299846446 1046065835 /nfs/dbraw/zinc/06/58/35/1046065835.db2.gz QPIIYSZESOKXFQ-JTQLQIEISA-N -1 0 391.811 3.734 20 5 GHBDRM C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001307821386 1049615660 /nfs/dbraw/zinc/61/56/60/1049615660.db2.gz ZKPBAULUILUJJL-LBPRGKRZSA-N -1 0 379.819 3.804 20 5 GHBDRM COc1cnc([C@H]2CCCN2Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[nH]c1=O ZINC001308142806 1049881027 /nfs/dbraw/zinc/88/10/27/1049881027.db2.gz WVWMFLWVEOBIMC-GFCCVEGCSA-N -1 0 399.234 3.743 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]CCc2cc3ccccc3o2)c1 ZINC001309209698 1050475517 /nfs/dbraw/zinc/47/55/17/1050475517.db2.gz OIGCFGTZTCKLAC-UHFFFAOYSA-N -1 0 398.799 3.655 20 5 GHBDRM Cc1ccccc1[C@H](NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C)(C)C ZINC001309273404 1050543594 /nfs/dbraw/zinc/54/35/94/1050543594.db2.gz FQRKJANBJDESED-KRWDZBQOSA-N -1 0 378.450 3.675 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCO[C@H](c3ccc(Cl)s3)C2)c1 ZINC001328746130 1050621110 /nfs/dbraw/zinc/62/11/10/1050621110.db2.gz VFUODRPCSJEGRL-ZDUSSCGKSA-N -1 0 382.825 3.581 20 5 GHBDRM CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001475333240 1050942953 /nfs/dbraw/zinc/94/29/53/1050942953.db2.gz QFCXWKMFQKZJOL-QGZVFWFLSA-N -1 0 397.884 3.579 20 5 GHBDRM O=C(CSc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001319753890 1055445795 /nfs/dbraw/zinc/44/57/95/1055445795.db2.gz NHEMGRJBWZVXMU-UHFFFAOYSA-N -1 0 383.223 3.794 20 5 GHBDRM CCN(C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])[C@H](C)C(C)C ZINC000848100005 1056616582 /nfs/dbraw/zinc/61/65/82/1056616582.db2.gz GXZYIJQLUAIZCK-LLVKDONJSA-N -1 0 380.832 3.646 20 5 GHBDRM COc1cccc2sc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])nc21 ZINC001443131550 1059071531 /nfs/dbraw/zinc/07/15/31/1059071531.db2.gz FOVMLSQDWOACDN-UHFFFAOYSA-N -1 0 379.781 3.824 20 5 GHBDRM CC(C)(NC(=O)c1cccc(Br)c1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001445407875 1059523329 /nfs/dbraw/zinc/52/33/29/1059523329.db2.gz CMVKCZSGBDKHHM-UHFFFAOYSA-N -1 0 379.210 3.728 20 5 GHBDRM COC(=O)c1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c(C)cc1C ZINC001447808740 1060041475 /nfs/dbraw/zinc/04/14/75/1060041475.db2.gz QHWQVXPPYUETTR-UHFFFAOYSA-N -1 0 378.768 3.610 20 5 GHBDRM O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001545852974 1062043840 /nfs/dbraw/zinc/04/38/40/1062043840.db2.gz CPIAWWNBLYIDOA-WBMJQRKESA-N -1 0 390.823 3.852 20 5 GHBDRM Cc1cc(Br)cc2c1CN(Cc1cc([O-])ccc1[N+](=O)[O-])CC2 ZINC001459824970 1064233735 /nfs/dbraw/zinc/23/37/35/1064233735.db2.gz JHMBIYJFJNZEDM-UHFFFAOYSA-N -1 0 377.238 3.930 20 5 GHBDRM Cc1ccc(CN(CC(C)C)S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C)c1 ZINC001463944973 1064732979 /nfs/dbraw/zinc/73/29/79/1064732979.db2.gz ZVDYDMQYDGMRNV-UHFFFAOYSA-N -1 0 392.477 3.764 20 5 GHBDRM O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC001464521150 1065060703 /nfs/dbraw/zinc/06/07/03/1065060703.db2.gz QNYXHMUPGVBJLD-HNNXBMFYSA-N -1 0 378.331 3.709 20 5 GHBDRM CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)Oc1ccccc1C(F)(F)F ZINC001465655426 1065773913 /nfs/dbraw/zinc/77/39/13/1065773913.db2.gz YRHHTXHJWWDHGJ-GFCCVEGCSA-N -1 0 398.337 3.907 20 5 GHBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Br)cc1[O-] ZINC001468658582 1067810661 /nfs/dbraw/zinc/81/06/61/1067810661.db2.gz ITLLJIOJXPCFTR-UHFFFAOYSA-N -1 0 381.182 3.714 20 5 GHBDRM CCC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001475010179 1074681675 /nfs/dbraw/zinc/68/16/75/1074681675.db2.gz NXSPRWXCPJAXCS-HNNXBMFYSA-N -1 0 380.441 3.814 20 5 GHBDRM Cc1ccc(N(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C2CCCCC2)nc1 ZINC000738281299 599834604 /nfs/dbraw/zinc/83/46/04/599834604.db2.gz ZSUWPMYALKDSRA-UHFFFAOYSA-N -1 0 383.404 3.976 20 5 GHBDRM COc1cccc(N2CC[C@@H](CNc3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC000738103371 599843228 /nfs/dbraw/zinc/84/32/28/599843228.db2.gz SZCLAPPESFSBNV-IOBAAEILSA-N -1 0 397.431 3.640 20 5 GHBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000738201427 599849811 /nfs/dbraw/zinc/84/98/11/599849811.db2.gz QMGMGGRGALKDGQ-ITHMCKDVSA-N -1 0 386.429 3.662 20 5 GHBDRM O=C([O-])c1cc(C(=O)Nc2ccc(Oc3ccccc3)cn2)cc([N+](=O)[O-])c1 ZINC000738674078 599952216 /nfs/dbraw/zinc/95/22/16/599952216.db2.gz YPIAORQPLCXMMF-UHFFFAOYSA-N -1 0 379.328 3.733 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2CCCc3c(Cl)ccc(F)c32)cc([N+](=O)[O-])c1 ZINC000738670593 599998092 /nfs/dbraw/zinc/99/80/92/599998092.db2.gz XPLKVVAWKBBWSQ-UHFFFAOYSA-N -1 0 378.743 3.679 20 5 GHBDRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 ZINC000178252373 600202167 /nfs/dbraw/zinc/20/21/67/600202167.db2.gz WQABXGPSGCCDAA-UHFFFAOYSA-N -1 0 389.795 3.799 20 5 GHBDRM CSc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000738200244 600320360 /nfs/dbraw/zinc/32/03/60/600320360.db2.gz WLKHVCQNQKJSFR-CQSZACIVSA-N -1 0 381.793 3.953 20 5 GHBDRM C[C@@H](Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000736702812 600462231 /nfs/dbraw/zinc/46/22/31/600462231.db2.gz GYEFTHZRQWWLSW-SECBINFHSA-N -1 0 398.293 3.718 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2ccccc2C(=O)c2cccs2)cc([N+](=O)[O-])c1 ZINC000740089091 600541593 /nfs/dbraw/zinc/54/15/93/600541593.db2.gz QDKQUEHHZKMJPF-UHFFFAOYSA-N -1 0 396.380 3.838 20 5 GHBDRM O=C([O-])c1cccc(-c2nc(COC(=O)Cc3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000833119130 600704595 /nfs/dbraw/zinc/70/45/95/600704595.db2.gz ZMVHRMVKFHYUSO-UHFFFAOYSA-N -1 0 398.396 3.702 20 5 GHBDRM C[C@H]1CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000828485656 600818994 /nfs/dbraw/zinc/81/89/94/600818994.db2.gz JJIKUMDKMKBWIC-WFASDCNBSA-N -1 0 385.376 3.831 20 5 GHBDRM CCC(CC)(NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000580737698 600928063 /nfs/dbraw/zinc/92/80/63/600928063.db2.gz GWXUXUYBGYGSEV-UHFFFAOYSA-N -1 0 385.420 3.580 20 5 GHBDRM COc1ccc([C@H]2CCN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])C2)cc1 ZINC000737987007 600943750 /nfs/dbraw/zinc/94/37/50/600943750.db2.gz PIYBEGNVPFLIOW-LBPRGKRZSA-N -1 0 376.796 3.949 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2c(C)c(Br)ccc2C(=O)[O-])c1 ZINC000832958252 600978506 /nfs/dbraw/zinc/97/85/06/600978506.db2.gz RDGBTUPNSWUSDV-UHFFFAOYSA-N -1 0 393.193 3.925 20 5 GHBDRM CSc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000832774158 601081525 /nfs/dbraw/zinc/08/15/25/601081525.db2.gz CBFMAZCUKZSWJX-GDBMZVCRSA-N -1 0 392.477 3.812 20 5 GHBDRM CC[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1F ZINC000828999137 601378278 /nfs/dbraw/zinc/37/82/78/601378278.db2.gz RNPUNKPWYLKYDJ-JBHCDEDDSA-N -1 0 392.358 3.895 20 5 GHBDRM Cc1cccc(C[C@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C(=O)[O-])c1 ZINC000832970837 601588972 /nfs/dbraw/zinc/58/89/72/601588972.db2.gz ZAGJNIXPUFKTHD-MRXNPFEDSA-N -1 0 385.420 3.585 20 5 GHBDRM O=C([O-])C[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000833265148 601621085 /nfs/dbraw/zinc/62/10/85/601621085.db2.gz SZJPXWRRKQZPLS-ZDUSSCGKSA-N -1 0 383.187 3.847 20 5 GHBDRM Cc1c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cccc1C(=O)[O-] ZINC000766898082 601630019 /nfs/dbraw/zinc/63/00/19/601630019.db2.gz USIQSUHNQJRHPQ-UHFFFAOYSA-N -1 0 397.156 3.755 20 5 GHBDRM CN(C)C(=O)Sc1ccc(COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000830569182 601782529 /nfs/dbraw/zinc/78/25/29/601782529.db2.gz HRXWBIQMFVUELU-UHFFFAOYSA-N -1 0 376.390 3.646 20 5 GHBDRM CN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830806793 601901386 /nfs/dbraw/zinc/90/13/86/601901386.db2.gz UUUHUYXTYRVTAH-HNNXBMFYSA-N -1 0 388.729 3.923 20 5 GHBDRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000833132248 601901846 /nfs/dbraw/zinc/90/18/46/601901846.db2.gz YXRSWMDGECFCDH-SMDDNHRTSA-N -1 0 399.241 3.511 20 5 GHBDRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000263068141 601995648 /nfs/dbraw/zinc/99/56/48/601995648.db2.gz PLLYIVDSJJDWIA-IBGZPJMESA-N -1 0 385.376 3.716 20 5 GHBDRM Cc1cc(N[C@@H](c2nccn2C)c2ccc(F)cc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897430 602313265 /nfs/dbraw/zinc/31/32/65/602313265.db2.gz OQMDZRPNVLXHPC-MRXNPFEDSA-N -1 0 384.367 3.676 20 5 GHBDRM Cc1cc(NC[C@@H](O)c2ccccc2C(F)(F)F)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896972 602314729 /nfs/dbraw/zinc/31/47/29/602314729.db2.gz PFLJRVFQXBEAHR-CQSZACIVSA-N -1 0 384.310 3.766 20 5 GHBDRM Cc1cc(N[C@@H](C)c2cccc(N3CCCC3=O)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897828 602315626 /nfs/dbraw/zinc/31/56/26/602315626.db2.gz ZPEINPSISNNCTO-ZDUSSCGKSA-N -1 0 383.404 3.901 20 5 GHBDRM Cc1cccc(C2(O)CCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)CC2)c1C ZINC000832966160 602320343 /nfs/dbraw/zinc/32/03/43/602320343.db2.gz SHOGCDBIUYHWTC-UHFFFAOYSA-N -1 0 384.432 3.706 20 5 GHBDRM CN(C(=O)[O-])C1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000737933382 602520396 /nfs/dbraw/zinc/52/03/96/602520396.db2.gz JTBHBODOOWEQCP-UHFFFAOYSA-N -1 0 398.419 3.553 20 5 GHBDRM O=C([O-])NCc1nc(C(=O)OCc2nc3ccccc3c3ccccc23)cs1 ZINC000740682460 602722577 /nfs/dbraw/zinc/72/25/77/602722577.db2.gz DWHKGBQGIXZCIC-UHFFFAOYSA-N -1 0 393.424 3.969 20 5 GHBDRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000738816795 603001936 /nfs/dbraw/zinc/00/19/36/603001936.db2.gz MSSIPSVNQKWWRV-ZDUSSCGKSA-N -1 0 375.385 3.574 20 5 GHBDRM O=C([O-])N[C@H](CCC(=O)N1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000740535915 603179155 /nfs/dbraw/zinc/17/91/55/603179155.db2.gz GNUMUOXGQOMTGL-QGZVFWFLSA-N -1 0 383.404 3.663 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCO[C@@H](c3cccc(F)c3)C2)cc1Cl ZINC000833308008 604264570 /nfs/dbraw/zinc/26/45/70/604264570.db2.gz VNLYMGRMKMLFJK-MRXNPFEDSA-N -1 0 380.759 3.663 20 5 GHBDRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000833226601 604352679 /nfs/dbraw/zinc/35/26/79/604352679.db2.gz JNOCGIQLEWBBHA-UHFFFAOYSA-N -1 0 376.796 3.755 20 5 GHBDRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000826103985 604390828 /nfs/dbraw/zinc/39/08/28/604390828.db2.gz ZSAUWMPVHVYGDM-OAHLLOKOSA-N -1 0 376.796 3.830 20 5 GHBDRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000826103563 604392417 /nfs/dbraw/zinc/39/24/17/604392417.db2.gz STMZWQGVJANOGQ-OAHLLOKOSA-N -1 0 376.796 3.830 20 5 GHBDRM CC(C)(NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000826621501 604524409 /nfs/dbraw/zinc/52/44/09/604524409.db2.gz YFBQJIVBFFLDLQ-KRWDZBQOSA-N -1 0 399.447 3.981 20 5 GHBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)[O-])c1O ZINC000833507899 605185772 /nfs/dbraw/zinc/18/57/72/605185772.db2.gz BDCQQFRMISNICP-UHFFFAOYSA-N -1 0 376.390 3.751 20 5 GHBDRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000833381289 605352118 /nfs/dbraw/zinc/35/21/18/605352118.db2.gz FJJKMMYUWHBGFU-XLNAKTSKSA-N -1 0 388.807 3.984 20 5 GHBDRM CC[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CC[C@H]1NC(=O)[O-] ZINC000833852097 605357500 /nfs/dbraw/zinc/35/75/00/605357500.db2.gz XGWUBAIZHFVUJD-AUUYWEPGSA-N -1 0 377.444 3.896 20 5 GHBDRM O=C([O-])c1ccc(F)c(COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000833780736 605819125 /nfs/dbraw/zinc/81/91/25/605819125.db2.gz BVLDPDXMBVHGFR-UHFFFAOYSA-N -1 0 387.241 3.808 20 5 GHBDRM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000414367959 837420717 /nfs/dbraw/zinc/42/07/17/837420717.db2.gz GERWRYCJDCCMTI-UHFFFAOYSA-N -1 0 391.449 3.669 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(OC(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000544097144 837430314 /nfs/dbraw/zinc/43/03/14/837430314.db2.gz MQYHQSHFNKJDAQ-UHFFFAOYSA-N -1 0 386.376 3.769 20 5 GHBDRM Cc1c(Br)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1[N+](=O)[O-] ZINC000180771998 837530813 /nfs/dbraw/zinc/53/08/13/837530813.db2.gz URRHRRISOWDWRC-UHFFFAOYSA-N -1 0 396.153 3.532 20 5 GHBDRM O=c1nc(-c2cc(Cl)cc([N+](=O)[O-])c2[O-])[nH]c2sc3c(c21)CCCC3 ZINC000097512841 835272007 /nfs/dbraw/zinc/27/20/07/835272007.db2.gz NNZBIILTCDFKME-UHFFFAOYSA-N -1 0 377.809 3.798 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000431639823 835953422 /nfs/dbraw/zinc/95/34/22/835953422.db2.gz YYEKWASGTGKULM-GFCCVEGCSA-N -1 0 376.768 3.533 20 5 GHBDRM Cc1nc(CNC(=O)c2cc3ccccc3c3cccnc23)sc1C(=O)[O-] ZINC000683325419 836438918 /nfs/dbraw/zinc/43/89/18/836438918.db2.gz UPIHEIASSSTFIO-UHFFFAOYSA-N -1 0 377.425 3.781 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1scnc1-c1ccccc1 ZINC000180164169 836474699 /nfs/dbraw/zinc/47/46/99/836474699.db2.gz PDYSVKMYOXAUFF-UHFFFAOYSA-N -1 0 391.430 3.528 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(CCc2ccccc2)ccn1 ZINC000175667438 836924065 /nfs/dbraw/zinc/92/40/65/836924065.db2.gz MQOISSZPWZJYPN-UHFFFAOYSA-N -1 0 383.429 3.576 20 5 GHBDRM CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000414011877 837122683 /nfs/dbraw/zinc/12/26/83/837122683.db2.gz FIRPPGQLLZMOSU-CQSZACIVSA-N -1 0 399.447 3.797 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000043562349 837286860 /nfs/dbraw/zinc/28/68/60/837286860.db2.gz ADWNZYYVKDQNKB-UHFFFAOYSA-N -1 0 376.312 3.603 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000189315072 838253224 /nfs/dbraw/zinc/25/32/24/838253224.db2.gz JHMMFYYPXGWVPA-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM CCc1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)sc1C(C)(C)C ZINC000414469653 838421742 /nfs/dbraw/zinc/42/17/42/838421742.db2.gz JTIDHADZEQQLTG-UHFFFAOYSA-N -1 0 399.494 3.721 20 5 GHBDRM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000047417943 844331822 /nfs/dbraw/zinc/33/18/22/844331822.db2.gz QRNKOPYVSLINGM-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM CC(C)(C)CC[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C(=O)[O-] ZINC000416442290 839235107 /nfs/dbraw/zinc/23/51/07/839235107.db2.gz SUIZICLBFIVSOG-OAHLLOKOSA-N -1 0 377.441 3.522 20 5 GHBDRM Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000471586789 839702155 /nfs/dbraw/zinc/70/21/55/839702155.db2.gz RFFCMYVMTUALHT-CQSZACIVSA-N -1 0 386.433 3.510 20 5 GHBDRM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1cccc2cc[nH]c21 ZINC000614099086 844555778 /nfs/dbraw/zinc/55/57/78/844555778.db2.gz XNZIZALMGJDLFQ-UHFFFAOYSA-N -1 0 396.222 3.639 20 5 GHBDRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)cc2)co1 ZINC000610500269 841223354 /nfs/dbraw/zinc/22/33/54/841223354.db2.gz YVNOGYWHSYWAOZ-UHFFFAOYSA-N -1 0 387.417 3.976 20 5 GHBDRM CC(C)(CC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000796646745 841604674 /nfs/dbraw/zinc/60/46/74/841604674.db2.gz BDKJERUJTWLIFE-UHFFFAOYSA-N -1 0 386.445 3.535 20 5 GHBDRM COc1ccc(CN=c2[n-]nc(Sc3ccc([N+](=O)[O-])c(C)c3)s2)cc1 ZINC000603842031 861258468 /nfs/dbraw/zinc/25/84/68/861258468.db2.gz BISOGFAWNIGJTA-UHFFFAOYSA-N -1 0 388.474 3.949 20 5 GHBDRM CCOC(=O)c1sc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1C ZINC000581694726 842043444 /nfs/dbraw/zinc/04/34/44/842043444.db2.gz FLFPUTVWQITBFT-UHFFFAOYSA-N -1 0 398.462 3.559 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(Cl)c1 ZINC000730768336 861266114 /nfs/dbraw/zinc/26/61/14/861266114.db2.gz MINPKVCQWACCNA-UHFFFAOYSA-N -1 0 399.831 3.788 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(OCc2cccnc2)c1 ZINC000055632207 861274395 /nfs/dbraw/zinc/27/43/95/861274395.db2.gz BNDBQIMJGCUXKI-UHFFFAOYSA-N -1 0 399.428 3.678 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCc2cccnc2)c1 ZINC000055632272 861274442 /nfs/dbraw/zinc/27/44/42/861274442.db2.gz BXCWIVLPBPERSR-UHFFFAOYSA-N -1 0 399.428 3.678 20 5 GHBDRM CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000006315191 842452582 /nfs/dbraw/zinc/45/25/82/842452582.db2.gz PDKUTYVKUICJBN-UHFFFAOYSA-N -1 0 398.824 3.616 20 5 GHBDRM CC[C@@H](c1nnc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])s1)c1ccccc1 ZINC000510676872 843182500 /nfs/dbraw/zinc/18/25/00/843182500.db2.gz BCGQNTNDQFDQCU-CYBMUJFWSA-N -1 0 384.417 3.946 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Br)c2Cl)s1 ZINC000549598588 843231927 /nfs/dbraw/zinc/23/19/27/843231927.db2.gz RVGYVAFYVJEXJO-UHFFFAOYSA-N -1 0 397.659 3.873 20 5 GHBDRM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C)o1 ZINC000135405906 843345092 /nfs/dbraw/zinc/34/50/92/843345092.db2.gz AHJZPMGQVNJEJX-UHFFFAOYSA-N -1 0 396.812 3.649 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)[nH]n2)c(F)c1 ZINC000610663101 843439836 /nfs/dbraw/zinc/43/98/36/843439836.db2.gz FHTRNMFBTKRPKE-UHFFFAOYSA-N -1 0 396.787 3.578 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ncc(-c2ccccc2F)s1 ZINC000549611305 843552370 /nfs/dbraw/zinc/55/23/70/843552370.db2.gz CHTXOQKTEDLPSF-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM C[C@@H]1CN(c2cccc3cnccc32)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000549613474 843597025 /nfs/dbraw/zinc/59/70/25/843597025.db2.gz HQDXPRZVFBNYBX-OAHLLOKOSA-N -1 0 378.432 3.559 20 5 GHBDRM COc1cc(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)cc1C(C)C ZINC000432780080 843800537 /nfs/dbraw/zinc/80/05/37/843800537.db2.gz MJJIYCAUKDTPOF-UHFFFAOYSA-N -1 0 380.422 3.542 20 5 GHBDRM CCOC(=O)c1cc2cc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)ccc2s1 ZINC000500705384 843860971 /nfs/dbraw/zinc/86/09/71/843860971.db2.gz OHNDLBDZERSEIK-UHFFFAOYSA-N -1 0 386.385 3.944 20 5 GHBDRM Cc1cccc2sc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)nc21 ZINC000603971027 861474403 /nfs/dbraw/zinc/47/44/03/861474403.db2.gz JFVGDOPWEJENSA-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM O=C([O-])C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CCCC1 ZINC000610853143 844661788 /nfs/dbraw/zinc/66/17/88/844661788.db2.gz OYPGNSMKFWFITP-UHFFFAOYSA-N -1 0 384.388 3.762 20 5 GHBDRM Cc1ccc2c(ccnc2NC2([P@@](=O)([O-])O)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC001167934927 844735121 /nfs/dbraw/zinc/73/51/21/844735121.db2.gz XBXGXFVGQWNFLI-UHFFFAOYSA-N -1 0 399.343 3.536 20 5 GHBDRM O=[N+]([O-])c1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000603976152 861526685 /nfs/dbraw/zinc/52/66/85/861526685.db2.gz TUDUOMMMFKYPEU-UHFFFAOYSA-N -1 0 396.730 3.790 20 5 GHBDRM CCOc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Br ZINC000190362708 845296113 /nfs/dbraw/zinc/29/61/13/845296113.db2.gz SRIWGHPVLWVPOM-UHFFFAOYSA-N -1 0 381.182 3.714 20 5 GHBDRM Cc1nc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)cc2o1 ZINC000176637417 845352702 /nfs/dbraw/zinc/35/27/02/845352702.db2.gz UXSYSZJDWUASRX-UHFFFAOYSA-N -1 0 381.797 3.807 20 5 GHBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000262809070 845603074 /nfs/dbraw/zinc/60/30/74/845603074.db2.gz AXXMEBWWUSPIEW-GOSISDBHSA-N -1 0 380.466 3.668 20 5 GHBDRM CCC[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)[O-] ZINC000263118370 845649470 /nfs/dbraw/zinc/64/94/70/845649470.db2.gz GMTQPOHRVIQADC-SNVBAGLBSA-N -1 0 388.370 3.603 20 5 GHBDRM O=C(CCCOc1ccccc1Br)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000538870827 845676433 /nfs/dbraw/zinc/67/64/33/845676433.db2.gz AHHBKJYFVAZFMP-UHFFFAOYSA-N -1 0 395.209 3.861 20 5 GHBDRM COc1ccccc1C[C@H](C)CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1 ZINC000502968531 846671979 /nfs/dbraw/zinc/67/19/79/846671979.db2.gz HRYDMMNZACUZAD-AWEZNQCLSA-N -1 0 394.431 3.623 20 5 GHBDRM COc1ccc(C2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)cc1 ZINC000582303344 846823278 /nfs/dbraw/zinc/82/32/78/846823278.db2.gz VTMJJONIPZYBTP-UHFFFAOYSA-N -1 0 390.823 3.982 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)cc1[N+](=O)[O-] ZINC000187739660 847063656 /nfs/dbraw/zinc/06/36/56/847063656.db2.gz RGUWKOHMBGGFMJ-SNVBAGLBSA-N -1 0 384.845 3.525 20 5 GHBDRM O=C([O-])c1ccnc(N2CCC(c3nc4ccccc4s3)CC2)c1[N+](=O)[O-] ZINC000582492258 847407769 /nfs/dbraw/zinc/40/77/69/847407769.db2.gz RTFVUNYPBXGBAV-UHFFFAOYSA-N -1 0 384.417 3.682 20 5 GHBDRM CCCCOc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000479549313 847725287 /nfs/dbraw/zinc/72/52/87/847725287.db2.gz YZMNEVWVIBFTNM-UHFFFAOYSA-N -1 0 385.829 3.623 20 5 GHBDRM CC1(C)CCCc2sc([N-]S(=O)(=O)Cc3ccccc3[N+](=O)[O-])nc21 ZINC000582937659 848730898 /nfs/dbraw/zinc/73/08/98/848730898.db2.gz ZVFCFNPPKZBXAD-UHFFFAOYSA-N -1 0 381.479 3.607 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@H]1c1ccc(Br)cc1 ZINC001167651602 848954414 /nfs/dbraw/zinc/95/44/14/848954414.db2.gz TZBWKDAHPJLKIQ-ZDUSSCGKSA-N -1 0 377.194 3.650 20 5 GHBDRM O=[N+]([O-])c1ccc2oc(CSc3n[n-]c(=NCc4ccccc4)s3)nc2c1 ZINC000434808879 849792338 /nfs/dbraw/zinc/79/23/38/849792338.db2.gz LUAQMLFRLTWQGV-UHFFFAOYSA-N -1 0 399.457 3.914 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1csc(-c2ccncc2)n1 ZINC000185968319 862088130 /nfs/dbraw/zinc/08/81/30/862088130.db2.gz PRBLMIBIQHFSBG-UHFFFAOYSA-N -1 0 396.837 3.568 20 5 GHBDRM O=C(Nc1c(-c2cccs2)nc2ccccn21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000514634934 850083875 /nfs/dbraw/zinc/08/38/75/850083875.db2.gz NXQMERSWSMSLPN-UHFFFAOYSA-N -1 0 380.385 3.929 20 5 GHBDRM CC(C)(CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C(=O)[O-] ZINC000424231384 850301210 /nfs/dbraw/zinc/30/12/10/850301210.db2.gz NDUXMMZLXRYVRA-UHFFFAOYSA-N -1 0 388.445 3.977 20 5 GHBDRM C[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000424253254 850314462 /nfs/dbraw/zinc/31/44/62/850314462.db2.gz KPBZXXXEVSUWDS-LIRRHRJNSA-N -1 0 397.431 3.532 20 5 GHBDRM COc1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cn2)cc1 ZINC000439936717 850609822 /nfs/dbraw/zinc/60/98/22/850609822.db2.gz PPLNBDOREDGGCW-UHFFFAOYSA-N -1 0 381.344 3.749 20 5 GHBDRM O=[N+]([O-])c1ccc(OCCSc2n[n-]c(=NCc3ccccc3)s2)cc1 ZINC000519107468 850613870 /nfs/dbraw/zinc/61/38/70/850613870.db2.gz UGRUAIUSYDZCTN-UHFFFAOYSA-N -1 0 388.474 3.651 20 5 GHBDRM COCCC[C@@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000519200154 850750053 /nfs/dbraw/zinc/75/00/53/850750053.db2.gz VYGXVWSOMVLPOM-AWEZNQCLSA-N -1 0 392.839 3.894 20 5 GHBDRM O=C([O-])c1csc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000426637712 851077130 /nfs/dbraw/zinc/07/71/30/851077130.db2.gz GKQSKYQYZQHYPL-UHFFFAOYSA-N -1 0 375.431 3.768 20 5 GHBDRM O=C([O-])c1cc(N[C@H]2CCCN(Cc3c(F)cccc3F)C2)ccc1[N+](=O)[O-] ZINC000910354698 851168930 /nfs/dbraw/zinc/16/89/30/851168930.db2.gz PZHSIZYDBDPIEX-ZDUSSCGKSA-N -1 0 391.374 3.648 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c(Cl)c1 ZINC000515620114 851258067 /nfs/dbraw/zinc/25/80/67/851258067.db2.gz HAPJGKLDQXORRO-UHFFFAOYSA-N -1 0 396.730 3.948 20 5 GHBDRM O=[N+]([O-])c1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000515621434 851260384 /nfs/dbraw/zinc/26/03/84/851260384.db2.gz IPCMNTPSXSBPCU-UHFFFAOYSA-N -1 0 396.730 3.790 20 5 GHBDRM COc1c(F)cc(S(=O)(=O)[N-]c2ccccc2OC(C)(C)C)cc1[N+](=O)[O-] ZINC000488251040 851313446 /nfs/dbraw/zinc/31/34/46/851313446.db2.gz OXDPYSLSPAKHGG-UHFFFAOYSA-N -1 0 398.412 3.721 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)s2)c(Cl)c1 ZINC000473762323 851855017 /nfs/dbraw/zinc/85/50/17/851855017.db2.gz PHKSPXSJXTVAGE-UHFFFAOYSA-N -1 0 387.748 3.524 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CSc1ncnc2c1cnn2-c1ccccc1 ZINC000436475853 851965004 /nfs/dbraw/zinc/96/50/04/851965004.db2.gz WSLVVAQGYANFLW-UHFFFAOYSA-N -1 0 379.401 3.722 20 5 GHBDRM CCCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000436486131 851981541 /nfs/dbraw/zinc/98/15/41/851981541.db2.gz IILXQUIXSJLMRB-AWEZNQCLSA-N -1 0 385.420 3.570 20 5 GHBDRM CCc1c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000436594845 852081687 /nfs/dbraw/zinc/08/16/87/852081687.db2.gz KBHBEJBECFZNJW-UHFFFAOYSA-N -1 0 386.795 3.954 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C(=O)C(C)(C)C)cc1 ZINC000425952230 852083822 /nfs/dbraw/zinc/08/38/22/852083822.db2.gz SEOUHIVIVSLISI-UHFFFAOYSA-N -1 0 392.433 3.633 20 5 GHBDRM O=C(NCc1ccnc(Oc2ccccc2F)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436816347 852356318 /nfs/dbraw/zinc/35/63/18/852356318.db2.gz RSFYVEKOZYELDS-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM CN(Cc1cc(Br)ccc1Cl)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436815084 852375201 /nfs/dbraw/zinc/37/52/01/852375201.db2.gz MUIGRSDBFAUPMN-UHFFFAOYSA-N -1 0 399.628 3.989 20 5 GHBDRM CCC(=O)c1ccc([O-])c(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000436830573 852380079 /nfs/dbraw/zinc/38/00/79/852380079.db2.gz DBEIFRRTBDDVTF-UHFFFAOYSA-N -1 0 392.795 3.954 20 5 GHBDRM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1OCc1cccnc1 ZINC000436859236 852422187 /nfs/dbraw/zinc/42/21/87/852422187.db2.gz ABYUGSIWZASWIU-UHFFFAOYSA-N -1 0 395.371 3.535 20 5 GHBDRM CCN(Cc1ccccc1Br)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436948889 852531843 /nfs/dbraw/zinc/53/18/43/852531843.db2.gz KPGIBMSTEHQILZ-UHFFFAOYSA-N -1 0 379.210 3.725 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000436964408 852534338 /nfs/dbraw/zinc/53/43/38/852534338.db2.gz IJXGVJZAESCWTC-UHFFFAOYSA-N -1 0 382.416 3.820 20 5 GHBDRM COc1cc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1OCCC(C)C ZINC000436951736 852541767 /nfs/dbraw/zinc/54/17/67/852541767.db2.gz ROQWVWWTPXEMLS-UHFFFAOYSA-N -1 0 388.420 3.664 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000517912529 852596080 /nfs/dbraw/zinc/59/60/80/852596080.db2.gz RUKVUKVSQOUWHU-UHFFFAOYSA-N -1 0 396.730 3.948 20 5 GHBDRM O=[N+]([O-])c1ccccc1Cc1noc(-c2ccc(Br)cc2[O-])n1 ZINC000437001625 852597579 /nfs/dbraw/zinc/59/75/79/852597579.db2.gz WGOICJOPAAKDJU-UHFFFAOYSA-N -1 0 376.166 3.704 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Oc2ccccn2)c1 ZINC000438716273 852745830 /nfs/dbraw/zinc/74/58/30/852745830.db2.gz LLSNIFDNBGWXCO-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM CC[C@@](NC(=O)c1cc([N+](=O)[O-])ccc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507309051 852768476 /nfs/dbraw/zinc/76/84/76/852768476.db2.gz LEWGAIMFWPZENT-SFHVURJKSA-N -1 0 376.796 3.677 20 5 GHBDRM Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505976796 852781992 /nfs/dbraw/zinc/78/19/92/852781992.db2.gz QTMONQOBPOOWIL-IBGZPJMESA-N -1 0 392.415 3.983 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)c(C)c1 ZINC000438750089 852784467 /nfs/dbraw/zinc/78/44/67/852784467.db2.gz FTVCFTSRTFNEMZ-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM CC(C)Cn1cc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cn1 ZINC000438774874 852833535 /nfs/dbraw/zinc/83/35/35/852833535.db2.gz VWILOCQCGOWDJP-UHFFFAOYSA-N -1 0 393.252 3.555 20 5 GHBDRM C[C@@H](Oc1cccnc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000490316869 852919046 /nfs/dbraw/zinc/91/90/46/852919046.db2.gz RETULXQCLWXYQD-CQSZACIVSA-N -1 0 399.428 3.931 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cn1 ZINC000437301619 852977613 /nfs/dbraw/zinc/97/76/13/852977613.db2.gz CUADTQWOTQXESE-UHFFFAOYSA-N -1 0 382.612 3.751 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC(C)(C)O3)cc1[N+](=O)[O-] ZINC000507642117 853143425 /nfs/dbraw/zinc/14/34/25/853143425.db2.gz BDRWUFCYFLUWCZ-UHFFFAOYSA-N -1 0 396.446 3.509 20 5 GHBDRM O=C(NCc1ccccc1COCc1ccccc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000506476960 853245897 /nfs/dbraw/zinc/24/58/97/853245897.db2.gz LADLRASANFFKNZ-UHFFFAOYSA-N -1 0 392.411 3.947 20 5 GHBDRM Cc1ccc(-c2ncccc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000437666794 853395152 /nfs/dbraw/zinc/39/51/52/853395152.db2.gz LHEMRDMILWDXSV-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC000491058143 853430056 /nfs/dbraw/zinc/43/00/56/853430056.db2.gz HDSSAZLICASWQN-UHFFFAOYSA-N -1 0 378.740 3.650 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000586750182 853520173 /nfs/dbraw/zinc/52/01/73/853520173.db2.gz FATOTKXZWXLEOP-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)c(F)c1 ZINC000586750094 853520542 /nfs/dbraw/zinc/52/05/42/853520542.db2.gz ZCRWMIXYAWWNLX-UHFFFAOYSA-N -1 0 379.394 3.658 20 5 GHBDRM O=C(Nc1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1)c1ccccc1 ZINC000160050356 853534516 /nfs/dbraw/zinc/53/45/16/853534516.db2.gz PWGPBJPCGYMLTA-UHFFFAOYSA-N -1 0 377.356 3.805 20 5 GHBDRM Cc1c(Cl)cccc1N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000586825562 853571350 /nfs/dbraw/zinc/57/13/50/853571350.db2.gz ABAPLFHTDSXFSH-UHFFFAOYSA-N -1 0 389.839 3.615 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(Br)cc2C)cc1[N+](=O)[O-] ZINC000163944171 853631046 /nfs/dbraw/zinc/63/10/46/853631046.db2.gz GHTSMQDECABWIX-UHFFFAOYSA-N -1 0 391.268 3.836 20 5 GHBDRM C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H](c2ccsc2)O1 ZINC000571286380 853852716 /nfs/dbraw/zinc/85/27/16/853852716.db2.gz KULIFUVYWREWIR-YMTOWFKASA-N -1 0 382.825 3.618 20 5 GHBDRM C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469569623 853885833 /nfs/dbraw/zinc/88/58/33/853885833.db2.gz XYMRZTARNRFVDH-NSHDSACASA-N -1 0 393.237 3.814 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000589558977 855026384 /nfs/dbraw/zinc/02/63/84/855026384.db2.gz RQTBMMSLMFYMTH-UHFFFAOYSA-N -1 0 376.434 3.797 20 5 GHBDRM Cc1nc(-c2cccc([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])c2)oc1C ZINC000057119681 855224872 /nfs/dbraw/zinc/22/48/72/855224872.db2.gz MEHIKGQRJZTDRO-UHFFFAOYSA-N -1 0 387.417 3.976 20 5 GHBDRM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000542751314 855621319 /nfs/dbraw/zinc/62/13/19/855621319.db2.gz UUVHYHYUSHZGLW-UHFFFAOYSA-N -1 0 384.779 3.972 20 5 GHBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000591563398 856152863 /nfs/dbraw/zinc/15/28/63/856152863.db2.gz DHNCAQHNFLMAFT-OLZOCXBDSA-N -1 0 392.477 3.812 20 5 GHBDRM O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164315461 862765169 /nfs/dbraw/zinc/76/51/69/862765169.db2.gz SIMXTAVDWSCIGK-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM Cc1ccc2[nH]c([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)nc2c1 ZINC000427652290 856475641 /nfs/dbraw/zinc/47/56/41/856475641.db2.gz UGEYLOLVCGEXSH-UHFFFAOYSA-N -1 0 380.813 3.542 20 5 GHBDRM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164466355 862826974 /nfs/dbraw/zinc/82/69/74/862826974.db2.gz ATEAJAVEZLBCKE-INIZCTEOSA-N -1 0 380.404 3.647 20 5 GHBDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000592379009 856822382 /nfs/dbraw/zinc/82/23/82/856822382.db2.gz IURTUHKQAYEBQA-NEPJUHHUSA-N -1 0 378.450 3.613 20 5 GHBDRM O=C(Nc1nnc(SCc2cccs2)s1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427904235 856858781 /nfs/dbraw/zinc/85/87/81/856858781.db2.gz BOWCOKUJDBLKCK-UHFFFAOYSA-N -1 0 394.459 3.758 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2ccc3c(Cl)cccc3n2)ccc1[N+](=O)[O-] ZINC000508142943 856986914 /nfs/dbraw/zinc/98/69/14/856986914.db2.gz NLVXCKBPEROQQX-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM Cc1cc(Br)c2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)CC2 ZINC000428048959 857059968 /nfs/dbraw/zinc/05/99/68/857059968.db2.gz LVYZBBQYNKIUTP-UHFFFAOYSA-N -1 0 391.221 3.570 20 5 GHBDRM COc1cccc(F)c1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485773857 857061428 /nfs/dbraw/zinc/06/14/28/857061428.db2.gz IFWIQZGQXIJFAE-UHFFFAOYSA-N -1 0 375.175 3.819 20 5 GHBDRM Cc1sc([C@H]2CCCN2c2nccc3cc([N+](=O)[O-])ccc32)nc1C(=O)[O-] ZINC000592981210 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GTKINLLFCAINKU-UHFFFAOYSA-N -1 0 398.460 3.901 20 5 GHBDRM O=[N+]([O-])c1cc([O-])cc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)c1 ZINC000486111312 857439003 /nfs/dbraw/zinc/43/90/03/857439003.db2.gz QTPRDIWALQWNAX-UHFFFAOYSA-N -1 0 390.355 3.991 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1[N+](=O)[O-] ZINC000442241541 857645307 /nfs/dbraw/zinc/64/53/07/857645307.db2.gz ZGBLSJKWHRZHMA-UHFFFAOYSA-N -1 0 376.768 3.944 20 5 GHBDRM COc1ccc(C(=O)NCc2c(C(=O)[O-])sc3ccsc32)cc1[N+](=O)[O-] ZINC000486396338 857705477 /nfs/dbraw/zinc/70/54/77/857705477.db2.gz QBDLUKBFTWUFBD-UHFFFAOYSA-N -1 0 392.414 3.508 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C2CC2)cc1Cl ZINC000594464557 858198885 /nfs/dbraw/zinc/19/88/85/858198885.db2.gz QBFNRLQZNIHWLO-UHFFFAOYSA-N -1 0 382.825 3.935 20 5 GHBDRM CCCn1c2ccc(C)cc2nc1-c1cc(OC)c(OCC(=O)[O-])cc1[N+](=O)[O-] ZINC000521676005 858217436 /nfs/dbraw/zinc/21/74/36/858217436.db2.gz CUXWOZQBCURJJV-UHFFFAOYSA-N -1 0 399.403 3.802 20 5 GHBDRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])s1 ZINC000594720367 858263428 /nfs/dbraw/zinc/26/34/28/858263428.db2.gz KORBKDSKYPYHLV-UHFFFAOYSA-N -1 0 392.462 3.698 20 5 GHBDRM Cc1cc(N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000594734721 858268554 /nfs/dbraw/zinc/26/85/54/858268554.db2.gz ADBZGXOAXMFTHL-MNOVXSKESA-N -1 0 383.326 3.541 20 5 GHBDRM O=[N+]([O-])c1ccc(C(F)(F)F)c(CSc2n[n-]c(=NC3CC3)s2)c1 ZINC000555006973 858297596 /nfs/dbraw/zinc/29/75/96/858297596.db2.gz XUZMLLODUNGUOZ-UHFFFAOYSA-N -1 0 376.385 3.754 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1C ZINC000314253873 858449213 /nfs/dbraw/zinc/44/92/13/858449213.db2.gz XXCKOZSGVKPWML-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000414016607 858964787 /nfs/dbraw/zinc/96/47/87/858964787.db2.gz JUXZPJHBICJLAH-AWEZNQCLSA-N -1 0 399.447 3.797 20 5 GHBDRM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])cc2)n[nH]1 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O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000554342107 864166344 /nfs/dbraw/zinc/16/63/44/864166344.db2.gz QGPUMQQEPFCPFP-UHFFFAOYSA-N -1 0 383.187 3.629 20 5 GHBDRM COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000480234333 864319188 /nfs/dbraw/zinc/31/91/88/864319188.db2.gz RHZQKLSAGKAAGF-UHFFFAOYSA-N -1 0 394.449 3.808 20 5 GHBDRM CC(C)[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000734704476 864398313 /nfs/dbraw/zinc/39/83/13/864398313.db2.gz QSYRSEOLRDPBMR-GOSISDBHSA-N -1 0 396.509 3.783 20 5 GHBDRM CC(C)[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000734712435 864403553 /nfs/dbraw/zinc/40/35/53/864403553.db2.gz MVVRYXOJVBEBMR-CQSZACIVSA-N -1 0 388.511 3.704 20 5 GHBDRM O=C(OCCOc1ccc(Cl)cc1Br)c1ccc([N+](=O)[O-])[n-]1 ZINC000920143744 881805538 /nfs/dbraw/zinc/80/55/38/881805538.db2.gz QXDLUVAVMDHRPE-UHFFFAOYSA-N -1 0 389.589 3.575 20 5 GHBDRM CC(C)CCn1nc(CNC(=O)c2cccc([O-])c2[N+](=O)[O-])c2ccccc21 ZINC000456114496 866121417 /nfs/dbraw/zinc/12/14/17/866121417.db2.gz ASOLVBAMQFRQKR-UHFFFAOYSA-N -1 0 382.420 3.626 20 5 GHBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1nc(-c2ccc(F)cc2)cs1 ZINC000183379028 866656096 /nfs/dbraw/zinc/65/60/96/866656096.db2.gz UAAOEPNFFVHLAH-UHFFFAOYSA-N -1 0 393.421 3.799 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000456729951 867073013 /nfs/dbraw/zinc/07/30/13/867073013.db2.gz SHZAQNJWXQWEGX-UHFFFAOYSA-N -1 0 376.359 3.674 20 5 GHBDRM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445007413 867632905 /nfs/dbraw/zinc/63/29/05/867632905.db2.gz YDKWMOKRABTZHU-OAHLLOKOSA-N -1 0 383.429 3.779 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)c1[N+](=O)[O-] ZINC000479621897 868233860 /nfs/dbraw/zinc/23/38/60/868233860.db2.gz XQBYZYNKZAGMQO-CQSZACIVSA-N -1 0 380.470 3.816 20 5 GHBDRM CCCCCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000744010057 868544766 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VYUUCCGWMSUXEY-AWEZNQCLSA-N -1 0 389.477 3.756 20 5 GHBDRM O=C(CCc1cccc([N+](=O)[O-])c1)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000446053048 869343440 /nfs/dbraw/zinc/34/34/40/869343440.db2.gz MPPCWSVGOXKDFD-UHFFFAOYSA-N -1 0 388.836 3.760 20 5 GHBDRM Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1F ZINC000462458170 869491395 /nfs/dbraw/zinc/49/13/95/869491395.db2.gz JFFBZIAAWMMGGA-UHFFFAOYSA-N -1 0 393.223 3.828 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000462483332 869524845 /nfs/dbraw/zinc/52/48/45/869524845.db2.gz DIWBWMSEXHFSAY-GFCCVEGCSA-N -1 0 388.474 3.804 20 5 GHBDRM CC(C)NC(=O)Nc1cccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000539749411 869712117 /nfs/dbraw/zinc/71/21/17/869712117.db2.gz GWZUGFFKBSIOMR-UHFFFAOYSA-N -1 0 392.799 3.736 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cccc(-c2nccs2)c1 ZINC000121974807 882361033 /nfs/dbraw/zinc/36/10/33/882361033.db2.gz JPPFJKODNDDDCZ-UHFFFAOYSA-N -1 0 379.394 3.658 20 5 GHBDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000446619999 870102862 /nfs/dbraw/zinc/10/28/62/870102862.db2.gz LMXIESBEFIFOHE-UHFFFAOYSA-N -1 0 382.463 3.743 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2nnc(C[C@@H](C)CC(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000446779596 870390941 /nfs/dbraw/zinc/39/09/41/870390941.db2.gz ABAVSBNLCHKEAQ-GFCCVEGCSA-N -1 0 396.469 3.702 20 5 GHBDRM Cc1nc(-c2ccccc2)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000540211764 870743760 /nfs/dbraw/zinc/74/37/60/870743760.db2.gz ZHMBKBBOIJRHNN-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)ccc1F ZINC000103057854 871156457 /nfs/dbraw/zinc/15/64/57/871156457.db2.gz WIQFDQVVMBADPM-UHFFFAOYSA-N -1 0 382.266 3.693 20 5 GHBDRM CSc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000540673232 871915980 /nfs/dbraw/zinc/91/59/80/871915980.db2.gz JERKVEZUMPKBQN-CYBMUJFWSA-N -1 0 388.445 3.680 20 5 GHBDRM Cc1ccc(-c2cc(=NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)[nH][n-]2)o1 ZINC000447805191 872329153 /nfs/dbraw/zinc/32/91/53/872329153.db2.gz HKNPYVAWVRIPHI-UHFFFAOYSA-N -1 0 395.400 3.684 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C)cc(C(F)(F)F)c1 ZINC000619468390 872663105 /nfs/dbraw/zinc/66/31/05/872663105.db2.gz YUKQPOPKYBTDKT-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ncc(-c2ccccc2)s1 ZINC000182705239 872705261 /nfs/dbraw/zinc/70/52/61/872705261.db2.gz AIPNKRWLEDBARD-UHFFFAOYSA-N -1 0 389.458 3.703 20 5 GHBDRM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000768542008 873375363 /nfs/dbraw/zinc/37/53/63/873375363.db2.gz CKLYIMAYKFNULQ-CJNGLKHVSA-N -1 0 379.457 3.568 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1Cl ZINC000768869548 873632283 /nfs/dbraw/zinc/63/22/83/873632283.db2.gz VPSANBLUQMIRKD-UHFFFAOYSA-N -1 0 396.730 3.948 20 5 GHBDRM O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000443562410 873767426 /nfs/dbraw/zinc/76/74/26/873767426.db2.gz UZLPSCPFMHQZGW-UHFFFAOYSA-N -1 0 398.312 3.920 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000541586723 873931630 /nfs/dbraw/zinc/93/16/30/873931630.db2.gz SJEFOZFVXZSVCY-CHWSQXEVSA-N -1 0 377.194 3.805 20 5 GHBDRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000769636581 874180689 /nfs/dbraw/zinc/18/06/89/874180689.db2.gz YJICYDSIYCCXNL-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1 ZINC000770479203 874722867 /nfs/dbraw/zinc/72/28/67/874722867.db2.gz OTQGEMZJDWRAIP-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1NC(=O)c1ccncc1 ZINC000770860521 874892474 /nfs/dbraw/zinc/89/24/74/874892474.db2.gz FOQSONMEFZTBMO-UHFFFAOYSA-N -1 0 392.371 3.508 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(SC(F)F)nc1 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ZINC000609657838 883497142 /nfs/dbraw/zinc/49/71/42/883497142.db2.gz UXIGVHLODHOGSY-UHFFFAOYSA-N -1 0 392.433 3.614 20 5 GHBDRM Cc1nc(=NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)s[n-]1 ZINC000542510713 883958271 /nfs/dbraw/zinc/95/82/71/883958271.db2.gz MBLBGCYGHRGDOO-UHFFFAOYSA-N -1 0 378.479 3.711 20 5 GHBDRM CC(C)(C)CC[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)[O-] ZINC000263137091 884140273 /nfs/dbraw/zinc/14/02/73/884140273.db2.gz MEKLRBZJOSAWFO-QGZVFWFLSA-N -1 0 394.471 3.550 20 5 GHBDRM CN(c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCCC1 ZINC000761908059 884969140 /nfs/dbraw/zinc/96/91/40/884969140.db2.gz MUZBYLRKOVYNSJ-UHFFFAOYSA-N -1 0 393.440 3.914 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000914869696 885067490 /nfs/dbraw/zinc/06/74/90/885067490.db2.gz TUYULYJAPRFQGJ-CQSZACIVSA-N -1 0 376.796 3.637 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000914869693 885067619 /nfs/dbraw/zinc/06/76/19/885067619.db2.gz 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O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cccc(OC2CCCC2)c1 ZINC000917735821 892448462 /nfs/dbraw/zinc/44/84/62/892448462.db2.gz XJIYZSBRBWOHOO-UHFFFAOYSA-N -1 0 380.397 3.856 20 5 GHBDRM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000428590060 892628761 /nfs/dbraw/zinc/62/87/61/892628761.db2.gz YSSCSGRYXGFYMQ-LLVKDONJSA-N -1 0 392.795 3.621 20 5 GHBDRM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194631540 893625082 /nfs/dbraw/zinc/62/50/82/893625082.db2.gz MTOBZVXZAVXOKL-UHFFFAOYSA-N -1 0 391.449 3.689 20 5 GHBDRM O=C([O-])c1cc(NC[C@H](CO)Cc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000565038039 895363195 /nfs/dbraw/zinc/36/31/95/895363195.db2.gz KUCRQAAYAKGLDC-LLVKDONJSA-N -1 0 398.337 3.575 20 5 GHBDRM CCOc1c(Cl)cc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000566294549 896222358 /nfs/dbraw/zinc/22/23/58/896222358.db2.gz HQLVEUIJUXBFRN-UHFFFAOYSA-N -1 0 394.811 3.895 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2cccc(F)c2)on1 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O=[N+]([O-])c1ccccc1C=C([O-])c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC001248977987 1036260608 /nfs/dbraw/zinc/26/06/08/1036260608.db2.gz FLYAJAKSZGRCFH-UHFFFAOYSA-N -1 0 393.277 3.969 20 5 GHBDRM COc1cc(C(F)(F)F)ccc1-c1noc(Cc2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC001247987784 1038527034 /nfs/dbraw/zinc/52/70/34/1038527034.db2.gz QGWHBUBYPHJMGE-UHFFFAOYSA-N -1 0 395.293 3.969 20 5 GHBDRM O=[N+]([O-])c1cc(Cc2nc(-c3ccc(N4CCCCC4)cc3)no2)ccc1[O-] ZINC001247988837 1038527730 /nfs/dbraw/zinc/52/77/30/1038527730.db2.gz MWDHVGPRCTZHPA-UHFFFAOYSA-N -1 0 380.404 3.932 20 5 GHBDRM O=[N+]([O-])c1cc(-c2nnc(Cc3ccc(Cl)cc3)o2)c([O-])c([N+](=O)[O-])c1 ZINC001254313391 1040166888 /nfs/dbraw/zinc/16/68/88/1040166888.db2.gz QULNXYAZAIPTJR-UHFFFAOYSA-N -1 0 376.712 3.503 20 5 GHBDRM CC(C)=CCc1c([O-])cc(O[C@@H]2COC(=O)C2)c2c(=O)c3cccc(O)c3oc12 ZINC001234742343 1040267969 /nfs/dbraw/zinc/26/79/69/1040267969.db2.gz XMBSHWJPKQKTPO-LBPRGKRZSA-N -1 0 396.395 3.560 20 5 GHBDRM 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ZINC001290562640 1049879304 /nfs/dbraw/zinc/87/93/04/1049879304.db2.gz XPXVKRBXMNJIDJ-UHFFFAOYSA-N -1 0 382.775 3.682 20 5 GHBDRM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001309280053 1050550916 /nfs/dbraw/zinc/55/09/16/1050550916.db2.gz KHXLVMBBUJNAJA-NWDGAFQWSA-N -1 0 396.893 3.730 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@H](c2ccccn2)C2CCC2)c1 ZINC001328850487 1050658746 /nfs/dbraw/zinc/65/87/46/1050658746.db2.gz HUWUMRZDLQISOO-INIZCTEOSA-N -1 0 399.831 3.602 20 5 GHBDRM C[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2C1 ZINC001318239887 1054518375 /nfs/dbraw/zinc/51/83/75/1054518375.db2.gz BWENLVINUXUSOO-MRVPVSSYSA-N -1 0 387.870 3.630 20 5 GHBDRM O=C(NCCc1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001441610273 1058822781 /nfs/dbraw/zinc/82/27/81/1058822781.db2.gz DLMLQZROEWCIQR-UHFFFAOYSA-N -1 0 392.411 3.852 20 5 GHBDRM O=C(Nc1cccc2c(Br)ccnc12)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001449640020 1060438910 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Cc1cc(C)cc([C@@H](NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000578208019 835564208 /nfs/dbraw/zinc/56/42/08/835564208.db2.gz LTWYUEVXSLXPRN-KBXCAEBGSA-N -1 0 385.420 3.706 20 5 GHBDRM O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164947208 835768679 /nfs/dbraw/zinc/76/86/79/835768679.db2.gz POWLDOQEWGRQMK-SFHVURJKSA-N -1 0 383.791 3.868 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000364610694 836066769 /nfs/dbraw/zinc/06/67/69/836066769.db2.gz ATBMLFLWFPOGDI-LBPRGKRZSA-N -1 0 385.351 3.601 20 5 GHBDRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000609761484 836100309 /nfs/dbraw/zinc/10/03/09/836100309.db2.gz QKLNTYUVUPAXLR-UHFFFAOYSA-N -1 0 388.405 3.528 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2scnc2-c2ccccc2)c(F)c1 ZINC000180165548 836475210 /nfs/dbraw/zinc/47/52/10/836475210.db2.gz BHJOPJGFOSDLMG-UHFFFAOYSA-N -1 0 379.394 3.658 20 5 GHBDRM CC(C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000728721056 838076707 /nfs/dbraw/zinc/07/67/07/838076707.db2.gz UGRZKRSHSMMSCW-UHFFFAOYSA-N -1 0 398.824 3.614 20 5 GHBDRM O=[N+]([O-])c1ccc(OC(F)F)c([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)c1 ZINC000255132732 838291117 /nfs/dbraw/zinc/29/11/17/838291117.db2.gz NGNFPQOQUBVNQR-FPLPWBNLSA-N -1 0 388.323 3.748 20 5 GHBDRM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000179502917 838548192 /nfs/dbraw/zinc/54/81/92/838548192.db2.gz GUGZCNVCGATGEB-SANMLTNESA-N -1 0 376.434 3.600 20 5 GHBDRM Cc1cc(C)c(N=c2[n-]nc(Sc3c([N+](=O)[O-])ncn3C)s2)c(Cl)c1 ZINC000610337890 838549303 /nfs/dbraw/zinc/54/93/03/838549303.db2.gz DWASZZLEMZATIC-UHFFFAOYSA-N -1 0 396.885 3.767 20 5 GHBDRM O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000512966364 844380398 /nfs/dbraw/zinc/38/03/98/844380398.db2.gz INPFDWJUCJPNAS-NDEPHWFRSA-N -1 0 396.424 3.861 20 5 GHBDRM O=C(Nc1ccc(O)c(C(F)(F)F)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 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CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c1 ZINC000427115700 852746836 /nfs/dbraw/zinc/74/68/36/852746836.db2.gz CMYGGQXXOKMSAE-UHFFFAOYSA-N -1 0 398.824 3.534 20 5 GHBDRM Cc1ccc([C@H]2OCCC[C@@H]2N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000509549216 852900117 /nfs/dbraw/zinc/90/01/17/852900117.db2.gz NPLHSYWEFJAXNB-ZWKOTPCHSA-N -1 0 380.404 3.707 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000427353631 852994797 /nfs/dbraw/zinc/99/47/97/852994797.db2.gz ZFOBRPOGWWNSIL-UHFFFAOYSA-N -1 0 377.447 3.876 20 5 GHBDRM Cc1nc(-c2ccc(CCNC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc2)cs1 ZINC000506106413 853420957 /nfs/dbraw/zinc/42/09/57/853420957.db2.gz BFCBLJSYRDKBAK-UHFFFAOYSA-N -1 0 383.429 3.705 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(OC(F)(F)F)c1 ZINC000491065835 853435127 /nfs/dbraw/zinc/43/51/27/853435127.db2.gz LTZJYTZFMUWILK-UHFFFAOYSA-N -1 0 396.730 3.948 20 5 GHBDRM Cc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1NC(=O)c1ccncc1 ZINC000506107472 853437117 /nfs/dbraw/zinc/43/71/17/853437117.db2.gz GMBKVULGVJIDAM-UHFFFAOYSA-N -1 0 392.371 3.508 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCc2cc(Br)c(Cl)cc21 ZINC000586810767 853539348 /nfs/dbraw/zinc/53/93/48/853539348.db2.gz MNNVAWMAHALHIF-UHFFFAOYSA-N -1 0 397.612 3.919 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cccc(OC2CCCC2)c1 ZINC000518643976 853602085 /nfs/dbraw/zinc/60/20/85/853602085.db2.gz JAKYLKDIGMKUMH-UHFFFAOYSA-N -1 0 380.397 3.856 20 5 GHBDRM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)cc2)n1 ZINC000481974121 862566305 /nfs/dbraw/zinc/56/63/05/862566305.db2.gz NMVPCFIHEJHCSK-UHFFFAOYSA-N -1 0 398.444 3.778 20 5 GHBDRM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000186039181 862601083 /nfs/dbraw/zinc/60/10/83/862601083.db2.gz YMHANJYGJHBFSM-UHFFFAOYSA-N -1 0 375.690 3.928 20 5 GHBDRM O=C([O-])CCSCc1cccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000262099140 855123907 /nfs/dbraw/zinc/12/39/07/855123907.db2.gz MPHKVOUQFAVFBP-UHFFFAOYSA-N -1 0 388.445 3.874 20 5 GHBDRM O=C(Nc1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1)c1cccs1 ZINC000164078534 862663071 /nfs/dbraw/zinc/66/30/71/862663071.db2.gz VYPOIZWVVAJYLH-UHFFFAOYSA-N -1 0 383.385 3.867 20 5 GHBDRM O=C([O-])c1ccccc1C1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000590844975 855609739 /nfs/dbraw/zinc/60/97/39/855609739.db2.gz LWHZCEIVIUNNLX-UHFFFAOYSA-N -1 0 388.807 3.966 20 5 GHBDRM CSc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000184764940 855798666 /nfs/dbraw/zinc/79/86/66/855798666.db2.gz WWOQOYQNHKHGLE-UHFFFAOYSA-N -1 0 375.431 3.666 20 5 GHBDRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000184765506 855800767 /nfs/dbraw/zinc/80/07/67/855800767.db2.gz MDNPQTABLBWJLV-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM COc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])sc2c1 ZINC000123202074 856078383 /nfs/dbraw/zinc/07/83/83/856078383.db2.gz QZFGTLRHYVCHKV-UHFFFAOYSA-N -1 0 399.837 3.667 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc2cccnc21 ZINC000427625598 856109290 /nfs/dbraw/zinc/10/92/90/856109290.db2.gz GMFRIFGVAQRCQR-UHFFFAOYSA-N -1 0 387.417 3.569 20 5 GHBDRM O=C(Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1)c1cccs1 ZINC000038613000 856214547 /nfs/dbraw/zinc/21/45/47/856214547.db2.gz BYVGXWMWAJDEMC-UHFFFAOYSA-N -1 0 383.385 3.867 20 5 GHBDRM COc1ccc2[nH]cc(C3CCN(C(=O)c4ccc([O-])c([N+](=O)[O-])c4)CC3)c2c1 ZINC000164357549 862785086 /nfs/dbraw/zinc/78/50/86/862785086.db2.gz UJGZTJALFFQDLZ-UHFFFAOYSA-N -1 0 395.415 3.810 20 5 GHBDRM CC(C)c1nc(/C=C/c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ncc1C(=O)[O-] ZINC000172555180 856475488 /nfs/dbraw/zinc/47/54/88/856475488.db2.gz XQYMYCBFEZPKCS-RMKNXTFCSA-N -1 0 393.403 3.777 20 5 GHBDRM CSc1cccc(C(=O)N=c2nc(-c3sccc3C)[n-]s2)c1[N+](=O)[O-] ZINC000485502602 856674577 /nfs/dbraw/zinc/67/45/77/856674577.db2.gz HTZZPKUKSGEQGJ-UHFFFAOYSA-N -1 0 392.487 3.879 20 5 GHBDRM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)nc1 ZINC000733250740 862824653 /nfs/dbraw/zinc/82/46/53/862824653.db2.gz IQGAWBNVGJMTFL-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM CCOc1ccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c([N+](=O)[O-])c1 ZINC000427789849 856714473 /nfs/dbraw/zinc/71/44/73/856714473.db2.gz QAHPKRCHTIIKHF-UHFFFAOYSA-N -1 0 393.446 3.712 20 5 GHBDRM CC(C)c1nccn1Cc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000427915026 856872747 /nfs/dbraw/zinc/87/27/47/856872747.db2.gz IZTMQNQQJHROPV-UHFFFAOYSA-N -1 0 380.404 3.921 20 5 GHBDRM O=C([O-])c1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000485666284 856901629 /nfs/dbraw/zinc/90/16/29/856901629.db2.gz FQTBSAVORYUZQT-DZGCQCFKSA-N -1 0 394.305 3.598 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)c1C ZINC000508119925 856949335 /nfs/dbraw/zinc/94/93/35/856949335.db2.gz SFVMVSAQMZCMRQ-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM CC(=O)c1cc(N2CCC(Cc3ccccc3C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000592980485 857146712 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UBFWDBKEBTUFJL-IBGZPJMESA-N -1 0 382.372 3.779 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[nH]nc1-c1ccccc1 ZINC000543644082 859187087 /nfs/dbraw/zinc/18/70/87/859187087.db2.gz BXFHBRGEUKKWGK-UHFFFAOYSA-N -1 0 386.433 3.711 20 5 GHBDRM CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000483441391 859376868 /nfs/dbraw/zinc/37/68/68/859376868.db2.gz OKRNCAAWPBNYNP-DIOULYMOSA-N -1 0 398.415 3.765 20 5 GHBDRM O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611553617 859809572 /nfs/dbraw/zinc/80/95/72/859809572.db2.gz FMSMCLMCNYJJRU-UHFFFAOYSA-N -1 0 396.428 3.572 20 5 GHBDRM COc1ccc([C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000611553517 859809719 /nfs/dbraw/zinc/80/97/19/859809719.db2.gz LMOLYKVCYNXPGT-HXUWFJFHSA-N -1 0 378.384 3.828 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)c1C ZINC000474388262 859978647 /nfs/dbraw/zinc/97/86/47/859978647.db2.gz JGTCATBCLGJMGZ-UHFFFAOYSA-N -1 0 386.376 3.656 20 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Cc1ccc(C)c([C@H]2CN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])[C@@H](C)CO2)c1 ZINC000593738678 861119711 /nfs/dbraw/zinc/11/97/11/861119711.db2.gz WQXXGKLHLWEDLQ-MGPUTAFESA-N -1 0 384.432 3.872 20 5 GHBDRM Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593740001 861133389 /nfs/dbraw/zinc/13/33/89/861133389.db2.gz GBURWWKIUHYDJZ-SFHVURJKSA-N -1 0 380.404 3.517 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2cc(C)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000792702464 881627154 /nfs/dbraw/zinc/62/71/54/881627154.db2.gz UJJYEZSOHZIZLM-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000159911910 863150773 /nfs/dbraw/zinc/15/07/73/863150773.db2.gz FNCFTQSPMYGOTM-UHFFFAOYSA-N -1 0 396.475 3.538 20 5 GHBDRM C[C@@H](c1ccccc1Br)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000159990539 863221841 /nfs/dbraw/zinc/22/18/41/863221841.db2.gz DBFZVFBTPRGWNB-JTQLQIEISA-N -1 0 379.210 3.896 20 5 GHBDRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000734082415 863985671 /nfs/dbraw/zinc/98/56/71/863985671.db2.gz XXDQWVSQTIINLQ-LBPRGKRZSA-N -1 0 388.873 3.660 20 5 GHBDRM CCCCn1ncc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C(C)C ZINC000480200664 864252507 /nfs/dbraw/zinc/25/25/07/864252507.db2.gz NRCIMSJJGMIFAL-UHFFFAOYSA-N -1 0 380.470 3.824 20 5 GHBDRM Cc1sc(C(=O)N=c2[n-]nc(-c3cc(F)ccc3C)s2)cc1[N+](=O)[O-] ZINC000469871416 864260147 /nfs/dbraw/zinc/26/01/47/864260147.db2.gz GMDUFPIAAYHFMZ-UHFFFAOYSA-N -1 0 378.410 3.605 20 5 GHBDRM O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000184335227 864357219 /nfs/dbraw/zinc/35/72/19/864357219.db2.gz HQSXIXAEOLMYFY-CYBMUJFWSA-N -1 0 376.237 3.612 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)c1C ZINC000480648993 865036416 /nfs/dbraw/zinc/03/64/16/865036416.db2.gz WGSCBYFGSIWECO-UHFFFAOYSA-N -1 0 378.406 3.520 20 5 GHBDRM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000444399174 866064452 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ODTPIIGMKNBMBD-UHFFFAOYSA-N -1 0 383.429 3.930 20 5 GHBDRM Cc1c(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000237838950 891714653 /nfs/dbraw/zinc/71/46/53/891714653.db2.gz YIHINVWVHGEQET-CQSZACIVSA-N -1 0 380.759 3.642 20 5 GHBDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(F)c1 ZINC000497868840 892584724 /nfs/dbraw/zinc/58/47/24/892584724.db2.gz PNKHDBTYAFAAEX-UHFFFAOYSA-N -1 0 388.804 3.975 20 5 GHBDRM O=C(NCCOc1ccccc1-c1ccccc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000508685132 892627157 /nfs/dbraw/zinc/62/71/57/892627157.db2.gz FSXWYRKTPRIMQR-UHFFFAOYSA-N -1 0 378.384 3.776 20 5 GHBDRM CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000563959636 894373568 /nfs/dbraw/zinc/37/35/68/894373568.db2.gz JJNWQXJHRUUVKF-UHFFFAOYSA-N -1 0 383.404 3.577 20 5 GHBDRM CNc1ccc(C(=O)NCc2c(C(=O)[O-])sc3ccsc32)cc1[N+](=O)[O-] ZINC000537370103 894844841 /nfs/dbraw/zinc/84/48/41/894844841.db2.gz WFAZNFJPIXDDED-UHFFFAOYSA-N -1 0 391.430 3.541 20 5 GHBDRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n[nH]1 ZINC000760318095 895169177 /nfs/dbraw/zinc/16/91/77/895169177.db2.gz QPGLZSWSBAKPAQ-VIFPVBQESA-N -1 0 386.861 3.984 20 5 GHBDRM O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1CC2(C1)CCCCC2 ZINC000818057070 896036971 /nfs/dbraw/zinc/03/69/71/896036971.db2.gz QLJOQAAPKLZWAU-UHFFFAOYSA-N -1 0 390.827 3.546 20 5 GHBDRM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1Cl ZINC000821177387 897781859 /nfs/dbraw/zinc/78/18/59/897781859.db2.gz CCMDSRVAIBOXMK-UHFFFAOYSA-N -1 0 384.694 3.605 20 5 GHBDRM Cc1ccc(C)n1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000568513517 897900198 /nfs/dbraw/zinc/90/01/98/897900198.db2.gz FXMJAMKDBQPRAB-UHFFFAOYSA-N -1 0 377.828 3.849 20 5 GHBDRM CC(C)COC[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccco1 ZINC001136545070 898230893 /nfs/dbraw/zinc/23/08/93/898230893.db2.gz ORHRFLWUPXJJFM-CYBMUJFWSA-N -1 0 382.800 3.691 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000155951162 899243504 /nfs/dbraw/zinc/24/35/04/899243504.db2.gz ZEWXJAJHDUIYAW-UHFFFAOYSA-N -1 0 399.794 3.664 20 5 GHBDRM CC(C)Cn1ncc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1C1CC1 ZINC000570754405 899561069 /nfs/dbraw/zinc/56/10/69/899561069.db2.gz NNNZKAHICCGYQM-UHFFFAOYSA-N -1 0 398.872 3.779 20 5 GHBDRM Cc1cc(N2CCC[C@@H](c3ncc4n3CCCC4)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000571049274 899723751 /nfs/dbraw/zinc/72/37/51/899723751.db2.gz GRKICJLOPJTIGS-CQSZACIVSA-N -1 0 384.436 3.518 20 5 GHBDRM Cc1c(C(=O)[O-])cnn1C1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000844217620 900582564 /nfs/dbraw/zinc/58/25/64/900582564.db2.gz HPBSGGRXMBILSA-UHFFFAOYSA-N -1 0 398.341 3.658 20 5 GHBDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC001137233786 901379476 /nfs/dbraw/zinc/37/94/76/901379476.db2.gz BVVXLOYZHACLLF-UHFFFAOYSA-N -1 0 398.394 3.599 20 5 GHBDRM O=C([O-])Cc1ccc(N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000576043197 901613261 /nfs/dbraw/zinc/61/32/61/901613261.db2.gz GNUZANCLHWCJKJ-YJBOKZPZSA-N -1 0 376.796 3.817 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000047521713 902101501 /nfs/dbraw/zinc/10/15/01/902101501.db2.gz SFTGTRLBFJMWAC-UHFFFAOYSA-N -1 0 392.176 3.611 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc(N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000600799064 902935262 /nfs/dbraw/zinc/93/52/62/902935262.db2.gz CZIPWZWRJMPWGP-WMLDXEAASA-N -1 0 397.431 3.703 20 5 GHBDRM COC(=O)c1ccc(NCc2cc(OC)c([O-])c([N+](=O)[O-])c2)c2ccccc12 ZINC000600849045 903002757 /nfs/dbraw/zinc/00/27/57/903002757.db2.gz DBPMVJAXSREUGM-UHFFFAOYSA-N -1 0 382.372 3.861 20 5 GHBDRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cc1 ZINC000600879304 903039228 /nfs/dbraw/zinc/03/92/28/903039228.db2.gz VDAPMGGUARCZIR-ZWKOTPCHSA-N -1 0 380.400 3.843 20 5 GHBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)n1 ZINC000579479060 904637515 /nfs/dbraw/zinc/63/75/15/904637515.db2.gz NTFJMCMZOUDLOA-ABAIWWIYSA-N -1 0 391.811 3.616 20 5 GHBDRM COc1cc(Br)c(C)nc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503930 907078497 /nfs/dbraw/zinc/07/84/97/907078497.db2.gz OXPOTCYRCLMNMB-UHFFFAOYSA-N -1 0 382.170 3.511 20 5 GHBDRM Cc1nc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nc(Cl)c1Br ZINC001176672221 908202166 /nfs/dbraw/zinc/20/21/66/908202166.db2.gz JYWYIALVFKERCD-UHFFFAOYSA-N -1 0 387.577 3.551 20 5 GHBDRM Cc1cnc(N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c([N+](=O)[O-])c1 ZINC000266217661 909036869 /nfs/dbraw/zinc/03/68/69/909036869.db2.gz PPAFNMPKOYSRSN-UHFFFAOYSA-N -1 0 390.827 3.512 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000774060336 911312985 /nfs/dbraw/zinc/31/29/85/911312985.db2.gz BAOQLPOQAWMIAW-LBPRGKRZSA-N -1 0 380.322 3.949 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000093104001 912061858 /nfs/dbraw/zinc/06/18/58/912061858.db2.gz WQFSYYBJQWKMBE-UHFFFAOYSA-N -1 0 380.404 3.730 20 5 GHBDRM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(F)(F)F ZINC001189733964 916891753 /nfs/dbraw/zinc/89/17/53/916891753.db2.gz RUCVOICZBUKHNR-KBUNVGBDSA-N -1 0 392.758 3.643 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)ccc1[O-] ZINC001191348168 917919824 /nfs/dbraw/zinc/91/98/24/917919824.db2.gz MXKBVDVBPZSVDT-OCCSQVGLSA-N -1 0 396.852 3.568 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000007052333 918374438 /nfs/dbraw/zinc/37/44/38/918374438.db2.gz BEPQQXRFZWZUFF-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000800844699 920521650 /nfs/dbraw/zinc/52/16/50/920521650.db2.gz HBLQOLXOPGXYPN-UHFFFAOYSA-N -1 0 395.746 3.771 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc(Cc2ccccc2)cs1 ZINC000409485443 924678933 /nfs/dbraw/zinc/67/89/33/924678933.db2.gz OEWNJYOKCILPTP-UHFFFAOYSA-N -1 0 389.458 3.751 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCCC3)c([N+](=O)[O-])c1 ZINC000409545751 924745927 /nfs/dbraw/zinc/74/59/27/924745927.db2.gz ACHQTUNMMHWADO-UHFFFAOYSA-N -1 0 381.479 3.820 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2cc(F)c(F)cc2s1 ZINC000409638635 924842079 /nfs/dbraw/zinc/84/20/79/924842079.db2.gz OHJDXVDIOLEMRF-UHFFFAOYSA-N -1 0 399.400 3.846 20 5 GHBDRM O=C(Nc1cccc2c1CN(c1nccs1)C2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000371870014 924929686 /nfs/dbraw/zinc/92/96/86/924929686.db2.gz MFPBTOWUKSMWAU-UHFFFAOYSA-N -1 0 382.401 3.529 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000409912630 925125912 /nfs/dbraw/zinc/12/59/12/925125912.db2.gz QPMWOTFVHXLJET-BZNIZROVSA-N -1 0 380.759 3.809 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)cc1[N+](=O)[O-] ZINC000466958147 928542950 /nfs/dbraw/zinc/54/29/50/928542950.db2.gz RJXZKBCZJKXJEC-UHFFFAOYSA-N -1 0 386.426 3.693 20 5 GHBDRM COc1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc2c1O[C@H](C)C2 ZINC000758470094 930055241 /nfs/dbraw/zinc/05/52/41/930055241.db2.gz XROKKIJGBGGDTC-MRVPVSSYSA-N -1 0 378.768 3.538 20 5 GHBDRM CCCCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000781514748 930875276 /nfs/dbraw/zinc/87/52/76/930875276.db2.gz SWQZBYXTWDJFBT-GOSISDBHSA-N -1 0 384.498 3.580 20 5 GHBDRM CCCCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000781514749 930875663 /nfs/dbraw/zinc/87/56/63/930875663.db2.gz SWQZBYXTWDJFBT-SFHVURJKSA-N -1 0 384.498 3.580 20 5 GHBDRM Cn1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000557435933 931425249 /nfs/dbraw/zinc/42/52/49/931425249.db2.gz DTTKZYVLXMZTON-UHFFFAOYSA-N -1 0 390.758 3.746 20 5 GHBDRM C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000783864777 931697366 /nfs/dbraw/zinc/69/73/66/931697366.db2.gz XGSACLGHQVHEQQ-SNVBAGLBSA-N -1 0 398.824 3.627 20 5 GHBDRM Cc1ccc([C@H](C)NC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000559578068 932741640 /nfs/dbraw/zinc/74/16/40/932741640.db2.gz JAVKARCUOPVAGB-GJZGRUSLSA-N -1 0 385.420 3.649 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000560591850 933367622 /nfs/dbraw/zinc/36/76/22/933367622.db2.gz QKQKKIQMRJLTJW-LBPRGKRZSA-N -1 0 397.214 3.901 20 5 GHBDRM O=C([O-])C1CCN(c2ccc(CN(Cc3ccc([N+](=O)[O-])cc3)C3CC3)o2)CC1 ZINC001594939039 954863960 /nfs/dbraw/zinc/86/39/60/954863960.db2.gz LJVVYUIKSMCBQU-UHFFFAOYSA-N -1 0 399.447 3.653 20 5 GHBDRM C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C(=O)[O-] ZINC001589028946 955514139 /nfs/dbraw/zinc/51/41/39/955514139.db2.gz QNZFFTLSQXOFOI-GFCCVEGCSA-N -1 0 380.466 3.670 20 5 GHBDRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001594387400 958688791 /nfs/dbraw/zinc/68/87/91/958688791.db2.gz GBDGZKVOIULRKE-SNVBAGLBSA-N -1 0 378.768 3.661 20 5 GHBDRM Cc1c(NC(=O)c2cccc(OCC(=O)[O-])c2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001574304263 960729254 /nfs/dbraw/zinc/72/92/54/960729254.db2.gz LWWABBXLVXYYRR-UHFFFAOYSA-N -1 0 398.293 3.638 20 5 GHBDRM Cc1cccc([C@H](NCc2cc([N+](=O)[O-])ccc2Br)C(=O)[O-])c1 ZINC001605331582 973212199 /nfs/dbraw/zinc/21/21/99/973212199.db2.gz XSCHDDJOJQJBKT-HNNXBMFYSA-N -1 0 379.210 3.581 20 5 GHBDRM O=C([O-])c1cnc(C2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)s1 ZINC000600678851 975006075 /nfs/dbraw/zinc/00/60/75/975006075.db2.gz VWSQQIPQNYRSDP-UHFFFAOYSA-N -1 0 384.417 3.682 20 5 GHBDRM C[C@@H](CC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1 ZINC001592433585 978068072 /nfs/dbraw/zinc/06/80/72/978068072.db2.gz LTXPIAGCZYEMOM-JTQLQIEISA-N -1 0 391.763 3.761 20 5 GHBDRM CC[C@H](C)n1nc(NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cc1C ZINC001595024286 979127367 /nfs/dbraw/zinc/12/73/67/979127367.db2.gz SJQDNFYDHGGCGK-VIFPVBQESA-N -1 0 375.385 3.721 20 5 GHBDRM C[C@@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC001592728850 979238915 /nfs/dbraw/zinc/23/89/15/979238915.db2.gz GOPXQBTTYCWEJI-KJJQSCHISA-N -1 0 394.387 3.958 20 5 GHBDRM CC[C@@](CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC)(C(=O)[O-])c1ccccc1 ZINC001595172962 979747571 /nfs/dbraw/zinc/74/75/71/979747571.db2.gz VUHDCYHSJPAFIE-FQEVSTJZSA-N -1 0 386.404 3.534 20 5 GHBDRM O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(F)c(F)c1[O-] ZINC001625987871 1014639619 /nfs/dbraw/zinc/63/96/19/1014639619.db2.gz GTQXVWUIVUEMHZ-UHFFFAOYSA-N -1 0 380.350 3.777 20 5 GHBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccoc1C(=O)[O-] ZINC001595791869 982590821 /nfs/dbraw/zinc/59/08/21/982590821.db2.gz IPYCSWMIESCEJT-UHFFFAOYSA-N -1 0 378.406 3.708 20 5 GHBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ncc(C(=O)[O-])s1 ZINC001595792548 982593559 /nfs/dbraw/zinc/59/35/59/982593559.db2.gz VOSCPOCPRBXARX-UHFFFAOYSA-N -1 0 395.462 3.572 20 5 GHBDRM CCN(Cc1cccc(Br)c1)c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001596364595 983850718 /nfs/dbraw/zinc/85/07/18/983850718.db2.gz PFJZHBDBUWJVOK-UHFFFAOYSA-N -1 0 394.225 3.785 20 5 GHBDRM CCNc1ccc(C(=O)Nc2ncc(C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC001596501340 984255056 /nfs/dbraw/zinc/25/50/56/984255056.db2.gz PMLRYUYLAPQZHQ-UHFFFAOYSA-N -1 0 380.360 3.525 20 5 GHBDRM CCOC(=O)c1ccnc(N[C@H](CCC(=O)[O-])CC2CCCCC2)c1[N+](=O)[O-] ZINC001596732570 985011966 /nfs/dbraw/zinc/01/19/66/985011966.db2.gz KETWFEFJNINPBR-CQSZACIVSA-N -1 0 393.440 3.782 20 5 GHBDRM CCOC(=O)c1oc2ccccc2c1COc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001596755813 985132238 /nfs/dbraw/zinc/13/22/38/985132238.db2.gz JDLNIVMPAVZYAZ-UHFFFAOYSA-N -1 0 385.328 3.795 20 5 GHBDRM Cc1[nH]c(C(=O)[C@@H](C)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c(C)c1C(=O)[O-] ZINC001599942829 985477115 /nfs/dbraw/zinc/47/71/15/985477115.db2.gz UYTQXPCJXSUMPI-LLVKDONJSA-N -1 0 393.827 3.595 20 5 GHBDRM CC(=O)c1ccc2c(c1)CCN(c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])CC2 ZINC001589301838 986061513 /nfs/dbraw/zinc/06/15/13/986061513.db2.gz GNVDKIMTMWHKLF-UHFFFAOYSA-N -1 0 388.807 3.754 20 5 GHBDRM C[C@@H]1CN(c2ccc(Nc3ccc(CC(=O)[O-])cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC001594575285 986410791 /nfs/dbraw/zinc/41/07/91/986410791.db2.gz JRQHRHNSDTXQOX-ZIAGYGMSSA-N -1 0 385.420 3.579 20 5 GHBDRM C[C@H](C(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589385129 986473528 /nfs/dbraw/zinc/47/35/28/986473528.db2.gz CBFROHLVKPQFPX-VHFSOBRXSA-N -1 0 396.443 3.778 20 5 GHBDRM CCOc1ccc(C(=O)N(CC(=O)[O-])[C@H](CC)c2ccccc2)cc1[N+](=O)[O-] ZINC001597055589 986532031 /nfs/dbraw/zinc/53/20/31/986532031.db2.gz IFOSDPRSNQIUNY-MRXNPFEDSA-N -1 0 386.404 3.672 20 5 GHBDRM C[C@H](C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)c1cccc([N+](=O)[O-])c1 ZINC001589406902 986595027 /nfs/dbraw/zinc/59/50/27/986595027.db2.gz LCSGPFJDHGAHKC-GUYCJALGSA-N -1 0 382.416 3.633 20 5 GHBDRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)c1ccc([N+](=O)[O-])cc1F ZINC001589432002 986737860 /nfs/dbraw/zinc/73/78/60/986737860.db2.gz VUVJUNRKJBBQTM-QMMMGPOBSA-N -1 0 398.293 3.776 20 5 GHBDRM C[C@@H](C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1F ZINC001589553158 987289178 /nfs/dbraw/zinc/28/91/78/987289178.db2.gz KTKOJNDJLDVZLF-LLVKDONJSA-N -1 0 375.352 3.805 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC001597563869 988319830 /nfs/dbraw/zinc/31/98/30/988319830.db2.gz YPMDSTNDIBHYIS-KRWDZBQOSA-N -1 0 387.392 3.503 20 5 GHBDRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001597576524 988367347 /nfs/dbraw/zinc/36/73/47/988367347.db2.gz NDYFJRMTKANNPX-JTQLQIEISA-N -1 0 392.795 3.915 20 5 GHBDRM CSc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1C(=O)[O-] ZINC001599816113 988426694 /nfs/dbraw/zinc/42/66/94/988426694.db2.gz AOYLFKHVFWGTRG-UHFFFAOYSA-N -1 0 385.401 3.608 20 5 GHBDRM CC(C)(C)OC(=O)N1CCC(CCOc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001589973801 988819118 /nfs/dbraw/zinc/81/91/18/988819118.db2.gz KAPDMSQMZFVQMT-UHFFFAOYSA-N -1 0 394.424 3.709 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)N2CCOc3ccccc3[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001590475372 990049280 /nfs/dbraw/zinc/04/92/80/990049280.db2.gz LMHCUVLEMHRJPG-GOSISDBHSA-N -1 0 398.415 3.553 20 5 GHBDRM CC(C)(C)c1nc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)sc1C(=O)[O-] ZINC001590545671 990184497 /nfs/dbraw/zinc/18/44/97/990184497.db2.gz ZVJVZDYLVIHFQY-UHFFFAOYSA-N -1 0 385.348 3.578 20 5 GHBDRM CC(C)(C)n1cncc1[C@@H]1CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001590603176 990265046 /nfs/dbraw/zinc/26/50/46/990265046.db2.gz RRUDQLNTIANEGQ-OAHLLOKOSA-N -1 0 386.452 3.557 20 5 GHBDRM CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2s1 ZINC001598079559 990395405 /nfs/dbraw/zinc/39/54/05/990395405.db2.gz XGJVVUKAJWORRV-UHFFFAOYSA-N -1 0 391.792 3.833 20 5 GHBDRM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001591051971 991455467 /nfs/dbraw/zinc/45/54/67/991455467.db2.gz KOQRLZFZAKMUFH-MRXNPFEDSA-N -1 0 392.795 3.989 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)NCc2cc(C(=O)[O-])co2)cc1[N+](=O)[O-] ZINC001591266938 992183353 /nfs/dbraw/zinc/18/33/53/992183353.db2.gz XTJSZOKPWUJKGX-UHFFFAOYSA-N -1 0 392.433 3.954 20 5 GHBDRM CC(C)CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)(C)C(=O)[O-] ZINC001591285017 992221694 /nfs/dbraw/zinc/22/16/94/992221694.db2.gz KWKMTBLQTIWRFV-UHFFFAOYSA-N -1 0 376.331 3.575 20 5 GHBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001598530757 992776673 /nfs/dbraw/zinc/77/66/73/992776673.db2.gz GMLHMNGFBBOAOD-UHFFFAOYSA-N -1 0 389.433 3.826 20 5 GHBDRM C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593115100 993798450 /nfs/dbraw/zinc/79/84/50/993798450.db2.gz KDULYRJILCOYKV-RISCZKNCSA-N -1 0 391.811 3.702 20 5 GHBDRM C[C@](NC(=O)c1cc(C2CC2)oc1C1CC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593150522 993958187 /nfs/dbraw/zinc/95/81/87/993958187.db2.gz SCXFNQQEHKTKEL-HXUWFJFHSA-N -1 0 384.388 3.672 20 5 GHBDRM C[C@@](NC(=O)c1cccc2c1CCCCC2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593176074 994051847 /nfs/dbraw/zinc/05/18/47/994051847.db2.gz JRIHEUWPTGTSNZ-NRFANRHFSA-N -1 0 382.416 3.594 20 5 GHBDRM COc1cccc([C@H](C(=O)[O-])N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001599650687 994494279 /nfs/dbraw/zinc/49/42/79/994494279.db2.gz OBJRTBNRADLFMS-GOSISDBHSA-N -1 0 397.387 3.516 20 5 GHBDRM COC(=O)[C@H](C)c1cccc(Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC001598691401 995071604 /nfs/dbraw/zinc/07/16/04/995071604.db2.gz IPNHVLXKQWCFME-SECBINFHSA-N -1 0 378.768 3.967 20 5 GHBDRM C[C@H](O)C[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])c1ccccc1 ZINC001593449372 995337826 /nfs/dbraw/zinc/33/78/26/995337826.db2.gz CSKZMRQFHCUOCL-AAEUAGOBSA-N -1 0 378.812 3.913 20 5 GHBDRM C[C@@H](c1ccccc1)n1cnnc1SCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593714154 996228320 /nfs/dbraw/zinc/22/83/20/996228320.db2.gz VDVPFZWVGMNUAQ-LBPRGKRZSA-N -1 0 384.417 3.786 20 5 GHBDRM CC1(C)CCC[C@](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)(C(=O)[O-])C1 ZINC001593893038 996744969 /nfs/dbraw/zinc/74/49/69/996744969.db2.gz WJYPASIACRGISQ-MRXNPFEDSA-N -1 0 399.241 3.511 20 5 GHBDRM COC[C@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001599176490 996854455 /nfs/dbraw/zinc/85/44/55/996854455.db2.gz CMPRQFSDCPNBPM-HNNXBMFYSA-N -1 0 398.337 3.789 20 5 GHBDRM COc1ccc(C(=O)Nc2nc(C3CCCC3)c(C(=O)[O-])s2)cc1[N+](=O)[O-] ZINC001599486899 996865861 /nfs/dbraw/zinc/86/58/61/996865861.db2.gz FETWBULIKJKKRP-UHFFFAOYSA-N -1 0 391.405 3.668 20 5 GHBDRM COc1ccc(C(=O)[O-])c2c1CN(Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC001599502243 997145876 /nfs/dbraw/zinc/14/58/76/997145876.db2.gz YREYKDISAUYMFR-UHFFFAOYSA-N -1 0 376.796 3.513 20 5 GHBDRM COc1ccc([C@@H]2CCCN2c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001599539597 997811102 /nfs/dbraw/zinc/81/11/02/997811102.db2.gz MQONCXGXBKZCED-HNNXBMFYSA-N -1 0 387.348 3.551 20 5 GHBDRM COc1cc(OC)c(OC)cc1CSc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599450016 998076405 /nfs/dbraw/zinc/07/64/05/998076405.db2.gz VERGOWFTBQUPRN-UHFFFAOYSA-N -1 0 379.390 3.611 20 5 GHBDRM COC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2Br)cc(C(=O)[O-])c1 ZINC001598950782 998146894 /nfs/dbraw/zinc/14/68/94/998146894.db2.gz NKCKFUMUDWYOBC-UHFFFAOYSA-N -1 0 396.149 3.634 20 5 GHBDRM COc1cc2c(cc1Cl)CN(c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])CC2 ZINC001599464205 998330160 /nfs/dbraw/zinc/33/01/60/998330160.db2.gz BESLTJFARPPHQI-UHFFFAOYSA-N -1 0 376.796 3.826 20 5 GHBDRM COc1cc(C(=O)[O-])ccc1CCNc1cccc(Br)c1[N+](=O)[O-] ZINC001599368639 998374836 /nfs/dbraw/zinc/37/48/36/998374836.db2.gz WBZSYWABNMEMPY-UHFFFAOYSA-N -1 0 395.209 3.719 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-] ZINC000468918125 1016215265 /nfs/dbraw/zinc/21/52/65/1016215265.db2.gz KHHJUBUDUBTGHC-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM C[C@H]1C[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C[C@@H](C)C1 ZINC001594223401 998861862 /nfs/dbraw/zinc/86/18/62/998861862.db2.gz VGDGNMQLZAHLBX-WDNDVIMCSA-N -1 0 394.493 3.964 20 5 GHBDRM CO[C@@](C)(CNc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC001599034117 999071643 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HCICLUAYKJLGAR-UHFFFAOYSA-N -1 0 380.350 3.777 20 5 GHBDRM CC1(C)CCC[C@H](CC(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000756533250 1023701955 /nfs/dbraw/zinc/70/19/55/1023701955.db2.gz RWEMUUABENYCKR-LLVKDONJSA-N -1 0 388.873 3.660 20 5 GHBDRM CC(C)(C)OC(=O)N1CCC2(CC[C@H]2Oc2cc(O)cc([O-])c2[N+](=O)[O-])CC1 ZINC001228968148 1033206542 /nfs/dbraw/zinc/20/65/42/1033206542.db2.gz HRUOGEVHSDHHTM-OAHLLOKOSA-N -1 0 394.424 3.565 20 5 GHBDRM CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc(O)cc([O-])c2[N+](=O)[O-])CC12CCC2 ZINC001228970046 1033208229 /nfs/dbraw/zinc/20/82/29/1033208229.db2.gz FFEQQOPKDVGIMX-CYBMUJFWSA-N -1 0 394.424 3.707 20 5 GHBDRM CC(C)(C)OC(=O)N1CCCC2(CC(Oc3cc(O)cc([O-])c3[N+](=O)[O-])C2)C1 ZINC001228969945 1033208735 /nfs/dbraw/zinc/20/87/35/1033208735.db2.gz DXYHSNJBQGRWMR-UHFFFAOYSA-N -1 0 394.424 3.565 20 5 GHBDRM O=[N+]([O-])c1cccc(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)c1F ZINC001210384618 1027483249 /nfs/dbraw/zinc/48/32/49/1027483249.db2.gz QUENFLZSFFKAKH-UHFFFAOYSA-N -1 0 378.337 3.583 20 5 GHBDRM CC(C)(C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)CC(F)F ZINC001213558100 1028265395 /nfs/dbraw/zinc/26/53/95/1028265395.db2.gz QCWHFXAXQKGARY-UHFFFAOYSA-N -1 0 391.223 3.861 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])c(-c2nc(-c3cc(F)ccc3Br)no2)c1 ZINC001215378545 1029180473 /nfs/dbraw/zinc/18/04/73/1029180473.db2.gz JDOXJGJESQUCMB-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM COc1c(C)cc(-c2noc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])n2)cc1C ZINC001216713035 1029902070 /nfs/dbraw/zinc/90/20/70/1029902070.db2.gz DQKUWSLPDRLUCZ-UHFFFAOYSA-N -1 0 386.320 3.551 20 5 GHBDRM O=C(NCCc1cccc(OCc2ccccc2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001150975816 1030730058 /nfs/dbraw/zinc/73/00/58/1030730058.db2.gz LXKPGWACTLMBBN-UHFFFAOYSA-N -1 0 392.411 3.852 20 5 GHBDRM O=[N+]([O-])c1ccc([C@@H](OCc2ccc(S(=O)(=O)[O-])cc2)C(F)(F)F)cc1 ZINC001223747431 1030735860 /nfs/dbraw/zinc/73/58/60/1030735860.db2.gz WXPGFMZVCBWNEB-CQSZACIVSA-N -1 0 391.323 3.662 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC001151855256 1031029152 /nfs/dbraw/zinc/02/91/52/1031029152.db2.gz XIZJGLXHYCSLHZ-APWZRJJASA-N -1 0 384.432 3.809 20 5 GHBDRM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1C(=O)c1ccccc1 ZINC001152936127 1031400045 /nfs/dbraw/zinc/40/00/45/1031400045.db2.gz SFXIBDKXUUBDMS-UHFFFAOYSA-N -1 0 392.367 3.792 20 5 GHBDRM CCCSc1nc(O[C@@H](C)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229793272 1033720413 /nfs/dbraw/zinc/72/04/13/1033720413.db2.gz YEDWAMBCARAZQR-VIFPVBQESA-N -1 0 380.382 3.641 20 5 GHBDRM CSc1nc(Cl)nc([N-][C@@H](c2ccccn2)C(F)(F)F)c1[N+](=O)[O-] ZINC001157684927 1033722498 /nfs/dbraw/zinc/72/24/98/1033722498.db2.gz TZFUSYBOYQWASL-QMMMGPOBSA-N -1 0 379.751 3.871 20 5 GHBDRM COc1c([O-])cc(O[C@H](C[N+](=O)[O-])C2CC2)c2c(=O)cc(-c3ccccc3)oc12 ZINC001229980024 1033829084 /nfs/dbraw/zinc/82/90/84/1033829084.db2.gz MEXCULIFNHPUET-GOSISDBHSA-N -1 0 397.383 3.608 20 5 GHBDRM CC(C)C(=O)OCC(C)(C)[C@@H](Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC001231222900 1034471132 /nfs/dbraw/zinc/47/11/32/1034471132.db2.gz CVDCFZJHGPTODC-INIZCTEOSA-N -1 0 398.412 3.837 20 5 GHBDRM O=[N+]([O-])c1ccccc1C=C([O-])c1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC001248978452 1036260280 /nfs/dbraw/zinc/26/02/80/1036260280.db2.gz KQCVVDCOUHKWGK-UHFFFAOYSA-N -1 0 378.388 3.670 20 5 GHBDRM O=c1c2cccc(O)c2oc2cc(O)cc(OC[C@@H]3Cc4ccccc4O3)c21 ZINC001234749024 1040274382 /nfs/dbraw/zinc/27/43/82/1040274382.db2.gz VVAJNWOKWLIEGE-AWEZNQCLSA-N -1 0 376.364 3.740 20 5 GHBDRM CCOc1ccc(-c2nnc(-c3cc([O-])c(F)cc3[N+](=O)[O-])o2)cc1OCC ZINC001255045725 1040749351 /nfs/dbraw/zinc/74/93/51/1040749351.db2.gz BBCQEZAIJNPTQN-UHFFFAOYSA-N -1 0 389.339 3.954 20 5 GHBDRM CCO[C@@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C12CCCCC2 ZINC001293666474 1044285369 /nfs/dbraw/zinc/28/53/69/1044285369.db2.gz WTGSBLYIVQOSII-LSDHHAIUSA-N -1 0 382.844 3.812 20 5 GHBDRM Cc1cc(S(=O)(=O)NCCOc2ccc(C(C)C)cc2)c(F)cc1[N+](=O)[O-] ZINC001462828228 1070578113 /nfs/dbraw/zinc/57/81/13/1070578113.db2.gz AMRWAZZNELQDPN-UHFFFAOYSA-N -1 0 396.440 3.523 20 5 GHBDRM CCc1nc2ccccc2n1CCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001295613853 1045070841 /nfs/dbraw/zinc/07/08/41/1045070841.db2.gz CPNVQEKVRWXRIZ-UHFFFAOYSA-N -1 0 388.811 3.895 20 5 GHBDRM CCCOc1ccc(OCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC001295614449 1045072158 /nfs/dbraw/zinc/07/21/58/1045072158.db2.gz LBUVWRJSMQABDY-UHFFFAOYSA-N -1 0 380.784 3.760 20 5 GHBDRM Cc1cc2cc3ccc(N(C)C)cc3nc2cc1[N-]S(=O)(=O)c1cccnc1 ZINC001259609492 1045243060 /nfs/dbraw/zinc/24/30/60/1045243060.db2.gz ZEHRWRDUSGIKRP-UHFFFAOYSA-N -1 0 392.484 3.958 20 5 GHBDRM O=C(Nc1nc2c(cccc2Br)s1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001297562847 1045571651 /nfs/dbraw/zinc/57/16/51/1045571651.db2.gz QWWGJBXISYWLED-UHFFFAOYSA-N -1 0 394.206 3.925 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)NCC2CCC(c3ccccc3)CC2)ccc1[O-] ZINC001463059488 1070763778 /nfs/dbraw/zinc/76/37/78/1070763778.db2.gz RWYMCUPYZLYSRZ-UHFFFAOYSA-N -1 0 390.461 3.553 20 5 GHBDRM CSc1cc(Cl)c(C(F)(F)F)cc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001287316739 1048713080 /nfs/dbraw/zinc/71/30/80/1048713080.db2.gz FYIRKQVCICPMKQ-UHFFFAOYSA-N -1 0 394.762 3.975 20 5 GHBDRM COC(C)(C)c1nsc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC001287631941 1048858739 /nfs/dbraw/zinc/85/87/39/1048858739.db2.gz IBXBKGNFEVQUIA-UHFFFAOYSA-N -1 0 390.343 3.599 20 5 GHBDRM COc1cnc([C@@H]2CCCN2Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[nH]c1=O ZINC001308142811 1049881239 /nfs/dbraw/zinc/88/12/39/1049881239.db2.gz WVWMFLWVEOBIMC-LBPRGKRZSA-N -1 0 399.234 3.743 20 5 GHBDRM Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(OC(C)C)c1 ZINC001309288689 1050560262 /nfs/dbraw/zinc/56/02/62/1050560262.db2.gz SRJVZYOBRGECPA-UHFFFAOYSA-N -1 0 398.868 3.822 20 5 GHBDRM C[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001318499744 1054681323 /nfs/dbraw/zinc/68/13/23/1054681323.db2.gz YHYPBJDLPILZFP-NSHDSACASA-N -1 0 388.873 3.660 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccn(C3CCCCC3)n2)c1F ZINC001320924608 1056017160 /nfs/dbraw/zinc/01/71/60/1056017160.db2.gz BMDQHYNWBLEBQG-UHFFFAOYSA-N -1 0 382.417 3.545 20 5 GHBDRM O=C(NCc1cccc(COc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001442005371 1058903149 /nfs/dbraw/zinc/90/31/49/1058903149.db2.gz LPVCIGMOOBLJLH-UHFFFAOYSA-N -1 0 378.384 3.809 20 5 GHBDRM CC(C)(CNC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1Br ZINC001446382738 1059769446 /nfs/dbraw/zinc/76/94/46/1059769446.db2.gz ACAVNYLKIKOLKJ-UHFFFAOYSA-N -1 0 393.237 3.771 20 5 GHBDRM O=C(N[C@H](c1ccccc1)C1(CO)CCCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001452461643 1060941918 /nfs/dbraw/zinc/94/19/18/1060941918.db2.gz XPDNQJCEJHSSFZ-LJQANCHMSA-N -1 0 384.432 3.714 20 5 GHBDRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001458540818 1063876812 /nfs/dbraw/zinc/87/68/12/1063876812.db2.gz DKIUQSIEQSVIQD-LBPRGKRZSA-N -1 0 386.157 3.549 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)ccc1[O-] ZINC001463706407 1064560242 /nfs/dbraw/zinc/56/02/42/1064560242.db2.gz BLVYDCMQGSFWER-NVXWUHKLSA-N -1 0 390.461 3.553 20 5 GHBDRM CCc1nnc(-c2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])cc2)o1 ZINC001465434768 1065610371 /nfs/dbraw/zinc/61/03/71/1065610371.db2.gz CUNOTQNOFBMCHG-UHFFFAOYSA-N -1 0 388.767 3.819 20 5 GHBDRM CC(C)(C)OC(=O)[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)(C)C ZINC001466408843 1066137254 /nfs/dbraw/zinc/13/72/54/1066137254.db2.gz JLNKDFKLBJPRSA-LBPRGKRZSA-N -1 0 386.832 3.896 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(=O)c2ccc(Cl)cc2o1 ZINC001466409097 1066138186 /nfs/dbraw/zinc/13/81/86/1066138186.db2.gz UPOZVQBVJFSFMC-UHFFFAOYSA-N -1 0 395.154 3.966 20 5 GHBDRM C[C@@H]1[C@@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001460302488 1068914645 /nfs/dbraw/zinc/91/46/45/1068914645.db2.gz ZKHLBGDWIGSTJI-BFHYXJOUSA-N -1 0 379.457 3.519 20 5 GHBDRM C[C@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001471578184 1073144764 /nfs/dbraw/zinc/14/47/64/1073144764.db2.gz QIZPZCFBLIQBEF-LJQANCHMSA-N -1 0 394.349 3.955 20 5 GHBDRM CC(C)c1cc([C@H]2CCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)[nH]n1 ZINC001471713100 1073192915 /nfs/dbraw/zinc/19/29/15/1073192915.db2.gz WIAAQFDLTMQQFH-NSHDSACASA-N -1 0 392.843 3.820 20 5 GHBDRM O=c1[n-]n(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c(=O)c(Cl)c1Cl ZINC001473068468 1073768517 /nfs/dbraw/zinc/76/85/17/1073768517.db2.gz GRAXJYUBQKJNMB-UHFFFAOYSA-N -1 0 384.990 3.519 20 5 GHBDRM CCc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC001474991667 1074672254 /nfs/dbraw/zinc/67/22/54/1074672254.db2.gz WFZJKUWNELDFMX-OAHLLOKOSA-N -1 0 394.449 3.762 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccccc2Cl)CC2CC2)ccc1[O-] ZINC001475287151 1074823311 /nfs/dbraw/zinc/82/33/11/1074823311.db2.gz OPMAWEYLEKVKJZ-UHFFFAOYSA-N -1 0 396.852 3.555 20 5 GHBDRM O=C([O-])c1cc(C(=O)Nc2ccc(OCc3ccncc3)cc2)cc([N+](=O)[O-])c1 ZINC000738673547 599754862 /nfs/dbraw/zinc/75/48/62/599754862.db2.gz RBMIPQLHKPSENX-UHFFFAOYSA-N -1 0 393.355 3.519 20 5 GHBDRM CC(C)c1noc(-c2ccc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2)n1 ZINC000736538425 599798668 /nfs/dbraw/zinc/79/86/68/599798668.db2.gz SULBCYDFAFTOBW-UHFFFAOYSA-N -1 0 396.359 3.719 20 5 GHBDRM CCCC[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000736981896 599919531 /nfs/dbraw/zinc/91/95/31/599919531.db2.gz JVGJIUIXORCGPB-SFHVURJKSA-N -1 0 386.404 3.963 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H](c1ccccc1)c1ccccn1 ZINC000740098709 600075828 /nfs/dbraw/zinc/07/58/28/600075828.db2.gz XTPIGIGVEUQFQN-QGZVFWFLSA-N -1 0 394.343 3.798 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[C@@H](c2ccccc2)CC1 ZINC000740095596 600126637 /nfs/dbraw/zinc/12/66/37/600126637.db2.gz JRKKBGUHHNUFRW-CQSZACIVSA-N -1 0 385.376 3.975 20 5 GHBDRM O=C([O-])c1cc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc([N+](=O)[O-])c1 ZINC000739323953 600188350 /nfs/dbraw/zinc/18/83/50/600188350.db2.gz NFWCWESKVPHJGS-UHFFFAOYSA-N -1 0 392.367 3.978 20 5 GHBDRM CC(=O)N(Cc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cc1)C1CC1 ZINC000736130036 600206061 /nfs/dbraw/zinc/20/60/61/600206061.db2.gz ISLJGCDEQIRRAE-VZUCSPMQSA-N -1 0 395.415 3.947 20 5 GHBDRM O=C([O-])c1cn(CC(=O)OCc2cc([N+](=O)[O-])ccc2Cl)c2ccccc12 ZINC000739359784 600209392 /nfs/dbraw/zinc/20/93/92/600209392.db2.gz QYJWATLXLUWEPY-UHFFFAOYSA-N -1 0 388.763 3.645 20 5 GHBDRM C[C@@H](Sc1nc2ccc(C(=O)[O-])cc2o1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000736715304 600278045 /nfs/dbraw/zinc/27/80/45/600278045.db2.gz CWJJUOJBVKOJEH-SECBINFHSA-N -1 0 387.373 3.554 20 5 GHBDRM O=C([O-])c1ccc2nc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)oc2c1 ZINC000740212205 600279058 /nfs/dbraw/zinc/27/90/58/600279058.db2.gz FLJRHFUCQUNQES-UHFFFAOYSA-N -1 0 388.357 3.593 20 5 GHBDRM CC(C)(C)[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1cccs1 ZINC000736242463 600443413 /nfs/dbraw/zinc/44/34/13/600443413.db2.gz NSACJBNPLHCWLR-MRXNPFEDSA-N -1 0 392.433 3.637 20 5 GHBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736703665 600453767 /nfs/dbraw/zinc/45/37/67/600453767.db2.gz WMICCLVAZMAGOR-PSLIRLAXSA-N -1 0 397.742 3.524 20 5 GHBDRM CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1C(=O)[O-] ZINC000737060122 600524388 /nfs/dbraw/zinc/52/43/88/600524388.db2.gz YIKIHGVUHWJGCQ-UHFFFAOYSA-N -1 0 383.404 3.560 20 5 GHBDRM O=C([O-])c1cc(NC(=O)COc2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000739324705 600542542 /nfs/dbraw/zinc/54/25/42/600542542.db2.gz RIINGEAJDKCSLK-UHFFFAOYSA-N -1 0 385.159 3.617 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2ccnc(OCc3ccccc3)c2)cc([N+](=O)[O-])c1 ZINC000740087403 600543011 /nfs/dbraw/zinc/54/30/11/600543011.db2.gz BRUKHKVNILGVCI-UHFFFAOYSA-N -1 0 393.355 3.519 20 5 GHBDRM Cc1cc(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000439945498 600603673 /nfs/dbraw/zinc/60/36/73/600603673.db2.gz NOEIJUSCKYKRDC-IBGZPJMESA-N -1 0 392.411 3.730 20 5 GHBDRM O=C([O-])c1ccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000739416354 600626800 /nfs/dbraw/zinc/62/68/00/600626800.db2.gz WXIXWYSDUMBIOA-UHFFFAOYSA-N -1 0 375.356 3.577 20 5 GHBDRM CC(C)(C)C(=O)c1ccsc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736241299 600674237 /nfs/dbraw/zinc/67/42/37/600674237.db2.gz KYFCOKLXTOANDG-UHFFFAOYSA-N -1 0 376.390 3.836 20 5 GHBDRM CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000828770495 600688885 /nfs/dbraw/zinc/68/88/85/600688885.db2.gz PGZACTAUPYMXMA-NSHDSACASA-N -1 0 378.406 3.607 20 5 GHBDRM O=C([O-])[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000833351408 600721216 /nfs/dbraw/zinc/72/12/16/600721216.db2.gz QXDBKEFPTBBZFA-ZDUSSCGKSA-N -1 0 387.241 3.735 20 5 GHBDRM O=C([O-])COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000819532407 600841905 /nfs/dbraw/zinc/84/19/05/600841905.db2.gz KLTVHNFVFJETAF-UHFFFAOYSA-N -1 0 385.159 3.617 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000736714590 600847732 /nfs/dbraw/zinc/84/77/32/600847732.db2.gz YCSCCBIURFGECA-OLZOCXBDSA-N -1 0 386.429 3.681 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827914624 601065582 /nfs/dbraw/zinc/06/55/82/601065582.db2.gz BJKKWTXSLSLRGB-BONVTDFDSA-N -1 0 379.365 3.584 20 5 GHBDRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000833178813 601079993 /nfs/dbraw/zinc/07/99/93/601079993.db2.gz ZBVBWKPOKRPXQF-WMLDXEAASA-N -1 0 392.477 3.569 20 5 GHBDRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000833177671 601092845 /nfs/dbraw/zinc/09/28/45/601092845.db2.gz BDFBIBVVPVLGCQ-SCLBCKFNSA-N -1 0 385.420 3.572 20 5 GHBDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000826038939 601246927 /nfs/dbraw/zinc/24/69/27/601246927.db2.gz JHKKHPNXSMWKAS-MEBBXXQBSA-N -1 0 377.784 3.832 20 5 GHBDRM COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OC/C=C(\C)C(=O)[O-])cc1 ZINC000832449411 601416479 /nfs/dbraw/zinc/41/64/79/601416479.db2.gz OYGRAPFXHFGIQE-FMIVXFBMSA-N -1 0 387.344 3.583 20 5 GHBDRM C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccccc3CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000486069154 601615503 /nfs/dbraw/zinc/61/55/03/601615503.db2.gz ZXOKLWLKGYGJIU-CQSZACIVSA-N -1 0 397.431 3.711 20 5 GHBDRM O=C([O-])/C=C/c1ccc(NCc2nnc(-c3ccccc3)s2)c([N+](=O)[O-])c1 ZINC000833198394 601862436 /nfs/dbraw/zinc/86/24/36/601862436.db2.gz ZRPLLEZCFMFUEA-VQHVLOKHSA-N -1 0 382.401 3.823 20 5 GHBDRM O=C([O-])c1ccc(COC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000833103028 602009945 /nfs/dbraw/zinc/00/99/45/602009945.db2.gz KTWROMMNQROIAL-UHFFFAOYSA-N -1 0 385.781 3.520 20 5 GHBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833009355 602081921 /nfs/dbraw/zinc/08/19/21/602081921.db2.gz JXLZPIWPUIEWJQ-ZDUSSCGKSA-N -1 0 385.159 3.588 20 5 GHBDRM CC(C)[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000826714976 602133695 /nfs/dbraw/zinc/13/36/95/602133695.db2.gz BPRPGUKHDXFCAQ-KOEDOTQGSA-N -1 0 381.392 3.545 20 5 GHBDRM Cc1cc(NCc2ccc(C(=O)N3CCCCC3)cc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897038 602312961 /nfs/dbraw/zinc/31/29/61/602312961.db2.gz JULIYHGGTYYACD-UHFFFAOYSA-N -1 0 397.431 3.840 20 5 GHBDRM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000832891169 602317131 /nfs/dbraw/zinc/31/71/31/602317131.db2.gz MMMDCTUHXJNBNB-ZDUSSCGKSA-N -1 0 378.816 3.638 20 5 GHBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739044351 602503859 /nfs/dbraw/zinc/50/38/59/602503859.db2.gz AMANKSGHCVIKLB-SECBINFHSA-N -1 0 379.756 3.744 20 5 GHBDRM 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O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(N2CCCCCC2)cc1 ZINC000731782585 861888018 /nfs/dbraw/zinc/88/80/18/861888018.db2.gz HBBWDCWJTLMEFK-UHFFFAOYSA-N -1 0 393.440 3.915 20 5 GHBDRM CC(C)c1noc(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000522511822 861939288 /nfs/dbraw/zinc/93/92/88/861939288.db2.gz NBDCUYWOHIWQGO-UHFFFAOYSA-N -1 0 388.405 3.569 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc(Oc2cccnc2)cc1 ZINC000583046395 848944287 /nfs/dbraw/zinc/94/42/87/848944287.db2.gz PKHLKFCZXNMXDA-UHFFFAOYSA-N -1 0 389.364 3.722 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3[N+](=O)[O-])cc2)s1 ZINC000052189720 849356575 /nfs/dbraw/zinc/35/65/75/849356575.db2.gz TZMBBBKMKLKTEV-UHFFFAOYSA-N -1 0 391.430 3.953 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccnn1-c1cccc(Cl)c1 ZINC000503900012 849750080 /nfs/dbraw/zinc/75/00/80/849750080.db2.gz GOXCVBBASGHXTE-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2nc3ccc([N+](=O)[O-])cc3s2)cc1F ZINC000430074480 849893315 /nfs/dbraw/zinc/89/33/15/849893315.db2.gz CMHXLYDJVGWOPV-UHFFFAOYSA-N -1 0 385.373 3.592 20 5 GHBDRM CCCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000504253167 849987602 /nfs/dbraw/zinc/98/76/02/849987602.db2.gz HJOWBONYSTYCJM-AWEZNQCLSA-N -1 0 385.420 3.570 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)c([N+](=O)[O-])c1 ZINC000509598731 850095749 /nfs/dbraw/zinc/09/57/49/850095749.db2.gz DTDWPXKZQKTJNP-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM CCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000604370034 862103532 /nfs/dbraw/zinc/10/35/32/862103532.db2.gz VVSDVOISARPFDP-LBPRGKRZSA-N -1 0 390.417 3.818 20 5 GHBDRM Cc1cc(C(=O)NCc2c(C(=O)[O-])sc3ccsc32)cc([N+](=O)[O-])c1 ZINC000439930116 850574421 /nfs/dbraw/zinc/57/44/21/850574421.db2.gz XJIWHRFWGBRSBF-UHFFFAOYSA-N -1 0 376.415 3.808 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000506720858 850592377 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0 382.416 3.706 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000030530221 862293600 /nfs/dbraw/zinc/29/36/00/862293600.db2.gz VVOQABKTVALMHP-UHFFFAOYSA-N -1 0 376.312 3.603 20 5 GHBDRM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cnc2ccc(F)cc2c1 ZINC000436477979 851947888 /nfs/dbraw/zinc/94/78/88/851947888.db2.gz KEHMAQHOAHRVPK-UHFFFAOYSA-N -1 0 375.381 3.700 20 5 GHBDRM O=C(c1ccc(Cl)c(Cl)c1[O-])N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000436611419 852111458 /nfs/dbraw/zinc/11/14/58/852111458.db2.gz OKWNXPPZSHEITG-UHFFFAOYSA-N -1 0 383.187 3.642 20 5 GHBDRM COc1ccc(-c2ccc(CN[C@H](C(=O)[O-])c3ccsc3)o2)c([N+](=O)[O-])c1 ZINC000426831836 852464885 /nfs/dbraw/zinc/46/48/85/852464885.db2.gz GYWQTAVQIUQNTO-KRWDZBQOSA-N -1 0 388.401 3.840 20 5 GHBDRM CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000150884818 852522609 /nfs/dbraw/zinc/52/26/09/852522609.db2.gz VCCFKLGYGYPEAW-UHFFFAOYSA-N -1 0 380.404 3.540 20 5 GHBDRM COc1ccccc1[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000436960671 852531708 /nfs/dbraw/zinc/53/17/08/852531708.db2.gz KYQNVFXHAJSKHU-HXUWFJFHSA-N -1 0 378.384 3.828 20 5 GHBDRM COc1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(OC2CCCC2)c1 ZINC000436969311 852539977 /nfs/dbraw/zinc/53/99/77/852539977.db2.gz YXXCJHCVEZKWFT-UHFFFAOYSA-N -1 0 386.404 3.560 20 5 GHBDRM CCCCOc1ccc([C@@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1OC ZINC000436951907 852541499 /nfs/dbraw/zinc/54/14/99/852541499.db2.gz HBTWETRQVJCPSA-CYBMUJFWSA-N -1 0 388.420 3.979 20 5 GHBDRM O=C(NCc1cc(Oc2ccc(F)cc2)ccn1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436985314 852592999 /nfs/dbraw/zinc/59/29/99/852592999.db2.gz OLKWSEGPVHHVRI-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2nnc(CC3CCCCC3)s2)c([N+](=O)[O-])c1 ZINC000437186571 852844768 /nfs/dbraw/zinc/84/47/68/852844768.db2.gz KDAWMTXJCJHXRP-UHFFFAOYSA-N -1 0 396.494 3.678 20 5 GHBDRM O=C(N=c1nc(-c2ccccc2)[n-]s1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437405187 853098931 /nfs/dbraw/zinc/09/89/31/853098931.db2.gz LIKIWXGUQWATIQ-UHFFFAOYSA-N -1 0 395.444 3.732 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000466957595 853203246 /nfs/dbraw/zinc/20/32/46/853203246.db2.gz KANWKYFFPJEOGA-UHFFFAOYSA-N -1 0 378.378 3.675 20 5 GHBDRM CCSCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000437697978 853431766 /nfs/dbraw/zinc/43/17/66/853431766.db2.gz VFCHPHZLCBPFQO-QMMMGPOBSA-N -1 0 387.310 3.712 20 5 GHBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1csc(-c2ccccc2)n1 ZINC000586750174 853520359 /nfs/dbraw/zinc/52/03/59/853520359.db2.gz DBQZNEYIRZKELO-UHFFFAOYSA-N -1 0 389.458 3.703 20 5 GHBDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000590573161 855494215 /nfs/dbraw/zinc/49/42/15/855494215.db2.gz VUSPTWWABJLYTC-UHFFFAOYSA-N -1 0 384.339 3.960 20 5 GHBDRM Cc1ccc2cccc([N-]S(=O)(=O)c3cc(C)c([N+](=O)[O-])cc3F)c2n1 ZINC000590598213 855504503 /nfs/dbraw/zinc/50/45/03/855504503.db2.gz 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Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)c1C ZINC000058190510 856228516 /nfs/dbraw/zinc/22/85/16/856228516.db2.gz MGDRWUNSBLZLNK-UHFFFAOYSA-N -1 0 383.857 3.732 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)c2ncccc12 ZINC000184834968 856450980 /nfs/dbraw/zinc/45/09/80/856450980.db2.gz AMRBQTYHPIJZOY-UHFFFAOYSA-N -1 0 386.414 3.554 20 5 GHBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ncc(-c3ccccn3)s2)cc1[N+](=O)[O-] ZINC000508067452 856855530 /nfs/dbraw/zinc/85/55/30/856855530.db2.gz IYAJJOFEOZSPFM-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(Cl)cccc2n1 ZINC000508081844 856875339 /nfs/dbraw/zinc/87/53/39/856875339.db2.gz DMPSQTWOKDLTRQ-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(Cl)cccc2n1 ZINC000508075289 856896304 /nfs/dbraw/zinc/89/63/04/856896304.db2.gz XLPDGOALQCJMID-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1csc(-c2ccccn2)n1 ZINC000508125654 856958921 /nfs/dbraw/zinc/95/89/21/856958921.db2.gz AIYLDAGZCKLZLD-UHFFFAOYSA-N -1 0 396.837 3.568 20 5 GHBDRM CC[C@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000485732402 857007872 /nfs/dbraw/zinc/00/78/72/857007872.db2.gz PVCMCMXYFWSMGS-CQSZACIVSA-N -1 0 392.795 3.534 20 5 GHBDRM O=C(NCc1ccnc(Oc2ccccc2F)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000428031052 857041267 /nfs/dbraw/zinc/04/12/67/857041267.db2.gz KFLISVUMHDTHKU-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc(OC2CCC2)c(F)c1 ZINC000175040514 857424347 /nfs/dbraw/zinc/42/43/47/857424347.db2.gz NPDAEGUOYIOGBF-UHFFFAOYSA-N -1 0 384.360 3.605 20 5 GHBDRM COC(=O)c1cc(C)nc([N-]c2cnn(CC(C)C)c2C(F)F)c1[N+](=O)[O-] ZINC000553144947 857807903 /nfs/dbraw/zinc/80/79/03/857807903.db2.gz LXSLYCYYVHCUFO-UHFFFAOYSA-N -1 0 383.355 3.619 20 5 GHBDRM O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000521308731 857837952 /nfs/dbraw/zinc/83/79/52/857837952.db2.gz 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O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c1 ZINC000795325681 909859650 /nfs/dbraw/zinc/85/96/50/909859650.db2.gz WRAVBBURJJEEHP-UHFFFAOYSA-N -1 0 384.694 3.605 20 5 GHBDRM CCCc1nc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)s1 ZINC000795351334 910035871 /nfs/dbraw/zinc/03/58/71/910035871.db2.gz LKHXCQXJVHAOBD-UHFFFAOYSA-N -1 0 393.849 3.906 20 5 GHBDRM CC[C@H]1CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC001187777667 915489268 /nfs/dbraw/zinc/48/92/68/915489268.db2.gz BIGLYYKGAVMRPO-YOEHRIQHSA-N -1 0 390.461 3.505 20 5 GHBDRM O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000007054261 918387337 /nfs/dbraw/zinc/38/73/37/918387337.db2.gz CBQVLGSJGNXZKW-UHFFFAOYSA-N -1 0 396.730 3.773 20 5 GHBDRM COc1cc(C)c(Br)cc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000803097661 922696004 /nfs/dbraw/zinc/69/60/04/922696004.db2.gz FNORMGAHYKRHMI-UHFFFAOYSA-N -1 0 381.182 3.632 20 5 GHBDRM CC[C@H]1CCc2nc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)sc2C1 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390.339 3.731 20 5 GHBDRM COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC000777932206 934210280 /nfs/dbraw/zinc/21/02/80/934210280.db2.gz DDVNVKNSWQGXCD-UHFFFAOYSA-N -1 0 398.412 3.639 20 5 GHBDRM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Br)c1[O-] ZINC001137852204 935825603 /nfs/dbraw/zinc/82/56/03/935825603.db2.gz QCFANVCKCLTOEZ-UHFFFAOYSA-N -1 0 399.628 3.689 20 5 GHBDRM O=C([O-])C[C@H]1CCCN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])C1 ZINC001594993884 951069354 /nfs/dbraw/zinc/06/93/54/951069354.db2.gz MVRNHGHFCGMRMQ-SNVBAGLBSA-N -1 0 394.225 3.597 20 5 GHBDRM O=C([O-])c1ccccc1CC(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001594710070 956874891 /nfs/dbraw/zinc/87/48/91/956874891.db2.gz KFDXCBCNBAJIEP-OAHLLOKOSA-N -1 0 383.278 3.682 20 5 GHBDRM O=C([O-])c1sc(Oc2ccc(Br)cc2[N+](=O)[O-])nc1Cl ZINC000149703779 959023517 /nfs/dbraw/zinc/02/35/17/959023517.db2.gz HADGCPFOIBSLMQ-UHFFFAOYSA-N -1 0 379.575 3.958 20 5 GHBDRM O=C([O-])Cc1ccccc1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 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SESXLNVGLLRSDW-UHFFFAOYSA-N -1 0 375.381 3.929 20 5 GHBDRM CCCOc1cc(OC)ccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595952775 983130224 /nfs/dbraw/zinc/13/02/24/983130224.db2.gz UZPAPQJKHBUVSJ-UHFFFAOYSA-N -1 0 388.376 3.651 20 5 GHBDRM CCCn1c(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc2ccccc21 ZINC001596107615 983432187 /nfs/dbraw/zinc/43/21/87/983432187.db2.gz GSQSXSZDYBGTDX-OAQYLSRUSA-N -1 0 395.415 3.689 20 5 GHBDRM CCOC(=O)[C@@](C)(CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC001596514956 984289729 /nfs/dbraw/zinc/28/97/29/984289729.db2.gz CKOHLAHDSASKCW-ACUNGTFPSA-N -1 0 398.415 3.626 20 5 GHBDRM CCOCCCN(C[C@H](C)C(=O)[O-])c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001596915008 985936244 /nfs/dbraw/zinc/93/62/44/985936244.db2.gz OIAWHTPXEDSGDE-NSHDSACASA-N -1 0 378.347 3.567 20 5 GHBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)c1ccccc1C(=O)[O-] ZINC001599971257 986010267 /nfs/dbraw/zinc/01/02/67/986010267.db2.gz ATDIBHDBJBQVCA-UHFFFAOYSA-N -1 0 393.193 3.641 20 5 GHBDRM CCOc1cc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001597042569 986493959 /nfs/dbraw/zinc/49/39/59/986493959.db2.gz WOYDCDDXUXSFPG-SJKOYZFVSA-N -1 0 387.392 3.577 20 5 GHBDRM CCc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC001597542736 988232848 /nfs/dbraw/zinc/23/28/48/988232848.db2.gz JHILMBSKNXSLFC-JTQLQIEISA-N -1 0 392.795 3.915 20 5 GHBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001599822271 988534931 /nfs/dbraw/zinc/53/49/31/988534931.db2.gz GCRZDDOQXMJDHS-CQSZACIVSA-N -1 0 394.836 3.916 20 5 GHBDRM CC(C)(CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001590774349 990578257 /nfs/dbraw/zinc/57/82/57/990578257.db2.gz RZAZEICMHPORIR-YWEYNIOJSA-N -1 0 384.388 3.811 20 5 GHBDRM CC(C)(NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC001590855903 990742721 /nfs/dbraw/zinc/74/27/21/990742721.db2.gz PRVWNHZHTZBZAB-LSDHHAIUSA-N -1 0 383.404 3.840 20 5 GHBDRM CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001598314258 991294882 /nfs/dbraw/zinc/29/48/82/991294882.db2.gz KBBWGUCSEXAYAS-UHFFFAOYSA-N -1 0 397.309 3.630 20 5 GHBDRM CN(Cc1ccc([N+](=O)[O-])cc1Br)[C@H](C(=O)[O-])c1ccccc1 ZINC001598525387 992713381 /nfs/dbraw/zinc/71/33/81/992713381.db2.gz FMXAPVJNIXAXON-HNNXBMFYSA-N -1 0 379.210 3.615 20 5 GHBDRM COc1ccc2c(CC(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)coc2c1C ZINC001599624132 994124490 /nfs/dbraw/zinc/12/44/90/994124490.db2.gz NOIVQWCVMMTPAX-UHFFFAOYSA-N -1 0 384.344 3.537 20 5 GHBDRM COc1ccc(C(=O)[O-])c2c1CN(c1cccc(C(F)(F)F)c1[N+](=O)[O-])CC2 ZINC001599498661 997067810 /nfs/dbraw/zinc/06/78/10/997067810.db2.gz XCAFQOWTLAAYNX-UHFFFAOYSA-N -1 0 396.321 3.883 20 5 GHBDRM COCc1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C(F)(F)F ZINC001599294939 997123122 /nfs/dbraw/zinc/12/31/22/997123122.db2.gz RTCZIODIZVMKPY-UHFFFAOYSA-N -1 0 398.293 3.711 20 5 GHBDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1cc([N+](=O)[O-])ccc1SC 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FTIDCLDAGFKPDD-UHFFFAOYSA-N -1 0 383.154 3.560 20 5 GHBDRM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C1 ZINC001594219388 998842308 /nfs/dbraw/zinc/84/23/08/998842308.db2.gz IHVIRHAPVXBVHQ-UPJWGTAASA-N -1 0 380.466 3.668 20 5 GHBDRM C[C@H]1CC[C@@](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)(C(=O)[O-])c2ccccc21 ZINC001594312487 999199391 /nfs/dbraw/zinc/19/93/91/999199391.db2.gz BUASGFGIPKXJLI-QKVFXAPYSA-N -1 0 393.399 3.683 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2SC)ccc1[N+](=O)[O-] ZINC000469056762 1016386204 /nfs/dbraw/zinc/38/62/04/1016386204.db2.gz RWYWLDIMTSZHHW-UHFFFAOYSA-N -1 0 388.854 3.780 20 5 GHBDRM COc1ccccc1[C@@H](Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC001227095541 1032269340 /nfs/dbraw/zinc/26/93/40/1032269340.db2.gz KSXSQDWTYMCGKD-CQSZACIVSA-N -1 0 395.293 3.935 20 5 GHBDRM C[C@H](Oc1cc2cc(S(=O)(=O)[O-])ccc2cc1O)c1ccccc1[N+](=O)[O-] ZINC001227636221 1032496043 /nfs/dbraw/zinc/49/60/43/1032496043.db2.gz UNIFLMRNHYIAPC-NSHDSACASA-N -1 0 389.385 3.840 20 5 GHBDRM O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@@H]2CC[C@H](OCc3ccccc3)C2)[n-]1 ZINC001228243748 1032860266 /nfs/dbraw/zinc/86/02/66/1032860266.db2.gz BIMMYIFIURWWFS-JKSUJKDBSA-N -1 0 381.388 3.760 20 5 GHBDRM Cc1cc2nc3nc(=O)[n-]c(OCc4cncc(OC(C)C)c4)c3nc2cc1C ZINC001228687448 1033045933 /nfs/dbraw/zinc/04/59/33/1033045933.db2.gz XAUREGBGWKUIHI-UHFFFAOYSA-N -1 0 391.431 3.657 20 5 GHBDRM COc1ccc([C@H](C)Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])cc1OC ZINC001228859199 1033140581 /nfs/dbraw/zinc/14/05/81/1033140581.db2.gz IZFAKVJKCMYNJM-QMMMGPOBSA-N -1 0 388.298 3.871 20 5 GHBDRM O=C(NCc1ccnc(OC2CCCC2)c1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001141614640 1025902985 /nfs/dbraw/zinc/90/29/85/1025902985.db2.gz IBNZWLLNEYCAKN-UHFFFAOYSA-N -1 0 391.811 3.600 20 5 GHBDRM O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001139705471 1026551046 /nfs/dbraw/zinc/55/10/46/1026551046.db2.gz UPUZGIGLOLAOHP-NSHDSACASA-N -1 0 396.230 3.616 20 5 GHBDRM O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC001141775270 1027212418 /nfs/dbraw/zinc/21/24/18/1027212418.db2.gz LQXGKQZLZHJJCE-UHFFFAOYSA-N -1 0 376.237 3.527 20 5 GHBDRM COc1ccc(I)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210401231 1027492104 /nfs/dbraw/zinc/49/21/04/1027492104.db2.gz RVMBHPWIISIUJY-UHFFFAOYSA-N -1 0 386.145 3.657 20 5 GHBDRM O=[N+]([O-])c1ccc(F)c(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)c1F ZINC001215297721 1029136850 /nfs/dbraw/zinc/13/68/50/1029136850.db2.gz OOGRXMHGTHHONE-UHFFFAOYSA-N -1 0 396.327 3.722 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])c(-c2nc(-c3cccc(F)c3Br)no2)c1 ZINC001215379877 1029181491 /nfs/dbraw/zinc/18/14/91/1029181491.db2.gz CFUYXOQZZGJWMG-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM COc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3[O-])n2)cc1Br ZINC001216558415 1029685009 /nfs/dbraw/zinc/68/50/09/1029685009.db2.gz SGENQRCXBDRDLZ-UHFFFAOYSA-N -1 0 392.165 3.789 20 5 GHBDRM CC1(C)CC(=O)c2ccc(-c3noc(-c4cc([O-])ccc4[N+](=O)[O-])n3)cc2O1 ZINC001216682087 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ZINC000788318076 878016255 /nfs/dbraw/zinc/01/62/55/878016255.db2.gz MYUDHUAEFNRNKE-KRWDZBQOSA-N -1 0 383.335 3.835 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000180162361 878623825 /nfs/dbraw/zinc/62/38/25/878623825.db2.gz UNFMONBXWCKXBL-UHFFFAOYSA-N -1 0 385.785 3.574 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000776632649 878658381 /nfs/dbraw/zinc/65/83/81/878658381.db2.gz GPSSHQITLGJJLA-AWEZNQCLSA-N -1 0 380.466 3.716 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2csc(-c3ccncc3)n2)c1 ZINC000461119931 879206789 /nfs/dbraw/zinc/20/67/89/879206789.db2.gz ADJANWAKLKLZNR-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM Cc1cccc(C2(NS(=O)(=O)c3cc(F)c(C)cc3[N+](=O)[O-])CCC2)c1 ZINC001212289061 879334093 /nfs/dbraw/zinc/33/40/93/879334093.db2.gz RDFQXCLUQJHWRU-UHFFFAOYSA-N -1 0 378.425 3.708 20 5 GHBDRM CC(C)c1noc2ncc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])cc21 ZINC000180784477 879356251 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390.552 3.503 20 5 GHBDRM Cc1ccc(-c2cc(C(=O)[N-]c3cc4c(cc3[N+](=O)[O-])OCCCO4)on2)cc1 ZINC000123279054 883326141 /nfs/dbraw/zinc/32/61/41/883326141.db2.gz KEMHLDKPHGPAHC-UHFFFAOYSA-N -1 0 395.371 3.972 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000609657819 883497170 /nfs/dbraw/zinc/49/71/70/883497170.db2.gz GQTVEHCYNWSXFH-UHFFFAOYSA-N -1 0 376.312 3.603 20 5 GHBDRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000556219403 884172960 /nfs/dbraw/zinc/17/29/60/884172960.db2.gz JIXMGKGDAWDLAS-QGZVFWFLSA-N -1 0 386.404 3.673 20 5 GHBDRM CCOCCOc1ccc(Cl)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000476237900 884305529 /nfs/dbraw/zinc/30/55/29/884305529.db2.gz YBRFKJXQPGGBID-UHFFFAOYSA-N -1 0 380.784 3.621 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)ccc1Cl ZINC000761841030 884773331 /nfs/dbraw/zinc/77/33/31/884773331.db2.gz PGIIJDSHDFSEDG-UHFFFAOYSA-N -1 0 384.845 3.820 20 5 GHBDRM CC(C)n1ncc2c1nc(/C=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])cc2C(=O)[O-] ZINC000806560956 884812555 /nfs/dbraw/zinc/81/25/55/884812555.db2.gz SAFMUKQCJYYSCP-HWKANZROSA-N -1 0 397.347 3.697 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000761954823 885036347 /nfs/dbraw/zinc/03/63/47/885036347.db2.gz WAKJGOWADQQIBN-UHFFFAOYSA-N -1 0 380.184 3.545 20 5 GHBDRM O=C([O-])/C=C/c1ccc(NCc2cc(Cl)c3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000915211220 886014447 /nfs/dbraw/zinc/01/44/47/886014447.db2.gz NGSZLLTZBOKGCR-DUXPYHPUSA-N -1 0 390.779 3.729 20 5 GHBDRM COc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c(C)c1C ZINC000808116367 886028158 /nfs/dbraw/zinc/02/81/58/886028158.db2.gz REMLHKXRQMUXKO-UHFFFAOYSA-N -1 0 382.413 3.777 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)c1F ZINC000863427383 887098695 /nfs/dbraw/zinc/09/86/95/887098695.db2.gz WFCNRHLTVOZABX-UHFFFAOYSA-N -1 0 394.424 3.737 20 5 GHBDRM COc1ccc(OC(F)(F)F)cc1CNc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001168497307 887236300 /nfs/dbraw/zinc/23/63/00/887236300.db2.gz YEFRUIWEAOCPSB-UHFFFAOYSA-N -1 0 386.282 3.812 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1OCC(F)(F)F ZINC000032590739 887426176 /nfs/dbraw/zinc/42/61/76/887426176.db2.gz AUUPYUHNTFEMNS-UHFFFAOYSA-N -1 0 390.339 3.645 20 5 GHBDRM CCCCc1n[n-]c(=NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000454244670 887513325 /nfs/dbraw/zinc/51/33/25/887513325.db2.gz QMZQBCDPJSBEFN-AWEZNQCLSA-N -1 0 389.481 3.622 20 5 GHBDRM Cc1ncc(-c2ccccc2)cc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000760270391 888637958 /nfs/dbraw/zinc/63/79/58/888637958.db2.gz MMDBUSNKUBFJMK-UHFFFAOYSA-N -1 0 387.392 3.905 20 5 GHBDRM COc1ccc(-c2csc(-c3cc([N+](=O)[O-])ccc3N)n2)c2occ([O-])c21 ZINC000811633440 889799008 /nfs/dbraw/zinc/79/90/08/889799008.db2.gz OAORFSXVAVKCAO-UHFFFAOYSA-N -1 0 383.385 3.551 20 5 GHBDRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000811713334 889891395 /nfs/dbraw/zinc/89/13/95/889891395.db2.gz ZOCNRZQXQIIMQI-UHFFFAOYSA-N -1 0 392.767 3.644 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](C1CC1)C1CCC1 ZINC001212074403 891686079 /nfs/dbraw/zinc/68/60/79/891686079.db2.gz CXCDIWQPQWCSBV-CYBMUJFWSA-N -1 0 379.265 3.759 20 5 GHBDRM C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000497732812 892316584 /nfs/dbraw/zinc/31/65/84/892316584.db2.gz REXZRAXBDRMKLV-JTQLQIEISA-N -1 0 386.795 3.714 20 5 GHBDRM Cc1ccc(/C=C\S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000917738828 892453095 /nfs/dbraw/zinc/45/30/95/892453095.db2.gz CTKOHVGWLHKOHP-HJWRWDBZSA-N -1 0 384.360 3.917 20 5 GHBDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000498007714 892978436 /nfs/dbraw/zinc/97/84/36/892978436.db2.gz DCWDKDUOQFNNRR-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM COc1ccccc1-c1cc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)no1 ZINC000918149315 893272774 /nfs/dbraw/zinc/27/27/74/893272774.db2.gz SLRHRWSXGUDQNP-UHFFFAOYSA-N -1 0 375.287 3.789 20 5 GHBDRM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1cccc(F)c1F ZINC000815028949 893382692 /nfs/dbraw/zinc/38/26/92/893382692.db2.gz HFHZRZHCKKFILA-ZETCQYMHSA-N -1 0 394.758 3.705 20 5 GHBDRM COc1cccc(C[C@H]2CCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000563182746 893446610 /nfs/dbraw/zinc/44/66/10/893446610.db2.gz MDSQORMRYJRLIR-CQSZACIVSA-N -1 0 390.823 3.810 20 5 GHBDRM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000536700444 893573579 /nfs/dbraw/zinc/57/35/79/893573579.db2.gz RZEVPHHTOAKVFG-UHFFFAOYSA-N -1 0 394.449 3.577 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)c1 ZINC000194657996 893754741 /nfs/dbraw/zinc/75/47/41/893754741.db2.gz QQOJCBGOHZKJDG-UHFFFAOYSA-N -1 0 396.384 3.599 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3)on2)cc1C ZINC000564704649 895199496 /nfs/dbraw/zinc/19/94/96/895199496.db2.gz UFTDJODHNVWIJY-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1OCC 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/nfs/dbraw/zinc/63/45/55/897634555.db2.gz KYPVYVMQHIBKCU-UHFFFAOYSA-N -1 0 390.339 3.753 20 5 GHBDRM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c1 ZINC000821115856 897717516 /nfs/dbraw/zinc/71/75/16/897717516.db2.gz DMYUVNKFHQSLBI-UHFFFAOYSA-N -1 0 392.176 3.611 20 5 GHBDRM Cc1cc(N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568637267 897999281 /nfs/dbraw/zinc/99/92/81/897999281.db2.gz LKJNCWHUZUYPSD-CEXWTWQISA-N -1 0 382.416 3.610 20 5 GHBDRM O=C(NCc1ccc(-n2cnc3ccccc32)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC001136652722 898734719 /nfs/dbraw/zinc/73/47/19/898734719.db2.gz BSGUMIZDBZNNDT-UHFFFAOYSA-N -1 0 388.383 3.569 20 5 GHBDRM Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)cc1 ZINC001137000729 900013444 /nfs/dbraw/zinc/01/34/44/900013444.db2.gz PJPBLUDNCMDYBQ-CQSZACIVSA-N -1 0 389.839 3.661 20 5 GHBDRM CC(=O)c1ccc(N2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)c([N+](=O)[O-])c1 ZINC000844219046 900584321 /nfs/dbraw/zinc/58/43/21/900584321.db2.gz 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COC(=O)c1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)ccc1Br ZINC001174504251 907080159 /nfs/dbraw/zinc/08/01/59/907080159.db2.gz HGWVWMRFSWRBEA-UHFFFAOYSA-N -1 0 395.165 3.586 20 5 GHBDRM COC(=O)c1cc(Br)cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174504041 907080372 /nfs/dbraw/zinc/08/03/72/907080372.db2.gz AGTLOUZPSAVIES-UHFFFAOYSA-N -1 0 395.165 3.586 20 5 GHBDRM Nc1cc2c(ccn2-c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1Br ZINC001174507623 907082009 /nfs/dbraw/zinc/08/20/09/907082009.db2.gz PAQATFCOQGANLC-UHFFFAOYSA-N -1 0 376.166 3.582 20 5 GHBDRM CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])ccc21 ZINC000779660350 908073289 /nfs/dbraw/zinc/07/32/89/908073289.db2.gz CMJPZRGXIRAGLN-UHFFFAOYSA-N -1 0 399.403 3.850 20 5 GHBDRM COC(=O)c1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc(C(F)(F)F)c1 ZINC001176680747 908207992 /nfs/dbraw/zinc/20/79/92/908207992.db2.gz WRFCJZRSDNEOGA-UHFFFAOYSA-N -1 0 384.266 3.842 20 5 GHBDRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795339538 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O=C(Nc1ccc(F)c(F)c1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798272172 932586668 /nfs/dbraw/zinc/58/66/68/932586668.db2.gz FKWUFNUPPBBYAB-UHFFFAOYSA-N -1 0 394.721 3.670 20 5 GHBDRM CCN(C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])C1CCCCC1 ZINC000798279031 932590863 /nfs/dbraw/zinc/59/08/63/932590863.db2.gz AQJMXOPQQLNQAJ-UHFFFAOYSA-N -1 0 392.843 3.934 20 5 GHBDRM Cc1cccc2c1N(C(=O)c1nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc1[O-])CC2 ZINC000798298059 932597414 /nfs/dbraw/zinc/59/74/14/932597414.db2.gz WNTQHLAVFFDIMZ-UHFFFAOYSA-N -1 0 398.806 3.651 20 5 GHBDRM CC[C@H](Sc1ccccc1)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600880441 939806923 /nfs/dbraw/zinc/80/69/23/939806923.db2.gz ZURWFCYKMYBXFW-QFBILLFUSA-N -1 0 388.445 3.582 20 5 GHBDRM O=C(Nc1ccc(OC(F)(F)F)cc1O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001154352421 1032059258 /nfs/dbraw/zinc/05/92/58/1032059258.db2.gz YJLQQVXQYFOEDY-UHFFFAOYSA-N -1 0 392.673 3.810 20 5 GHBDRM C[C@H](C(=O)[O-])C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC001588573990 959206115 /nfs/dbraw/zinc/20/61/15/959206115.db2.gz RHYSZTLACDMKOQ-VIFPVBQESA-N -1 0 396.758 3.517 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Oc2ccccc2I)c1 ZINC000211753901 959696935 /nfs/dbraw/zinc/69/69/35/959696935.db2.gz IBHDBRZKIJKCSG-UHFFFAOYSA-N -1 0 385.113 3.690 20 5 GHBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001319853726 960963493 /nfs/dbraw/zinc/96/34/93/960963493.db2.gz XRHUTJHGEUJCLA-UHFFFAOYSA-N -1 0 389.433 3.597 20 5 GHBDRM CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC001603812527 974289531 /nfs/dbraw/zinc/28/95/31/974289531.db2.gz VHZVNMIOIFGKCN-FQEVSTJZSA-N -1 0 386.404 3.534 20 5 GHBDRM C[C@H](C[C@H]1CCOC1)Nc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001592464719 978203241 /nfs/dbraw/zinc/20/32/41/978203241.db2.gz XSLZCRMMVJDEQK-ZIAGYGMSSA-N -1 0 398.415 3.751 20 5 GHBDRM O=c1[n-]cnc(O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)c1Br 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COc1cccc(C(=O)[O-])c1OC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001599643368 994389861 /nfs/dbraw/zinc/38/98/61/994389861.db2.gz FJBQQSFPZSLHBD-UHFFFAOYSA-N -1 0 385.250 3.540 20 5 GHBDRM CNc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001598678878 994893528 /nfs/dbraw/zinc/89/35/28/994893528.db2.gz OHVVTXNFNYLIBC-CQSZACIVSA-N -1 0 398.293 3.638 20 5 GHBDRM COC(=O)[C@@H](C)c1cccc(Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC001598691404 995071156 /nfs/dbraw/zinc/07/11/56/995071156.db2.gz IPNHVLXKQWCFME-VIFPVBQESA-N -1 0 378.768 3.967 20 5 GHBDRM C[C@@H](O)C[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])c1ccccc1 ZINC001593449375 995337657 /nfs/dbraw/zinc/33/76/57/995337657.db2.gz CSKZMRQFHCUOCL-YPMHNXCESA-N -1 0 378.812 3.913 20 5 GHBDRM C[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(C(=O)[O-])o1 ZINC001593572418 995667060 /nfs/dbraw/zinc/66/70/60/995667060.db2.gz BUXLRWQCQPUNQU-ZETCQYMHSA-N -1 0 384.138 3.567 20 5 GHBDRM C[C@@]1(C(=O)[O-])CCCN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])C1 ZINC001593778862 996487727 /nfs/dbraw/zinc/48/77/27/996487727.db2.gz OWGQKOFXJZBKJH-MRXNPFEDSA-N -1 0 394.225 3.597 20 5 GHBDRM COC(=O)CCc1ccc(Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC001598859123 996660489 /nfs/dbraw/zinc/66/04/89/996660489.db2.gz OZMBFYQQMMAPIH-UHFFFAOYSA-N -1 0 378.768 3.796 20 5 GHBDRM COC(=O)Nc1cccc(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001598888258 996941446 /nfs/dbraw/zinc/94/14/46/996941446.db2.gz LKPXEUKGUXAMPC-UHFFFAOYSA-N -1 0 379.756 3.737 20 5 GHBDRM COc1c(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)cccc1[N+](=O)[O-] ZINC001599328268 997702740 /nfs/dbraw/zinc/70/27/40/997702740.db2.gz DGUNOXIEDYPCQE-AWEZNQCLSA-N -1 0 378.425 3.537 20 5 GHBDRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001599546617 997933569 /nfs/dbraw/zinc/93/35/69/997933569.db2.gz YOKXJACUIIFXGO-SOFGYWHQSA-N -1 0 377.736 3.574 20 5 GHBDRM COc1cc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc2ccccc21 ZINC001599443223 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O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001209428111 1035272563 /nfs/dbraw/zinc/27/25/63/1035272563.db2.gz DCLJYAOZVJMVKQ-MRXNPFEDSA-N -1 0 395.868 3.853 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2cccc3nc4ccccc4nc23)c(OC)c1 ZINC001258959982 1044907808 /nfs/dbraw/zinc/90/78/08/1044907808.db2.gz AKVKHMQXGOMCBX-UHFFFAOYSA-N -1 0 395.440 3.601 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(-c2ccc(F)cc2)[nH]n1 ZINC001295614749 1045072333 /nfs/dbraw/zinc/07/23/33/1045072333.db2.gz ODBBVYQSLVTMJX-UHFFFAOYSA-N -1 0 376.731 3.735 20 5 GHBDRM C[C@@H](CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCc2ccccc21 ZINC001295615453 1045073030 /nfs/dbraw/zinc/07/30/30/1045073030.db2.gz ZPUGHVWIMNTSHW-NSHDSACASA-N -1 0 375.812 3.734 20 5 GHBDRM COc1cc(C(=O)Nc2ccc(Br)c([O-])c2)cc([N+](=O)[O-])c1C ZINC001261361073 1045977703 /nfs/dbraw/zinc/97/77/03/1045977703.db2.gz GYPUTHJUFUOFSQ-UHFFFAOYSA-N -1 0 381.182 3.632 20 5 GHBDRM O=C(NCc1cc(Br)ccc1Cl)c1cccc([N+](=O)[O-])c1[O-] ZINC001303714882 1047492271 /nfs/dbraw/zinc/49/22/71/1047492271.db2.gz HXJQHLVELBZDMG-UHFFFAOYSA-N -1 0 385.601 3.646 20 5 GHBDRM COc1ccccc1C1(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC001328549231 1050540769 /nfs/dbraw/zinc/54/07/69/1050540769.db2.gz PALPWUGDGDHIFY-UHFFFAOYSA-N -1 0 396.852 3.615 20 5 GHBDRM O=C([O-])c1cc(/C=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)nc2cc(F)ccc21 ZINC001317993180 1054342615 /nfs/dbraw/zinc/34/26/15/1054342615.db2.gz QQFWQFDXWRJPLC-IWQZZHSRSA-N -1 0 396.330 3.922 20 5 GHBDRM CC(C)(c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])s1)c1ccccc1 ZINC001441111906 1058706196 /nfs/dbraw/zinc/70/61/96/1058706196.db2.gz GHXCMRFRWCJZBD-UHFFFAOYSA-N -1 0 384.417 3.730 20 5 GHBDRM COc1cc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])ccc1OCC(C)C ZINC001441283814 1058742663 /nfs/dbraw/zinc/74/26/63/1058742663.db2.gz GIEBCDHMGSVKJD-ZDUSSCGKSA-N -1 0 388.420 3.835 20 5 GHBDRM Cc1cc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])ccc1Br ZINC001447268177 1059941662 /nfs/dbraw/zinc/94/16/62/1059941662.db2.gz PNRCMMVJDXHGJG-UHFFFAOYSA-N -1 0 379.210 3.943 20 5 GHBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001449978655 1060496781 /nfs/dbraw/zinc/49/67/81/1060496781.db2.gz WMODMSCHOGZBCX-SSDOTTSWSA-N -1 0 395.202 3.975 20 5 GHBDRM O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1[O-] ZINC001546067572 1061983976 /nfs/dbraw/zinc/98/39/76/1061983976.db2.gz VUOWQZDUXWOTPV-ZDUSSCGKSA-N -1 0 376.237 3.612 20 5 GHBDRM COc1ccccc1-c1nnc([N-]C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])s1 ZINC001436382094 1063418965 /nfs/dbraw/zinc/41/89/65/1063418965.db2.gz ZYOIXBGGQPCBBI-UHFFFAOYSA-N -1 0 392.343 3.652 20 5 GHBDRM CC1(C)CN(c2ccc(Cl)cc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001468485813 1067748197 /nfs/dbraw/zinc/74/81/97/1067748197.db2.gz XOBQNFAYYUIRIK-UHFFFAOYSA-N -1 0 389.839 3.695 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC001469278447 1068077852 /nfs/dbraw/zinc/07/78/52/1068077852.db2.gz VLHKXQTZBRAHRZ-HUUCEWRRSA-N -1 0 397.214 3.555 20 5 GHBDRM O=C(N[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001469376069 1068131619 /nfs/dbraw/zinc/13/16/19/1068131619.db2.gz DXKUHJCCGIAHLW-LLVKDONJSA-N -1 0 385.807 3.722 20 5 GHBDRM O=C(NC1(c2ccccc2Br)CCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001469761350 1068367966 /nfs/dbraw/zinc/36/79/66/1068367966.db2.gz LIDKOCLCXAIWKC-UHFFFAOYSA-N -1 0 391.221 3.872 20 5 GHBDRM CC(=O)c1cc(F)c([O-])c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC001471979710 1073289300 /nfs/dbraw/zinc/28/93/00/1073289300.db2.gz KKKFRLTZNFGSRR-UHFFFAOYSA-N -1 0 397.156 3.657 20 5 GHBDRM Cc1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c(Oc2ccccc2)c1 ZINC001475076625 1074726559 /nfs/dbraw/zinc/72/65/59/1074726559.db2.gz CLTNBNBBVQFXGY-UHFFFAOYSA-N -1 0 399.428 3.569 20 5 GHBDRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000738263162 599800879 /nfs/dbraw/zinc/80/08/79/599800879.db2.gz SBAIOHNPTJVJIC-UHFFFAOYSA-N -1 0 398.293 3.795 20 5 GHBDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000738202638 599849694 /nfs/dbraw/zinc/84/96/94/599849694.db2.gz KBCWUCAGJHVQHE-CQSZACIVSA-N -1 0 394.836 3.916 20 5 GHBDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000738201605 599881213 /nfs/dbraw/zinc/88/12/13/599881213.db2.gz SARWOUVGGYKKRS-OAHLLOKOSA-N -1 0 375.406 3.654 20 5 GHBDRM CCOc1cc(NC(=O)c2cccc(NC(=O)[O-])c2)c([N+](=O)[O-])cc1OCC ZINC000737191357 599898709 /nfs/dbraw/zinc/89/87/09/599898709.db2.gz IZJPNYYMZMLJAO-UHFFFAOYSA-N -1 0 389.364 3.734 20 5 GHBDRM O=C([O-])CSCc1cccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 ZINC000739870285 599953006 /nfs/dbraw/zinc/95/30/06/599953006.db2.gz BERHWFGFLUQHJM-UHFFFAOYSA-N -1 0 385.401 3.646 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000013170988 600020191 /nfs/dbraw/zinc/02/01/91/600020191.db2.gz RWQIJKBPACLRAM-AWEZNQCLSA-N -1 0 380.466 3.670 20 5 GHBDRM CC(C)(NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000736339046 600091623 /nfs/dbraw/zinc/09/16/23/600091623.db2.gz JESGWMPORDDDLF-UHFFFAOYSA-N -1 0 396.321 3.977 20 5 GHBDRM O=C([O-])c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(F)c1 ZINC000479511952 600167472 /nfs/dbraw/zinc/16/74/72/600167472.db2.gz BLVFHCIACNHERX-UHFFFAOYSA-N -1 0 390.370 3.631 20 5 GHBDRM CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736242162 600188850 /nfs/dbraw/zinc/18/88/50/600188850.db2.gz SIXQSZROESEXCQ-UHFFFAOYSA-N -1 0 385.376 3.530 20 5 GHBDRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736760894 600259676 /nfs/dbraw/zinc/25/96/76/600259676.db2.gz OCXORUMWUJREEP-PWSUYJOCSA-N -1 0 389.339 3.723 20 5 GHBDRM O=C([O-])[C@@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cccc(Cl)c1 ZINC000739357125 600329121 /nfs/dbraw/zinc/32/91/21/600329121.db2.gz WHVRUHSXVRMZSB-KRWDZBQOSA-N -1 0 388.763 3.572 20 5 GHBDRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000736850869 600380020 /nfs/dbraw/zinc/38/00/20/600380020.db2.gz YDRUOCDJBMBCSB-CXAGYDPISA-N -1 0 388.445 3.972 20 5 GHBDRM C[C@@H](CN(Cc1ccccc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000190669925 600382358 /nfs/dbraw/zinc/38/23/58/600382358.db2.gz LJSPLDHOCCMXMI-ZDUSSCGKSA-N -1 0 390.823 3.540 20 5 GHBDRM O=C([O-])c1cc(OCc2nnc(-c3ccccc3Cl)o2)ccc1[N+](=O)[O-] ZINC000740086903 600443060 /nfs/dbraw/zinc/44/30/60/600443060.db2.gz CWFDXIRSIZJAIP-UHFFFAOYSA-N -1 0 375.724 3.575 20 5 GHBDRM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736708696 600540625 /nfs/dbraw/zinc/54/06/25/600540625.db2.gz VQAKVKZLTACNHH-SECBINFHSA-N -1 0 398.293 3.718 20 5 GHBDRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000739794123 600585257 /nfs/dbraw/zinc/58/52/57/600585257.db2.gz SVPCKBLCMOTKJU-UHFFFAOYSA-N -1 0 383.187 3.629 20 5 GHBDRM Cc1cccc([C@@H](C)Nc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])c1C ZINC000738691173 600626674 /nfs/dbraw/zinc/62/66/74/600626674.db2.gz MJWOFRNFUBDWMD-ZIAGYGMSSA-N -1 0 385.420 3.588 20 5 GHBDRM O=C([O-])c1cccc(-c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c1 ZINC000833326406 600695459 /nfs/dbraw/zinc/69/54/59/600695459.db2.gz NBAQGVASEZPOAN-UHFFFAOYSA-N -1 0 380.360 3.610 20 5 GHBDRM C[C@@H]1CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000828485651 600818845 /nfs/dbraw/zinc/81/88/45/600818845.db2.gz JJIKUMDKMKBWIC-IUODEOHRSA-N -1 0 385.376 3.831 20 5 GHBDRM C[C@H](Sc1nc2ccccc2c(=O)n1CCC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000827922565 600834562 /nfs/dbraw/zinc/83/45/62/600834562.db2.gz SCSWAPJTBDSALF-LBPRGKRZSA-N -1 0 399.428 3.633 20 5 GHBDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000486283744 600881322 /nfs/dbraw/zinc/88/13/22/600881322.db2.gz NDCHCASLYYWCOG-UHFFFAOYSA-N -1 0 381.388 3.550 20 5 GHBDRM C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(C(=O)[O-])s3)cc2[N+](=O)[O-])C1 ZINC000828272277 600899800 /nfs/dbraw/zinc/89/98/00/600899800.db2.gz ZJYSKHBYSDYSAH-NSHDSACASA-N -1 0 389.433 3.843 20 5 GHBDRM COc1ccc(CCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000737990958 600942599 /nfs/dbraw/zinc/94/25/99/600942599.db2.gz QFCDEJBVCDPKGI-UHFFFAOYSA-N -1 0 380.784 3.618 20 5 GHBDRM CCC(CC)C(=O)N1CCC(Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736893798 600943451 /nfs/dbraw/zinc/94/34/51/600943451.db2.gz KQQNMQSOZIFMRK-UHFFFAOYSA-N -1 0 397.859 3.786 20 5 GHBDRM CCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1C(=O)[O-] ZINC000829602575 600973609 /nfs/dbraw/zinc/97/36/09/600973609.db2.gz QYGOYXMHOHWEBI-UHFFFAOYSA-N -1 0 382.294 3.979 20 5 GHBDRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000236604723 601020209 /nfs/dbraw/zinc/02/02/09/601020209.db2.gz PBTOIIJYBNNNOM-GOSISDBHSA-N -1 0 384.432 3.767 20 5 GHBDRM O=C([O-])[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1F ZINC000833352237 601075414 /nfs/dbraw/zinc/07/54/14/601075414.db2.gz UPEDIQYIRLPMRY-HNNXBMFYSA-N -1 0 375.333 3.931 20 5 GHBDRM O=C([O-])CC1(NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCC1 ZINC000593014577 601129363 /nfs/dbraw/zinc/12/93/63/601129363.db2.gz NEAWFHOYIJNIHJ-UHFFFAOYSA-N -1 0 385.376 3.906 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000262555811 601295622 /nfs/dbraw/zinc/29/56/22/601295622.db2.gz YFYSUPHPRCNAJZ-GDZNZVCISA-N -1 0 388.445 3.654 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000832957870 601588937 /nfs/dbraw/zinc/58/89/37/601588937.db2.gz OYVMHCFTOSOBKS-AWEZNQCLSA-N -1 0 375.356 3.688 20 5 GHBDRM CN(Cc1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-] ZINC000830836510 601723361 /nfs/dbraw/zinc/72/33/61/601723361.db2.gz XHENEEPKBROXQS-UHFFFAOYSA-N -1 0 386.408 3.761 20 5 GHBDRM COc1cc([N+](=O)[O-])c(C(=O)OCc2cc(C(=O)[O-])sc2C)cc1SC ZINC000832097508 601727773 /nfs/dbraw/zinc/72/77/73/601727773.db2.gz DNBAUHYEPMSAJC-UHFFFAOYSA-N -1 0 397.430 3.750 20 5 GHBDRM CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000828964930 601754209 /nfs/dbraw/zinc/75/42/09/601754209.db2.gz LERPNKYTSKJVJO-AWEZNQCLSA-N -1 0 394.836 3.992 20 5 GHBDRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000833132233 601907865 /nfs/dbraw/zinc/90/78/65/601907865.db2.gz YVJOFNHNDKKGBJ-AAEUAGOBSA-N -1 0 388.342 3.767 20 5 GHBDRM O=C([O-])NCc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000740673801 602228581 /nfs/dbraw/zinc/22/85/81/602228581.db2.gz SCROFJWOJPXXOJ-UHFFFAOYSA-N -1 0 398.400 3.738 20 5 GHBDRM COc1cccc(CCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])c1OC ZINC000832549940 602251475 /nfs/dbraw/zinc/25/14/75/602251475.db2.gz XWTYXGSZIBSHQW-UHFFFAOYSA-N -1 0 380.784 3.618 20 5 GHBDRM Cc1cc(NC[C@H](O)c2ccccc2C(F)(F)F)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896970 602314900 /nfs/dbraw/zinc/31/49/00/602314900.db2.gz PFLJRVFQXBEAHR-AWEZNQCLSA-N -1 0 384.310 3.766 20 5 GHBDRM CCO[C@H](C)c1nc(CN(C)c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)cs1 ZINC000580080216 602319851 /nfs/dbraw/zinc/31/98/51/602319851.db2.gz UZLUAGDPEVHXDR-LLVKDONJSA-N -1 0 379.438 3.792 20 5 GHBDRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000738816792 603002004 /nfs/dbraw/zinc/00/20/04/603002004.db2.gz MSSIPSVNQKWWRV-CYBMUJFWSA-N -1 0 375.385 3.574 20 5 GHBDRM O=C([O-])N1CCC[C@@H]1C1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000832005052 603183778 /nfs/dbraw/zinc/18/37/78/603183778.db2.gz IVMHDZVULNABGN-CYBMUJFWSA-N -1 0 385.367 3.555 20 5 GHBDRM O=C([O-])N1CCC(N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2F)CC1 ZINC000740500617 603301446 /nfs/dbraw/zinc/30/14/46/603301446.db2.gz PTFITFJXLAFOIX-UHFFFAOYSA-N -1 0 387.367 3.523 20 5 GHBDRM O=C([O-])NC1(c2noc(-c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)CCCC1 ZINC000832224119 603416578 /nfs/dbraw/zinc/41/65/78/603416578.db2.gz XKXKRLZMJMGNEV-UHFFFAOYSA-N -1 0 386.286 3.701 20 5 GHBDRM CCN(Cc1cccc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c1)C(=O)[O-] ZINC000827169988 604028432 /nfs/dbraw/zinc/02/84/32/604028432.db2.gz GOCQIMTXYFWMDR-UHFFFAOYSA-N -1 0 375.356 3.795 20 5 GHBDRM C[C@@H](CCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000827418108 604263467 /nfs/dbraw/zinc/26/34/67/604263467.db2.gz WUWKYCSXIVIFJK-VIFPVBQESA-N -1 0 387.820 3.662 20 5 GHBDRM CCc1nccn1[C@H]1CCCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830328799 604265434 /nfs/dbraw/zinc/26/54/34/604265434.db2.gz VMJVMSBIPIUJOL-NSHDSACASA-N -1 0 378.816 3.547 20 5 GHBDRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000826102617 604390695 /nfs/dbraw/zinc/39/06/95/604390695.db2.gz DAHVEKUHXWSNMO-OAHLLOKOSA-N -1 0 376.796 3.830 20 5 GHBDRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000825397496 604452924 /nfs/dbraw/zinc/45/29/24/604452924.db2.gz MMQWLJWJXJBLJL-SNVBAGLBSA-N -1 0 377.784 3.507 20 5 GHBDRM Cc1nnc(-c2cccc(Nc3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])c2)n1C ZINC000833018394 604799514 /nfs/dbraw/zinc/79/95/14/604799514.db2.gz RUORTEIXZJPWKY-VQHVLOKHSA-N -1 0 379.376 3.540 20 5 GHBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000833497359 605135977 /nfs/dbraw/zinc/13/59/77/605135977.db2.gz AGCVLRBIXAONCY-UHFFFAOYSA-N -1 0 375.356 3.875 20 5 GHBDRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000833382317 605354628 /nfs/dbraw/zinc/35/46/28/605354628.db2.gz MAEXLFHQMQBRKO-LUJNMSEFSA-N -1 0 388.807 3.984 20 5 GHBDRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000833811210 605596042 /nfs/dbraw/zinc/59/60/42/605596042.db2.gz AUPNDDJFJLFXBS-TZMCWYRMSA-N -1 0 390.465 3.586 20 5 GHBDRM O=C([O-])c1ccc(F)c(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000431783622 837491822 /nfs/dbraw/zinc/49/18/22/837491822.db2.gz UHRYXMPVZROJIC-UHFFFAOYSA-N -1 0 394.333 3.910 20 5 GHBDRM Cc1cnn(-c2ccccc2)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000176969861 837687781 /nfs/dbraw/zinc/68/77/81/837687781.db2.gz LFUQPRIYEXGBJF-UHFFFAOYSA-N -1 0 386.433 3.507 20 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O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000164697640 842461228 /nfs/dbraw/zinc/46/12/28/842461228.db2.gz HUNUSWNWJSZUHJ-GOSISDBHSA-N -1 0 390.823 3.540 20 5 GHBDRM O=C(NCc1ccc(-n2cnc3ccccc32)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000512333318 843415141 /nfs/dbraw/zinc/41/51/41/843415141.db2.gz GICJZJAXSOVFMA-UHFFFAOYSA-N -1 0 388.383 3.569 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2nc3c(ccc(F)c3F)s2)cc1[N+](=O)[O-] ZINC000500872376 844797021 /nfs/dbraw/zinc/79/70/21/844797021.db2.gz ZOLAXGYKTHFMCG-UHFFFAOYSA-N -1 0 385.373 3.592 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2N2CCCCC2)ccc1[N+](=O)[O-] ZINC000261431967 844972655 /nfs/dbraw/zinc/97/26/55/844972655.db2.gz KEZUPMMHCCDSTC-UHFFFAOYSA-N -1 0 393.440 3.833 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000176635695 845331660 /nfs/dbraw/zinc/33/16/60/845331660.db2.gz SRSRPDHPXICTFV-UHFFFAOYSA-N -1 0 380.731 3.775 20 5 GHBDRM C[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 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ZINC000436712300 852234465 /nfs/dbraw/zinc/23/44/65/852234465.db2.gz NIQLBDQZTMKHRO-UHFFFAOYSA-N -1 0 382.376 3.650 20 5 GHBDRM CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436830833 852380041 /nfs/dbraw/zinc/38/00/41/852380041.db2.gz ROIZLNVDJRBODC-UHFFFAOYSA-N -1 0 384.310 3.514 20 5 GHBDRM Cc1cc(Br)c2c(c1)CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)CC2 ZINC000436826108 852394445 /nfs/dbraw/zinc/39/44/45/852394445.db2.gz NWYBEVKIMJVORN-UHFFFAOYSA-N -1 0 391.221 3.570 20 5 GHBDRM CCCc1c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cnn1-c1cccc(F)c1 ZINC000436839509 852405440 /nfs/dbraw/zinc/40/54/40/852405440.db2.gz PRAXWNDMWXFJAU-UHFFFAOYSA-N -1 0 384.367 3.830 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000426015352 852416354 /nfs/dbraw/zinc/41/63/54/852416354.db2.gz UGQQLYBBPWDWNX-UHFFFAOYSA-N -1 0 376.434 3.933 20 5 GHBDRM CCCc1c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cnn1-c1ccc(F)cc1 ZINC000436874163 852438143 /nfs/dbraw/zinc/43/81/43/852438143.db2.gz ZQNRZJMRFCDOBL-UHFFFAOYSA-N -1 0 384.367 3.830 20 5 GHBDRM CC(C)(NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1Br ZINC000436974479 852561101 /nfs/dbraw/zinc/56/11/01/852561101.db2.gz YVVHNISFQTZTNN-UHFFFAOYSA-N -1 0 379.210 3.728 20 5 GHBDRM CC(C)CNC(=O)c1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1Cl ZINC000507170104 852638720 /nfs/dbraw/zinc/63/87/20/852638720.db2.gz YVQUWEHHZALPOX-UHFFFAOYSA-N -1 0 391.811 3.592 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCCC(F)(F)C1 ZINC000489980602 852705004 /nfs/dbraw/zinc/70/50/04/852705004.db2.gz IXKUTAYIJGWNAY-SNVBAGLBSA-N -1 0 382.816 3.742 20 5 GHBDRM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000518189211 853038963 /nfs/dbraw/zinc/03/89/63/853038963.db2.gz WDXLBYVNNVPJPN-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)ccc2[nH]1 ZINC000467411988 853492773 /nfs/dbraw/zinc/49/27/73/853492773.db2.gz QOGHUGHLFBMPCL-UHFFFAOYSA-N -1 0 380.451 3.631 20 5 GHBDRM O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506120292 853493496 /nfs/dbraw/zinc/49/34/96/853493496.db2.gz XXKQJFBHQARPDS-UHFFFAOYSA-N -1 0 397.431 3.749 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(Cl)cccc2n1 ZINC000586754992 853523401 /nfs/dbraw/zinc/52/34/01/853523401.db2.gz PATCMSSNMKEGSM-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM COc1ccc(CCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1Br ZINC000166167040 855471658 /nfs/dbraw/zinc/47/16/58/855471658.db2.gz RVVHTTYYKNPHAH-UHFFFAOYSA-N -1 0 395.209 3.643 20 5 GHBDRM COc1cc2cc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])[nH]c2cc1OC ZINC000542751673 855619682 /nfs/dbraw/zinc/61/96/82/855619682.db2.gz POZZAOUNLXTDLJ-UHFFFAOYSA-N -1 0 391.767 3.705 20 5 GHBDRM C[C@H](CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)c1cccc(F)c1 ZINC000542752452 855623345 /nfs/dbraw/zinc/62/33/45/855623345.db2.gz XLQAQZFJCANWFP-SECBINFHSA-N -1 0 380.759 3.941 20 5 GHBDRM CCCN1Cc2cccc([N-]S(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)c2C1 ZINC000542864576 856206574 /nfs/dbraw/zinc/20/65/74/856206574.db2.gz CTHOVGMBAYVECV-UHFFFAOYSA-N -1 0 389.477 3.738 20 5 GHBDRM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172182682 856364671 /nfs/dbraw/zinc/36/46/71/856364671.db2.gz MDVYJCXCSVPUDD-UHFFFAOYSA-N -1 0 391.449 3.607 20 5 GHBDRM O=C(Cn1c2ccccc2c(=O)c2ccccc21)[N-]OCc1ccc(F)cc1 ZINC000186468321 856376375 /nfs/dbraw/zinc/37/63/75/856376375.db2.gz AKFTZVFPGQAXRP-UHFFFAOYSA-N -1 0 376.387 3.542 20 5 GHBDRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485397766 856442851 /nfs/dbraw/zinc/44/28/51/856442851.db2.gz CAFWFZPEIXWFQH-UHFFFAOYSA-N -1 0 390.339 3.753 20 5 GHBDRM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000032098094 862805740 /nfs/dbraw/zinc/80/57/40/862805740.db2.gz IPGIACCSVWMQOZ-UHFFFAOYSA-N -1 0 397.412 3.648 20 5 GHBDRM C[C@@H](CC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000427715146 856627621 /nfs/dbraw/zinc/62/76/21/856627621.db2.gz 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Cc1occc1-c1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)no1 ZINC000486579003 857866401 /nfs/dbraw/zinc/86/64/01/857866401.db2.gz WZPJNBCLTONDAN-UHFFFAOYSA-N -1 0 397.796 3.914 20 5 GHBDRM COc1ccc2[nH]cc(C3=CCN(C(=O)c4cccc([N+](=O)[O-])c4[O-])CC3)c2c1 ZINC000121048029 858155893 /nfs/dbraw/zinc/15/58/93/858155893.db2.gz WKDHKTRZXPMMCL-UHFFFAOYSA-N -1 0 393.399 3.720 20 5 GHBDRM CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000521598081 858161800 /nfs/dbraw/zinc/16/18/00/858161800.db2.gz BMWLVBCKVVFHBF-UHFFFAOYSA-N -1 0 398.412 3.722 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000543161754 858687729 /nfs/dbraw/zinc/68/77/29/858687729.db2.gz UCNGWEBVBPIPQY-SNVBAGLBSA-N -1 0 384.845 3.525 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000160229867 858724127 /nfs/dbraw/zinc/72/41/27/858724127.db2.gz WKQOBFOPGGUYGW-INIZCTEOSA-N -1 0 397.214 3.821 20 5 GHBDRM O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000134357787 858974444 /nfs/dbraw/zinc/97/44/44/858974444.db2.gz NFAZEASGSYOENO-GOSISDBHSA-N -1 0 383.791 3.868 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(OC)c1C(C)C ZINC000484196041 859862735 /nfs/dbraw/zinc/86/27/35/859862735.db2.gz BRRFYJNGLCBYQM-UHFFFAOYSA-N -1 0 380.422 3.536 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)cc1[N+](=O)[O-] ZINC000474421046 860031498 /nfs/dbraw/zinc/03/14/98/860031498.db2.gz JQQMXTUBZZSSEH-UHFFFAOYSA-N -1 0 384.845 3.738 20 5 GHBDRM COc1cc(CSc2n[n-]c(=NCc3ccccc3)s2)ccc1[N+](=O)[O-] ZINC000484540076 860099643 /nfs/dbraw/zinc/09/96/43/860099643.db2.gz DINJPQBOEOQYON-UHFFFAOYSA-N -1 0 388.474 3.781 20 5 GHBDRM O=C([O-])[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc21 ZINC000192941375 860361569 /nfs/dbraw/zinc/36/15/69/860361569.db2.gz FGBRPLYLEIXDOV-CQSZACIVSA-N -1 0 395.396 3.547 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCO[C@H](c3ccc(F)cc3Cl)C2)c1 ZINC000593745129 861137893 /nfs/dbraw/zinc/13/78/93/861137893.db2.gz ZPZAISAAPPPBSC-KRWDZBQOSA-N -1 0 394.786 3.659 20 5 GHBDRM O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000022619631 861167324 /nfs/dbraw/zinc/16/73/24/861167324.db2.gz JKHIKPYIULCZKI-QGZVFWFLSA-N -1 0 389.839 3.521 20 5 GHBDRM CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000733676479 863105917 /nfs/dbraw/zinc/10/59/17/863105917.db2.gz RUHNQFGGLIRFFE-INIZCTEOSA-N -1 0 382.482 3.537 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)c1[N+](=O)[O-] ZINC000480193817 864217730 /nfs/dbraw/zinc/21/77/30/864217730.db2.gz FNFWOLXJEKRHRX-UHFFFAOYSA-N -1 0 391.449 3.607 20 5 GHBDRM CCc1c([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cnn1C(CC)CC ZINC000480248375 864353217 /nfs/dbraw/zinc/35/32/17/864353217.db2.gz OHMWETYFXYEGGE-UHFFFAOYSA-N -1 0 380.470 3.824 20 5 GHBDRM CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000734736467 864426060 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394.302 3.562 20 5 GHBDRM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c1 ZINC000742028711 867017817 /nfs/dbraw/zinc/01/78/17/867017817.db2.gz BVVXNGWFYKNIFC-UHFFFAOYSA-N -1 0 395.412 3.500 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000456706979 867045597 /nfs/dbraw/zinc/04/55/97/867045597.db2.gz BAPPPLCWDVLPMU-UHFFFAOYSA-N -1 0 376.359 3.674 20 5 GHBDRM CC(C)Cn1ncc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1C(C)C ZINC000766325842 869331484 /nfs/dbraw/zinc/33/14/84/869331484.db2.gz DVVCOZZEDSIPQC-UHFFFAOYSA-N -1 0 384.433 3.511 20 5 GHBDRM CCc1ccc2nc([N-]S(=O)(=O)CCc3ccccc3[N+](=O)[O-])sc2c1 ZINC000539596405 869402681 /nfs/dbraw/zinc/40/26/81/869402681.db2.gz JIZCGLZMLSTIKA-UHFFFAOYSA-N -1 0 391.474 3.751 20 5 GHBDRM O=C(NCc1cccc([N+](=O)[O-])c1)c1cc(Br)cc(Cl)c1[O-] ZINC000524794226 869583003 /nfs/dbraw/zinc/58/30/03/869583003.db2.gz BBNFLIWBHMBLLW-UHFFFAOYSA-N -1 0 385.601 3.646 20 5 GHBDRM CSc1ccc(F)cc1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000745941756 869883591 /nfs/dbraw/zinc/88/35/91/869883591.db2.gz XGRVXEBQQIEKOX-UHFFFAOYSA-N -1 0 390.845 3.588 20 5 GHBDRM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000539975384 870110323 /nfs/dbraw/zinc/11/03/23/870110323.db2.gz ZSIHOFJOVINHCT-UHFFFAOYSA-N -1 0 375.356 3.676 20 5 GHBDRM Cc1cccc([C@H]([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C(F)(F)F)c1 ZINC000546783366 870592009 /nfs/dbraw/zinc/59/20/09/870592009.db2.gz WBHFTFTYAWRNHC-HNNXBMFYSA-N -1 0 388.367 3.626 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)ccc1OC(C)C ZINC000766385237 870673093 /nfs/dbraw/zinc/67/30/93/870673093.db2.gz HDOOUGADLIQWEJ-UHFFFAOYSA-N -1 0 398.412 3.639 20 5 GHBDRM Cc1ccccc1-n1ccnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000538871026 870797016 /nfs/dbraw/zinc/79/70/16/870797016.db2.gz KLAKNYQUFGEZOU-UHFFFAOYSA-N -1 0 384.417 3.525 20 5 GHBDRM O=C([O-])c1cccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000238140450 870890497 /nfs/dbraw/zinc/89/04/97/870890497.db2.gz YDGZVEIHHGLIRB-UHFFFAOYSA-N -1 0 397.309 3.753 20 5 GHBDRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000595248225 870918487 /nfs/dbraw/zinc/91/84/87/870918487.db2.gz SLRWFQPVCQMDDD-GHTZIAJQSA-N -1 0 397.431 3.580 20 5 GHBDRM Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000539101205 871318693 /nfs/dbraw/zinc/31/86/93/871318693.db2.gz RBLYJOVUXIOKEW-GOSISDBHSA-N -1 0 397.431 3.551 20 5 GHBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(C)C ZINC000447346899 871450949 /nfs/dbraw/zinc/45/09/49/871450949.db2.gz ZTWVLUMZWDAMHE-UHFFFAOYSA-N -1 0 378.406 3.526 20 5 GHBDRM O=C([O-])c1cc(C(=O)NCC(c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000238167555 872299816 /nfs/dbraw/zinc/29/98/16/872299816.db2.gz NSIOUMGSJKNWPL-UHFFFAOYSA-N -1 0 390.395 3.855 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(-c2cccc(F)c2)on1 ZINC000619200230 872426908 /nfs/dbraw/zinc/42/69/08/872426908.db2.gz ZNQUEBROJPYWPC-UHFFFAOYSA-N -1 0 397.771 3.843 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1Cc1ccccc1 ZINC000619466293 872661515 /nfs/dbraw/zinc/66/15/15/872661515.db2.gz JMBRNBINOCPJQX-UHFFFAOYSA-N -1 0 398.440 3.995 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-c2nccs2)cc1 ZINC000619466528 872663083 /nfs/dbraw/zinc/66/30/83/872663083.db2.gz VPGOZAWPRAAECL-UHFFFAOYSA-N -1 0 391.430 3.528 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000768618593 873411807 /nfs/dbraw/zinc/41/18/07/873411807.db2.gz BPUHKWPBCQNCJK-CYBMUJFWSA-N -1 0 380.322 3.949 20 5 GHBDRM O=C([O-])c1cc(C(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)cc([N+](=O)[O-])c1 ZINC000237993730 882853343 /nfs/dbraw/zinc/85/33/43/882853343.db2.gz ADHCUQJWWXDVJR-UHFFFAOYSA-N -1 0 392.327 3.682 20 5 GHBDRM O=C([O-])c1cc(C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)cc([N+](=O)[O-])c1 ZINC000237993502 882853473 /nfs/dbraw/zinc/85/34/73/882853473.db2.gz VLAHJHZIZOTIHZ-UHFFFAOYSA-N -1 0 380.360 3.689 20 5 GHBDRM Cc1ccc(OC(F)F)c(CN=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000465059176 875007622 /nfs/dbraw/zinc/00/76/22/875007622.db2.gz SSVCKDWHLCTELH-UHFFFAOYSA-N -1 0 376.319 3.589 20 5 GHBDRM CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000776068740 875292210 /nfs/dbraw/zinc/29/22/10/875292210.db2.gz GROUTFWUMNRIPQ-LLVKDONJSA-N -1 0 376.862 3.660 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1[N+](=O)[O-] ZINC000195533097 882930114 /nfs/dbraw/zinc/93/01/14/882930114.db2.gz ULVICANSBMCXBD-UHFFFAOYSA-N -1 0 377.205 3.716 20 5 GHBDRM O=C([O-])c1cc2cc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)ccc2s1 ZINC000238005868 883104517 /nfs/dbraw/zinc/10/45/17/883104517.db2.gz CCMYQADLVVECJJ-UHFFFAOYSA-N -1 0 382.357 3.636 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)c1C ZINC000451054406 877286778 /nfs/dbraw/zinc/28/67/78/877286778.db2.gz KYFPYPNNAKSZIC-HNNXBMFYSA-N -1 0 376.434 3.516 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)cc1C ZINC000610124393 877438453 /nfs/dbraw/zinc/43/84/53/877438453.db2.gz ZANDEAGZYVUTPU-UHFFFAOYSA-N -1 0 394.424 3.940 20 5 GHBDRM Cc1ccc(-c2ccc(C(=O)N3CCC[C@H](C(=O)[O-])C3)c(C)c2)cc1[N+](=O)[O-] ZINC000565844260 877476800 /nfs/dbraw/zinc/47/68/00/877476800.db2.gz WVVGBIKDTNATIY-KRWDZBQOSA-N -1 0 382.416 3.815 20 5 GHBDRM CC(=C\c1cccc([N+](=O)[O-])c1)/C=C\c1nc2ccccc2c(=O)n1CC(=O)[O-] ZINC000615776563 878110395 /nfs/dbraw/zinc/11/03/95/878110395.db2.gz CHERKZBMGKCMQP-TVFNDYRWSA-N -1 0 391.383 3.506 20 5 GHBDRM COc1cc(/C=C2/C(=O)Nc3cc(Br)ccc32)cc([N+](=O)[O-])c1[O-] ZINC000180573407 879060712 /nfs/dbraw/zinc/06/07/12/879060712.db2.gz MDLDEAVHPHWDBQ-NYYWCZLTSA-N -1 0 391.177 3.564 20 5 GHBDRM CCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000776679654 879065559 /nfs/dbraw/zinc/06/55/59/879065559.db2.gz WRZYZIXPQMZCMD-OAHLLOKOSA-N -1 0 376.796 3.756 20 5 GHBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000538367285 879363349 /nfs/dbraw/zinc/36/33/49/879363349.db2.gz CMYGZKRSKHGOIN-OAHLLOKOSA-N -1 0 396.321 3.533 20 5 GHBDRM C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000237580471 880475613 /nfs/dbraw/zinc/47/56/13/880475613.db2.gz CBXKSDQZFUDQHR-VIFPVBQESA-N -1 0 382.294 3.803 20 5 GHBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000263136235 884136976 /nfs/dbraw/zinc/13/69/76/884136976.db2.gz GGEFRTNOGASMNG-UHFFFAOYSA-N -1 0 392.358 3.607 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nsc(-c3ccccc3)n2)c1C ZINC000556304041 884385704 /nfs/dbraw/zinc/38/57/04/884385704.db2.gz DXSQFUUOCKPOBR-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1F ZINC000914729721 884635952 /nfs/dbraw/zinc/63/59/52/884635952.db2.gz QPCUFNZWIGPTEE-UHFFFAOYSA-N -1 0 387.367 3.675 20 5 GHBDRM O=C([O-])/C=C\c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 ZINC000914730358 884637739 /nfs/dbraw/zinc/63/77/39/884637739.db2.gz FKQRDFJDWIPKBF-WDZFZDKYSA-N -1 0 395.415 3.935 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(OC[C@H]2CCCO2)cc1 ZINC000537543561 885130507 /nfs/dbraw/zinc/13/05/07/885130507.db2.gz VSTFSCPCZYSLAR-CQSZACIVSA-N -1 0 392.795 3.764 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(OC[C@@H]2CCCO2)c1 ZINC000537545581 885198119 /nfs/dbraw/zinc/19/81/19/885198119.db2.gz AZXHKLVQTQYHRE-AWEZNQCLSA-N -1 0 392.795 3.764 20 5 GHBDRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000032588539 887426788 /nfs/dbraw/zinc/42/67/88/887426788.db2.gz SPMJJCDHMYLOKO-UHFFFAOYSA-N -1 0 380.422 3.501 20 5 GHBDRM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000794579117 887465166 /nfs/dbraw/zinc/46/51/66/887465166.db2.gz PUERJCWJCKDXQS-UHFFFAOYSA-N -1 0 386.788 3.781 20 5 GHBDRM CC(C)(CC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000864176015 887600511 /nfs/dbraw/zinc/60/05/11/887600511.db2.gz OTGAWNGHWADZBW-HXUWFJFHSA-N -1 0 388.395 3.518 20 5 GHBDRM O=C([O-])c1coc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 ZINC000864191154 887614090 /nfs/dbraw/zinc/61/40/90/887614090.db2.gz AGHCKJJNXGMTLZ-UHFFFAOYSA-N -1 0 390.417 3.851 20 5 GHBDRM Cc1cc(Sc2ncccn2)ccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000475917535 888428068 /nfs/dbraw/zinc/42/80/68/888428068.db2.gz GNYHMRHPJVDNPC-UHFFFAOYSA-N -1 0 382.401 3.802 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])nn1C1CCCCC1 ZINC000811719494 889916758 /nfs/dbraw/zinc/91/67/58/889916758.db2.gz YTGYABVMTZQYKL-UHFFFAOYSA-N -1 0 382.417 3.545 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000811723416 889922838 /nfs/dbraw/zinc/92/28/38/889922838.db2.gz MKMSTDMZWQEMQS-UHFFFAOYSA-N -1 0 376.221 3.660 20 5 GHBDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000916802635 890220598 /nfs/dbraw/zinc/22/05/98/890220598.db2.gz SWROUNLFCLHPLE-UHFFFAOYSA-N -1 0 396.852 3.601 20 5 GHBDRM C[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1OCCc2sccc21 ZINC000497735325 892290009 /nfs/dbraw/zinc/29/00/09/892290009.db2.gz XALFGWBBFTVIHB-GLEZIHRCSA-N -1 0 382.825 3.904 20 5 GHBDRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1OC ZINC000263095202 892430728 /nfs/dbraw/zinc/43/07/28/892430728.db2.gz IGSYMYXKXBSVKG-UHFFFAOYSA-N -1 0 388.376 3.686 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000917747680 892500287 /nfs/dbraw/zinc/50/02/87/892500287.db2.gz ZAOVNZFSONBAIR-UHFFFAOYSA-N -1 0 394.302 3.562 20 5 GHBDRM CC1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCC(F)(F)CC1 ZINC000815031998 893384784 /nfs/dbraw/zinc/38/47/84/893384784.db2.gz NETYDJKRLCTERJ-UHFFFAOYSA-N -1 0 386.779 3.634 20 5 GHBDRM CCOc1cc(CN(C)C(=O)c2cccc([O-])c2[N+](=O)[O-])ccc1OC(F)F ZINC000537025597 894232346 /nfs/dbraw/zinc/23/23/46/894232346.db2.gz BXAYKMGGTDAUEX-UHFFFAOYSA-N -1 0 396.346 3.573 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nc(F)ccc1Br ZINC000816960946 895217149 /nfs/dbraw/zinc/21/71/49/895217149.db2.gz REWRKNYARSAAED-UHFFFAOYSA-N -1 0 390.552 3.503 20 5 GHBDRM O=C([O-])c1ccnc(N2CCC[C@H](c3nc4ccccc4s3)C2)c1[N+](=O)[O-] ZINC000566293787 896221177 /nfs/dbraw/zinc/22/11/77/896221177.db2.gz FBMCLFQIDJTFKE-NSHDSACASA-N -1 0 384.417 3.682 20 5 GHBDRM O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001136257248 896929871 /nfs/dbraw/zinc/92/98/71/896929871.db2.gz ZWRUPXSDDWCVMR-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1cc([O-])ccc1[N+](=O)[O-] ZINC000567386214 897108362 /nfs/dbraw/zinc/10/83/62/897108362.db2.gz GVRIKAMJKVTQOM-UHFFFAOYSA-N -1 0 376.237 3.527 20 5 GHBDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc2cccnc2c2ncccc12 ZINC001185909317 914168641 /nfs/dbraw/zinc/16/86/41/914168641.db2.gz QQNQEMKILNJWNY-UHFFFAOYSA-N -1 0 393.424 3.590 20 5 GHBDRM O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000568513944 897900380 /nfs/dbraw/zinc/90/03/80/897900380.db2.gz RWEKGRVOPUFCBG-XJKSGUPXSA-N -1 0 376.796 3.604 20 5 GHBDRM Cc1cc(N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568637272 897998966 /nfs/dbraw/zinc/99/89/66/897998966.db2.gz LKJNCWHUZUYPSD-QYZOEREBSA-N -1 0 382.416 3.610 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1NC(=O)C(C)(C)C ZINC000110591964 898729071 /nfs/dbraw/zinc/72/90/71/898729071.db2.gz MKODACIYKKCMIT-UHFFFAOYSA-N -1 0 391.449 3.689 20 5 GHBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC[C@@H]1C(=O)[O-] ZINC000823341224 898973870 /nfs/dbraw/zinc/97/38/70/898973870.db2.gz UPZRAPSXHYHGMR-WFASDCNBSA-N -1 0 392.477 3.812 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)c(Cl)c1 ZINC000135247051 900209283 /nfs/dbraw/zinc/20/92/83/900209283.db2.gz OOYYPXITDBJJFZ-UHFFFAOYSA-N -1 0 395.796 3.759 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)ccc1Cl ZINC000135246698 900209333 /nfs/dbraw/zinc/20/93/33/900209333.db2.gz HIDAJUKCDPJKMV-UHFFFAOYSA-N -1 0 395.796 3.759 20 5 GHBDRM Cc1cc(NCc2ccnc(N3CCCCCC3)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000844209701 900603435 /nfs/dbraw/zinc/60/34/35/900603435.db2.gz ZUMWCVOFHWQOQI-UHFFFAOYSA-N -1 0 384.436 3.989 20 5 GHBDRM O=C([O-])Cc1ccc(N2CCC(OCc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000844213415 900608412 /nfs/dbraw/zinc/60/84/12/900608412.db2.gz XQPIVXHJSJTQID-UHFFFAOYSA-N -1 0 388.395 3.547 20 5 GHBDRM O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000070904170 901157260 /nfs/dbraw/zinc/15/72/60/901157260.db2.gz JIGDJROXSUQRBM-UHFFFAOYSA-N -1 0 393.403 3.538 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(F)cc1Br ZINC000047312920 901796447 /nfs/dbraw/zinc/79/64/47/901796447.db2.gz ZEXASMHRJDEKHL-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc([N+](=O)[O-])c1 ZINC000600874597 903033824 /nfs/dbraw/zinc/03/38/24/903033824.db2.gz LMYLLSBAAVNIML-GFCCVEGCSA-N -1 0 390.342 3.591 20 5 GHBDRM CC(=C([O-])Nc1nc(-c2ccccc2Cl)ns1)c1cccc([N+](=O)[O-])c1 ZINC000577690189 903056437 /nfs/dbraw/zinc/05/64/37/903056437.db2.gz JFIMZBQNOSFKQG-JTQLQIEISA-N -1 0 388.836 3.931 20 5 GHBDRM CC[C@@H](c1n[n-]c(=NC(=O)NCc2cccc([N+](=O)[O-])c2)s1)c1ccccc1 ZINC000577782405 903182091 /nfs/dbraw/zinc/18/20/91/903182091.db2.gz YYFXMZIBIUOMRW-MRXNPFEDSA-N -1 0 397.460 3.732 20 5 GHBDRM O=C([O-])c1ccc(Nc2ccnc(Cl)c2OC(F)(F)F)cc1[N+](=O)[O-] ZINC001174503135 907078950 /nfs/dbraw/zinc/07/89/50/907078950.db2.gz DYQMXKBUYURKDS-UHFFFAOYSA-N -1 0 377.662 3.984 20 5 GHBDRM COC(=O)c1cccc(Br)c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504415 907080316 /nfs/dbraw/zinc/08/03/16/907080316.db2.gz DKBURCHSVHDTOD-UHFFFAOYSA-N -1 0 395.165 3.586 20 5 GHBDRM CCOC(=O)c1coc(-c2cccc(Nc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)c2)n1 ZINC001174505362 907081163 /nfs/dbraw/zinc/08/11/63/907081163.db2.gz CTQNBAMUXYDEHR-UHFFFAOYSA-N -1 0 397.343 3.868 20 5 GHBDRM CCCN(C(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000779675652 908135731 /nfs/dbraw/zinc/13/57/31/908135731.db2.gz WZQUIDCRTFKSST-UHFFFAOYSA-N -1 0 385.420 3.813 20 5 GHBDRM COC(=O)c1cc(Br)cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176676425 908206042 /nfs/dbraw/zinc/20/60/42/908206042.db2.gz DBBQPNSGPATHGG-UHFFFAOYSA-N -1 0 395.165 3.586 20 5 GHBDRM O=C(N[C@H]1C[C@H](c2ccc(F)cc2F)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001179003555 909354109 /nfs/dbraw/zinc/35/41/09/909354109.db2.gz NEFPWPNWEGWUCQ-JLIMDTESSA-N -1 0 382.750 3.908 20 5 GHBDRM O=C([N-]c1nnc(COc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])s1 ZINC001276026985 921507796 /nfs/dbraw/zinc/50/77/96/921507796.db2.gz FHAIBIGCGJZXLL-UHFFFAOYSA-N -1 0 396.837 3.993 20 5 GHBDRM COc1cc(C)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1C ZINC000795362056 910049735 /nfs/dbraw/zinc/04/97/35/910049735.db2.gz YHSKCWVIQLADPT-UHFFFAOYSA-N -1 0 388.804 3.814 20 5 GHBDRM CC(=O)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)ccc1F ZINC000795365783 910067839 /nfs/dbraw/zinc/06/78/39/910067839.db2.gz CYRBFUKXJLRUOA-UHFFFAOYSA-N -1 0 386.788 3.699 20 5 GHBDRM Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cnc(Cl)c1Br ZINC000774031147 911269115 /nfs/dbraw/zinc/26/91/15/911269115.db2.gz LLKCACWWZHCTOJ-UHFFFAOYSA-N -1 0 386.589 3.672 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC12CCC(C(F)(F)F)(CC1)CC2 ZINC000795593170 911384831 /nfs/dbraw/zinc/38/48/31/911384831.db2.gz GWYSZWNXYKPZOL-UHFFFAOYSA-N -1 0 396.362 3.668 20 5 GHBDRM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)o1 ZINC001187397051 915218564 /nfs/dbraw/zinc/21/85/64/915218564.db2.gz MWFUUIBPWSCLMG-SECBINFHSA-N -1 0 390.820 3.588 20 5 GHBDRM COc1ccccc1[C@@H](CC(C)C)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC001187882303 915603666 /nfs/dbraw/zinc/60/36/66/915603666.db2.gz AFOATWKDAXJWFJ-OAHLLOKOSA-N -1 0 396.440 3.808 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001190349009 917277344 /nfs/dbraw/zinc/27/73/44/917277344.db2.gz ZZDMSNAZTKNMJA-HOTGVXAUSA-N -1 0 392.452 3.986 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000752197648 928678025 /nfs/dbraw/zinc/67/80/25/928678025.db2.gz KLJYNRXCVQVUIT-UHFFFAOYSA-N -1 0 396.494 3.857 20 5 GHBDRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000544092853 928794946 /nfs/dbraw/zinc/79/49/46/928794946.db2.gz BDIXTUBOPZPNPU-UHFFFAOYSA-N -1 0 378.454 3.714 20 5 GHBDRM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000753081346 929196131 /nfs/dbraw/zinc/19/61/31/929196131.db2.gz HUCTTXYQBVSDGH-UHFFFAOYSA-N -1 0 380.813 3.542 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2N2CCCC2)c1 ZINC000544625664 929359372 /nfs/dbraw/zinc/35/93/72/929359372.db2.gz GBNZCWYMFMTCOF-UHFFFAOYSA-N -1 0 375.450 3.613 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000469155707 929638352 /nfs/dbraw/zinc/63/83/52/929638352.db2.gz YFQNDUDGRCYWJS-UHFFFAOYSA-N -1 0 396.230 3.570 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000783850908 931690654 /nfs/dbraw/zinc/69/06/54/931690654.db2.gz XNLIOSDRHYSQRP-JTQLQIEISA-N -1 0 384.845 3.525 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000558118362 931846815 /nfs/dbraw/zinc/84/68/15/931846815.db2.gz FQVFOULTLDYYGK-CQSZACIVSA-N -1 0 378.837 3.961 20 5 GHBDRM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000797817206 932415133 /nfs/dbraw/zinc/41/51/33/932415133.db2.gz RBHBKZJKHWBTRR-UHFFFAOYSA-N -1 0 399.812 3.536 20 5 GHBDRM CC[C@@H]1CCCCN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798156407 932547900 /nfs/dbraw/zinc/54/79/00/932547900.db2.gz IBQPNTSYJNNIMA-GFCCVEGCSA-N -1 0 378.816 3.544 20 5 GHBDRM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1Cl ZINC000798246300 932575286 /nfs/dbraw/zinc/57/52/86/932575286.db2.gz AEBFSWRZXCHBLP-UHFFFAOYSA-N -1 0 383.159 3.981 20 5 GHBDRM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc1Cl ZINC000798248079 932575989 /nfs/dbraw/zinc/57/59/89/932575989.db2.gz ODWRWGJNKJPYJV-UHFFFAOYSA-N -1 0 381.168 3.547 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccc(Br)c2Cl)cc1 ZINC000559843501 932901560 /nfs/dbraw/zinc/90/15/60/932901560.db2.gz CFFGNYJTPYRZBW-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])s1 ZINC000559977274 932992076 /nfs/dbraw/zinc/99/20/76/932992076.db2.gz ATLCEASQOPHXRO-UHFFFAOYSA-N -1 0 383.495 3.976 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000777770816 933328959 /nfs/dbraw/zinc/32/89/59/933328959.db2.gz HFHYEFPEYSEQBH-QMMMGPOBSA-N -1 0 397.796 3.981 20 5 GHBDRM Cc1cc(N2CCO[C@@H](c3ccc(Cl)s3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001118221526 934112508 /nfs/dbraw/zinc/11/25/08/934112508.db2.gz FHNNNELGPYQBSY-CYBMUJFWSA-N -1 0 382.825 3.894 20 5 GHBDRM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000777936902 934233605 /nfs/dbraw/zinc/23/36/05/934233605.db2.gz FDNRBQWONDYLFG-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM O=C([O-])[C@H]1c2ccccc2CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001606056285 973167648 /nfs/dbraw/zinc/16/76/48/973167648.db2.gz SGVWPKSHDSCDSE-MRXNPFEDSA-N -1 0 391.221 3.541 20 5 GHBDRM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001591712044 975603452 /nfs/dbraw/zinc/60/34/52/975603452.db2.gz PGUYBEQBUISGOP-INIZCTEOSA-N -1 0 396.827 3.818 20 5 GHBDRM CC(C)c1ccc(CCC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC001591952983 976515625 /nfs/dbraw/zinc/51/56/25/976515625.db2.gz SESYTBACBVXXJS-OAQYLSRUSA-N -1 0 384.432 3.767 20 5 GHBDRM CC(C)c1nn(-c2ccccc2)cc1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001592043827 976776944 /nfs/dbraw/zinc/77/69/44/976776944.db2.gz OXAPKKSGPJWREF-UHFFFAOYSA-N -1 0 381.392 3.609 20 5 GHBDRM C[C@H](CC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc21 ZINC001592242811 977463213 /nfs/dbraw/zinc/46/32/13/977463213.db2.gz MVVGCOFMQFCVKL-LRTDBIEQSA-N -1 0 395.415 3.686 20 5 GHBDRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC001592605437 978551872 /nfs/dbraw/zinc/55/18/72/978551872.db2.gz KLJBYELQWDSZKK-LBPRGKRZSA-N -1 0 376.796 3.611 20 5 GHBDRM C[C@](CO)(NCc1ccc(-c2ccccc2C(=O)[O-])o1)c1cccc([N+](=O)[O-])c1 ZINC001592751250 979322530 /nfs/dbraw/zinc/32/25/30/979322530.db2.gz UQZBMBXCPLDLLE-OAQYLSRUSA-N -1 0 396.399 3.550 20 5 GHBDRM C[C@H](Cc1ccc(NC(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC001592865515 979705982 /nfs/dbraw/zinc/70/59/82/979705982.db2.gz CJJLUOSKSQAUHF-KGLIPLIRSA-N -1 0 385.420 3.783 20 5 GHBDRM CCC[C@H]1CN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC001595624140 981729228 /nfs/dbraw/zinc/72/92/28/981729228.db2.gz MUPCIWDGPNGUPX-HNNXBMFYSA-N -1 0 398.415 3.529 20 5 GHBDRM CCNc1ccc(C(=O)N(CC(=O)[O-])[C@@H](CC)c2ccccc2)cc1[N+](=O)[O-] ZINC001596501172 984253105 /nfs/dbraw/zinc/25/31/05/984253105.db2.gz GTYDJLNFAPJHPR-KRWDZBQOSA-N -1 0 385.420 3.705 20 5 GHBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC001589000903 984942374 /nfs/dbraw/zinc/94/23/74/984942374.db2.gz FRNKIDUJSWKINN-DUVHGLKDSA-N -1 0 382.416 3.590 20 5 GHBDRM Cc1c(Br)cccc1CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001599972037 986023284 /nfs/dbraw/zinc/02/32/84/986023284.db2.gz DHMCSRNLRLEBOD-UHFFFAOYSA-N -1 0 393.237 3.947 20 5 GHBDRM CCOc1cc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001597042571 986494964 /nfs/dbraw/zinc/49/49/64/986494964.db2.gz WOYDCDDXUXSFPG-YVEFUNNKSA-N -1 0 387.392 3.577 20 5 GHBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC001597143158 986897511 /nfs/dbraw/zinc/89/75/11/986897511.db2.gz VSBXHGJTHYMAGT-NSHDSACASA-N -1 0 390.417 3.811 20 5 GHBDRM CC/C(=C/C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC001594691382 987090619 /nfs/dbraw/zinc/09/06/19/987090619.db2.gz SKTKWCLOQSLHDN-KXXOPMGUSA-N -1 0 398.415 3.513 20 5 GHBDRM CSc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)cc1[N+](=O)[O-] ZINC001599810215 988320794 /nfs/dbraw/zinc/32/07/94/988320794.db2.gz LPCFGRQYCMAWIN-CQSZACIVSA-N -1 0 381.793 3.953 20 5 GHBDRM CSc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])cn1 ZINC001599817252 988448823 /nfs/dbraw/zinc/44/88/23/988448823.db2.gz IVDJPAFNJHLWGU-UHFFFAOYSA-N -1 0 393.446 3.531 20 5 GHBDRM CC(C)(C)OC(=O)CC[C@H]1CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001589873111 988515297 /nfs/dbraw/zinc/51/52/97/988515297.db2.gz IRYBXQIKGVWHQD-CQSZACIVSA-N -1 0 392.452 3.560 20 5 GHBDRM CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001597843071 989548526 /nfs/dbraw/zinc/54/85/26/989548526.db2.gz GECLYSRVAYLESS-MRXNPFEDSA-N -1 0 382.420 3.628 20 5 GHBDRM CC(C)(C)OC(=O)Nc1cccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001590318724 989749006 /nfs/dbraw/zinc/74/90/06/989749006.db2.gz IYAGOJSTJHFGBW-UHFFFAOYSA-N -1 0 388.380 3.647 20 5 GHBDRM CN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001598082680 990400956 /nfs/dbraw/zinc/40/09/56/990400956.db2.gz CJMYZUOYMBKQAZ-CLFYSBASSA-N -1 0 399.384 3.686 20 5 GHBDRM CC(C)[C@H](CC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001590976437 991125276 /nfs/dbraw/zinc/12/52/76/991125276.db2.gz QJGFVBCWEXKKCH-GHTZIAJQSA-N -1 0 384.432 3.841 20 5 GHBDRM COc1ccccc1C[C@H](CNc1cc(OC)c([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001599706718 991303958 /nfs/dbraw/zinc/30/39/58/991303958.db2.gz DKEAQFUQLVUYIN-GFCCVEGCSA-N -1 0 394.811 3.621 20 5 GHBDRM COc1ccccc1O[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC001599715860 991452657 /nfs/dbraw/zinc/45/26/57/991452657.db2.gz YJLUYEPXYULTGG-OAHLLOKOSA-N -1 0 386.404 3.658 20 5 GHBDRM C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593155241 993965216 /nfs/dbraw/zinc/96/52/16/993965216.db2.gz KDSKWUQVUFSJBT-LRDDRELGSA-N -1 0 398.440 3.871 20 5 GHBDRM C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ncc(C(=O)[O-])s1 ZINC001593291883 994671610 /nfs/dbraw/zinc/67/16/10/994671610.db2.gz FDOHLYWXIIZIFZ-ZETCQYMHSA-N -1 0 375.328 3.619 20 5 GHBDRM CNc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC001598678865 994892542 /nfs/dbraw/zinc/89/25/42/994892542.db2.gz NTBMDHHLZNWHGP-GOSISDBHSA-N -1 0 393.399 3.736 20 5 GHBDRM C[C@@H](OC(=O)c1c(Br)cccc1[N+](=O)[O-])c1cc(C(=O)[O-])co1 ZINC001593563496 995651919 /nfs/dbraw/zinc/65/19/19/995651919.db2.gz LZTGFYLUSVAZFS-SSDOTTSWSA-N -1 0 384.138 3.567 20 5 GHBDRM CC(C)c1sc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)nc1C(=O)[O-] ZINC001593668074 996061542 /nfs/dbraw/zinc/06/15/42/996061542.db2.gz ZEQSBAVDRFDASY-SECBINFHSA-N -1 0 395.462 3.992 20 5 GHBDRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC001593689208 996131062 /nfs/dbraw/zinc/13/10/62/996131062.db2.gz CMGNXZFKKUYRLW-VIFPVBQESA-N -1 0 395.209 3.768 20 5 GHBDRM CC1(C)CCC[C@@](NC(=O)c2cccc([N+](=O)[O-])c2Br)(C(=O)[O-])C1 ZINC001593892770 996743443 /nfs/dbraw/zinc/74/34/43/996743443.db2.gz RPMSMFXEBKKMLE-INIZCTEOSA-N -1 0 399.241 3.511 20 5 GHBDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1 ZINC001599511741 997308475 /nfs/dbraw/zinc/30/84/75/997308475.db2.gz PKFGLCXNCJMNED-INIZCTEOSA-N -1 0 387.392 3.558 20 5 GHBDRM COC(=O)c1cc(COc2cccc(C(F)(F)F)c2[N+](=O)[O-])cc(C(=O)[O-])c1 ZINC001598935369 997854230 /nfs/dbraw/zinc/85/42/30/997854230.db2.gz SROQTVIHLZDTAY-UHFFFAOYSA-N -1 0 399.277 3.677 20 5 GHBDRM COc1cc(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)c([N+](=O)[O-])cc1OC ZINC001599355848 998178157 /nfs/dbraw/zinc/17/81/57/998178157.db2.gz NPHYEOTVAPKOMA-UHFFFAOYSA-N -1 0 396.355 3.716 20 5 GHBDRM COCCOCc1ccc(Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)cc1 ZINC001599253124 998266634 /nfs/dbraw/zinc/26/66/34/998266634.db2.gz UGODSFJLDKGZJP-UHFFFAOYSA-N -1 0 380.784 3.853 20 5 GHBDRM COc1cc2c(cc1F)CN(c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])CC2 ZINC001599464215 998330119 /nfs/dbraw/zinc/33/01/19/998330119.db2.gz BWQAJOVOEYEASV-UHFFFAOYSA-N -1 0 380.759 3.657 20 5 GHBDRM COc1ccc(-c2ccc(CNc3nccc(C(=O)[O-])c3[N+](=O)[O-])cc2)cc1 ZINC001599468589 998409198 /nfs/dbraw/zinc/40/91/98/998409198.db2.gz GAEVJQTXXHRPSH-UHFFFAOYSA-N -1 0 379.372 3.976 20 5 GHBDRM COc1ccc(Br)cc1Oc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001599476127 998534393 /nfs/dbraw/zinc/53/43/93/998534393.db2.gz DNIHKDSVBXWMPK-UHFFFAOYSA-N -1 0 383.154 3.560 20 5 GHBDRM C[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC001594431358 999604753 /nfs/dbraw/zinc/60/47/53/999604753.db2.gz ASAQERMZOGIPEU-GWCFXTLKSA-N -1 0 398.843 3.751 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)ccc1[N+](=O)[O-] ZINC000469096629 1016470594 /nfs/dbraw/zinc/47/05/94/1016470594.db2.gz YUFDFKNOKZQHHS-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831105668 1016897393 /nfs/dbraw/zinc/89/73/93/1016897393.db2.gz QOXJUVYTBUNOIY-LURJTMIESA-N -1 0 395.186 3.911 20 5 GHBDRM COc1ccccc1[C@H](Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC001227095537 1032269682 /nfs/dbraw/zinc/26/96/82/1032269682.db2.gz KSXSQDWTYMCGKD-AWEZNQCLSA-N -1 0 395.293 3.935 20 5 GHBDRM CSc1nc(O[C@H](C)c2ccc(Br)cc2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227624778 1032489952 /nfs/dbraw/zinc/48/99/52/1032489952.db2.gz DTTZUXVMXVYBAA-SSDOTTSWSA-N -1 0 386.227 3.715 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])sc1C(F)(F)F ZINC000562462573 1018180095 /nfs/dbraw/zinc/18/00/95/1018180095.db2.gz SGRNZGPPDLCXSS-UHFFFAOYSA-N -1 0 395.384 3.796 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C2CCOCC2)c1 ZINC000600662194 1020199358 /nfs/dbraw/zinc/19/93/58/1020199358.db2.gz HSCFVOSUMVEJQY-UHFFFAOYSA-N -1 0 396.852 3.943 20 5 GHBDRM O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000901787811 1021447271 /nfs/dbraw/zinc/44/72/71/1021447271.db2.gz SKIVJAUNSRMICY-MRXNPFEDSA-N -1 0 384.310 3.694 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)ccc1Cl ZINC000749150599 1021759295 /nfs/dbraw/zinc/75/92/95/1021759295.db2.gz FALWLDBIYIMOOU-UHFFFAOYSA-N -1 0 378.793 3.908 20 5 GHBDRM Cn1ccnc1[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000754775628 1022889565 /nfs/dbraw/zinc/88/95/65/1022889565.db2.gz XRXWZUKXCJDJNJ-MRXNPFEDSA-N -1 0 386.795 3.881 20 5 GHBDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H](C)c2c(Cl)cncc2Cl)cc1[O-] ZINC001228815653 1033116105 /nfs/dbraw/zinc/11/61/05/1033116105.db2.gz WYTCDMFJIZCTSH-ZETCQYMHSA-N -1 0 387.175 3.929 20 5 GHBDRM O=c1cc(C(F)(F)F)[n-]c(OC2CC(OCc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228859080 1033140477 /nfs/dbraw/zinc/14/04/77/1033140477.db2.gz IKYSEGABIZUCAL-UHFFFAOYSA-N -1 0 384.310 3.841 20 5 GHBDRM CC(C)CCOC(=O)[C@@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001228972562 1033209526 /nfs/dbraw/zinc/20/95/26/1033209526.db2.gz YSQKQZOJVZCPIX-SFHVURJKSA-N -1 0 375.377 3.715 20 5 GHBDRM CC[C@H]1CCCC[C@@H]1NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001141540504 1025436532 /nfs/dbraw/zinc/43/65/32/1025436532.db2.gz PAOFGDLUPDCYLM-AAEUAGOBSA-N -1 0 392.843 3.838 20 5 GHBDRM O=[N+]([O-])c1ncc(-c2nc(-c3cc(Cl)ccc3Br)no2)cc1[O-] ZINC001213596240 1028286753 /nfs/dbraw/zinc/28/67/53/1028286753.db2.gz SXGDRKPNXRSCJW-UHFFFAOYSA-N -1 0 397.572 3.828 20 5 GHBDRM COc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3[O-])n2)c(Br)c1 ZINC001216563822 1029687902 /nfs/dbraw/zinc/68/79/02/1029687902.db2.gz NNCDRXOGLOXYTG-UHFFFAOYSA-N -1 0 392.165 3.789 20 5 GHBDRM O=[N+]([O-])c1cc([O-])ccc1-c1nc(-c2cc(F)ccc2Br)no1 ZINC001216891747 1029982870 /nfs/dbraw/zinc/98/28/70/1029982870.db2.gz VDVQANXMLXEDSV-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM O=[N+]([O-])c1cc([O-])cc(-c2nc(-c3cc(F)ccc3Br)no2)c1 ZINC001216924359 1030003413 /nfs/dbraw/zinc/00/34/13/1030003413.db2.gz GPCKEGAPSMAYJH-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM CC(=O)N1CCCc2cc(-c3noc(-c4cc([N+](=O)[O-])c(C)cc4[O-])n3)ccc21 ZINC001216946229 1030018859 /nfs/dbraw/zinc/01/88/59/1030018859.db2.gz LKDYCKDTJNMFOE-UHFFFAOYSA-N -1 0 394.387 3.625 20 5 GHBDRM COc1cc(-c2noc(-c3cc([N+](=O)[O-])c([O-])cc3C)n2)cc(Cl)c1OC ZINC001217097429 1030160118 /nfs/dbraw/zinc/16/01/18/1030160118.db2.gz VBWOZRFMJKRAEU-UHFFFAOYSA-N -1 0 391.767 3.996 20 5 GHBDRM Cc1ccc(-c2noc(-c3cc(=O)c4cc([N+](=O)[O-])ccc4[n-]3)n2)c(F)c1F ZINC001217510197 1030453214 /nfs/dbraw/zinc/45/32/14/1030453214.db2.gz YELVMFCXMFMDTR-UHFFFAOYSA-N -1 0 384.298 3.740 20 5 GHBDRM CC(C)=CCc1c([O-])cc2oc3ccc(O)cc3c(=O)c2c1O[C@H]1C[C@@H](O)C1 ZINC001218424438 1030933676 /nfs/dbraw/zinc/93/36/76/1030933676.db2.gz WTTABEMVOAFKNG-OKILXGFUSA-N -1 0 382.412 3.768 20 5 GHBDRM CN(C)[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(Cl)cc1 ZINC001152449215 1031248163 /nfs/dbraw/zinc/24/81/63/1031248163.db2.gz ROELZBSGHHBEBO-CQSZACIVSA-N -1 0 384.219 3.849 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC001153454566 1031599535 /nfs/dbraw/zinc/59/95/35/1031599535.db2.gz ALOAFVBQCFMTCN-MRXNPFEDSA-N -1 0 375.812 3.557 20 5 GHBDRM CCNC(=O)Nc1cccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1C ZINC001156880355 1033301312 /nfs/dbraw/zinc/30/13/12/1033301312.db2.gz HUZUPRLQDCBSNL-UHFFFAOYSA-N -1 0 392.799 3.656 20 5 GHBDRM CCOC(=O)C[C@H](Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc21)C(F)(F)F ZINC001229797637 1033723446 /nfs/dbraw/zinc/72/34/46/1033723446.db2.gz IWQPCXJEIGZAMO-INIZCTEOSA-N -1 0 396.317 3.915 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2Cc3ccccc3-c3ccccc3C2)ccc1[O-] ZINC001208913807 1035087507 /nfs/dbraw/zinc/08/75/07/1035087507.db2.gz UFHTYLKTTVZXJQ-UHFFFAOYSA-N -1 0 396.424 3.672 20 5 GHBDRM CC(C)=CCc1c([O-])cc(O[C@@H](C)CON)c2c(=O)c3cccc(O)c3oc12 ZINC001234742328 1040268979 /nfs/dbraw/zinc/26/89/79/1040268979.db2.gz XDVFUYJATUWQTB-LBPRGKRZSA-N -1 0 385.416 3.524 20 5 GHBDRM O=C(N[C@H](COc1ccccc1F)c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001291587017 1043351278 /nfs/dbraw/zinc/35/12/78/1043351278.db2.gz VGJLWIKIVTVUFW-GOSISDBHSA-N -1 0 396.374 3.990 20 5 GHBDRM CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001292128773 1043600432 /nfs/dbraw/zinc/60/04/32/1043600432.db2.gz FOESSTZSGNNFIL-UHFFFAOYSA-N -1 0 383.282 3.530 20 5 GHBDRM CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])Oc1ccccc1C(F)(F)F ZINC001294370260 1044592847 /nfs/dbraw/zinc/59/28/47/1044592847.db2.gz QDFOORDXWRHXSE-GFCCVEGCSA-N -1 0 398.337 3.907 20 5 GHBDRM O=C(Cc1cc(C(F)(F)F)ccn1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001295614432 1045071801 /nfs/dbraw/zinc/07/18/01/1045071801.db2.gz KWUZPLCQNBJHRY-UHFFFAOYSA-N -1 0 375.690 3.549 20 5 GHBDRM O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001298527434 1045854546 /nfs/dbraw/zinc/85/45/46/1045854546.db2.gz GFUAKTROLYHFCR-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM CC[C@@H]1CCC[C@H](C)N1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001301271727 1046443520 /nfs/dbraw/zinc/44/35/20/1046443520.db2.gz GFHYZMDMYIYSED-WCQYABFASA-N -1 0 392.843 3.933 20 5 GHBDRM CC(C)(NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1nc2cc(Cl)ccc2o1 ZINC001302386293 1046928719 /nfs/dbraw/zinc/92/87/19/1046928719.db2.gz ZUGJLZABGIGGDX-UHFFFAOYSA-N -1 0 375.768 3.760 20 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ZINC001453210461 1061093653 /nfs/dbraw/zinc/09/36/53/1061093653.db2.gz DCESIZAOBDXXSL-IBGZPJMESA-N -1 0 378.384 3.828 20 5 GHBDRM O=C(Nc1c[nH]c2ccc(Br)cc12)c1cccc([N+](=O)[O-])c1[O-] ZINC001455719247 1062275610 /nfs/dbraw/zinc/27/56/10/1062275610.db2.gz YTBWJYVTSIHUED-UHFFFAOYSA-N -1 0 376.166 3.797 20 5 GHBDRM CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001457242328 1063055461 /nfs/dbraw/zinc/05/54/61/1063055461.db2.gz FJNMLFMTMRRUJD-LLVKDONJSA-N -1 0 375.450 3.544 20 5 GHBDRM CC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001463798563 1064627370 /nfs/dbraw/zinc/62/73/70/1064627370.db2.gz VIBODWAIAIIYJJ-MNOVXSKESA-N -1 0 378.853 3.882 20 5 GHBDRM C[C@@H]1CCC[C@H](C)N(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])C1 ZINC001465222339 1065473445 /nfs/dbraw/zinc/47/34/45/1065473445.db2.gz KHJLWEHBQUAWKS-NEPJUHHUSA-N -1 0 392.843 3.790 20 5 GHBDRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001467352391 1067245473 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O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000833188051 600942399 /nfs/dbraw/zinc/94/23/99/600942399.db2.gz VNTJBIATNSMWPV-NEPJUHHUSA-N -1 0 375.406 3.548 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCc2ccccc2Cn2cccn2)cc1Cl ZINC000740094399 600942983 /nfs/dbraw/zinc/94/29/83/600942983.db2.gz CNUCIHCXJKRFOR-UHFFFAOYSA-N -1 0 386.795 3.803 20 5 GHBDRM C[C@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000736823389 600943812 /nfs/dbraw/zinc/94/38/12/600943812.db2.gz LGBBPMPCZGJSPY-APPDUMDISA-N -1 0 376.796 3.913 20 5 GHBDRM O=C([O-])c1cccc(-c2nc(COC(=O)Cc3ccccc3[N+](=O)[O-])cs2)c1 ZINC000833118571 601061479 /nfs/dbraw/zinc/06/14/79/601061479.db2.gz SGRDOXBXXUUPTH-UHFFFAOYSA-N -1 0 398.396 3.702 20 5 GHBDRM CC[C@H](NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000828951710 601129482 /nfs/dbraw/zinc/12/94/82/601129482.db2.gz QHZLKWOJJFKTAE-KRWDZBQOSA-N -1 0 386.408 3.977 20 5 GHBDRM CCC1CCC(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])(C(=O)[O-])CC1 ZINC000829094298 601276538 /nfs/dbraw/zinc/27/65/38/601276538.db2.gz VPBOONADPKYHTQ-UHFFFAOYSA-N -1 0 388.342 3.767 20 5 GHBDRM CC[C@H](NC(=O)NCCc1ccc(NC(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000828951386 601335552 /nfs/dbraw/zinc/33/55/52/601335552.db2.gz MINXMXFTHCUSLQ-KRWDZBQOSA-N -1 0 386.408 3.678 20 5 GHBDRM C[C@@H](NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1cc2ccccc2o1 ZINC000827890324 601373109 /nfs/dbraw/zinc/37/31/09/601373109.db2.gz QBZWTCRUOINKHB-VXGBXAGGSA-N -1 0 398.371 3.684 20 5 GHBDRM O=C([O-])c1cc(Br)ccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000833102587 601647830 /nfs/dbraw/zinc/64/78/30/601647830.db2.gz MZUWESRNODQTGW-UHFFFAOYSA-N -1 0 393.193 3.627 20 5 GHBDRM O=C([O-])Nc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)c1 ZINC000833281311 601985166 /nfs/dbraw/zinc/98/51/66/601985166.db2.gz INFNSMGVZOQNNH-UHFFFAOYSA-N -1 0 383.282 3.634 20 5 GHBDRM 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C[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])[C@H]1C ZINC000833607115 605002542 /nfs/dbraw/zinc/00/25/42/605002542.db2.gz CKKFZLYXTQTZAA-TYNCELHUSA-N -1 0 380.466 3.716 20 5 GHBDRM O=C([O-])C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000833772512 605309728 /nfs/dbraw/zinc/30/97/28/605309728.db2.gz AURDLOCHWJOEGB-CQSZACIVSA-N -1 0 382.294 3.559 20 5 GHBDRM Cn1ccnc1[C@H](Nc1ccc2c(c1)CCN2C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000833955648 605817360 /nfs/dbraw/zinc/81/73/60/605817360.db2.gz SYZHFJFJLGHLJB-GOSISDBHSA-N -1 0 393.403 3.570 20 5 GHBDRM O=C([O-])N1CCc2cc(NC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc21 ZINC000834121752 606103947 /nfs/dbraw/zinc/10/39/47/606103947.db2.gz CGFAEMFNBSVEQJ-UHFFFAOYSA-N -1 0 382.420 3.716 20 5 GHBDRM CC[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001167701575 837451002 /nfs/dbraw/zinc/45/10/02/837451002.db2.gz AUDFFYYOLGUKEA-ZDUSSCGKSA-N -1 0 393.237 3.814 20 5 GHBDRM 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Cc1cccc2nc(C3CCN(C(=O)c4ccc([O-])c([N+](=O)[O-])c4)CC3)oc21 ZINC000188472954 835879042 /nfs/dbraw/zinc/87/90/42/835879042.db2.gz WLXKZAGNDDBAEY-UHFFFAOYSA-N -1 0 381.388 3.770 20 5 GHBDRM Cc1cccc2nc(C3CCN(C(=O)c4cccc([N+](=O)[O-])c4[O-])CC3)oc21 ZINC000188516991 836064088 /nfs/dbraw/zinc/06/40/88/836064088.db2.gz GZPKCZAHBUARIQ-UHFFFAOYSA-N -1 0 381.388 3.770 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2cc(Br)c(Cl)cc21 ZINC000615889173 836379626 /nfs/dbraw/zinc/37/96/26/836379626.db2.gz PNWATXKHVKPDQK-UHFFFAOYSA-N -1 0 397.612 3.919 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2ncc3n2CCCC3)cc1 ZINC000430366193 836817703 /nfs/dbraw/zinc/81/77/03/836817703.db2.gz OZUKOTMAHVTGQY-UHFFFAOYSA-N -1 0 398.444 3.595 20 5 GHBDRM Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4cc([O-])ccc4[N+](=O)[O-])C3)nc2c1 ZINC000376141748 837016685 /nfs/dbraw/zinc/01/66/85/837016685.db2.gz DSKKTRMPWMYIAN-ZDUSSCGKSA-N -1 0 380.404 3.505 20 5 GHBDRM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000319113279 838266965 /nfs/dbraw/zinc/26/69/65/838266965.db2.gz ZTSSYYVYACUDHU-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1oc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc1C1CC1 ZINC000414451482 838280570 /nfs/dbraw/zinc/28/05/70/838280570.db2.gz JTGSVMZTTMGFSL-UHFFFAOYSA-N -1 0 391.327 3.588 20 5 GHBDRM CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000610032914 838436684 /nfs/dbraw/zinc/43/66/84/838436684.db2.gz VAIHVJMXWWNBGA-LLVKDONJSA-N -1 0 386.861 3.853 20 5 GHBDRM Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000471588308 839748001 /nfs/dbraw/zinc/74/80/01/839748001.db2.gz XJAZUSVVFRYMET-CQSZACIVSA-N -1 0 386.433 3.510 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)c1C ZINC000610483215 840770867 /nfs/dbraw/zinc/77/08/67/840770867.db2.gz FRMJKINRRWLBDR-UHFFFAOYSA-N -1 0 375.450 3.613 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(OC2CCCC2)c1 ZINC000055583695 861261216 /nfs/dbraw/zinc/26/12/16/861261216.db2.gz PNBGUDDSFHOELK-UHFFFAOYSA-N -1 0 392.433 3.726 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000467080762 842183712 /nfs/dbraw/zinc/18/37/12/842183712.db2.gz WHBCFPANESCAOS-UHFFFAOYSA-N -1 0 394.449 3.829 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(F)c1 ZINC000131282915 861295640 /nfs/dbraw/zinc/29/56/40/861295640.db2.gz WPWBQXPWQMNSFA-UHFFFAOYSA-N -1 0 399.831 3.788 20 5 GHBDRM CN(Cc1ccc(Br)cc1Cl)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000482368791 843081314 /nfs/dbraw/zinc/08/13/14/843081314.db2.gz FUOKFUBOISXAAL-UHFFFAOYSA-N -1 0 399.628 3.989 20 5 GHBDRM C[C@@H](c1ccccc1Br)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000125779870 843122026 /nfs/dbraw/zinc/12/20/26/843122026.db2.gz VCKGKWYWTPZMEJ-JTQLQIEISA-N -1 0 379.210 3.896 20 5 GHBDRM Cc1cccc([C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(F)(F)F)c1 ZINC000512399725 843658422 /nfs/dbraw/zinc/65/84/22/843658422.db2.gz AJYQEMWBAWPQHF-AWEZNQCLSA-N -1 0 392.330 3.624 20 5 GHBDRM Cc1sc([C@@H]2CCCN2c2nc3ccccc3cc2[N+](=O)[O-])nc1C(=O)[O-] ZINC000573687407 844663052 /nfs/dbraw/zinc/66/30/52/844663052.db2.gz GXLQPTTWHIZMFJ-ZDUSSCGKSA-N -1 0 384.417 3.948 20 5 GHBDRM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000603986755 861508369 /nfs/dbraw/zinc/50/83/69/861508369.db2.gz HWVSICLJJNPANO-UHFFFAOYSA-N -1 0 397.840 3.624 20 5 GHBDRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000471993303 845100756 /nfs/dbraw/zinc/10/07/56/845100756.db2.gz UJQMDPHURFBDRQ-UHFFFAOYSA-N -1 0 393.193 3.925 20 5 GHBDRM CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000538467071 845474480 /nfs/dbraw/zinc/47/44/80/845474480.db2.gz WLJNLTWSKBISBF-UHFFFAOYSA-N -1 0 398.293 3.963 20 5 GHBDRM Cc1ccc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2c1 ZINC000604017845 861587556 /nfs/dbraw/zinc/58/75/56/861587556.db2.gz JUZIEXSWDURGFJ-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000512816520 845628075 /nfs/dbraw/zinc/62/80/75/845628075.db2.gz QYPKYOSIARSZQN-QGZVFWFLSA-N -1 0 380.404 3.647 20 5 GHBDRM CCOc1cc(Br)ccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183291417 847053822 /nfs/dbraw/zinc/05/38/22/847053822.db2.gz OORLQFXHQJXSAE-UHFFFAOYSA-N -1 0 381.182 3.714 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccccc1N1CCCCCC1 ZINC000731782551 861888038 /nfs/dbraw/zinc/88/80/38/861888038.db2.gz WFBXNPZNBROJAE-UHFFFAOYSA-N -1 0 393.440 3.915 20 5 GHBDRM O=C(NCC1(c2ccc3c(c2)OCO3)CCCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000518795385 850142742 /nfs/dbraw/zinc/14/27/42/850142742.db2.gz KKCWFHALIQMAQL-UHFFFAOYSA-N -1 0 398.415 3.661 20 5 GHBDRM COc1cc([C@@H](C)NC(=O)c2cc([O-])ccc2[N+](=O)[O-])ccc1OCC(C)C ZINC000505308244 850818535 /nfs/dbraw/zinc/81/85/35/850818535.db2.gz OGGPWXQXBKWOQA-CYBMUJFWSA-N -1 0 388.420 3.835 20 5 GHBDRM CC[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000506777235 850880656 /nfs/dbraw/zinc/88/06/56/850880656.db2.gz NIHUFQZRUKSXPC-AWEZNQCLSA-N -1 0 394.330 3.776 20 5 GHBDRM CCCc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1 ZINC000515409247 850989818 /nfs/dbraw/zinc/98/98/18/850989818.db2.gz KZWIVTKHUVIVHQ-UHFFFAOYSA-N -1 0 386.433 3.534 20 5 GHBDRM Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000327706633 851994979 /nfs/dbraw/zinc/99/49/79/851994979.db2.gz PNZLDNHBMSIEFO-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM CN(Cc1ccc(Br)cc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436578684 852086531 /nfs/dbraw/zinc/08/65/31/852086531.db2.gz BAJSPMQGQFPKQB-UHFFFAOYSA-N -1 0 399.628 3.989 20 5 GHBDRM CCN(Cc1cc(Br)ccc1F)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436670047 852167834 /nfs/dbraw/zinc/16/78/34/852167834.db2.gz OQCFOOITBOCYLU-UHFFFAOYSA-N -1 0 397.200 3.864 20 5 GHBDRM CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436826228 852394672 /nfs/dbraw/zinc/39/46/72/852394672.db2.gz GULSGCHTUDDNMO-UHFFFAOYSA-N -1 0 384.310 3.514 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000436889798 852462584 /nfs/dbraw/zinc/46/25/84/852462584.db2.gz YAUSLPWJFBCCFQ-LBPRGKRZSA-N -1 0 397.214 3.901 20 5 GHBDRM O=C(Nc1cccc2c1CN(c1nccs1)C2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507094476 852538986 /nfs/dbraw/zinc/53/89/86/852538986.db2.gz MJCFZCDJBZIECP-UHFFFAOYSA-N -1 0 382.401 3.529 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000507086253 852551731 /nfs/dbraw/zinc/55/17/31/852551731.db2.gz NJOJIJYYCVPZGC-ZDUSSCGKSA-N -1 0 390.823 3.885 20 5 GHBDRM C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436972353 852553953 /nfs/dbraw/zinc/55/39/53/852553953.db2.gz NYQPJUXZRJTWQK-VIFPVBQESA-N -1 0 397.200 3.563 20 5 GHBDRM O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505952278 852680103 /nfs/dbraw/zinc/68/01/03/852680103.db2.gz HEOZKKDCXWNSMU-UHFFFAOYSA-N -1 0 391.355 3.878 20 5 GHBDRM CCCCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c(C)c1 ZINC000518081640 852816682 /nfs/dbraw/zinc/81/66/82/852816682.db2.gz UWGXKWSMIPSGIV-UHFFFAOYSA-N -1 0 394.449 3.892 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)c1[N+](=O)[O-] ZINC000481871602 862453311 /nfs/dbraw/zinc/45/33/11/862453311.db2.gz VCTORSFNGRXNOO-UHFFFAOYSA-N -1 0 397.884 3.727 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1NC(C)=O ZINC000517298418 853633577 /nfs/dbraw/zinc/63/35/77/853633577.db2.gz KZMXZCODDBLKIL-UHFFFAOYSA-N -1 0 397.840 3.570 20 5 GHBDRM COCCSc1ccc([C@@H](C)Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000571566359 853952081 /nfs/dbraw/zinc/95/20/81/853952081.db2.gz RENLDWCOAMDCGR-LLVKDONJSA-N -1 0 377.422 3.600 20 5 GHBDRM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cn2)cc1 ZINC000055621678 854044767 /nfs/dbraw/zinc/04/47/67/854044767.db2.gz YYUKMWJMWVUBLY-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1-c1ncco1 ZINC000164710655 854228352 /nfs/dbraw/zinc/22/83/52/854228352.db2.gz YLWUQISMUPOGPF-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM C[C@H]1CCCN(c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)cc2[N+](=O)[O-])C1 ZINC000481964738 862574035 /nfs/dbraw/zinc/57/40/35/862574035.db2.gz VNCNZFULJDFNPB-ZDUSSCGKSA-N -1 0 383.404 3.782 20 5 GHBDRM O=[N+]([O-])c1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000055589935 854758765 /nfs/dbraw/zinc/75/87/65/854758765.db2.gz SMAIJKSGUOZUTP-UHFFFAOYSA-N -1 0 384.769 3.712 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)ccc1[N+](=O)[O-] ZINC000165233761 854787707 /nfs/dbraw/zinc/78/77/07/854787707.db2.gz HRRNWIXADXKTIO-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000590613389 855508641 /nfs/dbraw/zinc/50/86/41/855508641.db2.gz NZSHEKORECWMPR-UHFFFAOYSA-N -1 0 384.413 3.927 20 5 GHBDRM C[C@H](NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC000591269831 855874650 /nfs/dbraw/zinc/87/46/50/855874650.db2.gz WMKRRALXSJQJDE-AWEZNQCLSA-N -1 0 397.431 3.943 20 5 GHBDRM CCCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC ZINC000025916405 855983280 /nfs/dbraw/zinc/98/32/80/855983280.db2.gz PALIHTUWQWLSMH-UHFFFAOYSA-N -1 0 379.438 3.616 20 5 GHBDRM Cc1cc(Cl)ccc1N1C(=O)C(=Cc2ccc([O-])c([N+](=O)[O-])c2)NC1=S ZINC000008207979 856059425 /nfs/dbraw/zinc/05/94/25/856059425.db2.gz ODWLRCUOHNTGQT-KPKJPENVSA-N -1 0 389.820 3.524 20 5 GHBDRM CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000171345725 856097524 /nfs/dbraw/zinc/09/75/24/856097524.db2.gz IIRFWCNPFALQEE-UHFFFAOYSA-N -1 0 375.450 3.511 20 5 GHBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000591563400 856152829 /nfs/dbraw/zinc/15/28/29/856152829.db2.gz DHNCAQHNFLMAFT-STQMWFEESA-N -1 0 392.477 3.812 20 5 GHBDRM Cc1oc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000573688249 856472174 /nfs/dbraw/zinc/47/21/74/856472174.db2.gz RJQAGSGPCFDDRM-UHFFFAOYSA-N -1 0 395.240 3.856 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F 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399.428 3.733 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(OCCC(C)C)c1 ZINC000619466878 872663093 /nfs/dbraw/zinc/66/30/93/872663093.db2.gz ARFVGKHEXPLMAH-UHFFFAOYSA-N -1 0 394.449 3.829 20 5 GHBDRM O=C(Nc1ccccc1-c1ncc2n1CCCC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000619581173 872767956 /nfs/dbraw/zinc/76/79/56/872767956.db2.gz WSSYAVZMKYJWQZ-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM O=[N+]([O-])c1cc(F)ccc1Sc1n[n-]c(=NCCc2ccccc2)s1 ZINC000619717395 872917369 /nfs/dbraw/zinc/91/73/69/872917369.db2.gz GJMAHCYGPWGIIM-UHFFFAOYSA-N -1 0 376.438 3.813 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000541305158 873326259 /nfs/dbraw/zinc/32/62/59/873326259.db2.gz LFZISTJQHYYNGD-LBPRGKRZSA-N -1 0 392.433 3.536 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CC/C=C/c2ccccc2)cc([N+](=O)[O-])c1C ZINC000121486547 874085596 /nfs/dbraw/zinc/08/55/96/874085596.db2.gz NXZKAGCPETUXDU-UXBLZVDNSA-N -1 0 388.445 3.510 20 5 GHBDRM 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ICWOZSRPHKMUMH-KRWDZBQOSA-N -1 0 395.463 3.833 20 5 GHBDRM O=C([O-])CCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 ZINC000786619157 876815561 /nfs/dbraw/zinc/81/55/61/876815561.db2.gz FRADMYCJHKDEDU-UHFFFAOYSA-N -1 0 397.431 3.855 20 5 GHBDRM Cc1c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)c2ccccc2n1C ZINC000551017414 883087271 /nfs/dbraw/zinc/08/72/71/883087271.db2.gz NXNGFMLWGIOGAK-UHFFFAOYSA-N -1 0 396.428 3.744 20 5 GHBDRM COc1cc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])c(SC)cc1OC ZINC000610150969 877438602 /nfs/dbraw/zinc/43/86/02/877438602.db2.gz XHNLGRBZZTWNDA-PLNGDYQASA-N -1 0 376.390 3.598 20 5 GHBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(OCC(F)(F)F)cc1 ZINC000067861040 877505380 /nfs/dbraw/zinc/50/53/80/877505380.db2.gz JGOCXYOAGFBOCM-JTQLQIEISA-N -1 0 384.310 3.733 20 5 GHBDRM COc1ccc2[nH]cc(C3=CCN(C(=O)c4ccc([N+](=O)[O-])cc4[O-])CC3)c2c1 ZINC000130208942 877651963 /nfs/dbraw/zinc/65/19/63/877651963.db2.gz BGOPSNXNYXXFCF-UHFFFAOYSA-N -1 0 393.399 3.720 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3F)on2)ccc1Cl ZINC000788557234 878150402 /nfs/dbraw/zinc/15/04/02/878150402.db2.gz GMAMRRROKOBDTN-UHFFFAOYSA-N -1 0 397.771 3.843 20 5 GHBDRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237944542 878373813 /nfs/dbraw/zinc/37/38/13/878373813.db2.gz PAIUVYIKERODCW-ZDUSSCGKSA-N -1 0 389.433 3.578 20 5 GHBDRM COc1ccc2[nH]cc(CC(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])c2c1 ZINC000180780616 879313692 /nfs/dbraw/zinc/31/36/92/879313692.db2.gz XKRUMTZJXAHPBC-UHFFFAOYSA-N -1 0 375.768 3.625 20 5 GHBDRM Cc1oc(-c2ccco2)nc1CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180786306 879354255 /nfs/dbraw/zinc/35/42/55/879354255.db2.gz JRESXFCBXZYBED-UHFFFAOYSA-N -1 0 377.740 3.691 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc([N+](=O)[O-])c1 ZINC000263556410 879467564 /nfs/dbraw/zinc/46/75/64/879467564.db2.gz ZAJHFWWTPINAKU-QRVBRYPASA-N -1 0 380.400 3.701 20 5 GHBDRM O=C(Nc1ccc(OC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1)c1ccsc1 ZINC000791351303 880365093 /nfs/dbraw/zinc/36/50/93/880365093.db2.gz DYICQRJUOBYBOV-UHFFFAOYSA-N -1 0 384.369 3.833 20 5 GHBDRM O=[N+]([O-])c1ccccc1-c1ccc(CN=c2[n-]nc(C3CCOCC3)s2)o1 ZINC000453050846 880398952 /nfs/dbraw/zinc/39/89/52/880398952.db2.gz ITZJVYOSYBGLKP-UHFFFAOYSA-N -1 0 386.433 3.634 20 5 GHBDRM CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000761618369 881320249 /nfs/dbraw/zinc/32/02/49/881320249.db2.gz GBTDBHWXLIKQPI-INIZCTEOSA-N -1 0 394.836 3.625 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)c2ccccc21 ZINC000055546125 883608568 /nfs/dbraw/zinc/60/85/68/883608568.db2.gz JURVTRORITXMGO-UHFFFAOYSA-N -1 0 388.401 3.566 20 5 GHBDRM Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000116594630 883630596 /nfs/dbraw/zinc/63/05/96/883630596.db2.gz LCIORWLCDRIBNJ-GFCCVEGCSA-N -1 0 396.852 3.555 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cc4ccccc4o3)n[nH]2)c1 ZINC000153195337 883715914 /nfs/dbraw/zinc/71/59/14/883715914.db2.gz WKJMOJHBILSYOQ-UHFFFAOYSA-N -1 0 384.373 3.532 20 5 GHBDRM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000475785676 883789212 /nfs/dbraw/zinc/78/92/12/883789212.db2.gz AAVWTYQQXIDHDO-UHFFFAOYSA-N -1 0 379.394 3.658 20 5 GHBDRM COc1cccc(-c2nc(=NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)s[n-]2)c1 ZINC000476295895 884389479 /nfs/dbraw/zinc/38/94/79/884389479.db2.gz UITLUFRQYOXCBD-UHFFFAOYSA-N -1 0 396.384 3.542 20 5 GHBDRM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1nc(C)cs1 ZINC000795826334 912879440 /nfs/dbraw/zinc/87/94/40/912879440.db2.gz ZJKAPXFBQBOSTP-JTQLQIEISA-N -1 0 393.849 3.582 20 5 GHBDRM CSc1cc(C)ccc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000465478304 885058632 /nfs/dbraw/zinc/05/86/32/885058632.db2.gz XIQYXCCFWRMZRI-UHFFFAOYSA-N -1 0 386.882 3.757 20 5 GHBDRM CC(C)NC(=O)c1ccc(N[C@@H](CCC(=O)[O-])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000263537493 885107882 /nfs/dbraw/zinc/10/78/82/885107882.db2.gz AIXYPNWQHBFCCT-KRWDZBQOSA-N -1 0 399.447 3.621 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccnc1OCc1ccccc1 ZINC000609219100 885434227 /nfs/dbraw/zinc/43/42/27/885434227.db2.gz NFKXCJGLRPSKPI-UHFFFAOYSA-N -1 0 399.428 3.678 20 5 GHBDRM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000532610368 886427769 /nfs/dbraw/zinc/42/77/69/886427769.db2.gz QMHMFTIMKOHYPM-UHFFFAOYSA-N -1 0 399.350 3.906 20 5 GHBDRM CC[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])Oc1ccccc1C(F)(F)F ZINC000556917748 886679603 /nfs/dbraw/zinc/67/96/03/886679603.db2.gz RAMKFYKWCJVIOJ-LBPRGKRZSA-N -1 0 398.337 3.907 20 5 GHBDRM CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000862831169 886680646 /nfs/dbraw/zinc/68/06/46/886680646.db2.gz FKVMWMGBBLQMBI-UHFFFAOYSA-N -1 0 387.392 3.924 20 5 GHBDRM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3c(F)cccc3F)s2)c1 ZINC001132220743 888445246 /nfs/dbraw/zinc/44/52/46/888445246.db2.gz RICJMMVVZXMUHQ-UHFFFAOYSA-N -1 0 392.343 3.652 20 5 GHBDRM O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)C3=Cc4ccccc4CC3)sc2c1 ZINC000916567451 889142703 /nfs/dbraw/zinc/14/27/03/889142703.db2.gz GNLGODGMIGHPMO-UHFFFAOYSA-N -1 0 387.442 3.934 20 5 GHBDRM O=C([O-])/C=C\c1ccc(NCc2cccc(Cn3ccnc3)c2)c([N+](=O)[O-])c1 ZINC000917055620 890839113 /nfs/dbraw/zinc/83/91/13/890839113.db2.gz SLBNDNQSZBOPPL-ALCCZGGFSA-N -1 0 378.388 3.550 20 5 GHBDRM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1 ZINC000918143075 893219903 /nfs/dbraw/zinc/21/99/03/893219903.db2.gz NZXPDBVAUOFDCK-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccccn1 ZINC000815010336 893335888 /nfs/dbraw/zinc/33/58/88/893335888.db2.gz TYMVPYMLVKWRMX-ZDUSSCGKSA-N -1 0 387.820 3.602 20 5 GHBDRM O=C([O-])c1ccnc(N2CCC(F)(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000563214564 893487784 /nfs/dbraw/zinc/48/77/84/893487784.db2.gz YBYMYOJQZRQUQO-UHFFFAOYSA-N -1 0 379.775 3.807 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](c2ccccc2)C2CCCCC2)ccc1[O-] ZINC001185405323 913868982 /nfs/dbraw/zinc/86/89/82/913868982.db2.gz ZIUKHBDOBPTFAG-LJQANCHMSA-N -1 0 390.461 3.900 20 5 GHBDRM O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc2c1 ZINC000537353720 894824440 /nfs/dbraw/zinc/82/44/40/894824440.db2.gz VTJCSWOUMZFYMI-UHFFFAOYSA-N -1 0 398.227 3.673 20 5 GHBDRM O=C(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000816795186 895081936 /nfs/dbraw/zinc/08/19/36/895081936.db2.gz VAIPQQPUWXLQIX-MOPGFXCFSA-N -1 0 378.384 3.505 20 5 GHBDRM O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000476094514 895160250 /nfs/dbraw/zinc/16/02/50/895160250.db2.gz YMFITCYBASIRKS-UHFFFAOYSA-N -1 0 376.275 3.540 20 5 GHBDRM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)nc1Cl ZINC000817879441 895946703 /nfs/dbraw/zinc/94/67/03/895946703.db2.gz JXCWEVACILAUQL-ZETCQYMHSA-N -1 0 389.717 3.859 20 5 GHBDRM CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000818052752 896035465 /nfs/dbraw/zinc/03/54/65/896035465.db2.gz HGSNBAPWISLPMA-UHFFFAOYSA-N -1 0 393.252 3.559 20 5 GHBDRM COCCSc1ccc([C@H](C)Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000566292148 896219813 /nfs/dbraw/zinc/21/98/13/896219813.db2.gz XYADXNWWTAGJQU-NSHDSACASA-N -1 0 377.422 3.600 20 5 GHBDRM COc1cc([C@H](C)Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])ccc1OC(C)C ZINC000566858563 896638642 /nfs/dbraw/zinc/63/86/42/896638642.db2.gz QGXPERKWSZERDE-LBPRGKRZSA-N -1 0 389.408 3.965 20 5 GHBDRM O=C(N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000569461193 898683968 /nfs/dbraw/zinc/68/39/68/898683968.db2.gz VOAWSXHXINVHDV-TZMCWYRMSA-N -1 0 380.404 3.633 20 5 GHBDRM Cc1cc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc(N2CCCC2)n1 ZINC000844215142 900609689 /nfs/dbraw/zinc/60/96/89/900609689.db2.gz YYNWYEPNDINNHW-ALCCZGGFSA-N -1 0 382.420 3.608 20 5 GHBDRM C[C@H](Cc1ccccc1Cl)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600879322 903039355 /nfs/dbraw/zinc/03/93/55/903039355.db2.gz WKYVVUANAZUZHF-CWTRNNRKSA-N -1 0 390.823 3.543 20 5 GHBDRM CC[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])Oc1ccccc1C(F)(F)F ZINC001148989719 904275322 /nfs/dbraw/zinc/27/53/22/904275322.db2.gz ZMWPZFHYTYBNBJ-NSHDSACASA-N -1 0 398.337 3.907 20 5 GHBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CSc1n[n-]c(=S)s1 ZINC000175959650 905712759 /nfs/dbraw/zinc/71/27/59/905712759.db2.gz GJHKBSIPMXIDFH-UHFFFAOYSA-N -1 0 390.899 3.513 20 5 GHBDRM Cn1nc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c2ccc(Br)cc21 ZINC001174502373 907079059 /nfs/dbraw/zinc/07/90/59/907079059.db2.gz MDKKANCIJJUXDO-UHFFFAOYSA-N -1 0 391.181 3.686 20 5 GHBDRM CCOC(=O)Cc1ccc(Cl)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174505823 907080843 /nfs/dbraw/zinc/08/08/43/907080843.db2.gz PFJSNVMRYMFXMH-UHFFFAOYSA-N -1 0 378.768 3.796 20 5 GHBDRM COc1cccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1C(=O)C(F)(F)F ZINC001174505835 907081563 /nfs/dbraw/zinc/08/15/63/907081563.db2.gz PRRBLQQLJFXYGV-UHFFFAOYSA-N -1 0 384.266 3.790 20 5 GHBDRM COc1cccc(Cn2nc(C)cc2Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176678020 908205464 /nfs/dbraw/zinc/20/54/64/908205464.db2.gz IDIVUYZFQZPAOG-UHFFFAOYSA-N -1 0 382.376 3.598 20 5 GHBDRM O=C([O-])c1cc(Nc2cnc3c(Br)cccc3n2)cc([N+](=O)[O-])c1 ZINC001176678713 908206728 /nfs/dbraw/zinc/20/67/28/908206728.db2.gz YVVMBDWUTRPENI-UHFFFAOYSA-N -1 0 389.165 3.742 20 5 GHBDRM O=C(Nc1ccc(Cl)c(NC(=O)C2CC2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001178387446 909026049 /nfs/dbraw/zinc/02/60/49/909026049.db2.gz GCUBPMMAMXDPCT-UHFFFAOYSA-N -1 0 375.768 3.555 20 5 GHBDRM O=C([O-])c1c(F)cccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000739486089 909486985 /nfs/dbraw/zinc/48/69/85/909486985.db2.gz VAYCJAWCYKZCPB-UHFFFAOYSA-N -1 0 387.348 3.808 20 5 GHBDRM CCC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1 ZINC000795338484 909995103 /nfs/dbraw/zinc/99/51/03/909995103.db2.gz BOSQZNAKSGCCFD-UHFFFAOYSA-N -1 0 386.788 3.781 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000269167268 910168174 /nfs/dbraw/zinc/16/81/74/910168174.db2.gz GDKKYSBTIHOODG-GOSISDBHSA-N -1 0 390.823 3.540 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])onc1C1CCCCC1 ZINC000290967739 914890459 /nfs/dbraw/zinc/89/04/59/914890459.db2.gz PLOPIHSFEPXXFI-UHFFFAOYSA-N -1 0 383.401 3.879 20 5 GHBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2nc3ccc([N+](=O)[O-])cc3s2)c(C)c1 ZINC000005681282 915704877 /nfs/dbraw/zinc/70/48/77/915704877.db2.gz WYAQMJUJFMRKNH-UHFFFAOYSA-N -1 0 377.447 3.931 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1c1ccccc1 ZINC001190349008 917277822 /nfs/dbraw/zinc/27/78/22/917277822.db2.gz ZZDMSNAZTKNMJA-CVEARBPZSA-N -1 0 392.452 3.986 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC001191977640 918349863 /nfs/dbraw/zinc/34/98/63/918349863.db2.gz VOKSSOGUCLINAE-MRVPVSSYSA-N -1 0 387.672 3.501 20 5 GHBDRM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000119054031 919601568 /nfs/dbraw/zinc/60/15/68/919601568.db2.gz AGNYJSMFSPCVQJ-UHFFFAOYSA-N -1 0 383.451 3.504 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000803112824 922706995 /nfs/dbraw/zinc/70/69/95/922706995.db2.gz IWAONFZULQWELI-LBPRGKRZSA-N -1 0 380.322 3.949 20 5 GHBDRM O=C(Nc1cnn(-c2ccccc2F)c1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001137281957 924226177 /nfs/dbraw/zinc/22/61/77/924226177.db2.gz UOMZOLNWWVCRAP-UHFFFAOYSA-N -1 0 376.731 3.531 20 5 GHBDRM CCc1nc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)sc1C ZINC000409512284 924716475 /nfs/dbraw/zinc/71/64/75/924716475.db2.gz SXDCDXZRFSNGPK-UHFFFAOYSA-N -1 0 375.859 3.685 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2cccnc2)ccc1C ZINC000373511074 926209451 /nfs/dbraw/zinc/20/94/51/926209451.db2.gz YXOOQJIOEVXLHQ-UHFFFAOYSA-N -1 0 399.428 3.775 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccnc2OC(C)C)cc1[N+](=O)[O-] ZINC000753065234 929188174 /nfs/dbraw/zinc/18/81/74/929188174.db2.gz CASQGSLYUXMNNZ-UHFFFAOYSA-N -1 0 385.829 3.540 20 5 GHBDRM CCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)c2ccccc12 ZINC000467774722 929398264 /nfs/dbraw/zinc/39/82/64/929398264.db2.gz WYHWJTGBGUTDOF-UHFFFAOYSA-N -1 0 388.401 3.653 20 5 GHBDRM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(OC)c3)ccc21 ZINC000469158403 929639193 /nfs/dbraw/zinc/63/91/93/929639193.db2.gz ZURIPRDNKVFOPX-UHFFFAOYSA-N -1 0 389.433 3.769 20 5 GHBDRM C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469564370 929993075 /nfs/dbraw/zinc/99/30/75/929993075.db2.gz XSRSTOKLYJAFLW-JTQLQIEISA-N -1 0 384.310 3.517 20 5 GHBDRM O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469628347 930042674 /nfs/dbraw/zinc/04/26/74/930042674.db2.gz WDLSDIBCAZFTHG-UHFFFAOYSA-N -1 0 398.419 3.961 20 5 GHBDRM O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469652469 930058002 /nfs/dbraw/zinc/05/80/02/930058002.db2.gz QERGRLQFWAHOPA-UHFFFAOYSA-N -1 0 383.385 3.611 20 5 GHBDRM Cc1nc2cc([N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])ccc2s1 ZINC000781119947 930707191 /nfs/dbraw/zinc/70/71/91/930707191.db2.gz FLOZMSTWXWNCHY-UHFFFAOYSA-N -1 0 377.447 3.931 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)n2)c1 ZINC000783607736 931594964 /nfs/dbraw/zinc/59/49/64/931594964.db2.gz VMKLJBPEPSXNEX-UHFFFAOYSA-N -1 0 376.221 3.714 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)nn1[C@H](C)C1CC1 ZINC000783848048 931689076 /nfs/dbraw/zinc/68/90/76/931689076.db2.gz CEERWNWHZUVOLM-LLVKDONJSA-N -1 0 398.872 3.833 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C)c1Cl ZINC000799553376 933036339 /nfs/dbraw/zinc/03/63/39/933036339.db2.gz LVPOVCKSFPUMAA-UHFFFAOYSA-N -1 0 385.785 3.574 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC(Cc2ccccc2C(F)(F)F)C1 ZINC001116512246 933602977 /nfs/dbraw/zinc/60/29/77/933602977.db2.gz XIVHNQBTCYHEEX-UHFFFAOYSA-N -1 0 380.322 3.634 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ncccc2OC(C)C)cc1[N+](=O)[O-] ZINC001116740413 933730418 /nfs/dbraw/zinc/73/04/18/933730418.db2.gz APVSZRFEUSGGGC-UHFFFAOYSA-N -1 0 385.829 3.540 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]Cc2cccc(C(F)F)c2)c1 ZINC001117108652 933856885 /nfs/dbraw/zinc/85/68/85/933856885.db2.gz BLLVRZHLFOONEE-UHFFFAOYSA-N -1 0 394.758 3.803 20 5 GHBDRM Cc1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cnc1Br ZINC001137826679 935810091 /nfs/dbraw/zinc/81/00/91/935810091.db2.gz MYYZFSVXGYBUTR-UHFFFAOYSA-N -1 0 386.589 3.672 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001137956669 935891115 /nfs/dbraw/zinc/89/11/15/935891115.db2.gz ARWQNZQSOLDHJZ-UHFFFAOYSA-N -1 0 391.767 3.667 20 5 GHBDRM C[C@](NC(=O)c1ccc(OC2CCCC2)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600880352 939806816 /nfs/dbraw/zinc/80/68/16/939806816.db2.gz ZGVKENMGXYNQPB-OAQYLSRUSA-N -1 0 398.415 3.646 20 5 GHBDRM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 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/nfs/dbraw/zinc/72/02/47/976720247.db2.gz PRMJGBOVMZBJAI-RYUDHWBXSA-N -1 0 375.406 3.615 20 5 GHBDRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC001592298354 977646913 /nfs/dbraw/zinc/64/69/13/977646913.db2.gz SCDZJACAHMIOJI-QGZVFWFLSA-N -1 0 395.774 3.899 20 5 GHBDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)c1ccncc1 ZINC001592299138 977650305 /nfs/dbraw/zinc/65/03/05/977650305.db2.gz ZLMYAZZSETVDTA-FQEVSTJZSA-N -1 0 394.387 3.655 20 5 GHBDRM C[C@H](CN(C)C(=O)OC(C)(C)C)Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001592575673 978480619 /nfs/dbraw/zinc/48/06/19/978480619.db2.gz NXVWVMLIDJGTNG-SECBINFHSA-N -1 0 387.820 3.614 20 5 GHBDRM C[C@H](CN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001592606196 978553949 /nfs/dbraw/zinc/55/39/49/978553949.db2.gz WERVYLHDIMKABX-GFCCVEGCSA-N -1 0 376.796 3.611 20 5 GHBDRM CC[C@@](CNc1ncc([N+](=O)[O-])cc1Br)(C(=O)[O-])c1ccccc1 ZINC001595175963 979762345 /nfs/dbraw/zinc/76/23/45/979762345.db2.gz JWRJZJJEOKAQNX-INIZCTEOSA-N -1 0 394.225 3.597 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001595212602 980001075 /nfs/dbraw/zinc/00/10/75/980001075.db2.gz OSUHPPXTJGQQDC-XGXHKWSGSA-N -1 0 388.464 3.655 20 5 GHBDRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595354870 980696870 /nfs/dbraw/zinc/69/68/70/980696870.db2.gz HBZCRKFVNZRRJB-YLVFBTJISA-N -1 0 378.425 3.914 20 5 GHBDRM CC[C@]1(C)Oc2ccc(NCc3ccc(OCC(=O)[O-])c([N+](=O)[O-])c3)cc2O1 ZINC001595372432 980862430 /nfs/dbraw/zinc/86/24/30/980862430.db2.gz IAGXVYVWDVQNSY-LJQANCHMSA-N -1 0 388.376 3.568 20 5 GHBDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC001594781690 981788312 /nfs/dbraw/zinc/78/83/12/981788312.db2.gz MBJLOWGPIQMENP-XIKOKIGWSA-N -1 0 380.466 3.567 20 5 GHBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(=O)[O-])nc1 ZINC001595792308 982592529 /nfs/dbraw/zinc/59/25/29/982592529.db2.gz SCWLZJPBCJKLAX-UHFFFAOYSA-N -1 0 389.433 3.510 20 5 GHBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(C(=O)[O-])c1 ZINC001595792225 982592672 /nfs/dbraw/zinc/59/26/72/982592672.db2.gz PMWZCGHMDKNHIX-UHFFFAOYSA-N -1 0 389.433 3.510 20 5 GHBDRM CCCN(CCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001595882677 982897172 /nfs/dbraw/zinc/89/71/72/982897172.db2.gz LBCJNWRDUZJZSQ-CLFYSBASSA-N -1 0 393.440 3.752 20 5 GHBDRM CCN(Cc1occc1C)C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001596380299 983900338 /nfs/dbraw/zinc/90/03/38/983900338.db2.gz APWCEXCJKOMCDO-UHFFFAOYSA-N -1 0 392.433 3.725 20 5 GHBDRM CCNc1ccc(C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)cc1[N+](=O)[O-] ZINC001596501483 984255965 /nfs/dbraw/zinc/25/59/65/984255965.db2.gz WOUZHKDCZHFBDC-LRTDBIEQSA-N -1 0 397.431 3.634 20 5 GHBDRM Cc1c(Br)cc(C(=O)Oc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001599970491 985998033 /nfs/dbraw/zinc/99/80/33/985998033.db2.gz KOXAPXSYZIXXNQ-UHFFFAOYSA-N -1 0 380.150 3.583 20 5 GHBDRM Cc1c(Br)cccc1CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599972664 986034123 /nfs/dbraw/zinc/03/41/23/986034123.db2.gz WNFVNSJRDDHKSQ-UHFFFAOYSA-N -1 0 393.193 3.545 20 5 GHBDRM CCOc1cc(C(=O)Oc2ccc(Cl)cc2C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC001597028796 986439911 /nfs/dbraw/zinc/43/99/11/986439911.db2.gz PRQOUIQCRSTXAQ-UHFFFAOYSA-N -1 0 395.751 3.573 20 5 GHBDRM CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC001597059406 986542905 /nfs/dbraw/zinc/54/29/05/986542905.db2.gz ATSDOOPGZQEZLZ-LJQANCHMSA-N -1 0 394.383 3.702 20 5 GHBDRM CCOc1ccc(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001597061460 986547852 /nfs/dbraw/zinc/54/78/52/986547852.db2.gz BCXZJGHKZMXVRH-UHFFFAOYSA-N -1 0 382.731 3.737 20 5 GHBDRM C[C@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1F ZINC001589439662 986777040 /nfs/dbraw/zinc/77/70/40/986777040.db2.gz ZKLNMKFCGYTVDF-LBPRGKRZSA-N -1 0 390.367 3.720 20 5 GHBDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC001589458753 986905152 /nfs/dbraw/zinc/90/51/52/986905152.db2.gz RNYKTYFOUXAYEP-ZUZCIYMTSA-N -1 0 377.784 3.832 20 5 GHBDRM C[C@H](C(=O)O[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589539350 987235282 /nfs/dbraw/zinc/23/52/82/987235282.db2.gz CUHKOJCPYUMVQZ-ZBEGNZNMSA-N -1 0 377.780 3.591 20 5 GHBDRM CN(C(=O)COc1cc(Cl)c(Cl)cc1[N+](=O)[O-])c1ccccc1C(=O)[O-] ZINC001598031474 990250357 /nfs/dbraw/zinc/25/03/57/990250357.db2.gz KALPEOWJVIPDKB-UHFFFAOYSA-N -1 0 399.186 3.642 20 5 GHBDRM COc1ccccc1C[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C(=O)[O-] ZINC001599706740 991304771 /nfs/dbraw/zinc/30/47/71/991304771.db2.gz FCNUOLKOLPOQFO-GFCCVEGCSA-N -1 0 396.346 3.560 20 5 GHBDRM C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593155238 993965346 /nfs/dbraw/zinc/96/53/46/993965346.db2.gz KDSKWUQVUFSJBT-BLLLJJGKSA-N -1 0 398.440 3.871 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001599622401 994102408 /nfs/dbraw/zinc/10/24/08/994102408.db2.gz KLUOCMIVVKWYEN-OAHLLOKOSA-N -1 0 385.203 3.826 20 5 GHBDRM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC001593194368 994134306 /nfs/dbraw/zinc/13/43/06/994134306.db2.gz FZOGEFPBIMSPEG-ZUZCIYMTSA-N -1 0 379.210 3.834 20 5 GHBDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001599643674 994393466 /nfs/dbraw/zinc/39/34/66/994393466.db2.gz KVLKCDCVYBJJME-UHFFFAOYSA-N -1 0 386.404 3.876 20 5 GHBDRM C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001593359551 995018515 /nfs/dbraw/zinc/01/85/15/995018515.db2.gz IODHMIBXWLXEFB-JTQLQIEISA-N -1 0 395.209 3.994 20 5 GHBDRM C[C@@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1cc(C(=O)[O-])co1 ZINC001593552930 995632640 /nfs/dbraw/zinc/63/26/40/995632640.db2.gz IQTRMLFFVKHYCN-SSDOTTSWSA-N -1 0 384.138 3.567 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001593668015 996061013 /nfs/dbraw/zinc/06/10/13/996061013.db2.gz WDIRNSUDLAPMEB-SNVBAGLBSA-N -1 0 385.401 3.894 20 5 GHBDRM COC(=O)/C=C\c1ccc(OC)c(Oc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001598835269 996478438 /nfs/dbraw/zinc/47/84/38/996478438.db2.gz VZSBKMDZRDBPMS-OZDSWYPASA-N -1 0 399.355 3.680 20 5 GHBDRM CC1(C)CC[C@@H](CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2ccccc21 ZINC001593877978 996702547 /nfs/dbraw/zinc/70/25/47/996702547.db2.gz LFUAASIEIIXTHW-ZDUSSCGKSA-N -1 0 382.416 3.878 20 5 GHBDRM CC1(C)CCCc2sc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)nc21 ZINC001593911118 996800404 /nfs/dbraw/zinc/80/04/04/996800404.db2.gz XJHXQGYKTDDLQX-UHFFFAOYSA-N -1 0 375.406 3.616 20 5 GHBDRM COc1cc(C(=O)[O-])ccc1OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC001599380132 996821502 /nfs/dbraw/zinc/82/15/02/996821502.db2.gz XGDNPJNCRHORNZ-UHFFFAOYSA-N -1 0 382.166 3.643 20 5 GHBDRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)CC2 ZINC001599497391 997043280 /nfs/dbraw/zinc/04/32/80/997043280.db2.gz HWYGYEMPAPVDQX-UHFFFAOYSA-N -1 0 398.415 3.624 20 5 GHBDRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001599542042 997860233 /nfs/dbraw/zinc/86/02/33/997860233.db2.gz HWWBAKFSDUJGGS-WMZJFQQLSA-N -1 0 397.383 3.729 20 5 GHBDRM C[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC001594431360 999605209 /nfs/dbraw/zinc/60/52/09/999605209.db2.gz ASAQERMZOGIPEU-MFKMUULPSA-N -1 0 398.843 3.751 20 5 GHBDRM C[C@H]1CCc2c(sc(NC(=O)COc3ccsc3[N+](=O)[O-])c2C(=O)[O-])C1 ZINC001594443655 999631455 /nfs/dbraw/zinc/63/14/55/999631455.db2.gz HFQXILPWFVPGPV-QMMMGPOBSA-N -1 0 396.446 3.558 20 5 GHBDRM Cc1ccc2ncc([O-])c(C(=O)n3c4ccccc4cc4c(=O)c(N)ccc3-4)c2c1 ZINC001154532767 1032168718 /nfs/dbraw/zinc/16/87/18/1032168718.db2.gz VMLMHJVRZBRCNT-UHFFFAOYSA-N -1 0 395.418 3.939 20 5 GHBDRM O=[N+]([O-])c1nc(Br)ccc1OC(=C([O-])c1ccco1)c1ccco1 ZINC001227256492 1032345255 /nfs/dbraw/zinc/34/52/55/1032345255.db2.gz IVUUNUKSHAEZES-CQSZACIVSA-N -1 0 393.149 3.941 20 5 GHBDRM CSc1nc(O[C@@H](c2ccc(C)cc2)C(F)(F)F)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227624832 1032490009 /nfs/dbraw/zinc/49/00/09/1032490009.db2.gz GCTVDNCQGGUIMJ-JTQLQIEISA-N -1 0 375.328 3.803 20 5 GHBDRM O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@@H]2CC[C@@H](OCc3ccccc3)C2)[n-]1 ZINC001228243747 1032860944 /nfs/dbraw/zinc/86/09/44/1032860944.db2.gz BIMMYIFIURWWFS-HZPDHXFCSA-N -1 0 381.388 3.760 20 5 GHBDRM CC(C)Oc1ccc(COc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])cc1Cl ZINC001228610280 1033005599 /nfs/dbraw/zinc/00/55/99/1033005599.db2.gz SRDBPXYMIXFQCS-UHFFFAOYSA-N -1 0 379.800 3.987 20 5 GHBDRM CC(C)(C)OC(=O)N1CCc2c1cccc2NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755473837 1023262975 /nfs/dbraw/zinc/26/29/75/1023262975.db2.gz CBIIOFDEPZRPKP-UHFFFAOYSA-N -1 0 399.403 3.850 20 5 GHBDRM O=C(NCCOc1ccc(F)c(Cl)c1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001141119419 1023541269 /nfs/dbraw/zinc/54/12/69/1023541269.db2.gz YMQLSGDCZUGYLM-UHFFFAOYSA-N -1 0 389.166 3.555 20 5 GHBDRM CC[C@@H](C)OC(=O)N1CCCC[C@H]1CCOc1cc(O)cc([O-])c1[N+](=O)[O-] ZINC001228972506 1033209671 /nfs/dbraw/zinc/20/96/71/1033209671.db2.gz XCOLWSWDMLQHTR-OLZOCXBDSA-N -1 0 382.413 3.565 20 5 GHBDRM COc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(I)c1 ZINC001210398765 1027490102 /nfs/dbraw/zinc/49/01/02/1027490102.db2.gz PCVDWHSPBKOTRG-UHFFFAOYSA-N -1 0 386.145 3.657 20 5 GHBDRM COC(=O)c1cc(F)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c(Br)c1 ZINC001210400907 1027490354 /nfs/dbraw/zinc/49/03/54/1027490354.db2.gz NLCABHOMBMOLFS-UHFFFAOYSA-N -1 0 385.145 3.732 20 5 GHBDRM COC(=O)c1cc(Br)cc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1OC ZINC001210399820 1027490594 /nfs/dbraw/zinc/49/05/94/1027490594.db2.gz WDFNNFKRKWAVSB-UHFFFAOYSA-N -1 0 397.181 3.602 20 5 GHBDRM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001210632060 1027582692 /nfs/dbraw/zinc/58/26/92/1027582692.db2.gz ONHCNGIUEZFDEC-CMPLNLGQSA-N -1 0 399.321 3.854 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](CC2CCC2)c2ccccc2)ccc1[O-] ZINC001211363604 1027921650 /nfs/dbraw/zinc/92/16/50/1027921650.db2.gz OJYDAUJPVICNGL-INIZCTEOSA-N -1 0 376.434 3.510 20 5 GHBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)C1CCCCC1 ZINC001213395912 1028162643 /nfs/dbraw/zinc/16/26/43/1028162643.db2.gz RSUREIIGQVTFNH-KRWDZBQOSA-N -1 0 393.440 3.729 20 5 GHBDRM C[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)CC(F)(F)F ZINC000841563858 1028733065 /nfs/dbraw/zinc/73/30/65/1028733065.db2.gz WTBIZBYEDOWKLO-ZCFIWIBFSA-N -1 0 395.186 3.768 20 5 GHBDRM COc1cc(-c2nc(-c3ccc4c(c3)C(=O)CCC4)no2)cc([N+](=O)[O-])c1[O-] ZINC001216837118 1029955086 /nfs/dbraw/zinc/95/50/86/1029955086.db2.gz MOVWSMBNTRIWNY-UHFFFAOYSA-N -1 0 381.344 3.545 20 5 GHBDRM COc1ccc(Cl)c(-c2noc(-c3cc(OC)c([O-])c([N+](=O)[O-])c3)n2)c1 ZINC001216837466 1029955522 /nfs/dbraw/zinc/95/55/22/1029955522.db2.gz XYKAQOLTSJSDNY-UHFFFAOYSA-N -1 0 377.740 3.688 20 5 GHBDRM CCOc1ccc(-c2noc(-c3cc(OC)c([O-])c([N+](=O)[O-])c3)n2)c(F)c1F ZINC001216836952 1029955594 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HYYMHCYWVWCKPK-RXMQYKEDSA-N -1 0 375.230 3.726 20 5 GHBDRM O=C(Nc1cc(F)c([O-])cc1Cl)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001157899455 1033815394 /nfs/dbraw/zinc/81/53/94/1033815394.db2.gz IVGCHFPJCBYESR-UHFFFAOYSA-N -1 0 382.731 3.507 20 5 GHBDRM COc1c([O-])cc2oc(-c3ccccc3)cc(=O)c2c1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001230088288 1033892510 /nfs/dbraw/zinc/89/25/10/1033892510.db2.gz FCQYYMZPUMRSNM-GOSISDBHSA-N -1 0 397.383 3.608 20 5 GHBDRM COc1ccc([C@H](Oc2[n-]c(=O)nc(Cl)c2[N+](=O)[O-])c2ccccc2)cc1 ZINC001231075319 1034380638 /nfs/dbraw/zinc/38/06/38/1034380638.db2.gz CCFWFLYFAFDUDV-OAHLLOKOSA-N -1 0 387.779 3.921 20 5 GHBDRM O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2Cc3cccc(Br)c3C2)cc1[O-] ZINC001231223700 1034470655 /nfs/dbraw/zinc/47/06/55/1034470655.db2.gz IYSILKDYGSITJV-VIFPVBQESA-N -1 0 395.165 3.517 20 5 GHBDRM CC(=O)[N-]S(=O)(=O)c1ccc(-c2c3ccccc3cc3ccccc32)nc1 ZINC001241380815 1035570812 /nfs/dbraw/zinc/57/08/12/1035570812.db2.gz WCRWJYBGCMJAKN-UHFFFAOYSA-N -1 0 376.437 3.880 20 5 GHBDRM O=[N+]([O-])c1ccccc1C=C([O-])c1nc(-c2cccc(OC(F)F)c2)no1 ZINC001248979187 1036259654 /nfs/dbraw/zinc/25/96/54/1036259654.db2.gz ZWTOSCPPOGPQSP-UHFFFAOYSA-N -1 0 375.287 3.672 20 5 GHBDRM O=[N+]([O-])c1cc(Cc2nc(-c3cc(F)cc(Br)c3)no2)ccc1[O-] ZINC001247988949 1038527649 /nfs/dbraw/zinc/52/76/49/1038527649.db2.gz OJBXSLGDDGGHMH-UHFFFAOYSA-N -1 0 394.156 3.843 20 5 GHBDRM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1ccc(CC(=O)c2ccc(O)cc2)cc1 ZINC001233942447 1039716816 /nfs/dbraw/zinc/71/68/16/1039716816.db2.gz XPUKQFCAAPSXQI-CQSZACIVSA-N -1 0 395.415 3.698 20 5 GHBDRM COc1c(O)ccc2c(=O)c3c(O[C@H]4CCC(=O)CC4(C)C)cc(O)cc3oc21 ZINC001234748826 1040275460 /nfs/dbraw/zinc/27/54/60/1040275460.db2.gz LSIRDSGHGWCIEN-KRWDZBQOSA-N -1 0 398.411 3.893 20 5 GHBDRM O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1cc(F)c([O-])c(F)c1 ZINC001255118436 1040806202 /nfs/dbraw/zinc/80/62/02/1040806202.db2.gz RFUFPBBACYBXBC-UHFFFAOYSA-N -1 0 388.120 3.698 20 5 GHBDRM O=C(C[C@@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC001294351444 1044589032 /nfs/dbraw/zinc/58/90/32/1044589032.db2.gz FCUKGGNNQVEENK-KRWDZBQOSA-N -1 0 382.416 3.958 20 5 GHBDRM Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)Nc2ccc(Cl)cc2O)c1 ZINC001295971472 1045202846 /nfs/dbraw/zinc/20/28/46/1045202846.db2.gz DLEWAXACAQNPFV-UHFFFAOYSA-N -1 0 386.795 3.759 20 5 GHBDRM O=C(Nc1cc(-c2ccc(Br)o2)no1)c1cccc([N+](=O)[O-])c1[O-] ZINC001306739069 1048856443 /nfs/dbraw/zinc/85/64/43/1048856443.db2.gz MVPJUEXBTHHLRN-UHFFFAOYSA-N -1 0 394.137 3.563 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC001309355736 1050628823 /nfs/dbraw/zinc/62/88/23/1050628823.db2.gz AFPVALZBAVPLTE-GFCCVEGCSA-N -1 0 386.367 3.688 20 5 GHBDRM COc1cc(CNc2cc(C)c(Br)c(C)n2)cc([N+](=O)[O-])c1[O-] ZINC001325114215 1057277132 /nfs/dbraw/zinc/27/71/32/1057277132.db2.gz QJICSAOKIAGECO-UHFFFAOYSA-N -1 0 382.214 3.695 20 5 GHBDRM O=C(NCCOCc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1[O-] ZINC001447022926 1059919967 /nfs/dbraw/zinc/91/99/67/1059919967.db2.gz DYTCMEMVSSKRRI-UHFFFAOYSA-N -1 0 385.203 3.554 20 5 GHBDRM O=C(Cn1c2ccccc2nc1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001447260898 1059941623 /nfs/dbraw/zinc/94/16/23/1059941623.db2.gz GVBPXCMUPQWZLN-UHFFFAOYSA-N -1 0 388.383 3.956 20 5 GHBDRM O=C(Nc1ccc2c(c1)N(CC(F)F)CCS2)c1cc([N+](=O)[O-])ccc1[O-] ZINC001449395842 1060395399 /nfs/dbraw/zinc/39/53/99/1060395399.db2.gz GJTPBULJKJBWNU-UHFFFAOYSA-N -1 0 395.387 3.730 20 5 GHBDRM O=C(N[C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC001452146964 1060905735 /nfs/dbraw/zinc/90/57/35/1060905735.db2.gz DCGMNWLPPMPIFN-OAHLLOKOSA-N -1 0 397.284 3.954 20 5 GHBDRM C[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1nn(C)cc1[O-] ZINC001456792119 1062858160 /nfs/dbraw/zinc/85/81/60/1062858160.db2.gz LULWXBGHBQFBKF-GFCCVEGCSA-N -1 0 398.444 3.676 20 5 GHBDRM O=C(NCC1(c2cccc(Br)c2)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001465246798 1065494733 /nfs/dbraw/zinc/49/47/33/1065494733.db2.gz UHXFAWWOBUZQAA-UHFFFAOYSA-N -1 0 391.221 3.525 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(Br)cnc1C1CC1 ZINC001466628501 1066221254 /nfs/dbraw/zinc/22/12/54/1066221254.db2.gz CPKQIDQOYGNIKJ-UHFFFAOYSA-N -1 0 378.182 3.588 20 5 GHBDRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001467350902 1067243383 /nfs/dbraw/zinc/24/33/83/1067243383.db2.gz AVPXIUHUPICANY-UHFFFAOYSA-N -1 0 382.731 3.507 20 5 GHBDRM CC(C)(C)OC(=O)[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])Cc2ccccc21 ZINC001460412761 1068956424 /nfs/dbraw/zinc/95/64/24/1068956424.db2.gz BKPWWSQGBCPXMU-SFHVURJKSA-N -1 0 384.432 3.742 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000262586787 599702582 /nfs/dbraw/zinc/70/25/82/599702582.db2.gz GXGHAWHHAIUMLC-UHFFFAOYSA-N -1 0 386.379 3.527 20 5 GHBDRM O=C([O-])CSCc1cccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000485820341 599951323 /nfs/dbraw/zinc/95/13/23/599951323.db2.gz YTHIYMSTHGFXMZ-UHFFFAOYSA-N -1 0 385.401 3.646 20 5 GHBDRM COc1ccc(C[C@@H](C)Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000737984406 600008538 /nfs/dbraw/zinc/00/85/38/600008538.db2.gz KMJSYWAEVUBCJZ-YSKGHYERSA-N -1 0 386.404 3.753 20 5 GHBDRM O=C([O-])C1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000255187649 600050286 /nfs/dbraw/zinc/05/02/86/600050286.db2.gz FVSSBTONOJWDDW-UHFFFAOYSA-N -1 0 397.431 3.580 20 5 GHBDRM C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000237493430 600148696 /nfs/dbraw/zinc/14/86/96/600148696.db2.gz PYFCIHPAPZFGSV-LLVKDONJSA-N -1 0 397.412 3.908 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2cccc(Oc3ccncc3)c2)cc([N+](=O)[O-])c1 ZINC000740089405 600190511 /nfs/dbraw/zinc/19/05/11/600190511.db2.gz SXZRKNBYSONKKR-UHFFFAOYSA-N -1 0 379.328 3.733 20 5 GHBDRM COc1cc(C2(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CCC2)ccc1C ZINC000737873371 600192204 /nfs/dbraw/zinc/19/22/04/600192204.db2.gz RJWKLGIQFXPVRI-UHFFFAOYSA-N -1 0 384.388 3.670 20 5 GHBDRM O=C([O-])c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(OC(F)F)c1 ZINC000740157198 600277388 /nfs/dbraw/zinc/27/73/88/600277388.db2.gz UJKKMLGKORVDDB-UHFFFAOYSA-N -1 0 386.694 3.800 20 5 GHBDRM O=C([O-])[C@@H]1CC12CCN(c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000739536360 600284090 /nfs/dbraw/zinc/28/40/90/600284090.db2.gz IXNXUZLNDMHUMC-VIFPVBQESA-N -1 0 378.734 3.958 20 5 GHBDRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000736294702 600450493 /nfs/dbraw/zinc/45/04/93/600450493.db2.gz OJOIZYZTNUZOAS-UHFFFAOYSA-N -1 0 393.377 3.813 20 5 GHBDRM O=C([O-])Nc1ccc(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000740022480 600454414 /nfs/dbraw/zinc/45/44/14/600454414.db2.gz CMUOBYSVFSIVOK-UHFFFAOYSA-N -1 0 378.772 3.702 20 5 GHBDRM CN(C(=O)c1cc2ccccc2c2cccnc12)c1nc(CC(=O)[O-])cs1 ZINC000737337044 600468732 /nfs/dbraw/zinc/46/87/32/600468732.db2.gz TUGAYAIJZJOSLE-UHFFFAOYSA-N -1 0 377.425 3.748 20 5 GHBDRM O=C([O-])[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)Cc1cccc2ccccc21 ZINC000739402888 600600151 /nfs/dbraw/zinc/60/01/51/600600151.db2.gz LYSRJPNEEZHNJG-INIZCTEOSA-N -1 0 396.374 3.560 20 5 GHBDRM Cc1cc(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000486382215 600602776 /nfs/dbraw/zinc/60/27/76/600602776.db2.gz PCIPXYHCHUCVIH-GOSISDBHSA-N -1 0 392.411 3.730 20 5 GHBDRM O=C([O-])/C=C\c1ccc(N[C@@H](Cn2cccn2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000739624390 600791922 /nfs/dbraw/zinc/79/19/22/600791922.db2.gz ITQJYOQGULTJHJ-IZTUGPKFSA-N -1 0 378.388 3.743 20 5 GHBDRM O=C([O-])CCCOc1ccc(Nc2ncc([N+](=O)[O-])cc2Br)cc1 ZINC000833227618 601225724 /nfs/dbraw/zinc/22/57/24/601225724.db2.gz OQTSRDRVTCMTHG-UHFFFAOYSA-N -1 0 396.197 3.740 20 5 GHBDRM O=C([O-])c1cc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)ccn1 ZINC000833159972 601288306 /nfs/dbraw/zinc/28/83/06/601288306.db2.gz OWNBSYCVPDDRSB-UHFFFAOYSA-N -1 0 379.328 3.733 20 5 GHBDRM O=C([O-])c1cccc(COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)c1 ZINC000833329171 601356823 /nfs/dbraw/zinc/35/68/23/601356823.db2.gz FOVULHJDTAFZID-UHFFFAOYSA-N -1 0 398.140 3.552 20 5 GHBDRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000830379484 601458200 /nfs/dbraw/zinc/45/82/00/601458200.db2.gz YGKMUQMQKQUVMR-JTQLQIEISA-N -1 0 379.390 3.672 20 5 GHBDRM C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cccc(OC(F)(F)F)c1 ZINC000827695213 601543749 /nfs/dbraw/zinc/54/37/49/601543749.db2.gz OXZUGWNYNXLEIF-SECBINFHSA-N -1 0 398.293 3.683 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000832885848 601564719 /nfs/dbraw/zinc/56/47/19/601564719.db2.gz MTFDYEWHHXSQPW-UHFFFAOYSA-N -1 0 392.795 3.889 20 5 GHBDRM O=C([O-])c1cc(C(=O)Nc2cc(CCc3ccccc3)ccn2)cc([N+](=O)[O-])c1 ZINC000833298029 601626210 /nfs/dbraw/zinc/62/62/10/601626210.db2.gz MJSDWXFEULWBJF-UHFFFAOYSA-N -1 0 391.383 3.726 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2c[nH]nc2-c2ccccc2Cl)cc([N+](=O)[O-])c1 ZINC000833299587 601685545 /nfs/dbraw/zinc/68/55/45/601685545.db2.gz BHMNSOLRDYWKNK-UHFFFAOYSA-N -1 0 386.751 3.589 20 5 GHBDRM CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000562355383 601753772 /nfs/dbraw/zinc/75/37/72/601753772.db2.gz LERPNKYTSKJVJO-CQSZACIVSA-N -1 0 394.836 3.992 20 5 GHBDRM Cc1nn(CCOc2ccc(C(=O)[O-])cc2Cl)c2ccc([N+](=O)[O-])cc12 ZINC000833016973 602160746 /nfs/dbraw/zinc/16/07/46/602160746.db2.gz PHMKBNMVKHKLQZ-UHFFFAOYSA-N -1 0 375.768 3.684 20 5 GHBDRM COCCOc1cccc(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000831784888 602251381 /nfs/dbraw/zinc/25/13/81/602251381.db2.gz XSZGKAVSHMTNTP-UHFFFAOYSA-N -1 0 380.784 3.584 20 5 GHBDRM Cc1cc(N[C@H](C)c2cccc(N3CCOC3=O)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896600 602314892 /nfs/dbraw/zinc/31/48/92/602314892.db2.gz DKXGIHHOKPMOPB-GFCCVEGCSA-N -1 0 385.376 3.731 20 5 GHBDRM Cc1cc(N[C@H](C)c2cccc(N3CCCC3=O)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897827 602315383 /nfs/dbraw/zinc/31/53/83/602315383.db2.gz ZPEINPSISNNCTO-CYBMUJFWSA-N -1 0 383.404 3.901 20 5 GHBDRM Cc1cc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832888860 602318040 /nfs/dbraw/zinc/31/80/40/602318040.db2.gz MJDIPQMUNMPFBN-IBGZPJMESA-N -1 0 388.395 3.691 20 5 GHBDRM O=C([O-])N1CCCc2cc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)ccc21 ZINC000740464311 602510293 /nfs/dbraw/zinc/51/02/93/602510293.db2.gz HICAIAIORRBUPA-UHFFFAOYSA-N -1 0 380.360 3.759 20 5 GHBDRM O=C([O-])N1CCC[C@H]1[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000740462168 602581000 /nfs/dbraw/zinc/58/10/00/602581000.db2.gz QIXRFTZGBZFHPV-RISCZKNCSA-N -1 0 396.831 3.635 20 5 GHBDRM COc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2NC(=O)[O-])cc1SC ZINC000739869723 602625604 /nfs/dbraw/zinc/62/56/04/602625604.db2.gz BMYJFEBIPMNVHZ-UHFFFAOYSA-N -1 0 377.378 3.668 20 5 GHBDRM O=C([O-])N(CCCNc1ccc2ncccc2c1[N+](=O)[O-])Cc1cccnc1 ZINC000740489080 602670719 /nfs/dbraw/zinc/67/07/19/602670719.db2.gz LGDXZQWKQRLNKL-UHFFFAOYSA-N -1 0 381.392 3.520 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N(c1ccc(CNC(=O)[O-])cc1C)C1CC1 ZINC000740098863 603297674 /nfs/dbraw/zinc/29/76/74/603297674.db2.gz LCAXPTYZQNSETJ-UHFFFAOYSA-N -1 0 383.404 3.788 20 5 GHBDRM CSc1ccc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000740022912 603431063 /nfs/dbraw/zinc/43/10/63/603431063.db2.gz VHKIEKWAIXBELX-UHFFFAOYSA-N -1 0 387.417 3.852 20 5 GHBDRM Cc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1NC(=O)[O-] ZINC000830199170 603544194 /nfs/dbraw/zinc/54/41/94/603544194.db2.gz UPUJCXFJZHAWPW-QGZVFWFLSA-N -1 0 387.417 3.881 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)cc([N+](=O)[O-])c1 ZINC000439789852 604305290 /nfs/dbraw/zinc/30/52/90/604305290.db2.gz GOBANSYCPRZWGU-UHFFFAOYSA-N -1 0 395.198 3.798 20 5 GHBDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000826089118 604389611 /nfs/dbraw/zinc/38/96/11/604389611.db2.gz IRHDFHMBAZWKJV-KRWDZBQOSA-N -1 0 388.445 3.655 20 5 GHBDRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000825398462 604456495 /nfs/dbraw/zinc/45/64/95/604456495.db2.gz XEOIKMYLXJOKPX-JTQLQIEISA-N -1 0 377.784 3.507 20 5 GHBDRM O=C([O-])[C@H]1Cc2ccccc2CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000833193712 604467891 /nfs/dbraw/zinc/46/78/91/604467891.db2.gz JSIGSBPTFYVDIJ-GOSISDBHSA-N -1 0 395.440 3.730 20 5 GHBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1ccc(C(=O)[O-])cc1F ZINC000833538008 604701148 /nfs/dbraw/zinc/70/11/48/604701148.db2.gz AEJURNDRQJLOBG-VIFPVBQESA-N -1 0 397.742 3.596 20 5 GHBDRM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000263128812 604705407 /nfs/dbraw/zinc/70/54/07/604705407.db2.gz LIANMAXBYGVDHW-IBGZPJMESA-N -1 0 386.429 3.683 20 5 GHBDRM O=C([O-])/C=C\c1ccc(N[C@H]2CCOC3(CCSCC3)C2)c([N+](=O)[O-])c1 ZINC000833197502 604814131 /nfs/dbraw/zinc/81/41/31/604814131.db2.gz QFQWVQKWFXMBNW-XBPVQUQDSA-N -1 0 378.450 3.549 20 5 GHBDRM O=C([O-])CCCNC(=S)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000833228259 604972579 /nfs/dbraw/zinc/97/25/79/604972579.db2.gz 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O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000920332850 882052045 /nfs/dbraw/zinc/05/20/45/882052045.db2.gz HOMKSWKSIOLAFU-UHFFFAOYSA-N -1 0 390.804 3.520 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C2CC2)nn1-c1ccccc1 ZINC000479265590 867457912 /nfs/dbraw/zinc/45/79/12/867457912.db2.gz JUAWSMHVPVWWNT-UHFFFAOYSA-N -1 0 398.444 3.767 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc(COC2CCCC2)cc1 ZINC000523534658 867474227 /nfs/dbraw/zinc/47/42/27/867474227.db2.gz GHCXINRFGFMJGS-UHFFFAOYSA-N -1 0 394.424 3.994 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000534789961 867495591 /nfs/dbraw/zinc/49/55/91/867495591.db2.gz TYLYAWHFNQHJQB-QWHCGFSZSA-N -1 0 377.194 3.805 20 5 GHBDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1Br ZINC000534941817 867802065 /nfs/dbraw/zinc/80/20/65/867802065.db2.gz IPAOGBCZVKCTSK-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(CCc3ccc(OC(F)F)cc3)no2)cc1[O-] ZINC000445227006 868020521 /nfs/dbraw/zinc/02/05/21/868020521.db2.gz FGABTHHKIMVJQA-UHFFFAOYSA-N -1 0 377.303 3.737 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2N2CCCC2)c1C ZINC000480003084 868888779 /nfs/dbraw/zinc/88/87/79/868888779.db2.gz FBSJUVKCSMQOPM-UHFFFAOYSA-N -1 0 375.450 3.613 20 5 GHBDRM COc1cc(Cc2noc(-c3ccc(Cl)cc3[O-])n2)c([N+](=O)[O-])c(OC)c1 ZINC000445818895 869028900 /nfs/dbraw/zinc/02/89/00/869028900.db2.gz NSTJLAPKVHPXPZ-UHFFFAOYSA-N -1 0 391.767 3.612 20 5 GHBDRM O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000021955168 869172962 /nfs/dbraw/zinc/17/29/62/869172962.db2.gz VGKZTSVXGOSVQV-UHFFFAOYSA-N -1 0 388.430 3.697 20 5 GHBDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000446617193 870101190 /nfs/dbraw/zinc/10/11/90/870101190.db2.gz JUMDSKJVPIHHMW-UHFFFAOYSA-N -1 0 388.854 3.780 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(-c2ccco2)nc2ccccn21 ZINC000446726313 870271126 /nfs/dbraw/zinc/27/11/26/870271126.db2.gz LTTLZXRDLAJFOC-UHFFFAOYSA-N 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COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000191551020 882510919 /nfs/dbraw/zinc/51/09/19/882510919.db2.gz LYOMBABWDOCLRN-UHFFFAOYSA-N -1 0 376.843 3.565 20 5 GHBDRM CC1(C)CC[C@H]2C[C@H]([N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])c3cccc1c32 ZINC000540653366 871849167 /nfs/dbraw/zinc/84/91/67/871849167.db2.gz FFTFMCDUBXSTLR-WFASDCNBSA-N -1 0 387.461 3.568 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c2ncccc12 ZINC000463797461 872582889 /nfs/dbraw/zinc/58/28/89/872582889.db2.gz IIUDJLHZZZCKEU-UHFFFAOYSA-N -1 0 381.772 3.736 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)nn1-c1ccccc1 ZINC000552456787 872661369 /nfs/dbraw/zinc/66/13/69/872661369.db2.gz OOVSUDLZNKNGPN-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cn2)cc1 ZINC000768868345 873631076 /nfs/dbraw/zinc/63/10/76/873631076.db2.gz MATNKLHIMPZEPN-UHFFFAOYSA-N -1 0 391.430 3.953 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000541586772 873931703 /nfs/dbraw/zinc/93/17/03/873931703.db2.gz WXAKQABZEJQNRQ-QWHCGFSZSA-N -1 0 377.194 3.805 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000804410544 882802996 /nfs/dbraw/zinc/80/29/96/882802996.db2.gz ZQUCZXCKLZLVDM-OAQYLSRUSA-N -1 0 392.411 3.676 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000921295487 882818431 /nfs/dbraw/zinc/81/84/31/882818431.db2.gz OQKNNZATSQOVGB-UHFFFAOYSA-N -1 0 385.785 3.520 20 5 GHBDRM O=C(Nc1nc2ccc(Br)cc2s1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000776107300 875348278 /nfs/dbraw/zinc/34/82/78/875348278.db2.gz WKFNIIMPNBDZJC-UHFFFAOYSA-N -1 0 394.206 3.925 20 5 GHBDRM CCc1c([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cnn1CCC(C)C ZINC000491682171 875887128 /nfs/dbraw/zinc/88/71/28/875887128.db2.gz XVLJHVAWYLEKCA-UHFFFAOYSA-N -1 0 386.499 3.608 20 5 GHBDRM O=C([O-])CC1(CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000610088332 876638037 /nfs/dbraw/zinc/63/80/37/876638037.db2.gz 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Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)c(C)c2)cc1[N+](=O)[O-] ZINC000565844261 877477158 /nfs/dbraw/zinc/47/71/58/877477158.db2.gz WVVGBIKDTNATIY-QGZVFWFLSA-N -1 0 382.416 3.815 20 5 GHBDRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237951422 878393531 /nfs/dbraw/zinc/39/35/31/878393531.db2.gz PSCQPIAOLVHNEL-UHFFFAOYSA-N -1 0 397.431 3.676 20 5 GHBDRM Cc1c(NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000616169877 878620551 /nfs/dbraw/zinc/62/05/51/878620551.db2.gz VBXBNXXBSZDMIX-UHFFFAOYSA-N -1 0 390.339 3.744 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)c1C ZINC000180161095 878621769 /nfs/dbraw/zinc/62/17/69/878621769.db2.gz DDNRAAGBZQHBMX-UHFFFAOYSA-N -1 0 379.394 3.537 20 5 GHBDRM COc1ccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])cc1OCc1ccncc1 ZINC000538305880 879225678 /nfs/dbraw/zinc/22/56/78/879225678.db2.gz XKJUOFXPENWPDV-UHFFFAOYSA-N -1 0 395.371 3.535 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)c1[N+](=O)[O-] ZINC000790389182 879661260 /nfs/dbraw/zinc/66/12/60/879661260.db2.gz KLAHYNBOPYDMGF-UHFFFAOYSA-N -1 0 378.454 3.714 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2nnc(C3CCCCC3)s2)c1[N+](=O)[O-] ZINC000790640721 879878893 /nfs/dbraw/zinc/87/88/93/879878893.db2.gz XGBVRDZRBSFXEA-UHFFFAOYSA-N -1 0 396.494 3.912 20 5 GHBDRM CC(C)(C)OC(=O)Nc1cccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000855199009 880347481 /nfs/dbraw/zinc/34/74/81/880347481.db2.gz OZBWHKZFAFTMAB-UHFFFAOYSA-N -1 0 387.392 3.577 20 5 GHBDRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])cc2)oc1C ZINC000919958800 881267270 /nfs/dbraw/zinc/26/72/70/881267270.db2.gz JXVFIUHGLNFPQZ-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)ccc1[N+](=O)[O-] ZINC000609661465 883500971 /nfs/dbraw/zinc/50/09/71/883500971.db2.gz NZRRABDXUAFNAE-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cc([N+](=O)[O-])ncc1Br ZINC000805260760 883723985 /nfs/dbraw/zinc/72/39/85/883723985.db2.gz MFWVPODPOAEVKD-UHFFFAOYSA-N -1 0 390.552 3.503 20 5 GHBDRM O=C([O-])c1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000761745043 883977830 /nfs/dbraw/zinc/97/78/30/883977830.db2.gz AQHBWJLIVNHLCT-UHFFFAOYSA-N -1 0 384.772 3.816 20 5 GHBDRM O=C(CCCOc1ccccc1Br)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000542516289 884037795 /nfs/dbraw/zinc/03/77/95/884037795.db2.gz CPNBDZBDVHZASF-UHFFFAOYSA-N -1 0 395.209 3.861 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nccc(-c3ccccc3)n2)ccc1Cl ZINC000130606693 884140638 /nfs/dbraw/zinc/14/06/38/884140638.db2.gz PDBWBUGCTYPUHR-UHFFFAOYSA-N -1 0 390.808 3.506 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)c2cccnc21 ZINC000194707965 884159296 /nfs/dbraw/zinc/15/92/96/884159296.db2.gz FRQYFGGBNSJFQS-UHFFFAOYSA-N -1 0 395.799 3.877 20 5 GHBDRM O=C(NCc1ccc(-n2cnc3ccccc32)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000476158604 884166274 /nfs/dbraw/zinc/16/62/74/884166274.db2.gz RWVMGEQGYZJJMH-UHFFFAOYSA-N -1 0 388.383 3.569 20 5 GHBDRM 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C[C@](CO)(NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC001592750965 979317943 /nfs/dbraw/zinc/31/79/43/979317943.db2.gz QROYVAWDUXDLLN-OAQYLSRUSA-N -1 0 396.399 3.550 20 5 GHBDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001595361738 980765060 /nfs/dbraw/zinc/76/50/60/980765060.db2.gz NNRGHDSXAZGBQE-GOSISDBHSA-N -1 0 395.415 3.614 20 5 GHBDRM CCC1CCC(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)(C(=O)[O-])CC1 ZINC001595420487 981036264 /nfs/dbraw/zinc/03/62/64/981036264.db2.gz OKXDSOOQIHRPHP-ZVLZOBCMSA-N -1 0 380.466 3.615 20 5 GHBDRM CCC1CCC(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])(C(=O)[O-])CC1 ZINC001595424637 981042883 /nfs/dbraw/zinc/04/28/83/981042883.db2.gz HWEBUFWTPOKPIJ-UHFFFAOYSA-N -1 0 388.342 3.767 20 5 GHBDRM CCCCCc1ccc(OS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001595726944 982349006 /nfs/dbraw/zinc/34/90/06/982349006.db2.gz CZRSKWSWIFBSDW-UHFFFAOYSA-N -1 0 393.417 3.793 20 5 GHBDRM 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C[C@@H](NC(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001599839811 988806641 /nfs/dbraw/zinc/80/66/41/988806641.db2.gz WWJNLTKGVRLSBR-GFCCVEGCSA-N -1 0 389.433 3.795 20 5 GHBDRM CC(C)(CC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)CC(=O)c1ccccc1 ZINC001590648911 990335275 /nfs/dbraw/zinc/33/52/75/990335275.db2.gz LKBKJMRKJLTZDW-UHFFFAOYSA-N -1 0 385.372 3.888 20 5 GHBDRM CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-c2nccs2)cc1 ZINC001598079392 990393731 /nfs/dbraw/zinc/39/37/31/990393731.db2.gz PIAGIKXCGOULBG-UHFFFAOYSA-N -1 0 383.385 3.693 20 5 GHBDRM COc1ccccc1C[C@H]1CCC[C@@H]1OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599710904 991368285 /nfs/dbraw/zinc/36/82/85/991368285.db2.gz WHQZUGXXDKQYLY-KUHUBIRLSA-N -1 0 399.399 3.870 20 5 GHBDRM COc1ccc(NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001599595090 993739498 /nfs/dbraw/zinc/73/94/98/993739498.db2.gz DHXGNEAIUJPWSA-MRXNPFEDSA-N -1 0 387.392 3.577 20 5 GHBDRM 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387.392 3.905 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000506720857 850591954 /nfs/dbraw/zinc/59/19/54/850591954.db2.gz YMVQOFPHFKBRQB-INIZCTEOSA-N -1 0 396.321 3.533 20 5 GHBDRM COc1cc(C)c(S(=O)(=O)[N-]c2nc3ccc([N+](=O)[O-])cc3s2)cc1C ZINC000430077056 851525060 /nfs/dbraw/zinc/52/50/60/851525060.db2.gz FZCFPWGSIIEZNE-UHFFFAOYSA-N -1 0 393.446 3.631 20 5 GHBDRM CCCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000436496973 851973177 /nfs/dbraw/zinc/97/31/77/851973177.db2.gz RQJHPWNKDPZQQB-CQSZACIVSA-N -1 0 385.420 3.570 20 5 GHBDRM O=[N+]([O-])c1ccc2[nH]c(CSc3n[n-]c(=Nc4ccccc4)s3)nc2c1 ZINC000473796763 852050282 /nfs/dbraw/zinc/05/02/82/852050282.db2.gz ZGZDXFFJTGMDNC-UHFFFAOYSA-N -1 0 384.446 3.780 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000425950521 852062916 /nfs/dbraw/zinc/06/29/16/852062916.db2.gz MQRNVNJVESUTKE-UHFFFAOYSA-N -1 0 392.433 3.633 20 5 GHBDRM CCc1c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cnn1-c1cccc(Cl)c1 ZINC000436593152 852080590 /nfs/dbraw/zinc/08/05/90/852080590.db2.gz CMOMAPLEJOEBMY-UHFFFAOYSA-N -1 0 386.795 3.954 20 5 GHBDRM O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436814332 852376464 /nfs/dbraw/zinc/37/64/64/852376464.db2.gz KKBUIJLNGWTLHM-UHFFFAOYSA-N -1 0 394.265 3.622 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000436829409 852379431 /nfs/dbraw/zinc/37/94/31/852379431.db2.gz AIZKFDHGONQJSI-GFCCVEGCSA-N -1 0 380.322 3.949 20 5 GHBDRM Cc1ccc([C@@H](CC(=O)[O-])NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000426781727 852387424 /nfs/dbraw/zinc/38/74/24/852387424.db2.gz DBQYVFGWNRHEJI-OAHLLOKOSA-N -1 0 387.417 3.925 20 5 GHBDRM CCCc1c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cnn1-c1ccc(F)cc1 ZINC000436867795 852432639 /nfs/dbraw/zinc/43/26/39/852432639.db2.gz DOOHPTBGEKZPJR-UHFFFAOYSA-N -1 0 384.367 3.830 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N(Cc1cccc(Br)c1)C1CC1 ZINC000436871375 852436323 /nfs/dbraw/zinc/43/63/23/852436323.db2.gz SAYNHNUXXKVKLK-UHFFFAOYSA-N -1 0 391.221 3.868 20 5 GHBDRM Cc1nc2cc(F)cc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])c2nc1C ZINC000436894308 852445282 /nfs/dbraw/zinc/44/52/82/852445282.db2.gz FJDGJPOJEIFDDT-UHFFFAOYSA-N -1 0 390.758 3.905 20 5 GHBDRM COc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1OCC(F)(F)F ZINC000436947741 852530605 /nfs/dbraw/zinc/53/06/05/852530605.db2.gz HJSNAXIVDRBVRG-UHFFFAOYSA-N -1 0 386.282 3.502 20 5 GHBDRM O=C(Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1cccs1 ZINC000436975761 852562427 /nfs/dbraw/zinc/56/24/27/852562427.db2.gz MMZCPCNAFWYAQJ-UHFFFAOYSA-N -1 0 383.385 3.867 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000438783750 852850912 /nfs/dbraw/zinc/85/09/12/852850912.db2.gz FATYMOJXZPQUKC-UHFFFAOYSA-N -1 0 389.216 3.637 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1F ZINC000438802534 852863765 /nfs/dbraw/zinc/86/37/65/852863765.db2.gz PXLDIGKDZCQXAF-UHFFFAOYSA-N -1 0 395.195 3.850 20 5 GHBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(F)c(Br)c1 ZINC000507674930 853169091 /nfs/dbraw/zinc/16/90/91/853169091.db2.gz JQGWKMQMIDSCPB-MRVPVSSYSA-N -1 0 383.173 3.693 20 5 GHBDRM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000481872676 862454747 /nfs/dbraw/zinc/45/47/47/862454747.db2.gz USMAYLPBEWUTBF-UHFFFAOYSA-N -1 0 378.450 3.837 20 5 GHBDRM COc1cc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)cc([N+](=O)[O-])c1C ZINC000590845011 855609805 /nfs/dbraw/zinc/60/98/05/855609805.db2.gz ZAIWKYSONILZGX-UHFFFAOYSA-N -1 0 398.415 3.630 20 5 GHBDRM COc1ccc(COCCCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000542751986 855632237 /nfs/dbraw/zinc/63/22/37/855632237.db2.gz XDKWUMUVWJJZAK-UHFFFAOYSA-N -1 0 394.811 3.898 20 5 GHBDRM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000184773834 855827807 /nfs/dbraw/zinc/82/78/07/855827807.db2.gz LXWOXGXDFMALGV-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2cc(Cl)ccc2s1 ZINC000171152458 855992519 /nfs/dbraw/zinc/99/25/19/855992519.db2.gz PCQXMNXWPRCIBF-UHFFFAOYSA-N -1 0 399.837 3.667 20 5 GHBDRM Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc(Cl)c4ccccc4c3[O-])n2)n1C ZINC000445617393 856154102 /nfs/dbraw/zinc/15/41/02/856154102.db2.gz ZGVONWRPYSUGEK-UHFFFAOYSA-N -1 0 385.767 3.866 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)ccc1[N+](=O)[O-] ZINC000172182919 856364632 /nfs/dbraw/zinc/36/46/32/856364632.db2.gz XWERNVXORRLFOM-UHFFFAOYSA-N -1 0 399.428 3.678 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CC(F)(F)F ZINC000172900849 856651280 /nfs/dbraw/zinc/65/12/80/856651280.db2.gz TUORRWHOPUXJBW-UHFFFAOYSA-N -1 0 390.339 3.509 20 5 GHBDRM Cc1c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(Cl)cc1 ZINC000542932883 856906372 /nfs/dbraw/zinc/90/63/72/856906372.db2.gz ZQSYGGMJBNXSJH-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM CC(C)[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000428040485 857027734 /nfs/dbraw/zinc/02/77/34/857027734.db2.gz KHVOGCNFSUXNBV-INIZCTEOSA-N -1 0 392.795 3.880 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(Cl)cc(F)c2F)c1 ZINC000442226541 857617268 /nfs/dbraw/zinc/61/72/68/857617268.db2.gz AILFXHSUZTZTKC-UHFFFAOYSA-N -1 0 376.768 3.944 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000543019880 857891450 /nfs/dbraw/zinc/89/14/50/857891450.db2.gz SUMKDHADGAUHDJ-INIZCTEOSA-N -1 0 396.321 3.533 20 5 GHBDRM O=C([O-])Cc1ccc(NC[C@H](OC2CCCC2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000594737246 858268728 /nfs/dbraw/zinc/26/87/28/858268728.db2.gz VKXLIWUQPALNAY-AWEZNQCLSA-N -1 0 376.331 3.524 20 5 GHBDRM Cn1c(C2CC2)n[n-]c1=NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000594741776 858280754 /nfs/dbraw/zinc/28/07/54/858280754.db2.gz DMWAZDWXXUFLAE-UHFFFAOYSA-N -1 0 383.383 3.566 20 5 GHBDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000121062692 858427276 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MFBFAXPHFRAMSB-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM Cc1sc(Br)nc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000764645879 859551971 /nfs/dbraw/zinc/55/19/71/859551971.db2.gz AWYZIULEZBJHRH-UHFFFAOYSA-N -1 0 392.618 3.734 20 5 GHBDRM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000597604790 859650478 /nfs/dbraw/zinc/65/04/78/859650478.db2.gz KMLXYYHDQYMWOW-GKKDWNQVSA-N -1 0 396.871 3.746 20 5 GHBDRM Cc1ccc(C)c2sc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])nc21 ZINC000727245491 860012544 /nfs/dbraw/zinc/01/25/44/860012544.db2.gz APCLIXZFQDWIBA-UHFFFAOYSA-N -1 0 381.410 3.761 20 5 GHBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(Br)cc1F ZINC000555111004 860039724 /nfs/dbraw/zinc/03/97/24/860039724.db2.gz CKZYDTCSNNKGCP-QMMMGPOBSA-N -1 0 383.173 3.693 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)cc1 ZINC000026548093 860482333 /nfs/dbraw/zinc/48/23/33/860482333.db2.gz JRYFMWZSVRGVPX-UHFFFAOYSA-N -1 0 385.401 3.928 20 5 GHBDRM 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ZINC000798337641 932604958 /nfs/dbraw/zinc/60/49/58/932604958.db2.gz BQNFKUNSUGIDCQ-UHFFFAOYSA-N -1 0 395.755 3.578 20 5 GHBDRM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000777823478 933628543 /nfs/dbraw/zinc/62/85/43/933628543.db2.gz JQOYELAHFUXRDK-UHFFFAOYSA-N -1 0 394.771 3.693 20 5 GHBDRM CC[C@@H](Sc1ccccc1)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600880442 939806924 /nfs/dbraw/zinc/80/69/24/939806924.db2.gz ZURWFCYKMYBXFW-VQIMIIECSA-N -1 0 388.445 3.582 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001589561295 948813783 /nfs/dbraw/zinc/81/37/83/948813783.db2.gz QKFDSDWNFAIBOY-ZMYBRWDISA-N -1 0 382.416 3.593 20 5 GHBDRM O=C([O-])/C=C\c1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)co1 ZINC001594971080 950852208 /nfs/dbraw/zinc/85/22/08/950852208.db2.gz MXCHFMWTZJCGHV-PLNGDYQASA-N -1 0 385.357 3.661 20 5 GHBDRM O=C([O-])[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001594716066 956927201 /nfs/dbraw/zinc/92/72/01/956927201.db2.gz JOBLEXGBEGBVKO-LBPRGKRZSA-N -1 0 387.150 3.596 20 5 GHBDRM COc1cc([N+](=O)[O-])c(C(=O)Nc2c(C)cccc2C(=O)[O-])cc1SC ZINC001594067429 958148465 /nfs/dbraw/zinc/14/84/65/958148465.db2.gz AFDNZOMANQAFKT-UHFFFAOYSA-N -1 0 376.390 3.584 20 5 GHBDRM CC[C@@H](NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001573931514 961578487 /nfs/dbraw/zinc/57/84/87/961578487.db2.gz YQGJKZXCBVZCQE-KURKYZTESA-N -1 0 383.404 3.658 20 5 GHBDRM CC(C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C(=O)[O-])c1 ZINC001591787831 975965034 /nfs/dbraw/zinc/96/50/34/975965034.db2.gz DIRCVBSEXRBVRX-UHFFFAOYSA-N -1 0 378.768 3.986 20 5 GHBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1COc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001591791115 975980446 /nfs/dbraw/zinc/98/04/46/975980446.db2.gz KGCWSCFVQBHQBX-UHFFFAOYSA-N -1 0 376.321 3.567 20 5 GHBDRM CC(C)c1[nH]c(CNCc2ccc(Br)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001591918684 976385030 /nfs/dbraw/zinc/38/50/30/976385030.db2.gz UJJPLECWURTRKM-UHFFFAOYSA-N -1 0 396.241 3.797 20 5 GHBDRM CC(C)c1sc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C(=O)[O-] ZINC001592111712 976902752 /nfs/dbraw/zinc/90/27/52/976902752.db2.gz LHVAXXQZMSIHRT-NWDGAFQWSA-N -1 0 375.406 3.615 20 5 GHBDRM CC(C)n1cc(Br)cc1C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001592122624 976936851 /nfs/dbraw/zinc/93/68/51/976936851.db2.gz SVHAYKWUFZMOTB-UHFFFAOYSA-N -1 0 397.181 3.657 20 5 GHBDRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001595050534 979278881 /nfs/dbraw/zinc/27/88/81/979278881.db2.gz RVSMXOOHVOAIPB-UHFFFAOYSA-N -1 0 377.319 3.769 20 5 GHBDRM C[C@H](Cc1ccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1)C(=O)[O-] ZINC001592873885 979738100 /nfs/dbraw/zinc/73/81/00/979738100.db2.gz WGDVCZAFXYODHS-LLVKDONJSA-N -1 0 391.811 3.833 20 5 GHBDRM C[C@H](Cc1cncc2ccccc21)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001592908477 979862429 /nfs/dbraw/zinc/86/24/29/979862429.db2.gz ADTADDHCQHTRRY-GFCCVEGCSA-N -1 0 379.372 3.659 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001595213603 980007995 /nfs/dbraw/zinc/00/79/95/980007995.db2.gz WEBKUPMTLRNMDP-CYBMUJFWSA-N -1 0 381.388 3.982 20 5 GHBDRM C[C@@](NC(=O)Cc1ccccc1[N+](=O)[O-])(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593042760 980328250 /nfs/dbraw/zinc/32/82/50/980328250.db2.gz CRYLVQHHWDPLQK-KRWDZBQOSA-N -1 0 397.214 3.560 20 5 GHBDRM CCC1(CC)[C@H](NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)[C@H](C)[C@@H]1OC ZINC001595373106 980869485 /nfs/dbraw/zinc/86/94/85/980869485.db2.gz CJQDGFBUOIEFRV-XZJROXQQSA-N -1 0 393.440 3.563 20 5 GHBDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001594792327 981861047 /nfs/dbraw/zinc/86/10/47/981861047.db2.gz NQXFZMVQIARNIJ-INIZCTEOSA-N -1 0 388.342 3.719 20 5 GHBDRM CCN(Cc1nc2c(s1)C[C@@H](C)CC2)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001596377474 983885435 /nfs/dbraw/zinc/88/54/35/983885435.db2.gz AMWPYFZRCJPEIK-LBPRGKRZSA-N -1 0 389.477 3.830 20 5 GHBDRM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1Br)c1ccccc1[N+](=O)[O-] ZINC001599901066 984826256 /nfs/dbraw/zinc/82/62/56/984826256.db2.gz LCRGLQVSMUGIGF-ZUZCIYMTSA-N -1 0 379.210 3.834 20 5 GHBDRM C[C@H]1CC[C@@](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])(C(=O)[O-])CC1 ZINC001599907132 984938684 /nfs/dbraw/zinc/93/86/84/984938684.db2.gz IFPBCPBPTFLMHV-APXWNHPRSA-N -1 0 375.208 3.665 20 5 GHBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001589000763 984941542 /nfs/dbraw/zinc/94/15/42/984941542.db2.gz DGXCHTACGQDTDC-FMIVXFBMSA-N -1 0 381.344 3.816 20 5 GHBDRM C/C(=C/c1cccc(Cl)c1)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589001184 984943554 /nfs/dbraw/zinc/94/35/54/984943554.db2.gz HQKDPNIGRAOSGX-UZRURVBFSA-N -1 0 388.807 3.768 20 5 GHBDRM CC(=O)N(Cc1ccc(Nc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])cc1)C1CC1 ZINC001589052231 985145518 /nfs/dbraw/zinc/14/55/18/985145518.db2.gz VHHDMKFGZZCZOF-UHFFFAOYSA-N -1 0 383.404 3.856 20 5 GHBDRM Cc1c(Br)cc(C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1[N+](=O)[O-] ZINC001599970959 986005127 /nfs/dbraw/zinc/00/51/27/986005127.db2.gz RNZWCUAMTHEPSO-UHFFFAOYSA-N -1 0 397.156 3.755 20 5 GHBDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1c2ccccc2ncc1[N+](=O)[O-] ZINC001594569847 986385219 /nfs/dbraw/zinc/38/52/19/986385219.db2.gz ROXRNYBSPVBZSD-CQSZACIVSA-N -1 0 392.415 3.556 20 5 GHBDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC001597021973 986416657 /nfs/dbraw/zinc/41/66/57/986416657.db2.gz GOIGKEOWZOGQKA-HNNXBMFYSA-N -1 0 387.392 3.965 20 5 GHBDRM CCOc1ccc(SCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cc1 ZINC001597139716 986881273 /nfs/dbraw/zinc/88/12/73/986881273.db2.gz HEWFVDSZTOEVSQ-UHFFFAOYSA-N -1 0 390.417 3.731 20 5 GHBDRM CSc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)cc1[N+](=O)[O-] ZINC001599809813 988314454 /nfs/dbraw/zinc/31/44/54/988314454.db2.gz SUYGDSJQKBOZMZ-AWEZNQCLSA-N -1 0 380.466 3.718 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001597563502 988315392 /nfs/dbraw/zinc/31/53/92/988315392.db2.gz OSJZUHBFCHZXBR-UHFFFAOYSA-N -1 0 397.387 3.966 20 5 GHBDRM CSc1cccc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC001599823035 988548044 /nfs/dbraw/zinc/54/80/44/988548044.db2.gz UNTFCAMTHKDJDM-CYBMUJFWSA-N -1 0 388.445 3.680 20 5 GHBDRM CSc1cccc(C(=O)OCc2c(F)cc(C(=O)[O-])cc2F)c1[N+](=O)[O-] ZINC001599824429 988572914 /nfs/dbraw/zinc/57/29/14/988572914.db2.gz XDBFDGNFWJEQGT-UHFFFAOYSA-N -1 0 383.328 3.650 20 5 GHBDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001599878555 989452461 /nfs/dbraw/zinc/45/24/61/989452461.db2.gz ZIZRWMWAEDMZDV-UKRRQHHQSA-N -1 0 383.404 3.664 20 5 GHBDRM CC(C)(C)c1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc1C(=O)[O-] ZINC001590544783 990176654 /nfs/dbraw/zinc/17/66/54/990176654.db2.gz JDFVJGWPJCATLI-UHFFFAOYSA-N -1 0 383.813 3.953 20 5 GHBDRM CC(C)(CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001590774348 990577835 /nfs/dbraw/zinc/57/78/35/990577835.db2.gz RZAZEICMHPORIR-XBXARRHUSA-N -1 0 384.388 3.811 20 5 GHBDRM CN(C)C(=O)Sc1ccc(COc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001598144513 990610756 /nfs/dbraw/zinc/61/07/56/990610756.db2.gz GZQITIGAXKPELG-UHFFFAOYSA-N -1 0 376.390 3.646 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccn(-c2ccc(F)cc2F)n1 ZINC000468338250 1015598319 /nfs/dbraw/zinc/59/83/19/1015598319.db2.gz MGWAVYVTAXYCBN-UHFFFAOYSA-N -1 0 394.721 3.670 20 5 GHBDRM CC(C)C(=O)Nc1cccc(-c2noc(-c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)n2)c1 ZINC001590943843 990984200 /nfs/dbraw/zinc/98/42/00/990984200.db2.gz HYGVVMKINUZMTI-UHFFFAOYSA-N -1 0 396.359 3.605 20 5 GHBDRM CN(C)c1cc(F)c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)cc1[N+](=O)[O-] ZINC001598305267 991256973 /nfs/dbraw/zinc/25/69/73/991256973.db2.gz BSIBWWGDQNBOQT-UHFFFAOYSA-N -1 0 399.737 3.543 20 5 GHBDRM CN(Cc1ccco1)c1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001598531972 992792826 /nfs/dbraw/zinc/79/28/26/992792826.db2.gz IDYUJLLYYXQHEV-UHFFFAOYSA-N -1 0 380.356 3.753 20 5 GHBDRM C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001593131817 993885631 /nfs/dbraw/zinc/88/56/31/993885631.db2.gz SLABXNXOEALWMN-DTWKUNHWSA-N -1 0 387.820 3.660 20 5 GHBDRM C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593155245 993965247 /nfs/dbraw/zinc/96/52/47/993965247.db2.gz KDSKWUQVUFSJBT-WBMJQRKESA-N -1 0 398.440 3.871 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001599622448 994102874 /nfs/dbraw/zinc/10/28/74/994102874.db2.gz NIZVABRDVLBNGH-AWEZNQCLSA-N -1 0 399.403 3.543 20 5 GHBDRM COc1ccc2c(CC(=O)Oc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)coc2c1C ZINC001599624908 994134556 /nfs/dbraw/zinc/13/45/56/994134556.db2.gz CVFKSVOXFICWPD-UHFFFAOYSA-N -1 0 385.328 3.504 20 5 GHBDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001599398319 997168645 /nfs/dbraw/zinc/16/86/45/997168645.db2.gz JJWHZRLMKHLALF-CLTKARDFSA-N -1 0 377.736 3.574 20 5 GHBDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001599401488 997222665 /nfs/dbraw/zinc/22/26/65/997222665.db2.gz XMFPUOFZQRFHSD-CLTKARDFSA-N -1 0 377.736 3.574 20 5 GHBDRM COc1ccc([C@H](OC)[C@@H](C)Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001599533588 997702759 /nfs/dbraw/zinc/70/27/59/997702759.db2.gz GVANUMGIDZKKTP-QEZLRSAUSA-N -1 0 386.404 3.889 20 5 GHBDRM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001598956013 998241773 /nfs/dbraw/zinc/24/17/73/998241773.db2.gz YTQNVSVTVHDLNB-LLVKDONJSA-N -1 0 384.816 3.728 20 5 GHBDRM C[C@@H]1CCCN(c2ccc(C(=O)Oc3ccc(CC(=O)[O-])cc3)cc2[N+](=O)[O-])C1 ZINC001594389872 999477712 /nfs/dbraw/zinc/47/77/12/999477712.db2.gz XEWZJOCHFVNJHX-CQSZACIVSA-N -1 0 398.415 3.677 20 5 GHBDRM C[C@@H]1CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c2ccccc2S1 ZINC001594423771 999583460 /nfs/dbraw/zinc/58/34/60/999583460.db2.gz HBUSMMXQWVQCOD-CYBMUJFWSA-N -1 0 388.445 3.949 20 5 GHBDRM CCOc1ccc([C@H](C)Oc2nc(SC)[n-]c(=O)c2[N+](=O)[O-])c(OCC)c1 ZINC001227627482 1032491096 /nfs/dbraw/zinc/49/10/96/1032491096.db2.gz GPRGXVWRCFHQDX-JTQLQIEISA-N -1 0 395.437 3.750 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc([N+](=O)[O-])cc3s2)c(Cl)c1 ZINC000561527259 1017879055 /nfs/dbraw/zinc/87/90/55/1017879055.db2.gz OLGCRXTXIDJJOR-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM Cc1ccc([C@@H](C)NC(=O)N(CC(=O)[O-])[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000578110848 1020330566 /nfs/dbraw/zinc/33/05/66/1020330566.db2.gz WIQGUHPLSGRCEA-CABCVRRESA-N -1 0 385.420 3.822 20 5 GHBDRM CC(=O)c1cc(F)c([O-])c(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC001156201726 1032921221 /nfs/dbraw/zinc/92/12/21/1032921221.db2.gz ZFYZUKSMUOYPHU-UHFFFAOYSA-N -1 0 384.722 3.616 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1CNc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000834668220 1021356136 /nfs/dbraw/zinc/35/61/36/1021356136.db2.gz IONGABPYJHJFSY-UHFFFAOYSA-N -1 0 397.353 3.702 20 5 GHBDRM O=c1[n-]c(C2CC2)nc(O[C@@H]2CCc3cc(Br)ccc32)c1[N+](=O)[O-] ZINC001228605203 1033003649 /nfs/dbraw/zinc/00/36/49/1033003649.db2.gz CCOKLGKSSLNTTK-GFCCVEGCSA-N -1 0 392.209 3.797 20 5 GHBDRM Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])n[nH]2)c1 ZINC000754840074 1022926484 /nfs/dbraw/zinc/92/64/84/1022926484.db2.gz JRWBCDILYYFNST-UHFFFAOYSA-N -1 0 390.396 3.542 20 5 GHBDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@H](c2ccccc2)C2CCOCC2)cc1[O-] ZINC001228813441 1033113082 /nfs/dbraw/zinc/11/30/82/1033113082.db2.gz CORVXDXOQVIYLM-LJQANCHMSA-N -1 0 387.388 3.634 20 5 GHBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000755575069 1023299129 /nfs/dbraw/zinc/29/91/29/1023299129.db2.gz WXOYKIRIWQFATE-WYMLVPIESA-N -1 0 396.424 3.656 20 5 GHBDRM CCCCOC[C@@H](C)OC[C@H](C)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228860320 1033144582 /nfs/dbraw/zinc/14/45/82/1033144582.db2.gz TXFUOJZPEKPPNC-MNOVXSKESA-N -1 0 396.362 3.703 20 5 GHBDRM O=[N+]([O-])c1ncc(-c2nc(-c3cc(Br)ccc3Cl)no2)cc1[O-] ZINC001213596060 1028285989 /nfs/dbraw/zinc/28/59/89/1028285989.db2.gz KJFOFGGLDOVMPE-UHFFFAOYSA-N -1 0 397.572 3.828 20 5 GHBDRM O=C(c1ccccc1)c1ccc(-c2noc(-c3cnc([N+](=O)[O-])c([O-])c3)n2)cc1 ZINC001213596344 1028287007 /nfs/dbraw/zinc/28/70/07/1028287007.db2.gz YQWBRMYDJFPUAW-UHFFFAOYSA-N -1 0 388.339 3.643 20 5 GHBDRM O=[N+]([O-])c1cc(-c2nc(-c3ccc(OC(F)F)cc3)no2)c([O-])c([N+](=O)[O-])c1 ZINC001216712038 1029900602 /nfs/dbraw/zinc/90/06/02/1029900602.db2.gz ZRBAXCDRJJKTFY-UHFFFAOYSA-N -1 0 394.246 3.527 20 5 GHBDRM Cc1ccc(Cl)cc1-c1noc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])n1 ZINC001216711656 1029901037 /nfs/dbraw/zinc/90/10/37/1029901037.db2.gz GJLDODHTAWQSSB-UHFFFAOYSA-N -1 0 376.712 3.887 20 5 GHBDRM O=[N+]([O-])c1cccc([O-])c1-c1nc(-c2cc(F)ccc2Br)no1 ZINC001216845559 1029960378 /nfs/dbraw/zinc/96/03/78/1029960378.db2.gz VDVFVXSDEPUCGD-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM COc1ccc(Br)cc1-c1noc(-c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001216924480 1030004097 /nfs/dbraw/zinc/00/40/97/1030004097.db2.gz MJZWBKNONAYBTG-UHFFFAOYSA-N -1 0 392.165 3.789 20 5 GHBDRM COc1ccc(OC)c(-c2noc(-c3cc([O-])c(Cl)cc3[N+](=O)[O-])n2)c1 ZINC001217101401 1030166353 /nfs/dbraw/zinc/16/63/53/1030166353.db2.gz VGGIPBFBCCPUPK-UHFFFAOYSA-N -1 0 377.740 3.688 20 5 GHBDRM Cc1cc(F)c(-c2noc(-c3c[n-]c4ccc([N+](=O)[O-])cc4c3=O)n2)cc1F ZINC001217438453 1030392230 /nfs/dbraw/zinc/39/22/30/1030392230.db2.gz KIRPDYNPNXGBPI-UHFFFAOYSA-N -1 0 384.298 3.740 20 5 GHBDRM O=c1cc(-c2nc(-c3ccc(OC4CC4)cc3)no2)[n-]c2ccc([N+](=O)[O-])cc12 ZINC001217509904 1030452619 /nfs/dbraw/zinc/45/26/19/1030452619.db2.gz NJXKGAQNJLSNQQ-UHFFFAOYSA-N -1 0 390.355 3.695 20 5 GHBDRM O=c1cc(-c2nc(-c3ccc4ncccc4c3)no2)[n-]c2ccc([N+](=O)[O-])cc12 ZINC001217509789 1030453203 /nfs/dbraw/zinc/45/32/03/1030453203.db2.gz HSYYQPMBYJTXMW-UHFFFAOYSA-N -1 0 385.339 3.702 20 5 GHBDRM O=C(NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001152051963 1031089356 /nfs/dbraw/zinc/08/93/56/1031089356.db2.gz BCRCLUGLCJHHMA-GZMMTYOYSA-N -1 0 378.734 3.828 20 5 GHBDRM CCCCC[C@H](Oc1nc(=O)[n-]c(C(=O)OCC)c1[N+](=O)[O-])c1ccccc1 ZINC001226021831 1031745123 /nfs/dbraw/zinc/74/51/23/1031745123.db2.gz VSKVUVONSJGSMZ-AWEZNQCLSA-N -1 0 389.408 3.968 20 5 GHBDRM CCCSc1nc(O[C@@H]2CCOc3cccc(OC)c32)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229792564 1033719521 /nfs/dbraw/zinc/71/95/21/1033719521.db2.gz UIDSTOVLCAHGRQ-GFCCVEGCSA-N -1 0 393.421 3.504 20 5 GHBDRM CSc1nc(Cl)c([N+](=O)[O-])c([N-][C@H](c2ccccn2)C(F)(F)F)n1 ZINC001157684281 1033720852 /nfs/dbraw/zinc/72/08/52/1033720852.db2.gz JJUYIUHCNAVYFO-MRVPVSSYSA-N -1 0 379.751 3.871 20 5 GHBDRM CCOC(=O)N1CCC[C@@H](Oc2ccc3c(c2)oc(=O)c2cc([O-])ccc32)C1 ZINC001229798188 1033723284 /nfs/dbraw/zinc/72/32/84/1033723284.db2.gz UDJPTFGOINJEEL-OAHLLOKOSA-N -1 0 383.400 3.652 20 5 GHBDRM C[C@@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC001231075874 1034381991 /nfs/dbraw/zinc/38/19/91/1034381991.db2.gz IMGPZXCBJQVROE-RXMQYKEDSA-N -1 0 392.568 3.785 20 5 GHBDRM COc1c(Br)cccc1[C@H](C)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-] ZINC001231261670 1034491285 /nfs/dbraw/zinc/49/12/85/1034491285.db2.gz CCHQGYUAKODYEO-VIFPVBQESA-N -1 0 383.198 3.915 20 5 GHBDRM COc1ccc([C@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c(C)c1OC ZINC001160243859 1034915472 /nfs/dbraw/zinc/91/54/72/1034915472.db2.gz AHDPGZQPSPNVHV-JTQLQIEISA-N -1 0 394.811 3.770 20 5 GHBDRM C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(-n2ccnc2)cc1 ZINC001161012609 1035119778 /nfs/dbraw/zinc/11/97/78/1035119778.db2.gz FJOAMSFPCSHRBZ-LLVKDONJSA-N -1 0 386.795 3.631 20 5 GHBDRM CCOc1ccc(-c2nnc(-c3cc(=O)c4cc([N+](=O)[O-])ccc4[n-]3)o2)cc1 ZINC001252061840 1038838506 /nfs/dbraw/zinc/83/85/06/1038838506.db2.gz XJKTYTUISFBJPV-UHFFFAOYSA-N -1 0 378.344 3.552 20 5 GHBDRM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001462324019 1070171903 /nfs/dbraw/zinc/17/19/03/1070171903.db2.gz JYKZIFWXJBFUPG-SECBINFHSA-N -1 0 389.220 3.857 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC001292789543 1043875238 /nfs/dbraw/zinc/87/52/38/1043875238.db2.gz OWGJJUMQNMSRJA-UHFFFAOYSA-N -1 0 382.416 3.820 20 5 GHBDRM CC[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])Oc1cccc(F)c1 ZINC001294371515 1044593938 /nfs/dbraw/zinc/59/39/38/1044593938.db2.gz XQZOQNKYNCVXDV-LBPRGKRZSA-N -1 0 382.775 3.680 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC2(CC2)c2ccc(Br)cc21 ZINC001301021706 1046294750 /nfs/dbraw/zinc/29/47/50/1046294750.db2.gz YRKCPMUTKOMWIL-UHFFFAOYSA-N -1 0 389.205 3.755 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@H]1c1ccc(Br)cc1 ZINC001301291651 1046458998 /nfs/dbraw/zinc/45/89/98/1046458998.db2.gz OLOHFFPMQBGULS-CQSZACIVSA-N -1 0 377.194 3.650 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@H](CNc2ccc(Cl)cc2)C1 ZINC001303918546 1047533940 /nfs/dbraw/zinc/53/39/40/1047533940.db2.gz PURZHSYSAXKQEC-CYBMUJFWSA-N -1 0 389.839 3.918 20 5 GHBDRM C[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)Cc1cccs1 ZINC001309250056 1050519597 /nfs/dbraw/zinc/51/95/97/1050519597.db2.gz NJVSRIZWNHNKDY-VIFPVBQESA-N -1 0 392.861 3.606 20 5 GHBDRM Cc1cc(N2CCO[C@H](c3ccc(Cl)s3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001326420752 1057479931 /nfs/dbraw/zinc/47/99/31/1057479931.db2.gz JREJYOPSSSSNQO-LBPRGKRZSA-N -1 0 382.825 3.894 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC(O)(c2cccc(Cl)c2)C1 ZINC001446830019 1059874703 /nfs/dbraw/zinc/87/47/03/1059874703.db2.gz RNSDCUBAXLRYQE-UHFFFAOYSA-N -1 0 397.214 3.844 20 5 GHBDRM O=C(Cc1c[nH]c2ccc(Br)cc12)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001447269099 1059942799 /nfs/dbraw/zinc/94/27/99/1059942799.db2.gz RRRDAADEUHEKCN-UHFFFAOYSA-N -1 0 390.193 3.725 20 5 GHBDRM Cc1c(CNC(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])cccc1[N+](=O)[O-] ZINC001447714814 1060006099 /nfs/dbraw/zinc/00/60/99/1060006099.db2.gz CKPUWTVFCJIDJS-UHFFFAOYSA-N -1 0 394.431 3.848 20 5 GHBDRM O=C(Nc1ccc(N2CCCCC2)cn1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001464373225 1064976368 /nfs/dbraw/zinc/97/63/68/1064976368.db2.gz BDWXZBWQBITVGQ-UHFFFAOYSA-N -1 0 376.800 3.591 20 5 GHBDRM CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)Oc1ccccc1C(F)(F)F ZINC001465655427 1065773260 /nfs/dbraw/zinc/77/32/60/1065773260.db2.gz YRHHTXHJWWDHGJ-LBPRGKRZSA-N -1 0 398.337 3.907 20 5 GHBDRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001465829002 1065885177 /nfs/dbraw/zinc/88/51/77/1065885177.db2.gz RGOCMITWWYQRGT-UHFFFAOYSA-N -1 0 395.400 3.522 20 5 GHBDRM CCCN(C(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(C)C ZINC001466191832 1066025704 /nfs/dbraw/zinc/02/57/04/1066025704.db2.gz GMUZCJIFKUHYIS-UHFFFAOYSA-N -1 0 385.420 3.813 20 5 GHBDRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001466338885 1066099364 /nfs/dbraw/zinc/09/93/64/1066099364.db2.gz MUEYFIVTCJQOAU-UHFFFAOYSA-N -1 0 385.978 3.889 20 5 GHBDRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001466338297 1066099923 /nfs/dbraw/zinc/09/99/23/1066099923.db2.gz GEOOKZLTWCYSCG-LBPRGKRZSA-N -1 0 391.594 3.933 20 5 GHBDRM O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001467782961 1067467510 /nfs/dbraw/zinc/46/75/10/1067467510.db2.gz NGFIZUNBCHOVEW-UHFFFAOYSA-N -1 0 394.771 3.864 20 5 GHBDRM O=C(NCCCCc1nc(-c2ccccn2)cs1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001469546598 1068216584 /nfs/dbraw/zinc/21/65/84/1068216584.db2.gz SKJOZSIOXABRAB-UHFFFAOYSA-N -1 0 398.444 3.572 20 5 GHBDRM Cc1ccccc1-n1ncc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1C(F)F ZINC001469690543 1068313877 /nfs/dbraw/zinc/31/38/77/1068313877.db2.gz XLSQADIUUMICEB-UHFFFAOYSA-N -1 0 388.330 3.984 20 5 GHBDRM O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001470156866 1068601904 /nfs/dbraw/zinc/60/19/04/1068601904.db2.gz RKTFTCUYZUAMHL-UHFFFAOYSA-N -1 0 391.355 3.878 20 5 GHBDRM C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1C ZINC001473594893 1074037844 /nfs/dbraw/zinc/03/78/44/1074037844.db2.gz JZZZUXWVRUONKY-IJEWVQPXSA-N -1 0 393.484 3.814 20 5 GHBDRM CCOc1ccc(C[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C(=O)[O-])cc1 ZINC000737205861 599707461 /nfs/dbraw/zinc/70/74/61/599707461.db2.gz SOEBTGCTUCHYSZ-HNNXBMFYSA-N -1 0 395.415 3.897 20 5 GHBDRM O=C([O-])/C=C/c1ccc(NC[C@H](O)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000739626761 599763334 /nfs/dbraw/zinc/76/33/34/599763334.db2.gz VHCWJMGZEDJZRM-YERXGYGTSA-N -1 0 396.321 3.857 20 5 GHBDRM O=C([O-])CCc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000238059128 599772201 /nfs/dbraw/zinc/77/22/01/599772201.db2.gz YUZDAAAAHFFJKE-UHFFFAOYSA-N -1 0 397.412 3.988 20 5 GHBDRM COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cc1SC ZINC000737906088 599995993 /nfs/dbraw/zinc/99/59/93/599995993.db2.gz VOUXGEHTFSWJQW-QMMMGPOBSA-N -1 0 381.362 3.535 20 5 GHBDRM CC[C@](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccccc1 ZINC000262506443 600132934 /nfs/dbraw/zinc/13/29/34/600132934.db2.gz ZLSRBILEOKSWSH-ORAYPTAESA-N -1 0 388.445 3.582 20 5 GHBDRM CCC1=C(C(=O)[O-])[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1Cc1cccs1 ZINC000736932184 600228329 /nfs/dbraw/zinc/22/83/29/600228329.db2.gz MJVJYUKYOUUQSD-MRXNPFEDSA-N -1 0 387.417 3.672 20 5 GHBDRM CC[C@H]1CN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000736944352 600239527 /nfs/dbraw/zinc/23/95/27/600239527.db2.gz SCQGYJUHHHKIPL-ZFWWWQNUSA-N -1 0 398.415 3.528 20 5 GHBDRM CC(C)Oc1cccc([C@H](O)CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000736494899 600260712 /nfs/dbraw/zinc/26/07/12/600260712.db2.gz RBQYQKDNUYHDIC-QRBZPYHOSA-N -1 0 386.404 3.625 20 5 GHBDRM O=C([O-])CSCCC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000739853424 600282361 /nfs/dbraw/zinc/28/23/61/600282361.db2.gz QONRUPGUNIMLJP-UHFFFAOYSA-N -1 0 376.390 3.534 20 5 GHBDRM O=C([O-])NCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 ZINC000739992235 600294401 /nfs/dbraw/zinc/29/44/01/600294401.db2.gz RGHFIVTUTFZHRV-UHFFFAOYSA-N -1 0 398.419 3.605 20 5 GHBDRM O=C([O-])[C@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000739251614 600458000 /nfs/dbraw/zinc/45/80/00/600458000.db2.gz QKAXFDSIMDDVOB-MRXNPFEDSA-N -1 0 397.742 3.525 20 5 GHBDRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000236765590 600596607 /nfs/dbraw/zinc/59/66/07/600596607.db2.gz SDGORWXNERWGDR-UHFFFAOYSA-N -1 0 385.420 3.532 20 5 GHBDRM Cc1sc(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])cc1[N+](=O)[O-] ZINC000738990424 600601287 /nfs/dbraw/zinc/60/12/87/600601287.db2.gz LTYGNCJAAXXZNU-OAHLLOKOSA-N -1 0 398.440 3.791 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1CN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832482040 600741899 /nfs/dbraw/zinc/74/18/99/600741899.db2.gz VGVQDXIRSKGNFT-HNNXBMFYSA-N -1 0 385.203 3.826 20 5 GHBDRM 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COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c3c(cccc31)CC2 ZINC000603974594 861521388 /nfs/dbraw/zinc/52/13/88/861521388.db2.gz VOVBMQNYGAWMIT-UHFFFAOYSA-N -1 0 384.413 3.656 20 5 GHBDRM O=C(NCc1ccc(Br)cc1Cl)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506102268 845116474 /nfs/dbraw/zinc/11/64/74/845116474.db2.gz JFNFHUFQHRUMED-UHFFFAOYSA-N -1 0 385.601 3.646 20 5 GHBDRM CC(C)c1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000263109697 845853212 /nfs/dbraw/zinc/85/32/12/845853212.db2.gz FZWTUGZTCVIISJ-ROUUACIJSA-N -1 0 382.416 3.659 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1scnc1-c1ccccc1 ZINC000539103981 845856223 /nfs/dbraw/zinc/85/62/23/845856223.db2.gz HNGUBZPBTHZXOC-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM COc1c(Cl)cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000509539973 846208384 /nfs/dbraw/zinc/20/83/84/846208384.db2.gz JPTYBEBHHBPTLN-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1nc2cc(Cl)ccc2s1 ZINC000171152553 861657753 /nfs/dbraw/zinc/65/77/53/861657753.db2.gz RSBWRPPBEVJSGP-UHFFFAOYSA-N -1 0 387.801 3.798 20 5 GHBDRM O=C([O-])c1cc(C(=O)Nc2cccc(COCc3ccco3)c2)cc([N+](=O)[O-])c1 ZINC000502698802 846359865 /nfs/dbraw/zinc/35/98/65/846359865.db2.gz IMWARWHAHCFJIX-UHFFFAOYSA-N -1 0 396.355 3.855 20 5 GHBDRM COc1ccccc1C[C@@H](C)CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1 ZINC000502968533 846671932 /nfs/dbraw/zinc/67/19/32/846671932.db2.gz HRYDMMNZACUZAD-CQSZACIVSA-N -1 0 394.431 3.623 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c([N+](=O)[O-])c1 ZINC000604117612 861794734 /nfs/dbraw/zinc/79/47/34/861794734.db2.gz YOAPDQDAOIAAMU-UHFFFAOYSA-N -1 0 391.430 3.528 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1cnc2ccc(F)cc2c1 ZINC000430062932 847651299 /nfs/dbraw/zinc/65/12/99/847651299.db2.gz WWSBVYAPDRFUDY-UHFFFAOYSA-N -1 0 375.381 3.700 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc(N3C[C@H](C(=O)[O-])C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000422556489 847688594 /nfs/dbraw/zinc/68/85/94/847688594.db2.gz FIRSSNYZZYIOET-GOEBONIOSA-N -1 0 397.431 3.703 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2cccc(Cl)c2n1 ZINC000502491289 847928252 /nfs/dbraw/zinc/92/82/52/847928252.db2.gz HEEVMKGRWOUGLB-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000430069844 847944843 /nfs/dbraw/zinc/94/48/43/847944843.db2.gz BEUXEWIYNQYAER-UHFFFAOYSA-N -1 0 391.430 3.598 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cccc1[N+](=O)[O-] ZINC000135677218 848336912 /nfs/dbraw/zinc/33/69/12/848336912.db2.gz KCZJSUZNHNZAMR-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000604429962 862201969 /nfs/dbraw/zinc/20/19/69/862201969.db2.gz BQONXIXYYGDBQE-SECBINFHSA-N -1 0 392.330 3.792 20 5 GHBDRM COc1c(F)cc(S(=O)(=O)[N-]c2ccccc2OCC(C)C)cc1[N+](=O)[O-] ZINC000488284427 851349403 /nfs/dbraw/zinc/34/94/03/851349403.db2.gz MUYJKMPOOVYTME-UHFFFAOYSA-N 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COCCSc1ccc([C@@H](C)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000506189339 852141426 /nfs/dbraw/zinc/14/14/26/852141426.db2.gz IITLWHFUOVRWCJ-GFCCVEGCSA-N -1 0 376.434 3.530 20 5 GHBDRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC000436679259 852187541 /nfs/dbraw/zinc/18/75/41/852187541.db2.gz JZYKZXKGSCHREO-UHFFFAOYSA-N -1 0 393.193 3.826 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000436829410 852379405 /nfs/dbraw/zinc/37/94/05/852379405.db2.gz AIZKFDHGONQJSI-LBPRGKRZSA-N -1 0 380.322 3.949 20 5 GHBDRM O=C(NCc1ccnc(Oc2ccccc2F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436822771 852391941 /nfs/dbraw/zinc/39/19/41/852391941.db2.gz QQKAOARWHXJCBY-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM Cc1ccc(NCCCNC(=O)c2cc(F)c([O-])c(Cl)c2)c([N+](=O)[O-])c1 ZINC000436906186 852471615 /nfs/dbraw/zinc/47/16/15/852471615.db2.gz PUBUZWBLRLUANB-UHFFFAOYSA-N -1 0 381.791 3.633 20 5 GHBDRM COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1OCc1ccncc1 ZINC000436911360 852476912 /nfs/dbraw/zinc/47/69/12/852476912.db2.gz AHCSUAKDIXUQMZ-UHFFFAOYSA-N -1 0 395.371 3.535 20 5 GHBDRM O=C(N[C@H](COc1ccccc1)c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436967895 852539234 /nfs/dbraw/zinc/53/92/34/852539234.db2.gz ZOBUDZXMGUNSNC-GOSISDBHSA-N -1 0 378.384 3.851 20 5 GHBDRM C[C@H]1c2cccc(Br)c2CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436982679 852571964 /nfs/dbraw/zinc/57/19/64/852571964.db2.gz YGIDYVJWFXRMRI-JTQLQIEISA-N -1 0 391.221 3.822 20 5 GHBDRM COc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)sc2C)cc1 ZINC000029169252 852594076 /nfs/dbraw/zinc/59/40/76/852594076.db2.gz ZDNWBFAHJQSTJN-UHFFFAOYSA-N -1 0 385.401 3.993 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000507309755 852770318 /nfs/dbraw/zinc/77/03/18/852770318.db2.gz AJELTAGJWFDYQY-MRXNPFEDSA-N -1 0 386.795 3.807 20 5 GHBDRM C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507301660 852778730 /nfs/dbraw/zinc/77/87/30/852778730.db2.gz KRWHSUBJMYUOBP-VIFPVBQESA-N -1 0 397.200 3.563 20 5 GHBDRM O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507372015 852851537 /nfs/dbraw/zinc/85/15/37/852851537.db2.gz SPDKVLWBGOARKO-NSHDSACASA-N -1 0 396.230 3.616 20 5 GHBDRM CC(C)(c1nnc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)s1)c1ccccc1 ZINC000506365077 852861331 /nfs/dbraw/zinc/86/13/31/852861331.db2.gz UZFNKMKWBFOBNS-UHFFFAOYSA-N -1 0 384.417 3.730 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000509558194 852958484 /nfs/dbraw/zinc/95/84/84/852958484.db2.gz MVCJXOLZBUNSEK-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000437324665 853001549 /nfs/dbraw/zinc/00/15/49/853001549.db2.gz JTVQNZDNCYDLQB-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@@]1(C)C(=O)[O-] ZINC000571213552 853828661 /nfs/dbraw/zinc/82/86/61/853828661.db2.gz IGOFXTBUOITANM-ZUOKHONESA-N -1 0 384.388 3.570 20 5 GHBDRM C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000507740153 854226412 /nfs/dbraw/zinc/22/64/12/854226412.db2.gz YHXYRUIPABVQGQ-MRVPVSSYSA-N -1 0 383.173 3.693 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc(N3CC[C@@H](C)[C@H](C(=O)[O-])C3)c([N+](=O)[O-])c2)cc1 ZINC000572121498 854400619 /nfs/dbraw/zinc/40/06/19/854400619.db2.gz YKDGQOVFLRSOJX-RHSMWYFYSA-N -1 0 397.431 3.703 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc(N3CC[C@H](C)[C@@H](C(=O)[O-])C3)c([N+](=O)[O-])c2)cc1 ZINC000572121500 854400899 /nfs/dbraw/zinc/40/08/99/854400899.db2.gz YKDGQOVFLRSOJX-YOEHRIQHSA-N -1 0 397.431 3.703 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc2nn(C(C)C)cc2c1 ZINC000481975358 862567585 /nfs/dbraw/zinc/56/75/85/862567585.db2.gz RMPSGRIYQZPSLW-UHFFFAOYSA-N -1 0 388.449 3.943 20 5 GHBDRM CC(C)(C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(Br)c1 ZINC000536312352 854751147 /nfs/dbraw/zinc/75/11/47/854751147.db2.gz PMGVJCILSCCVQO-UHFFFAOYSA-N -1 0 379.210 3.979 20 5 GHBDRM O=C(NCc1cccc(COc2ccccc2)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000507760259 855248705 /nfs/dbraw/zinc/24/87/05/855248705.db2.gz SFXADAZAVTWMNB-UHFFFAOYSA-N -1 0 378.384 3.809 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000590422319 855401975 /nfs/dbraw/zinc/40/19/75/855401975.db2.gz AWQDGTWJIWQZAA-UHFFFAOYSA-N -1 0 380.322 3.634 20 5 GHBDRM CCn1cc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(=O)c2cc(Cl)ccc21 ZINC000166095793 855407460 /nfs/dbraw/zinc/40/74/60/855407460.db2.gz RYZDPHUJYNTWRN-UHFFFAOYSA-N -1 0 387.779 3.541 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c(F)cc1[N+](=O)[O-] ZINC000590598258 855504588 /nfs/dbraw/zinc/50/45/88/855504588.db2.gz RKDCAYWEUVXRHU-UHFFFAOYSA-N -1 0 391.380 3.862 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c(F)cc1[N+](=O)[O-] ZINC000590598077 855504595 /nfs/dbraw/zinc/50/45/95/855504595.db2.gz JXGUNXZKPGGOHT-UHFFFAOYSA-N -1 0 394.302 3.568 20 5 GHBDRM C[C@@H](CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)c1cccc(F)c1 ZINC000542752453 855623554 /nfs/dbraw/zinc/62/35/54/855623554.db2.gz XLQAQZFJCANWFP-VIFPVBQESA-N -1 0 380.759 3.941 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1Cl ZINC000184772047 855805763 /nfs/dbraw/zinc/80/57/63/855805763.db2.gz AIHMUTXDNYXBEG-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc2cccnc21 ZINC000427630730 856210011 /nfs/dbraw/zinc/21/00/11/856210011.db2.gz UQUJPPVQUHERGD-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000428024247 857031804 /nfs/dbraw/zinc/03/18/04/857031804.db2.gz ZMKJKJIJXDOXFN-SFHVURJKSA-N -1 0 380.404 3.647 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)CCc2cccc(Cl)c2)c2cccnc21 ZINC000508182716 857040842 /nfs/dbraw/zinc/04/08/42/857040842.db2.gz UXKSARGARRWISV-UHFFFAOYSA-N -1 0 391.836 3.781 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F 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O=C(c1cc([O-])cc([N+](=O)[O-])c1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000543688816 859459567 /nfs/dbraw/zinc/45/95/67/859459567.db2.gz BOZUBEFILAXURG-UHFFFAOYSA-N -1 0 399.230 3.632 20 5 GHBDRM O=C(N=c1ccc(C2CC2)n[n-]1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611206148 859643768 /nfs/dbraw/zinc/64/37/68/859643768.db2.gz KDJBCCCKWDDDFO-UHFFFAOYSA-N -1 0 384.461 3.971 20 5 GHBDRM O=C(N[C@H](c1ccccc1)C1(CO)CCCCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000597850101 859867916 /nfs/dbraw/zinc/86/79/16/859867916.db2.gz OEHIGMWCJOMIMJ-LJQANCHMSA-N -1 0 384.432 3.714 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)cc1[N+](=O)[O-] ZINC000121168916 860031879 /nfs/dbraw/zinc/03/18/79/860031879.db2.gz PPRZNRBFQDWXTB-UHFFFAOYSA-N -1 0 395.746 3.771 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccnn1C1CCCCC1 ZINC000727358263 860052586 /nfs/dbraw/zinc/05/25/86/860052586.db2.gz DHEWDZUPXZOLOL-UHFFFAOYSA-N -1 0 384.845 3.751 20 5 GHBDRM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2ccccc21 ZINC000598210158 860133992 /nfs/dbraw/zinc/13/39/92/860133992.db2.gz NRCVTSGOKWCUHM-HNNXBMFYSA-N -1 0 398.415 3.776 20 5 GHBDRM O=C1CCc2cc([N+](=O)[O-])c(NCc3ccc(O)c(Br)c3)cc2N1 ZINC000155596033 860550377 /nfs/dbraw/zinc/55/03/77/860550377.db2.gz RDPCMPYHULHYDK-UHFFFAOYSA-N -1 0 392.209 3.560 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-c2nccs2)cc1 ZINC000603624508 860925559 /nfs/dbraw/zinc/92/55/59/860925559.db2.gz QVJRWRULNKTXBI-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nccs2)cc1 ZINC000603779995 861165178 /nfs/dbraw/zinc/16/51/78/861165178.db2.gz OOTNFFOSEVFWGR-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM CCC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000733676406 863106406 /nfs/dbraw/zinc/10/64/06/863106406.db2.gz GPIPLPHSBBBLNJ-HNNXBMFYSA-N -1 0 382.482 3.786 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000593922133 863355036 /nfs/dbraw/zinc/35/50/36/863355036.db2.gz JSOUHDFLQATNKY-MZPVMMEZSA-N -1 0 386.429 3.505 20 5 GHBDRM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000480197279 864224103 /nfs/dbraw/zinc/22/41/03/864224103.db2.gz YVFSIDZRRFPGNS-UHFFFAOYSA-N -1 0 391.449 3.751 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(N3CCCC3)c(F)c2)ccc1[N+](=O)[O-] ZINC000734740089 864416087 /nfs/dbraw/zinc/41/60/87/864416087.db2.gz KEEZAMOSMZIVDI-UHFFFAOYSA-N -1 0 397.403 3.582 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1CCC(C)C ZINC000137807774 864587247 /nfs/dbraw/zinc/58/72/47/864587247.db2.gz MXFPUKPJOXKJGD-UHFFFAOYSA-N -1 0 386.861 3.600 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C(C)C ZINC000499263909 881794906 /nfs/dbraw/zinc/79/49/06/881794906.db2.gz GRXRDGMTJJSGTD-UHFFFAOYSA-N -1 0 380.470 3.680 20 5 GHBDRM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000174058359 865346043 /nfs/dbraw/zinc/34/60/43/865346043.db2.gz UDZIIGVZMLHVSV-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000127161112 865546408 /nfs/dbraw/zinc/54/64/08/865546408.db2.gz FOMODWFRSDALGK-UHFFFAOYSA-N -1 0 390.339 3.564 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2ncco2)cc1 ZINC000499286891 881913535 /nfs/dbraw/zinc/91/35/35/881913535.db2.gz QUPFTKIGRSUJTR-UHFFFAOYSA-N -1 0 379.781 3.704 20 5 GHBDRM O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000478949646 866906095 /nfs/dbraw/zinc/90/60/95/866906095.db2.gz ANKBHXKHRFBTBO-AWEZNQCLSA-N -1 0 378.331 3.709 20 5 GHBDRM O=C(NC1(c2cccc(Br)c2)CCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000065316253 866969924 /nfs/dbraw/zinc/96/99/24/866969924.db2.gz AJUQEAQQIZFBKE-UHFFFAOYSA-N -1 0 391.221 3.872 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)cc1[N+](=O)[O-] ZINC000742031847 867020078 /nfs/dbraw/zinc/02/00/78/867020078.db2.gz ZXUMUCLLGWRUHX-UHFFFAOYSA-N -1 0 394.302 3.584 20 5 GHBDRM COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000523727235 867835403 /nfs/dbraw/zinc/83/54/03/867835403.db2.gz JTULVUWURPEEBU-UHFFFAOYSA-N -1 0 393.446 3.631 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)C2CCCCCCC2)cc1[N+](=O)[O-] ZINC000744013098 868546259 /nfs/dbraw/zinc/54/62/59/868546259.db2.gz UNSQZDLEUHDRNZ-UHFFFAOYSA-N -1 0 388.873 3.722 20 5 GHBDRM CCCCCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000744132562 868611161 /nfs/dbraw/zinc/61/11/61/868611161.db2.gz PQNBBSPBJQMFQV-OAHLLOKOSA-N -1 0 376.500 3.848 20 5 GHBDRM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000524197887 868725351 /nfs/dbraw/zinc/72/53/51/868725351.db2.gz YMIYRVOUOMZXBL-ZDUSSCGKSA-N -1 0 389.839 3.519 20 5 GHBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1SC(F)F ZINC000766309828 868816926 /nfs/dbraw/zinc/81/69/26/868816926.db2.gz IJBJHOXFCDVQAA-UHFFFAOYSA-N -1 0 390.389 3.724 20 5 GHBDRM Cc1ccsc1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462552697 869665084 /nfs/dbraw/zinc/66/50/84/869665084.db2.gz QRTQQGBRSTWYCP-UHFFFAOYSA-N -1 0 381.262 3.750 20 5 GHBDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000446631675 870117159 /nfs/dbraw/zinc/11/71/59/870117159.db2.gz OFZVQUVBOZHSFF-UHFFFAOYSA-N -1 0 382.463 3.743 20 5 GHBDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000446625232 870143865 /nfs/dbraw/zinc/14/38/65/870143865.db2.gz QVWDKQQCZITVBC-UHFFFAOYSA-N -1 0 382.463 3.743 20 5 GHBDRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cc2cccnc2c2ncccc12 ZINC001192357688 870317632 /nfs/dbraw/zinc/31/76/32/870317632.db2.gz GIAOHDFUIGQWGF-UHFFFAOYSA-N -1 0 384.848 3.941 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OCC1CC1 ZINC000525369016 870519067 /nfs/dbraw/zinc/51/90/67/870519067.db2.gz WXBUTOZRMWOKRB-UHFFFAOYSA-N -1 0 380.397 3.632 20 5 GHBDRM O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000538834517 870710581 /nfs/dbraw/zinc/71/05/81/870710581.db2.gz AHCWZJDFMCZDRJ-CYBMUJFWSA-N -1 0 381.388 3.848 20 5 GHBDRM CCc1[nH]nc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1-c1cccs1 ZINC000446954427 870764671 /nfs/dbraw/zinc/76/46/71/870764671.db2.gz OMIUCRVWSKPCJP-UHFFFAOYSA-N -1 0 392.462 3.718 20 5 GHBDRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000525697878 871227800 /nfs/dbraw/zinc/22/78/00/871227800.db2.gz GADYZJJDVPNKJP-XHDPSFHLSA-N -1 0 383.857 3.709 20 5 GHBDRM O=C([O-])c1cc(C(=O)N[C@H](c2ccccc2)c2cccc(F)c2)cc([N+](=O)[O-])c1 ZINC000238178810 872496294 /nfs/dbraw/zinc/49/62/94/872496294.db2.gz NOEPOXIJNAOJJI-LJQANCHMSA-N -1 0 394.358 3.952 20 5 GHBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1nc(-c2ccccc2)cs1 ZINC000182694616 872686609 /nfs/dbraw/zinc/68/66/09/872686609.db2.gz ZVDGJKBCIBKWHV-UHFFFAOYSA-N -1 0 389.458 3.703 20 5 GHBDRM O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c1 ZINC000443467598 872997429 /nfs/dbraw/zinc/99/74/29/872997429.db2.gz RLJIYBDFBMYIKA-UHFFFAOYSA-N -1 0 396.730 3.773 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1Br ZINC000768864030 873666364 /nfs/dbraw/zinc/66/63/64/873666364.db2.gz HYLBDWBJZDVNAP-UHFFFAOYSA-N -1 0 377.241 3.528 20 5 GHBDRM CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])ccc21 ZINC000769017592 873778724 /nfs/dbraw/zinc/77/87/24/873778724.db2.gz RQCYUSZSHSBCHV-UHFFFAOYSA-N -1 0 399.403 3.850 20 5 GHBDRM COc1ccc(Br)c(CN(C)Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000549612131 874196376 /nfs/dbraw/zinc/19/63/76/874196376.db2.gz LGFIRIQVQOALMN-UHFFFAOYSA-N -1 0 381.226 3.704 20 5 GHBDRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000449003726 874341608 /nfs/dbraw/zinc/34/16/08/874341608.db2.gz PQXSMMPEJIIVAQ-CYBMUJFWSA-N -1 0 399.241 3.511 20 5 GHBDRM O=Cc1ccc(OCc2occc2C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000770855552 874888743 /nfs/dbraw/zinc/88/87/43/874888743.db2.gz FSXLZSUMFQQFSX-UHFFFAOYSA-N -1 0 382.328 3.537 20 5 GHBDRM CC(C)[C@H](NC(=O)OC(C)(C)C)c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000770874776 874910976 /nfs/dbraw/zinc/91/09/76/874910976.db2.gz 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ZINC000194796875 908926991 /nfs/dbraw/zinc/92/69/91/908926991.db2.gz CKQWNYOMNYZOQX-UHFFFAOYSA-N -1 0 396.384 3.599 20 5 GHBDRM O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1CCC[C@H]1C1CCC1 ZINC000773932185 910825596 /nfs/dbraw/zinc/82/55/96/910825596.db2.gz PGLHWNLYXCUMDC-ZDUSSCGKSA-N -1 0 390.827 3.544 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)cc3)ncn2)cs1 ZINC000795572433 911279839 /nfs/dbraw/zinc/27/98/39/911279839.db2.gz QOVNKVKLISMVKG-UHFFFAOYSA-N -1 0 396.837 3.568 20 5 GHBDRM CC[C@H]1CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC001187777666 915489087 /nfs/dbraw/zinc/48/90/87/915489087.db2.gz BIGLYYKGAVMRPO-WMLDXEAASA-N -1 0 390.461 3.505 20 5 GHBDRM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]c1cccc2cc[nH]c21 ZINC000775296982 916846603 /nfs/dbraw/zinc/84/66/03/916846603.db2.gz GPXIBSRJBKNBHX-UHFFFAOYSA-N -1 0 396.222 3.639 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)cc1Br ZINC000775296306 916848869 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393.513 3.997 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000753520081 929387374 /nfs/dbraw/zinc/38/73/74/929387374.db2.gz DPSRPQYUWLOSNU-UHFFFAOYSA-N -1 0 392.824 3.748 20 5 GHBDRM Cc1ccc(S(=O)(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1F ZINC000757921848 929855829 /nfs/dbraw/zinc/85/58/29/929855829.db2.gz UOZNQZMENFGRMT-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM COc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1OCc1cccnc1 ZINC000469511489 929954920 /nfs/dbraw/zinc/95/49/20/929954920.db2.gz CIIYNLFPGCFATO-UHFFFAOYSA-N -1 0 395.371 3.535 20 5 GHBDRM COc1ccc(-c2ccc(CN=c3[n-]nc(C(F)F)s3)o2)c([N+](=O)[O-])c1 ZINC000546767815 930416990 /nfs/dbraw/zinc/41/69/90/930416990.db2.gz XFWUTLKHZIUZFH-UHFFFAOYSA-N -1 0 382.348 3.687 20 5 GHBDRM CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)c2C1 ZINC000547305308 930901360 /nfs/dbraw/zinc/90/13/60/930901360.db2.gz YFBDNSFCWQCYGE-UHFFFAOYSA-N -1 0 393.440 3.650 20 5 GHBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-c2ccco2)cc1F ZINC000782541926 931263105 /nfs/dbraw/zinc/26/31/05/931263105.db2.gz OLENJNIFSLZXJY-UHFFFAOYSA-N -1 0 380.328 3.934 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1 ZINC000783826407 931671926 /nfs/dbraw/zinc/67/19/26/931671926.db2.gz GVTAKXFTXDIUSU-UHFFFAOYSA-N -1 0 377.205 3.716 20 5 GHBDRM O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1CCCCCCC1 ZINC000798151444 932546448 /nfs/dbraw/zinc/54/64/48/932546448.db2.gz NJJRUCQJNDVTHK-UHFFFAOYSA-N -1 0 378.816 3.546 20 5 GHBDRM C[C@@H](c1ccco1)N(C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798159027 932548875 /nfs/dbraw/zinc/54/88/75/932548875.db2.gz HOCVTQRTIYHSRY-JTQLQIEISA-N -1 0 390.783 3.566 20 5 GHBDRM Cc1nc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)s1 ZINC000798247528 932575881 /nfs/dbraw/zinc/57/58/81/932575881.db2.gz DRSDPVIVIWNIRD-UHFFFAOYSA-N -1 0 382.250 3.776 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2nsc(-c3ccccc3)n2)c1 ZINC000559962777 932982971 /nfs/dbraw/zinc/98/29/71/932982971.db2.gz ZYATTZLXIRTFPP-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccn(C3CCCCC3)n2)cc([N+](=O)[O-])c1F ZINC001116781590 933752696 /nfs/dbraw/zinc/75/26/96/933752696.db2.gz MPBNCKBUEQDNPZ-UHFFFAOYSA-N -1 0 382.417 3.545 20 5 GHBDRM CCCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1nc(=O)c2sccc2[n-]1 ZINC001116792644 933758938 /nfs/dbraw/zinc/75/89/38/933758938.db2.gz VOMDEORUUVUORP-UHFFFAOYSA-N -1 0 398.448 3.594 20 5 GHBDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001589604926 949236541 /nfs/dbraw/zinc/23/65/41/949236541.db2.gz YJKLNHXHVFWFHZ-HNNXBMFYSA-N -1 0 375.208 3.619 20 5 GHBDRM CC[C@H](NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001593618632 953509341 /nfs/dbraw/zinc/50/93/41/953509341.db2.gz YQGJKZXCBVZCQE-SQNIBIBYSA-N -1 0 383.404 3.658 20 5 GHBDRM COc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)cc1[N+](=O)[O-] ZINC001594080059 958250871 /nfs/dbraw/zinc/25/08/71/958250871.db2.gz KBEYSZMFWOETIU-SECBINFHSA-N -1 0 390.417 3.740 20 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C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001599886972 984647951 /nfs/dbraw/zinc/64/79/51/984647951.db2.gz GUNBWHPZGCVXTM-LLVKDONJSA-N -1 0 396.321 3.729 20 5 GHBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001589002978 984949235 /nfs/dbraw/zinc/94/92/35/984949235.db2.gz SUMRCBWHXXZVBD-IMTHGLKYSA-N -1 0 386.379 3.644 20 5 GHBDRM CC(=O)N(c1ccc(Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1)[C@H]1C[C@H]1C ZINC001589051376 985138397 /nfs/dbraw/zinc/13/83/97/985138397.db2.gz GYGMFXXCHROZOT-HWPZZCPQSA-N -1 0 384.392 3.501 20 5 GHBDRM CC(=O)c1cc([N+](=O)[O-])ccc1OCc1c(Br)cccc1C(=O)[O-] ZINC001589270373 985960401 /nfs/dbraw/zinc/96/04/01/985960401.db2.gz LIOBOMMJFAVCPZ-UHFFFAOYSA-N -1 0 394.177 3.837 20 5 GHBDRM CCOc1c(OC)cc(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])cc1OC ZINC001596991719 986273322 /nfs/dbraw/zinc/27/33/22/986273322.db2.gz SOPRNOZGKCVKGC-UHFFFAOYSA-N -1 0 390.392 3.629 20 5 GHBDRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1F ZINC001589373149 986421217 /nfs/dbraw/zinc/42/12/17/986421217.db2.gz BEDZGAYSGDGHQR-BUXKBTBVSA-N -1 0 396.374 3.933 20 5 GHBDRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC001589378720 986448510 /nfs/dbraw/zinc/44/85/10/986448510.db2.gz PRGBSWUMDIJPMS-HXPMCKFVSA-N -1 0 396.374 3.933 20 5 GHBDRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC001589378717 986448570 /nfs/dbraw/zinc/44/85/70/986448570.db2.gz PRGBSWUMDIJPMS-BLVKFPJESA-N -1 0 396.374 3.933 20 5 GHBDRM CCOc1cc(CN(C)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])ccc1OC(F)F ZINC001597032414 986455719 /nfs/dbraw/zinc/45/57/19/986455719.db2.gz FMAIKHVKZLJLKI-UHFFFAOYSA-N -1 0 396.346 3.930 20 5 GHBDRM C[C@@H]1Cc2ccccc2N1C1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001594623932 986679638 /nfs/dbraw/zinc/67/96/38/986679638.db2.gz LDNBQKCBPGIRNV-OAHLLOKOSA-N -1 0 395.459 3.642 20 5 GHBDRM CCOc1ccc(C[C@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C(=O)[O-])cc1 ZINC001597095895 986698852 /nfs/dbraw/zinc/69/88/52/986698852.db2.gz TVFMSZUCLJOBFN-OAHLLOKOSA-N -1 0 395.415 3.897 20 5 GHBDRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001589541117 987251968 /nfs/dbraw/zinc/25/19/68/987251968.db2.gz YWLVCXZLXNOAGD-BJOHPYRUSA-N -1 0 381.743 3.860 20 5 GHBDRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC001589656083 987618770 /nfs/dbraw/zinc/61/87/70/987618770.db2.gz JOMCZGZDISJTLL-UHFFFAOYSA-N -1 0 391.430 3.881 20 5 GHBDRM CSc1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC001599822719 988542805 /nfs/dbraw/zinc/54/28/05/988542805.db2.gz ULWAONMQPLSYAY-CQSZACIVSA-N -1 0 381.793 3.953 20 5 GHBDRM CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001597843069 989548698 /nfs/dbraw/zinc/54/86/98/989548698.db2.gz GECLYSRVAYLESS-INIZCTEOSA-N -1 0 382.420 3.628 20 5 GHBDRM CC(C)(CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1Br 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JODUTNATVRLQKT-UHFFFAOYSA-N -1 0 388.807 3.650 20 5 GHBDRM O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001299832608 1046060296 /nfs/dbraw/zinc/06/02/96/1046060296.db2.gz RJIRLKFVJGAKAC-UHFFFAOYSA-N -1 0 376.781 3.725 20 5 GHBDRM CC[C@H](C)Oc1cc(C)ccc1C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001309307651 1050578028 /nfs/dbraw/zinc/57/80/28/1050578028.db2.gz GXOOAONRTCDNDV-LBPRGKRZSA-N -1 0 398.506 3.929 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC001309355737 1050629272 /nfs/dbraw/zinc/62/92/72/1050629272.db2.gz AFPVALZBAVPLTE-LBPRGKRZSA-N -1 0 386.367 3.688 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCc2cc(Br)ccc21 ZINC001545940506 1058753944 /nfs/dbraw/zinc/75/39/44/1058753944.db2.gz CQCKYLBDVFVRCP-UHFFFAOYSA-N -1 0 397.612 3.919 20 5 GHBDRM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001443499304 1059139955 /nfs/dbraw/zinc/13/99/55/1059139955.db2.gz OEAMQSLIOJXOQM-JTQLQIEISA-N -1 0 388.811 3.814 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N(Cc1ccncc1)Cc1cccnc1 ZINC001443655623 1059169570 /nfs/dbraw/zinc/16/95/70/1059169570.db2.gz PZGVSCXPKUUQDE-UHFFFAOYSA-N -1 0 398.806 3.586 20 5 GHBDRM O=C(N[C@@H](COCc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001444348126 1059314546 /nfs/dbraw/zinc/31/45/46/1059314546.db2.gz ZZGIMICWFORAFT-FQEVSTJZSA-N -1 0 392.411 3.988 20 5 GHBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001449978767 1060496843 /nfs/dbraw/zinc/49/68/43/1060496843.db2.gz WMODMSCHOGZBCX-ZETCQYMHSA-N -1 0 395.202 3.975 20 5 GHBDRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001450174263 1060546609 /nfs/dbraw/zinc/54/66/09/1060546609.db2.gz XHCWTTREMYMRKZ-UHFFFAOYSA-N -1 0 392.293 3.962 20 5 GHBDRM O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001453474388 1061136829 /nfs/dbraw/zinc/13/68/29/1061136829.db2.gz AYIMQWXKFGHQGJ-UHFFFAOYSA-N -1 0 391.355 3.878 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1Cc2ccccc2N2CCC[C@H]2C1 ZINC001455188990 1062041225 /nfs/dbraw/zinc/04/12/25/1062041225.db2.gz NWECPKYMIHLLRR-AWEZNQCLSA-N -1 0 387.823 3.579 20 5 GHBDRM CC(C)[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC001463564676 1064464620 /nfs/dbraw/zinc/46/46/20/1064464620.db2.gz VJDQHAUTHMBWRO-OAHLLOKOSA-N -1 0 380.441 3.527 20 5 GHBDRM CC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC001463915573 1064715668 /nfs/dbraw/zinc/71/56/68/1064715668.db2.gz RJOQDNNECWVAKJ-UHFFFAOYSA-N -1 0 391.811 3.734 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001352066326 1064805189 /nfs/dbraw/zinc/80/51/89/1064805189.db2.gz GGZBQSRJXDWOMP-UHFFFAOYSA-N -1 0 386.385 3.555 20 5 GHBDRM Cc1ccc(N2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)cc1C ZINC001466625437 1066220139 /nfs/dbraw/zinc/22/01/39/1066220139.db2.gz QYFYBOWMUKATKZ-UHFFFAOYSA-N -1 0 389.839 3.533 20 5 GHBDRM Cc1cc2c(cc1Br)CN(Cc1cc([O-])ccc1[N+](=O)[O-])CC2 ZINC001460825719 1069203600 /nfs/dbraw/zinc/20/36/00/1069203600.db2.gz LCGMWRTZIUBDOA-UHFFFAOYSA-N -1 0 377.238 3.930 20 5 GHBDRM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001470670547 1072679311 /nfs/dbraw/zinc/67/93/11/1072679311.db2.gz WDMLPQVXZXQRJR-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(Br)cc1 ZINC001472149575 1073347519 /nfs/dbraw/zinc/34/75/19/1073347519.db2.gz WWAGZFPKRZCVRL-JTQLQIEISA-N -1 0 379.210 3.596 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)C=C([O-])c1c(Cl)cccc1Cl ZINC001472941317 1073731025 /nfs/dbraw/zinc/73/10/25/1073731025.db2.gz OEKDPTMQPJKGRO-UHFFFAOYSA-N -1 0 388.228 3.867 20 5 GHBDRM CC(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC001474791702 1074565837 /nfs/dbraw/zinc/56/58/37/1074565837.db2.gz KCCPUTDRWQDKBU-UHFFFAOYSA-N -1 0 390.461 3.777 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)ccc1[O-] ZINC001474949571 1074647218 /nfs/dbraw/zinc/64/72/18/1074647218.db2.gz MRIPMRREDUZUFT-QGZVFWFLSA-N -1 0 396.852 3.774 20 5 GHBDRM C[C@H](OC(=O)c1ccccc1NC(=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000736695744 599867559 /nfs/dbraw/zinc/86/75/59/599867559.db2.gz FYLLTYKWLMTVJI-JTQLQIEISA-N -1 0 398.331 3.653 20 5 GHBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000738200749 599886545 /nfs/dbraw/zinc/88/65/45/599886545.db2.gz JBKKDVDBHXTROL-HNNXBMFYSA-N -1 0 389.433 3.963 20 5 GHBDRM COc1ccc(C(=O)[O-])c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000737942735 600003984 /nfs/dbraw/zinc/00/39/84/600003984.db2.gz LMYVTDSKICSHQE-UHFFFAOYSA-N -1 0 399.384 3.677 20 5 GHBDRM Cc1cccc(C[C@@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000738707867 600025816 /nfs/dbraw/zinc/02/58/16/600025816.db2.gz IQBLROWJJMOZEF-ZDUSSCGKSA-N -1 0 391.811 3.622 20 5 GHBDRM Cc1ccc([C@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000738558618 600176480 /nfs/dbraw/zinc/17/64/80/600176480.db2.gz FBTVRGYZTLWRAH-ZDUSSCGKSA-N -1 0 377.784 3.547 20 5 GHBDRM CN(c1ccccc1)c1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC000737506081 600190984 /nfs/dbraw/zinc/19/09/84/600190984.db2.gz MHQCVFATEUHDLH-UHFFFAOYSA-N -1 0 392.371 3.708 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc([N+](=O)[O-])c1 ZINC000740090023 600191695 /nfs/dbraw/zinc/19/16/95/600191695.db2.gz JRERUSJOOPMFRG-UHFFFAOYSA-N -1 0 387.735 3.854 20 5 GHBDRM O=C([O-])c1cc(NC(=O)CSCc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000739336826 600192540 /nfs/dbraw/zinc/19/25/40/600192540.db2.gz GKWUUHPFBBDPAF-UHFFFAOYSA-N -1 0 380.809 3.818 20 5 GHBDRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736903719 600211147 /nfs/dbraw/zinc/21/11/47/600211147.db2.gz LJGSSEWMVLNTBU-HNNXBMFYSA-N -1 0 376.796 3.698 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000740094427 600241104 /nfs/dbraw/zinc/24/11/04/600241104.db2.gz FCVLNBUZEPGPBU-NSHDSACASA-N -1 0 391.767 3.849 20 5 GHBDRM O=C([O-])CCCNC(=S)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000739682567 600280006 /nfs/dbraw/zinc/28/00/06/600280006.db2.gz ZFHBVAFPQOXVAX-UHFFFAOYSA-N -1 0 375.406 3.538 20 5 GHBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000737493609 600404951 /nfs/dbraw/zinc/40/49/51/600404951.db2.gz GFIXXUOHGCBIIF-UHFFFAOYSA-N -1 0 395.318 3.558 20 5 GHBDRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000236578944 600418516 /nfs/dbraw/zinc/41/85/16/600418516.db2.gz ZERIRTGRSWCZHV-UHFFFAOYSA-N -1 0 385.420 3.580 20 5 GHBDRM COc1ccc(CC(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000737984090 600451097 /nfs/dbraw/zinc/45/10/97/600451097.db2.gz ICTIZTIGBDGQTF-UHFFFAOYSA-N -1 0 392.433 3.842 20 5 GHBDRM O=C([O-])Nc1ccc(CCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000740022448 600472430 /nfs/dbraw/zinc/47/24/30/600472430.db2.gz BPPNTAUAUGZMGG-UHFFFAOYSA-N -1 0 378.772 3.702 20 5 GHBDRM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738833373 600541171 /nfs/dbraw/zinc/54/11/71/600541171.db2.gz XCDBIFPJAJOZAN-UHFFFAOYSA-N -1 0 377.356 3.916 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2occc2COc2ccccc2)cc([N+](=O)[O-])c1 ZINC000740087406 600542933 /nfs/dbraw/zinc/54/29/33/600542933.db2.gz BRWHHFHYWAQRHX-UHFFFAOYSA-N -1 0 382.328 3.717 20 5 GHBDRM Cc1cc(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000439893204 600598566 /nfs/dbraw/zinc/59/85/66/600598566.db2.gz KCFQAKFIVNKDIN-GOSISDBHSA-N -1 0 392.411 3.730 20 5 GHBDRM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)CC3 ZINC000740185309 600638732 /nfs/dbraw/zinc/63/87/32/600638732.db2.gz ADXUKFLPXGQPGT-UHFFFAOYSA-N -1 0 399.790 3.626 20 5 GHBDRM O=C([O-])[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000833351407 600721125 /nfs/dbraw/zinc/72/11/25/600721125.db2.gz QXDBKEFPTBBZFA-CYBMUJFWSA-N -1 0 387.241 3.735 20 5 GHBDRM Cc1c(C(=O)Nc2cc(C(=O)[O-])c(F)cc2Br)cccc1[N+](=O)[O-] ZINC000738262559 600867910 /nfs/dbraw/zinc/86/79/10/600867910.db2.gz CKVKUZLDPOTJMC-UHFFFAOYSA-N -1 0 397.156 3.755 20 5 GHBDRM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000832927929 600889706 /nfs/dbraw/zinc/88/97/06/600889706.db2.gz MZRHMMWOACANRL-ROUUACIJSA-N -1 0 384.388 3.708 20 5 GHBDRM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000832927930 600889718 /nfs/dbraw/zinc/88/97/18/600889718.db2.gz MZRHMMWOACANRL-ZWKOTPCHSA-N -1 0 384.388 3.708 20 5 GHBDRM Cc1ccc(C)c([C@H]2CN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)[C@@H](C)CO2)c1 ZINC000262426781 601034729 /nfs/dbraw/zinc/03/47/29/601034729.db2.gz RCVJFJXPPCYQEW-IFXJQAMLSA-N -1 0 398.415 3.512 20 5 GHBDRM Cc1ccc(-c2noc([C@@H](C)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)n2)cc1F ZINC000832907810 601056398 /nfs/dbraw/zinc/05/63/98/601056398.db2.gz NEVINIYQWPGAJD-SNVBAGLBSA-N -1 0 387.323 3.931 20 5 GHBDRM Cc1sc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C(=O)[O-])c1C ZINC000833036618 601146643 /nfs/dbraw/zinc/14/66/43/601146643.db2.gz LUXBLODBTXVHOF-UHFFFAOYSA-N -1 0 399.222 3.986 20 5 GHBDRM CC[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1F ZINC000828999135 601378337 /nfs/dbraw/zinc/37/83/37/601378337.db2.gz RNPUNKPWYLKYDJ-AHWZWBKUSA-N -1 0 392.358 3.895 20 5 GHBDRM C[C@H](Sc1ccccc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1)C(=O)[O-] ZINC000827922176 601505298 /nfs/dbraw/zinc/50/52/98/601505298.db2.gz NAEHZBQNTDERLN-NSHDSACASA-N -1 0 397.412 3.961 20 5 GHBDRM O=C([O-])C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000013173829 601618875 /nfs/dbraw/zinc/61/88/75/601618875.db2.gz QFWQEGWTNFLEKP-ZDUSSCGKSA-N -1 0 383.187 3.847 20 5 GHBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000013256984 601622165 /nfs/dbraw/zinc/62/21/65/601622165.db2.gz XIZQJIRIPMNQQX-AWEZNQCLSA-N -1 0 394.836 3.916 20 5 GHBDRM Cc1ccc([C@@H](C)NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000262096383 601624818 /nfs/dbraw/zinc/62/48/18/601624818.db2.gz IMQBAZDYAJCINQ-OLZOCXBDSA-N -1 0 388.445 3.959 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)cc([N+](=O)[O-])c1 ZINC000238165920 601664793 /nfs/dbraw/zinc/66/47/93/601664793.db2.gz SKLPZYKMRORZMA-UHFFFAOYSA-N -1 0 395.198 3.798 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)cc([N+](=O)[O-])c1 ZINC000833296264 601813584 /nfs/dbraw/zinc/81/35/84/601813584.db2.gz PNICRYGBAVKEJG-QFIPXVFZSA-N -1 0 394.427 3.803 20 5 GHBDRM O=C([O-])c1ccc(COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)s1 ZINC000833119884 602003218 /nfs/dbraw/zinc/00/32/18/602003218.db2.gz UQDFMMIIXNCWLC-UHFFFAOYSA-N -1 0 393.420 3.658 20 5 GHBDRM Cc1cc(F)cc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000776656029 602157942 /nfs/dbraw/zinc/15/79/42/602157942.db2.gz CELCNVJIOAWPDS-UHFFFAOYSA-N -1 0 376.340 3.538 20 5 GHBDRM Cc1cc(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891392 602319654 /nfs/dbraw/zinc/31/96/54/602319654.db2.gz QMHRLWGSRPSDOA-CQSZACIVSA-N -1 0 386.379 3.840 20 5 GHBDRM Cc1ccc(NC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000740133303 602329157 /nfs/dbraw/zinc/32/91/57/602329157.db2.gz FIKJNAXXYBEPDT-UHFFFAOYSA-N -1 0 383.404 3.554 20 5 GHBDRM CC(C)c1ccc([C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])NC(=O)[O-])cc1 ZINC000738881145 602358901 /nfs/dbraw/zinc/35/89/01/602358901.db2.gz DFFGBQLPGWZLOE-INIZCTEOSA-N -1 0 389.383 3.596 20 5 GHBDRM O=C([O-])N1CCCc2cc(Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)ccc21 ZINC000740730136 602435372 /nfs/dbraw/zinc/43/53/72/602435372.db2.gz KACWWXOBQHZBFX-UHFFFAOYSA-N -1 0 382.376 3.654 20 5 GHBDRM COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)c1 ZINC000739934573 602643652 /nfs/dbraw/zinc/64/36/52/602643652.db2.gz XSMIASXWCWFRPG-UHFFFAOYSA-N -1 0 399.281 3.964 20 5 GHBDRM O=C([O-])Nc1ccc(OC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000738670460 602959994 /nfs/dbraw/zinc/95/99/94/602959994.db2.gz SEFHDLCQTOWQRG-UHFFFAOYSA-N -1 0 380.740 3.713 20 5 GHBDRM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000829771607 603179832 /nfs/dbraw/zinc/17/98/32/603179832.db2.gz DHEDDQMQMDPCMJ-SNVBAGLBSA-N -1 0 375.406 3.898 20 5 GHBDRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1 ZINC000825422852 603184553 /nfs/dbraw/zinc/18/45/53/603184553.db2.gz LNYLXXJRFNWKOH-LLVKDONJSA-N -1 0 375.406 3.654 20 5 GHBDRM CCOc1ccc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000739494063 603298307 /nfs/dbraw/zinc/29/83/07/603298307.db2.gz IXIKRVLYPRDDNG-UHFFFAOYSA-N -1 0 385.376 3.528 20 5 GHBDRM Cn1cc(CNc2cccc3c2CCN3C(=O)[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000831004214 604021486 /nfs/dbraw/zinc/02/14/86/604021486.db2.gz DYWVVBHPFOLRGR-UHFFFAOYSA-N -1 0 393.403 3.648 20 5 GHBDRM Cc1cc(N2CCC[C@@H]2Cn2cnc3ccccc32)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563205003 604560740 /nfs/dbraw/zinc/56/07/40/604560740.db2.gz IRSGBCTZJRLVQJ-CQSZACIVSA-N -1 0 380.404 3.620 20 5 GHBDRM Cc1cc([C@H](C)OC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])oc1C(=O)[O-] ZINC000832958250 604565975 /nfs/dbraw/zinc/56/59/75/604565975.db2.gz RCJBUZODTVICNM-LBPRGKRZSA-N -1 0 377.349 3.576 20 5 GHBDRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000833412795 604654467 /nfs/dbraw/zinc/65/44/67/604654467.db2.gz LMGYGNOMWDYVEE-GOSISDBHSA-N -1 0 397.431 3.515 20 5 GHBDRM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000262615254 604683552 /nfs/dbraw/zinc/68/35/52/604683552.db2.gz BKENXJHODBYWMG-CQSZACIVSA-N -1 0 386.429 3.683 20 5 GHBDRM C[C@@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@H]1C(=O)[O-] ZINC000263295154 604705398 /nfs/dbraw/zinc/70/53/98/604705398.db2.gz ZJIBVKRLXZNJLK-SJKOYZFVSA-N -1 0 386.429 3.539 20 5 GHBDRM O=C([O-])C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccs1 ZINC000833772506 604876388 /nfs/dbraw/zinc/87/63/88/604876388.db2.gz AQVSZJFCOUOEHB-NSHDSACASA-N -1 0 388.323 3.621 20 5 GHBDRM CC1CCC(N(C)C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC1 ZINC000833603633 605002026 /nfs/dbraw/zinc/00/20/26/605002026.db2.gz MLEDJTNZXXUHJO-UHFFFAOYSA-N -1 0 380.466 3.812 20 5 GHBDRM O=C([O-])Nc1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000834261526 605431260 /nfs/dbraw/zinc/43/12/60/605431260.db2.gz BRAVHCWKRVCMFM-UHFFFAOYSA-N -1 0 378.772 3.702 20 5 GHBDRM Cc1nc(-c2cccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)c2)cs1 ZINC000120124820 834577787 /nfs/dbraw/zinc/57/77/87/834577787.db2.gz FTLMLSYJAACIBQ-UHFFFAOYSA-N -1 0 381.460 3.889 20 5 GHBDRM CCCc1c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cnn1-c1ccccc1C ZINC000430157233 834640971 /nfs/dbraw/zinc/64/09/71/834640971.db2.gz PSLQKGKVRUXXRS-UHFFFAOYSA-N -1 0 380.404 3.999 20 5 GHBDRM C[C@H](CCC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000178951603 834849541 /nfs/dbraw/zinc/84/95/41/834849541.db2.gz ZGYJAUXWCRNCGM-GFCCVEGCSA-N -1 0 396.852 3.637 20 5 GHBDRM CCCCOc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000511261018 834885789 /nfs/dbraw/zinc/88/57/89/834885789.db2.gz OBMBCDNDCOYSKU-UHFFFAOYSA-N -1 0 380.422 3.583 20 5 GHBDRM CSc1ccccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c2ncccc12 ZINC000187072572 835000991 /nfs/dbraw/zinc/00/09/91/835000991.db2.gz UHHNXAWYHAMOPF-UHFFFAOYSA-N -1 0 375.431 3.666 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)cc1C ZINC000500786467 844014178 /nfs/dbraw/zinc/01/41/78/844014178.db2.gz KMKNYLAKDSVGFM-UHFFFAOYSA-N -1 0 397.884 3.727 20 5 GHBDRM O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164861138 835518572 /nfs/dbraw/zinc/51/85/72/835518572.db2.gz PKGYGXZUZURBQS-UHFFFAOYSA-N -1 0 383.335 3.666 20 5 GHBDRM C[C@H](Oc1cnc2ccccc2c1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000472490123 837126155 /nfs/dbraw/zinc/12/61/55/837126155.db2.gz YZNCBVMJTAESMO-JTQLQIEISA-N -1 0 387.779 3.908 20 5 GHBDRM Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000180353149 837170007 /nfs/dbraw/zinc/17/00/07/837170007.db2.gz UPKQVFFPJZZBTH-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1N1CCCCC1 ZINC000120911943 837360060 /nfs/dbraw/zinc/36/00/60/837360060.db2.gz DHLZOMLZSVEFGI-UHFFFAOYSA-N -1 0 379.413 3.525 20 5 GHBDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)on1 ZINC000179021042 838515262 /nfs/dbraw/zinc/51/52/62/838515262.db2.gz SOTIGSGOUDPKIG-UHFFFAOYSA-N -1 0 393.343 3.700 20 5 GHBDRM CCOC(=O)c1nc(Cl)c(Cl)nc1[N-]c1ccc(F)cc1[N+](=O)[O-] ZINC001210952242 839347926 /nfs/dbraw/zinc/34/79/26/839347926.db2.gz CDWYNXRIVLFTSJ-UHFFFAOYSA-N -1 0 375.143 3.751 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)cc1[N+](=O)[O-] ZINC000535780859 844441248 /nfs/dbraw/zinc/44/12/48/844441248.db2.gz SVJXQZHEAKHBAL-UHFFFAOYSA-N -1 0 391.430 3.528 20 5 GHBDRM CCCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCc2ccccc2C1 ZINC000236757210 839646717 /nfs/dbraw/zinc/64/67/17/839646717.db2.gz IDOBSEQHFUBAHC-SFHVURJKSA-N -1 0 382.416 3.703 20 5 GHBDRM CCCOCc1ccccc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146875084 839929550 /nfs/dbraw/zinc/92/95/50/839929550.db2.gz IPLVNBMUPDPSLZ-UHFFFAOYSA-N -1 0 398.868 3.653 20 5 GHBDRM C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1C(F)(F)F ZINC000511606926 840518290 /nfs/dbraw/zinc/51/82/90/840518290.db2.gz YLPLSQQEASQZHL-VIFPVBQESA-N -1 0 382.294 3.803 20 5 GHBDRM COC1(C[C@H](NC(=O)c2cc3ccccc3c3cccnc23)C(=O)[O-])CCC1 ZINC000652110180 840771746 /nfs/dbraw/zinc/77/17/46/840771746.db2.gz YOTKTDFCPBLPKK-SFHVURJKSA-N -1 0 378.428 3.530 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C(F)(F)F)c1 ZINC000511639730 841161806 /nfs/dbraw/zinc/16/18/06/841161806.db2.gz MQSFYICSTABQOR-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780391680 841778738 /nfs/dbraw/zinc/77/87/38/841778738.db2.gz GEGLUVGYDSFNGW-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000500292642 841852289 /nfs/dbraw/zinc/85/22/89/841852289.db2.gz UFCRVWQWYRBBEX-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM 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ZINC000456820480 867186643 /nfs/dbraw/zinc/18/66/43/867186643.db2.gz ICOYRZANNCTFRI-UHFFFAOYSA-N -1 0 376.359 3.674 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000456822491 867189727 /nfs/dbraw/zinc/18/97/27/867189727.db2.gz KVFCYCBSHAAKOH-UHFFFAOYSA-N -1 0 376.359 3.674 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2c(cccc2Cl)s1 ZINC000479139020 867209592 /nfs/dbraw/zinc/20/95/92/867209592.db2.gz ZGHXPNZFMXBDNI-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000523460225 867339948 /nfs/dbraw/zinc/33/99/48/867339948.db2.gz NIJZXJVEWCKFRH-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM O=C(N[C@H](c1c[nH]c2ccccc21)C(F)(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000553492879 867506896 /nfs/dbraw/zinc/50/68/96/867506896.db2.gz WPNKZBKPWBDOPW-OAHLLOKOSA-N -1 0 379.294 3.815 20 5 GHBDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C1CC1 ZINC000534971227 867850583 /nfs/dbraw/zinc/85/05/83/867850583.db2.gz 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Cc1ccc(S(=O)(=O)[N-]c2c(-c3ccco3)nc3ccccn32)c([N+](=O)[O-])c1 ZINC000446723163 870265100 /nfs/dbraw/zinc/26/51/00/870265100.db2.gz OCNRDCONPSKSCW-UHFFFAOYSA-N -1 0 398.400 3.612 20 5 GHBDRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000181205245 870281865 /nfs/dbraw/zinc/28/18/65/870281865.db2.gz GJRDONQYTXVWRY-UHFFFAOYSA-N -1 0 389.216 3.905 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nn1-c1ccccc1 ZINC000540041236 870288672 /nfs/dbraw/zinc/28/86/72/870288672.db2.gz LEYJYZNTVYJWBT-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM Cc1ccc(OCCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(Br)c1 ZINC000538871952 870797801 /nfs/dbraw/zinc/79/78/01/870797801.db2.gz DCQASWYAUGJQBN-UHFFFAOYSA-N -1 0 395.209 3.779 20 5 GHBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000617742453 870821785 /nfs/dbraw/zinc/82/17/85/870821785.db2.gz REDLFAYFIJGNGT-CYBMUJFWSA-N -1 0 380.466 3.812 20 5 GHBDRM CCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000447012057 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ZINC000537652938 882973173 /nfs/dbraw/zinc/97/31/73/882973173.db2.gz ZHDUJBSXFJFLAY-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)cc1F ZINC000475742765 882978214 /nfs/dbraw/zinc/97/82/14/882978214.db2.gz SYDRBGTYYUGOBV-UHFFFAOYSA-N -1 0 394.302 3.584 20 5 GHBDRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000030530137 876203188 /nfs/dbraw/zinc/20/31/88/876203188.db2.gz GXHBPGBARNQDIM-UHFFFAOYSA-N -1 0 380.422 3.501 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2c(s1)CCCCCC2 ZINC000195638772 877197466 /nfs/dbraw/zinc/19/74/66/877197466.db2.gz DXJCFZSVJFPZHS-UHFFFAOYSA-N -1 0 381.479 3.820 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCCC3)cc1[N+](=O)[O-] ZINC000195638801 877197826 /nfs/dbraw/zinc/19/78/26/877197826.db2.gz QPXGQIJZPMSVKO-UHFFFAOYSA-N -1 0 381.479 3.820 20 5 GHBDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C1\CCn2c1nc1ccc([N+](=O)[O-])cc1c2=O ZINC000530370631 877655033 /nfs/dbraw/zinc/65/50/33/877655033.db2.gz XIAAFBJNYGDLCZ-MDWZMJQESA-N -1 0 391.383 3.564 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1[N+](=O)[O-] ZINC000530542914 877997397 /nfs/dbraw/zinc/99/73/97/877997397.db2.gz XSZTUZAVYFILDR-UHFFFAOYSA-N -1 0 395.195 3.850 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1Cl ZINC000788488821 878097138 /nfs/dbraw/zinc/09/71/38/878097138.db2.gz MMUFYAINDFYGCF-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000537773536 878276954 /nfs/dbraw/zinc/27/69/54/878276954.db2.gz XLSPCWURZZZSRZ-UHFFFAOYSA-N -1 0 385.420 3.671 20 5 GHBDRM COc1cc(C(=O)[N-]c2nc(-c3cccs3)ns2)c([N+](=O)[O-])cc1F ZINC001127584790 878492841 /nfs/dbraw/zinc/49/28/41/878492841.db2.gz ONPVSNNWUNXDQJ-UHFFFAOYSA-N -1 0 380.382 3.575 20 5 GHBDRM Cc1ccccc1N=c1[n-]nc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 ZINC000461050401 879056425 /nfs/dbraw/zinc/05/64/25/879056425.db2.gz KYZIOKMTYPBRKC-KRWDZBQOSA-N -1 0 379.420 3.506 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)c1 ZINC000461423443 879781371 /nfs/dbraw/zinc/78/13/71/879781371.db2.gz AMTJIVFQPYWDGE-UHFFFAOYSA-N -1 0 389.477 3.736 20 5 GHBDRM Cc1ccc(C(=O)C2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)c(C)c1 ZINC000531766267 880443231 /nfs/dbraw/zinc/44/32/31/880443231.db2.gz CLDPSHZZRWFABR-UHFFFAOYSA-N -1 0 382.416 3.652 20 5 GHBDRM CC[C@@H](c1n[n-]c(=NC(=O)c2ccc([N+](=O)[O-])cc2C)s1)c1ccccc1 ZINC000609305650 881235170 /nfs/dbraw/zinc/23/51/70/881235170.db2.gz XZTSDJVWPVKVIK-OAHLLOKOSA-N -1 0 382.445 3.971 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cn1 ZINC000109422786 883489399 /nfs/dbraw/zinc/48/93/99/883489399.db2.gz JIJSUSYUZPMUOK-UHFFFAOYSA-N -1 0 389.364 3.722 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(C(C)C)nc2c1 ZINC000032097598 884211192 /nfs/dbraw/zinc/21/11/92/884211192.db2.gz DCYRVRLSMVHSQZ-UHFFFAOYSA-N -1 0 375.406 3.969 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(C(C)C)nc2c1 ZINC000032097689 884211643 /nfs/dbraw/zinc/21/16/43/884211643.db2.gz ZSTUWNCXEXGBNB-UHFFFAOYSA-N -1 0 391.405 3.669 20 5 GHBDRM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000556351782 884587676 /nfs/dbraw/zinc/58/76/76/884587676.db2.gz TTWJAYVGRGTIDB-UHFFFAOYSA-N -1 0 398.462 3.541 20 5 GHBDRM O=C(NCc1cccc(COCc2ccco2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000542612013 884619226 /nfs/dbraw/zinc/61/92/26/884619226.db2.gz IGNJKQUNEQZMBM-UHFFFAOYSA-N -1 0 382.372 3.540 20 5 GHBDRM C[C@H](Cc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-] ZINC000191407894 884937726 /nfs/dbraw/zinc/93/77/26/884937726.db2.gz QWIBTSQLUQNPIK-CQSZACIVSA-N -1 0 385.420 3.689 20 5 GHBDRM C[C@@H](Cc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1)C(=O)[O-] ZINC000191423741 884947200 /nfs/dbraw/zinc/94/72/00/884947200.db2.gz JYHYQCMJBDGXLW-LBPRGKRZSA-N -1 0 381.388 3.521 20 5 GHBDRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000193242352 884953050 /nfs/dbraw/zinc/95/30/50/884953050.db2.gz HENRZMFKDCBXRG-UHFFFAOYSA-N -1 0 386.407 3.800 20 5 GHBDRM C[C@@H](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1)C(=O)[O-] ZINC000191425217 884955893 /nfs/dbraw/zinc/95/58/93/884955893.db2.gz UNOPVIKSGWXHHI-LBPRGKRZSA-N -1 0 379.372 3.659 20 5 GHBDRM O=C([O-])[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000191468833 885056588 /nfs/dbraw/zinc/05/65/88/885056588.db2.gz OMIIGKHMAJGBRW-QGZVFWFLSA-N -1 0 384.775 3.957 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000153418317 885213896 /nfs/dbraw/zinc/21/38/96/885213896.db2.gz XPIPSCPXUPHVOV-GOSISDBHSA-N -1 0 398.440 3.738 20 5 GHBDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000556709632 885968067 /nfs/dbraw/zinc/96/80/67/885968067.db2.gz SQAKOOUYPMQYES-KRWDZBQOSA-N -1 0 385.420 3.651 20 5 GHBDRM CC(C)c1scnc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000808130147 886037410 /nfs/dbraw/zinc/03/74/10/886037410.db2.gz JJSCYKURGXSRQI-UHFFFAOYSA-N -1 0 379.822 3.768 20 5 GHBDRM CCOc1ccc([N+](=O)[O-])cc1CN1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000863473713 887141076 /nfs/dbraw/zinc/14/10/76/887141076.db2.gz WPFSZNMRFYMISR-UHFFFAOYSA-N -1 0 391.449 3.528 20 5 GHBDRM O=C([O-])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@H]2CCCC[C@@H]12 ZINC000864156089 887589971 /nfs/dbraw/zinc/58/99/71/887589971.db2.gz XFLKLLSNBNEMBV-SCTDSRPQSA-N -1 0 382.416 3.854 20 5 GHBDRM CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000194034210 887964701 /nfs/dbraw/zinc/96/47/01/887964701.db2.gz AKCJSVXUFVPJTO-UHFFFAOYSA-N -1 0 384.841 3.974 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cnn1C1CCCC1 ZINC000194224573 888122835 /nfs/dbraw/zinc/12/28/35/888122835.db2.gz YUHASXHYWWOOLK-UHFFFAOYSA-N -1 0 398.872 3.977 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cnn1C1CCCC1 ZINC000194229144 888128089 /nfs/dbraw/zinc/12/80/89/888128089.db2.gz XLOWTFMQFKFUPU-UHFFFAOYSA-N -1 0 378.454 3.632 20 5 GHBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc2c(cccc2Cl)s1 ZINC000916654093 889284120 /nfs/dbraw/zinc/28/41/20/889284120.db2.gz SJMDIBMPZXXHAE-UHFFFAOYSA-N -1 0 396.833 3.582 20 5 GHBDRM O=C([N-]C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1)C(F)(F)F ZINC000811855717 890048872 /nfs/dbraw/zinc/04/88/72/890048872.db2.gz CHQDFZJGHFGDEE-SECBINFHSA-N -1 0 399.291 3.509 20 5 GHBDRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000916791528 890233567 /nfs/dbraw/zinc/23/35/67/890233567.db2.gz CDSVDTKWFRNWKZ-NSHDSACASA-N -1 0 376.862 3.578 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(OC(F)F)c(F)c1 ZINC000497734687 892285498 /nfs/dbraw/zinc/28/54/98/892285498.db2.gz SANQCPNAILGTLQ-UHFFFAOYSA-N -1 0 376.674 3.947 20 5 GHBDRM CC(C)(NC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000263457481 892565325 /nfs/dbraw/zinc/56/53/25/892565325.db2.gz HUZHKQCXJURFDD-QGZVFWFLSA-N -1 0 399.447 3.605 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2N2CCCCC2)c1 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378.344 3.684 20 5 GHBDRM O=C([O-])c1cc(Nc2ccc(N3CCSCC3)c(F)c2)cc([N+](=O)[O-])c1 ZINC001176680390 908208160 /nfs/dbraw/zinc/20/81/60/908208160.db2.gz RQKDBQRDZVNYET-UHFFFAOYSA-N -1 0 377.397 3.729 20 5 GHBDRM Cn1nc(Br)c2ccc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc21 ZINC001176680087 908208233 /nfs/dbraw/zinc/20/82/33/908208233.db2.gz OQFDCTCZKSIWDQ-UHFFFAOYSA-N -1 0 391.181 3.686 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2ccc3ncsc3c2)c1 ZINC000795297080 909762485 /nfs/dbraw/zinc/76/24/85/909762485.db2.gz MRAINZBMGQTISK-UHFFFAOYSA-N -1 0 387.801 3.798 20 5 GHBDRM Cn1ccc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)cc21 ZINC000795300862 909771799 /nfs/dbraw/zinc/77/17/99/909771799.db2.gz BBCDEDSWCRGJMO-UHFFFAOYSA-N -1 0 383.788 3.680 20 5 GHBDRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795344206 910022774 /nfs/dbraw/zinc/02/27/74/910022774.db2.gz FWCXLCMOFWIBDF-UHFFFAOYSA-N -1 0 390.751 3.530 20 5 GHBDRM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 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Cc1sc(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)cc1[N+](=O)[O-] ZINC000466959825 928544082 /nfs/dbraw/zinc/54/40/82/928544082.db2.gz NXMUFFNMBRSQAC-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000752680276 928973402 /nfs/dbraw/zinc/97/34/02/928973402.db2.gz OKUZYHSVRLWVSE-UHFFFAOYSA-N -1 0 383.769 3.593 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000753069491 929189781 /nfs/dbraw/zinc/18/97/81/929189781.db2.gz VAAKSZKZZPCPED-UHFFFAOYSA-N -1 0 398.824 3.519 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)cc([N+](=O)[O-])c1F ZINC000758163198 929955022 /nfs/dbraw/zinc/95/50/22/929955022.db2.gz OUIPRJKCGIPCSY-UHFFFAOYSA-N -1 0 395.195 3.856 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000469882661 930233420 /nfs/dbraw/zinc/23/34/20/930233420.db2.gz VJNOBTMMEBGDQQ-MRXNPFEDSA-N -1 0 396.321 3.533 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ncccc12 ZINC000547436054 931017389 /nfs/dbraw/zinc/01/73/89/931017389.db2.gz WUDCYOKVHDWMDU-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM O=C(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000557343702 931360334 /nfs/dbraw/zinc/36/03/34/931360334.db2.gz SULWZLYZRBBYOI-KRWDZBQOSA-N -1 0 390.823 3.852 20 5 GHBDRM O=C(N[C@H](c1c[nH]c2ccccc21)C(F)(F)F)c1cccc([O-])c1[N+](=O)[O-] ZINC000557609739 931572420 /nfs/dbraw/zinc/57/24/20/931572420.db2.gz MMZLSGHYDOHHBX-OAHLLOKOSA-N -1 0 379.294 3.815 20 5 GHBDRM Cc1ccc(-c2ncccc2[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000783534875 931574280 /nfs/dbraw/zinc/57/42/80/931574280.db2.gz GZGZOLYNRSEFDP-UHFFFAOYSA-N -1 0 381.460 3.889 20 5 GHBDRM C[C@@H](NC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000797710341 932377124 /nfs/dbraw/zinc/37/71/24/932377124.db2.gz AXSNFTYYOBRGLP-YJYMSZOUSA-N -1 0 393.399 3.934 20 5 GHBDRM Cc1ccc(F)cc1NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798272942 932585743 /nfs/dbraw/zinc/58/57/43/932585743.db2.gz MSMCAPLVVSFBJM-UHFFFAOYSA-N -1 0 390.758 3.839 20 5 GHBDRM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000777772002 933357949 /nfs/dbraw/zinc/35/79/49/933357949.db2.gz STKKFOHUEAXRIA-UHFFFAOYSA-N -1 0 383.769 3.836 20 5 GHBDRM O=C(N[C@H](c1c[nH]c2ccccc21)C(F)(F)F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000561269776 934005823 /nfs/dbraw/zinc/00/58/23/934005823.db2.gz VDUFCPNLNQNUKF-OAHLLOKOSA-N -1 0 379.294 3.815 20 5 GHBDRM CCCc1c(NC(=O)c2cccc([O-])c2[N+](=O)[O-])cnn1-c1cccc(C)c1 ZINC000561305661 934039576 /nfs/dbraw/zinc/03/95/76/934039576.db2.gz VSMCEZXKMDNRLR-UHFFFAOYSA-N -1 0 380.404 3.999 20 5 GHBDRM O=C([O-])c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)nc1 ZINC001595236892 949415854 /nfs/dbraw/zinc/41/58/54/949415854.db2.gz JMVNNVWLUIORJJ-UHFFFAOYSA-N -1 0 379.328 3.733 20 5 GHBDRM O=C([O-])[C@@H]1C[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc21 ZINC001594804460 953771479 /nfs/dbraw/zinc/77/14/79/953771479.db2.gz 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20 5 GHBDRM CC(C)Oc1c(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)cccc1C(=O)[O-] ZINC001591746647 975785910 /nfs/dbraw/zinc/78/59/10/975785910.db2.gz PUVSKDPETPJEBY-UHFFFAOYSA-N -1 0 393.783 3.568 20 5 GHBDRM CC(C)Oc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C(=O)[O-])c1 ZINC001591786782 975961467 /nfs/dbraw/zinc/96/14/67/975961467.db2.gz ROTNARYSTTXBHR-UHFFFAOYSA-N -1 0 390.417 3.811 20 5 GHBDRM CC(C)c1ccc(C(=O)Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)c(C(C)C)c1 ZINC001591943356 976478124 /nfs/dbraw/zinc/47/81/24/976478124.db2.gz HOOXIDGIDAAZMU-UHFFFAOYSA-N -1 0 386.404 3.584 20 5 GHBDRM C[C@](CC(=O)[O-])(NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC001592304729 977667151 /nfs/dbraw/zinc/66/71/51/977667151.db2.gz PIINQSCTXZQJBW-HXUWFJFHSA-N -1 0 383.404 3.712 20 5 GHBDRM C[C@@H](CN(Cc1ccccc1)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001592598289 978530143 /nfs/dbraw/zinc/53/01/43/978530143.db2.gz BHIRYHHRSVQNGO-KBPBESRZSA-N -1 0 388.395 3.587 20 5 GHBDRM CC[C@](CNc1ncc([N+](=O)[O-])cc1Br)(C(=O)[O-])c1ccccc1 ZINC001595175966 979762487 /nfs/dbraw/zinc/76/24/87/979762487.db2.gz JWRJZJJEOKAQNX-MRXNPFEDSA-N -1 0 394.225 3.597 20 5 GHBDRM C[C@@H](Cc1ccsc1)NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001592906826 979850067 /nfs/dbraw/zinc/85/00/67/979850067.db2.gz PPSJRSKXLLPAEM-NSHDSACASA-N -1 0 394.474 3.584 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001595212675 980001401 /nfs/dbraw/zinc/00/14/01/980001401.db2.gz PZUFMSYWPLEBDW-LLVKDONJSA-N -1 0 389.433 3.834 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595213613 980008274 /nfs/dbraw/zinc/00/82/74/980008274.db2.gz WHHOHNVROWQDII-MDASCCDHSA-N -1 0 382.416 3.990 20 5 GHBDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001595361067 980758426 /nfs/dbraw/zinc/75/84/26/980758426.db2.gz DIYZYMKJKHXZLU-IPMKNSEASA-N -1 0 382.416 3.763 20 5 GHBDRM CCC1=C(C(=O)[O-])[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)NC(=S)N1 ZINC001595399623 980972855 /nfs/dbraw/zinc/97/28/55/980972855.db2.gz UJYNZJYTRFXCEJ-OAHLLOKOSA-N -1 0 389.458 3.591 20 5 GHBDRM CCCC[C@H](CNC(=O)OC(C)(C)C)Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001595633609 981873542 /nfs/dbraw/zinc/87/35/42/981873542.db2.gz QIGXXBXLOJHIAZ-CYBMUJFWSA-N -1 0 381.429 3.788 20 5 GHBDRM CCCC[C@@H](CNC(=O)OC(C)(C)C)Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001595633610 981873833 /nfs/dbraw/zinc/87/38/33/981873833.db2.gz QIGXXBXLOJHIAZ-ZDUSSCGKSA-N -1 0 381.429 3.788 20 5 GHBDRM CCCN(CCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001595882678 982896668 /nfs/dbraw/zinc/89/66/68/982896668.db2.gz LBCJNWRDUZJZSQ-VQHVLOKHSA-N -1 0 393.440 3.752 20 5 GHBDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001599888484 984665277 /nfs/dbraw/zinc/66/52/77/984665277.db2.gz HCGJPGLUWTVWKJ-LLVKDONJSA-N -1 0 396.321 3.729 20 5 GHBDRM C[C@H](Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1ccncc1Br ZINC001599902822 984872373 /nfs/dbraw/zinc/87/23/73/984872373.db2.gz QIXOWVOCIGTUCM-VIFPVBQESA-N -1 0 380.198 3.553 20 5 GHBDRM CC(=O)N(c1ccc(Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1)[C@H]1C[C@@H]1C ZINC001589051379 985138518 /nfs/dbraw/zinc/13/85/18/985138518.db2.gz GYGMFXXCHROZOT-QFYYESIMSA-N -1 0 384.392 3.501 20 5 GHBDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001594568528 986372100 /nfs/dbraw/zinc/37/21/00/986372100.db2.gz JQRBYEYADAFNTP-CYBMUJFWSA-N -1 0 389.839 3.657 20 5 GHBDRM CCOc1cc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001597043471 986500775 /nfs/dbraw/zinc/50/07/75/986500775.db2.gz VNETYTDPKPRION-NSHDSACASA-N -1 0 390.417 3.811 20 5 GHBDRM CC/C(=C/C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC001594691381 987090637 /nfs/dbraw/zinc/09/06/37/987090637.db2.gz SKTKWCLOQSLHDN-KGXYIWNSSA-N -1 0 398.415 3.513 20 5 GHBDRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001589541120 987252419 /nfs/dbraw/zinc/25/24/19/987252419.db2.gz YWLVCXZLXNOAGD-VFZGTOFNSA-N -1 0 381.743 3.860 20 5 GHBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001597272724 987323244 /nfs/dbraw/zinc/32/32/44/987323244.db2.gz KBZJTVZLZFFBSA-UHFFFAOYSA-N -1 0 393.446 3.991 20 5 GHBDRM CC[C@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001597338932 987478213 /nfs/dbraw/zinc/47/82/13/987478213.db2.gz ODAHDKFGCYYDAM-INIZCTEOSA-N -1 0 381.388 3.584 20 5 GHBDRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001597464813 987899545 /nfs/dbraw/zinc/89/95/45/987899545.db2.gz QPTKEVBQOIRWLQ-UHFFFAOYSA-N -1 0 380.303 3.709 20 5 GHBDRM CSc1ccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001599818037 988461362 /nfs/dbraw/zinc/46/13/62/988461362.db2.gz ZYWFKFHMZWLKOI-UHFFFAOYSA-N -1 0 389.433 3.721 20 5 GHBDRM 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ZINC001598526447 992725756 /nfs/dbraw/zinc/72/57/56/992725756.db2.gz GVBQTMJZQNFQGW-UHFFFAOYSA-N -1 0 384.310 3.757 20 5 GHBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@H](C1CCCCC1)C(F)(F)F ZINC000545368211 1015815933 /nfs/dbraw/zinc/81/59/33/1015815933.db2.gz YUQNBLVSJISMNR-CQSZACIVSA-N -1 0 380.388 3.525 20 5 GHBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-])C1CCCCC1 ZINC001593154823 993964251 /nfs/dbraw/zinc/96/42/51/993964251.db2.gz IWLHMRUQRSAAAK-LBPRGKRZSA-N -1 0 380.466 3.860 20 5 GHBDRM C[C@@](NC(=O)c1cc2sccc2s1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593155520 993968896 /nfs/dbraw/zinc/96/88/96/993968896.db2.gz DJJDEGPILBTWIS-INIZCTEOSA-N -1 0 376.415 3.601 20 5 GHBDRM C[C@](NC(=O)c1ccc(C2CCCC2)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593159279 993985317 /nfs/dbraw/zinc/98/53/17/993985317.db2.gz CEJYQOYZGQHWSF-OAQYLSRUSA-N -1 0 382.416 3.982 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001599622449 994102768 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COc1c(Br)cccc1[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[nH]c21 ZINC001227695014 1032519557 /nfs/dbraw/zinc/51/95/57/1032519557.db2.gz KAPSEYFKZFEQJK-QMMMGPOBSA-N -1 0 393.197 3.777 20 5 GHBDRM O=C([O-])Cc1ccc(NCc2cc(Cl)c3c(c2)OCCCO3)c([N+](=O)[O-])c1 ZINC000563888345 1018977713 /nfs/dbraw/zinc/97/77/13/1018977713.db2.gz JDCCBYYNALVBKD-UHFFFAOYSA-N -1 0 392.795 3.649 20 5 GHBDRM O=[N+]([O-])c1ccc([C@@H](Oc2ccc(-n3nn[n-]c3=S)cc2)C(F)(F)F)cc1 ZINC001228438162 1032936180 /nfs/dbraw/zinc/93/61/80/1032936180.db2.gz LNTBBGJPQIZHKM-CYBMUJFWSA-N -1 0 397.338 3.542 20 5 GHBDRM CCSCc1ccnc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000191784288 1020813143 /nfs/dbraw/zinc/81/31/43/1020813143.db2.gz YBLRYAZKPLAWQR-UHFFFAOYSA-N -1 0 381.479 3.661 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ncc(-c2ccccc2)s1 ZINC000194343984 1020965926 /nfs/dbraw/zinc/96/59/26/1020965926.db2.gz UKJMQOUWUOAOBC-UHFFFAOYSA-N -1 0 379.394 3.658 20 5 GHBDRM CC(C)(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1 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CBPBAIKIGGPLPE-UHFFFAOYSA-N -1 0 380.335 3.855 20 5 GHBDRM CCOC(=O)c1cccc([C@@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C(F)(F)F)c1 ZINC001225663213 1031526768 /nfs/dbraw/zinc/52/67/68/1031526768.db2.gz AAAWRVXNKPJALK-CYBMUJFWSA-N -1 0 386.282 3.555 20 5 GHBDRM CCOC(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(Cl)c1 ZINC001153455513 1031599669 /nfs/dbraw/zinc/59/96/69/1031599669.db2.gz MDXFIYFIBBXPNI-UHFFFAOYSA-N -1 0 379.756 3.775 20 5 GHBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@H]2CCOc3ccc(Br)cc32)[n-]1 ZINC001231260542 1034489544 /nfs/dbraw/zinc/48/95/44/1034489544.db2.gz UAFYLZZNLHPBFE-ZDUSSCGKSA-N -1 0 381.182 3.669 20 5 GHBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)[n-]1 ZINC001231263545 1034491066 /nfs/dbraw/zinc/49/10/66/1034491066.db2.gz KRXDGIWTZJZKSK-LBPRGKRZSA-N -1 0 381.429 3.561 20 5 GHBDRM O=[N+]([O-])c1ccccc1C=C([O-])c1nc(-c2cc(F)c(F)c(F)c2F)no1 ZINC001248978839 1036260516 /nfs/dbraw/zinc/26/05/16/1036260516.db2.gz PYOSMBYPFYSEFP-UHFFFAOYSA-N -1 0 381.241 3.627 20 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Cc1ccc([C@@H]2[C@@H](C)CCCN2S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC001463168202 1070872218 /nfs/dbraw/zinc/87/22/18/1070872218.db2.gz RUMROKUPONIBTO-LIRRHRJNSA-N -1 0 390.461 3.771 20 5 GHBDRM CC(C)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001309716033 1050935589 /nfs/dbraw/zinc/93/55/89/1050935589.db2.gz OZOIZIYIBDHHAW-UHFFFAOYSA-N -1 0 398.868 3.801 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCc1ccc(Cl)c(Cl)c1 ZINC001309845364 1051001894 /nfs/dbraw/zinc/00/18/94/1051001894.db2.gz PPRUKINGAXTHLF-UHFFFAOYSA-N -1 0 393.223 3.562 20 5 GHBDRM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001317761712 1054249611 /nfs/dbraw/zinc/24/96/11/1054249611.db2.gz HTIYCEQJZVJDQN-UHFFFAOYSA-N -1 0 387.421 3.749 20 5 GHBDRM O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cccc(F)c1[O-] ZINC001353964286 1056194656 /nfs/dbraw/zinc/19/46/56/1056194656.db2.gz DSOCLWDLOWHYOX-UHFFFAOYSA-N -1 0 380.331 3.923 20 5 GHBDRM CCCN(Cc1ccc([N+](=O)[O-])c(F)c1)Cc1nc(=O)c2sccc2[n-]1 ZINC001321424001 1056255864 /nfs/dbraw/zinc/25/58/64/1056255864.db2.gz OJQRAQPMHDJJHO-UHFFFAOYSA-N -1 0 376.413 3.856 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n(-c2ccc(C)cc2)n1 ZINC001322377764 1056661310 /nfs/dbraw/zinc/66/13/10/1056661310.db2.gz XZXTXALFXSHKFH-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCCN1Cc1ccc(F)cc1 ZINC001446827202 1059875333 /nfs/dbraw/zinc/87/53/33/1059875333.db2.gz HGPXVSFCBUYERV-OAHLLOKOSA-N -1 0 393.802 3.696 20 5 GHBDRM Cc1csc([C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C(F)(F)F)n1 ZINC001450462303 1060598316 /nfs/dbraw/zinc/59/83/16/1060598316.db2.gz SDYAVDURCQGDPN-JTQLQIEISA-N -1 0 395.746 3.752 20 5 GHBDRM O=C(N[C@@H](c1ccccc1)C1(CO)CCCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001452461631 1060941468 /nfs/dbraw/zinc/94/14/68/1060941468.db2.gz XPDNQJCEJHSSFZ-IBGZPJMESA-N -1 0 384.432 3.714 20 5 GHBDRM CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2ccccc21 ZINC001452749716 1061002067 /nfs/dbraw/zinc/00/20/67/1061002067.db2.gz XCCQYEURHCZZRE-HOTGVXAUSA-N -1 0 398.415 3.601 20 5 GHBDRM O=C(NCCc1ccccc1OCc1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC001454552060 1061837421 /nfs/dbraw/zinc/83/74/21/1061837421.db2.gz VAHUBFHCQWLQCJ-UHFFFAOYSA-N -1 0 392.411 3.852 20 5 GHBDRM O=C(NCc1cccc([N+](=O)[O-])c1)c1cc(Cl)cc(Br)c1[O-] ZINC001457655880 1063296611 /nfs/dbraw/zinc/29/66/11/1063296611.db2.gz VSCRANSYGBNXEP-UHFFFAOYSA-N -1 0 385.601 3.646 20 5 GHBDRM Cc1onc(OC(F)F)c1[N-]C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001458993593 1063977698 /nfs/dbraw/zinc/97/76/98/1063977698.db2.gz WQVXTMKXROIBKV-UHFFFAOYSA-N -1 0 392.112 3.507 20 5 GHBDRM Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC001463625284 1064509358 /nfs/dbraw/zinc/50/93/58/1064509358.db2.gz RGCLKUVMNLZCGV-HAQNSBGRSA-N -1 0 398.843 3.920 20 5 GHBDRM C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001466146530 1065997573 /nfs/dbraw/zinc/99/75/73/1065997573.db2.gz KLVLHVHBFXUWPB-VIFPVBQESA-N -1 0 397.200 3.563 20 5 GHBDRM O=C(C[C@@H]1CCC[C@H](C(F)(F)F)O1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001466409188 1066137842 /nfs/dbraw/zinc/13/78/42/1066137842.db2.gz YFGFPMYLJZSNDO-GZMMTYOYSA-N -1 0 382.722 3.782 20 5 GHBDRM Cc1ccc(-n2nc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])c3c2CCC3)c(C)c1 ZINC001466628893 1066221840 /nfs/dbraw/zinc/22/18/40/1066221840.db2.gz JUMHVUJCBGSRIL-UHFFFAOYSA-N -1 0 392.415 3.844 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC001300419581 1066285495 /nfs/dbraw/zinc/28/54/95/1066285495.db2.gz RSFHJHSJLGZCKJ-UHFFFAOYSA-N -1 0 383.187 3.511 20 5 GHBDRM CC(C)CNC(=O)c1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC001469550086 1068218307 /nfs/dbraw/zinc/21/83/07/1068218307.db2.gz YOOJHLFNQSLBOC-UHFFFAOYSA-N -1 0 391.811 3.592 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC2(CC2)c2ccc(Br)cc21 ZINC001470238842 1068640518 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Cc1ccc(S(=O)(=O)[N-]c2ccc3cccc(Cl)c3n2)cc1[N+](=O)[O-] ZINC000502405727 847847180 /nfs/dbraw/zinc/84/71/80/847847180.db2.gz QBBANGJEEAWPRJ-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM C[C@H](N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(OC(F)F)c1 ZINC000486914607 850230879 /nfs/dbraw/zinc/23/08/79/850230879.db2.gz QJKHULZYSXGHHY-JTQLQIEISA-N -1 0 376.319 3.841 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2noc(=NCCc3coc(-c4ccc(F)cc4)n3)[n-]2)cc1 ZINC000486937863 850280342 /nfs/dbraw/zinc/28/03/42/850280342.db2.gz LYOUXNNSVJSDEU-UHFFFAOYSA-N -1 0 395.350 3.515 20 5 GHBDRM O=C(NCc1ccc(COc2ccccc2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000515213451 850796715 /nfs/dbraw/zinc/79/67/15/850796715.db2.gz JOBFTJZGUSYJIN-UHFFFAOYSA-N -1 0 378.384 3.809 20 5 GHBDRM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000766042152 862175823 /nfs/dbraw/zinc/17/58/23/862175823.db2.gz GGCHRRORCSNMTR-UHFFFAOYSA-N -1 0 399.812 3.882 20 5 GHBDRM O=C([O-])C1(C(F)(F)F)CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 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399.628 3.689 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000436799459 852332698 /nfs/dbraw/zinc/33/26/98/852332698.db2.gz YLYNFCXLSMVGDM-LLVKDONJSA-N -1 0 397.214 3.901 20 5 GHBDRM O=C(N[C@H]1CSc2ccc(Br)cc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436812179 852371815 /nfs/dbraw/zinc/37/18/15/852371815.db2.gz DQDKZFHWGIMIKK-NSHDSACASA-N -1 0 395.234 3.640 20 5 GHBDRM CCOc1cc(Br)c(F)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436819723 852389164 /nfs/dbraw/zinc/38/91/64/852389164.db2.gz IXXRZQFAUOHVAR-UHFFFAOYSA-N -1 0 399.172 3.853 20 5 GHBDRM C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000151196600 852395319 /nfs/dbraw/zinc/39/53/19/852395319.db2.gz FRKREGRCLJUZQD-BZNIZROVSA-N -1 0 376.796 3.556 20 5 GHBDRM CC(C)c1nccn1Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436909240 852474338 /nfs/dbraw/zinc/47/43/38/852474338.db2.gz LTOPYSZHHYWQMU-UHFFFAOYSA-N -1 0 380.404 3.921 20 5 GHBDRM 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Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccnc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000808584121 886527335 /nfs/dbraw/zinc/52/73/35/886527335.db2.gz RXPMDSSCOQUMLS-UHFFFAOYSA-N -1 0 395.746 3.771 20 5 GHBDRM O=C([O-])c1cnc(NCC2(c3ccccc3Cl)CCOCC2)c([N+](=O)[O-])c1 ZINC000576468313 886641781 /nfs/dbraw/zinc/64/17/81/886641781.db2.gz CLHZYLJBEGPCDF-UHFFFAOYSA-N -1 0 391.811 3.502 20 5 GHBDRM O=C([O-])c1cnc(C2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)s1 ZINC000863479837 887141943 /nfs/dbraw/zinc/14/19/43/887141943.db2.gz APQQTYBASXAIPE-UHFFFAOYSA-N -1 0 390.446 3.743 20 5 GHBDRM O=C([O-])Cc1ccc(N2CCc3cc(C(F)(F)F)ccc3C2)c([N+](=O)[O-])c1 ZINC000863480770 887142425 /nfs/dbraw/zinc/14/24/25/887142425.db2.gz RQEQCTZUDLPVPK-UHFFFAOYSA-N -1 0 380.322 3.803 20 5 GHBDRM CC(C)(CC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000864176014 887600077 /nfs/dbraw/zinc/60/00/77/887600077.db2.gz OTGAWNGHWADZBW-FQEVSTJZSA-N -1 0 388.395 3.518 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)CCC2CCCCC2)cc1[N+](=O)[O-] ZINC000916190710 888825812 /nfs/dbraw/zinc/82/58/12/888825812.db2.gz YSEBZCYNLMHTNA-UHFFFAOYSA-N -1 0 388.873 3.722 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)ccc1Cl ZINC000154013890 889060789 /nfs/dbraw/zinc/06/07/89/889060789.db2.gz YAHQRLUTTKCUCN-UHFFFAOYSA-N -1 0 379.781 3.704 20 5 GHBDRM CC1CCN(c2ccc(CNc3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])cn2)CC1 ZINC000917077233 890983446 /nfs/dbraw/zinc/98/34/46/890983446.db2.gz XMWGRADXMRUUQA-QPJJXVBHSA-N -1 0 396.447 3.936 20 5 GHBDRM CC(C)c1noc(-c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000130536715 892484558 /nfs/dbraw/zinc/48/45/58/892484558.db2.gz CDIOYUFBVHHWBA-UHFFFAOYSA-N -1 0 388.405 3.569 20 5 GHBDRM COc1cccc(C[C@@H]2CCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000563182743 893446749 /nfs/dbraw/zinc/44/67/49/893446749.db2.gz MDSQORMRYJRLIR-AWEZNQCLSA-N -1 0 390.823 3.810 20 5 GHBDRM Cc1cc(N2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000563214250 893487664 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IILFGNLOPFPENA-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001136384618 897576273 /nfs/dbraw/zinc/57/62/73/897576273.db2.gz PQDLDNZRIQWRTQ-GFCCVEGCSA-N -1 0 378.812 3.768 20 5 GHBDRM C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])COCc1ccccc1 ZINC001136489433 898056999 /nfs/dbraw/zinc/05/69/99/898056999.db2.gz PWZTVSCYRJLQPV-GFCCVEGCSA-N -1 0 378.812 3.537 20 5 GHBDRM CN(C)c1ccc(-c2cncc(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)c2)cc1 ZINC000155938930 899223496 /nfs/dbraw/zinc/22/34/96/899223496.db2.gz UFPJERNIPPIRHA-UHFFFAOYSA-N -1 0 378.388 3.681 20 5 GHBDRM CC(C)Oc1cccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000885370729 900475259 /nfs/dbraw/zinc/47/52/59/900475259.db2.gz LDNKSBBGNZJKRF-GFCCVEGCSA-N -1 0 382.413 3.561 20 5 GHBDRM O=C([O-])Cc1ccc(N2CC[C@@H](Oc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC000844213433 900608336 /nfs/dbraw/zinc/60/83/36/900608336.db2.gz XZAAIPYRNBEVEC-CYBMUJFWSA-N -1 0 376.796 3.533 20 5 GHBDRM Cc1ccccc1[C@@H](O)C1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000844216626 900614618 /nfs/dbraw/zinc/61/46/18/900614618.db2.gz GIVPISTUCVWPPA-FQEVSTJZSA-N -1 0 384.432 3.860 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc2c1OCCCO2 ZINC000844655160 901114109 /nfs/dbraw/zinc/11/41/09/901114109.db2.gz RSZYMSTUOYVMKV-UHFFFAOYSA-N -1 0 398.824 3.519 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2cnco2)cc1 ZINC000158646860 901941502 /nfs/dbraw/zinc/94/15/02/901941502.db2.gz FAFSXRXQEKMEFK-UHFFFAOYSA-N -1 0 379.781 3.704 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000600876508 903035613 /nfs/dbraw/zinc/03/56/13/903035613.db2.gz YPBYBRFIURCKOM-ZTFRIQLXSA-N -1 0 386.429 3.902 20 5 GHBDRM Cc1ccc(SCCC(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000600877043 903038562 /nfs/dbraw/zinc/03/85/62/903038562.db2.gz QXJUKGGUWAMIPO-IBGZPJMESA-N -1 0 388.445 3.502 20 5 GHBDRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600879119 903040632 /nfs/dbraw/zinc/04/06/32/903040632.db2.gz VNYCIVUJZVSSHG-HXPMCKFVSA-N -1 0 390.823 3.543 20 5 GHBDRM O=C([O-])c1ccc(Nc2cc(F)ccc2OC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001174505209 907080452 /nfs/dbraw/zinc/08/04/52/907080452.db2.gz URKSXRMVWKIHQF-ZDUSSCGKSA-N -1 0 376.340 3.734 20 5 GHBDRM Nc1cc(Br)cc2c1ccn2-c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504048 907080543 /nfs/dbraw/zinc/08/05/43/907080543.db2.gz AHWMNMMMLWCFTF-UHFFFAOYSA-N -1 0 376.166 3.582 20 5 GHBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)C[C@@H](C)CCC ZINC000780365179 907657548 /nfs/dbraw/zinc/65/75/48/907657548.db2.gz KDICGGPXWBOATO-LBPRGKRZSA-N -1 0 388.511 3.593 20 5 GHBDRM O=[N+]([O-])c1ccc(F)c(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)c1 ZINC001175739264 907714456 /nfs/dbraw/zinc/71/44/56/907714456.db2.gz QZICZUCQKTUREV-UHFFFAOYSA-N -1 0 378.337 3.583 20 5 GHBDRM O=C([O-])c1cc(Nc2ccc3nc(-c4ccccc4)nn3c2)cc([N+](=O)[O-])c1 ZINC001176678047 908205282 /nfs/dbraw/zinc/20/52/82/908205282.db2.gz JPJMIBAMFFMJRK-UHFFFAOYSA-N -1 0 375.344 3.746 20 5 GHBDRM Nc1c2cccnc2c2ncccc2c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176679091 908206492 /nfs/dbraw/zinc/20/64/92/908206492.db2.gz CVWYJYOSXKSROR-UHFFFAOYSA-N -1 0 375.344 3.715 20 5 GHBDRM COc1cccc(Cn2ncc(C)c2Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176678543 908207007 /nfs/dbraw/zinc/20/70/07/908207007.db2.gz SQCFUEQKKJMIRJ-UHFFFAOYSA-N -1 0 382.376 3.598 20 5 GHBDRM C[C@@H](NC(=O)c1c[nH]c(=NC(=O)OC(C)(C)C)s1)c1ccc([N+](=O)[O-])cc1 ZINC001177592241 908654347 /nfs/dbraw/zinc/65/43/47/908654347.db2.gz QYPUWXOFSRAILZ-SNVBAGLBSA-N -1 0 392.437 3.889 20 5 GHBDRM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2ccccc21 ZINC000773847377 910056851 /nfs/dbraw/zinc/05/68/51/910056851.db2.gz QRZORSRPMOSKPK-UHFFFAOYSA-N -1 0 399.403 3.702 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2ccc(F)c([C@@H](C)O)c2)c1 ZINC000795381271 910118915 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Cc1sc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)cc1[N+](=O)[O-] ZINC000466965166 928548237 /nfs/dbraw/zinc/54/82/37/928548237.db2.gz TYUOBGFMMOGSNC-UHFFFAOYSA-N -1 0 383.234 3.778 20 5 GHBDRM CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000752755694 929008284 /nfs/dbraw/zinc/00/82/84/929008284.db2.gz WXWYTPDUMWVUCG-NSHDSACASA-N -1 0 399.831 3.586 20 5 GHBDRM CC(C)(C)OC(=O)N1Cc2ccc(COC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2C1 ZINC000783180504 931450534 /nfs/dbraw/zinc/45/05/34/931450534.db2.gz XWUDXXYQWAJJHZ-UHFFFAOYSA-N -1 0 387.392 3.531 20 5 GHBDRM Cc1cccc(N(C)C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])c1 ZINC000798287644 932594562 /nfs/dbraw/zinc/59/45/62/932594562.db2.gz KFEUNGITECVHPC-UHFFFAOYSA-N -1 0 386.795 3.725 20 5 GHBDRM CC(C)CN(CC(C)C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798291517 932596290 /nfs/dbraw/zinc/59/62/90/932596290.db2.gz UEUCOCAGOQIRBE-UHFFFAOYSA-N -1 0 394.859 3.894 20 5 GHBDRM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]c2scnc2C2CC2)cc1Cl ZINC000829897625 935879057 /nfs/dbraw/zinc/87/90/57/935879057.db2.gz JQJRRSZDNAYNSP-UHFFFAOYSA-N -1 0 377.806 3.522 20 5 GHBDRM O=C([O-])c1ccccc1C1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000841507814 955589068 /nfs/dbraw/zinc/58/90/68/955589068.db2.gz UWUJFPOXKUKMJH-UHFFFAOYSA-N -1 0 395.415 3.562 20 5 GHBDRM Cc1cccc([C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C(=O)[O-])c1 ZINC001594400013 958844716 /nfs/dbraw/zinc/84/47/16/958844716.db2.gz WKQLCQKEHIYMRQ-SFHVURJKSA-N -1 0 391.383 3.521 20 5 GHBDRM O=C([O-])/C=C/c1cc(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])co1 ZINC001606063845 973194404 /nfs/dbraw/zinc/19/44/04/973194404.db2.gz DWNOZDZZLYPNTQ-IHHMQQGQSA-N -1 0 394.339 3.627 20 5 GHBDRM CC(C)c1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)cc1[N+](=O)[O-] ZINC001591947508 976490627 /nfs/dbraw/zinc/49/06/27/976490627.db2.gz LWKBBRKCIUZVHB-UHFFFAOYSA-N -1 0 390.417 3.803 20 5 GHBDRM CC(C)c1nc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)sc1C(=O)[O-] ZINC001592028472 976728430 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XHDHACPAWQVLMY-OAHLLOKOSA-N -1 0 386.404 3.656 20 5 GHBDRM CCCCC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])C(C)(C)C ZINC001595687473 982179658 /nfs/dbraw/zinc/17/96/58/982179658.db2.gz QZKHGBPXCWMLFQ-OAHLLOKOSA-N -1 0 386.470 3.566 20 5 GHBDRM CCCO[C@@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1C ZINC001595942444 983098819 /nfs/dbraw/zinc/09/88/19/983098819.db2.gz VXCGLVOTDMJNEM-QGZVFWFLSA-N -1 0 390.367 3.847 20 5 GHBDRM CCN(Cc1ccccc1F)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001596371469 983870029 /nfs/dbraw/zinc/87/00/29/983870029.db2.gz GNWHKWXJAZXMKY-UHFFFAOYSA-N -1 0 375.356 3.795 20 5 GHBDRM C/C(=C\C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001588939210 984627839 /nfs/dbraw/zinc/62/78/39/984627839.db2.gz LZQAQZDEOCEPKP-YPNIWSFNSA-N -1 0 386.379 3.644 20 5 GHBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[C@]1(C)C(=O)[O-] ZINC001599924431 985181547 /nfs/dbraw/zinc/18/15/47/985181547.db2.gz CQGIXOZKXLKWDG-BUXKBTBVSA-N -1 0 392.477 3.812 20 5 GHBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001599972093 986024236 /nfs/dbraw/zinc/02/42/36/986024236.db2.gz VRYQXOXSOZLFBF-UHFFFAOYSA-N -1 0 397.156 3.755 20 5 GHBDRM O=[N+]([O-])c1ccccc1Cc1noc(-c2cccc(Br)c2[O-])n1 ZINC000544912943 1015203379 /nfs/dbraw/zinc/20/33/79/1015203379.db2.gz WGNWGHGGONFCMP-UHFFFAOYSA-N -1 0 376.166 3.704 20 5 GHBDRM C[C@@H]1CN(c2ccc(Nc3c(Cl)cc([N+](=O)[O-])cc3C(=O)[O-])cc2)CCO1 ZINC001594576218 986417070 /nfs/dbraw/zinc/41/70/70/986417070.db2.gz VKBLOAZVJIFJLR-LLVKDONJSA-N -1 0 391.811 3.915 20 5 GHBDRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1F ZINC001589373152 986421273 /nfs/dbraw/zinc/42/12/73/986421273.db2.gz BEDZGAYSGDGHQR-CWTRNNRKSA-N -1 0 396.374 3.933 20 5 GHBDRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC001589378718 986448411 /nfs/dbraw/zinc/44/84/11/986448411.db2.gz PRGBSWUMDIJPMS-BUXKBTBVSA-N -1 0 396.374 3.933 20 5 GHBDRM CCc1cc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c2c(n1)onc2C(C)C ZINC001597470602 987922750 /nfs/dbraw/zinc/92/27/50/987922750.db2.gz SXJHRVFKLWSZJL-UHFFFAOYSA-N -1 0 399.359 3.734 20 5 GHBDRM CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC001597500601 988057486 /nfs/dbraw/zinc/05/74/86/988057486.db2.gz RQFARDLQPYMYPB-IBGZPJMESA-N -1 0 378.384 3.866 20 5 GHBDRM CSc1ccc(NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001599819103 988481769 /nfs/dbraw/zinc/48/17/69/988481769.db2.gz LVIBFLFPIMRBRA-SNVBAGLBSA-N -1 0 375.406 3.898 20 5 GHBDRM CSc1cccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)c1[N+](=O)[O-] ZINC001599822443 988538490 /nfs/dbraw/zinc/53/84/90/988538490.db2.gz RJIAGVXFDOVHRO-UHFFFAOYSA-N -1 0 382.781 3.626 20 5 GHBDRM CC(C)(C)c1ccc(CC(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC001590480064 990059847 /nfs/dbraw/zinc/05/98/47/990059847.db2.gz OBRMZOZUEYRLDF-NRFANRHFSA-N -1 0 384.432 3.551 20 5 GHBDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001598300718 991247426 /nfs/dbraw/zinc/24/74/26/991247426.db2.gz YKLBEHDOLSHSFA-UHFFFAOYSA-N -1 0 397.309 3.630 20 5 GHBDRM CN(Cc1c(Br)cccc1[N+](=O)[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC001598505438 992496132 /nfs/dbraw/zinc/49/61/32/992496132.db2.gz IOMRLARQFPSNTB-HNNXBMFYSA-N -1 0 379.210 3.615 20 5 GHBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001598508327 992533593 /nfs/dbraw/zinc/53/35/93/992533593.db2.gz BSQUKSIILBJHIO-UHFFFAOYSA-N -1 0 380.828 3.632 20 5 GHBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001591600849 992833801 /nfs/dbraw/zinc/83/38/01/992833801.db2.gz WNEUYKNRCNSCOI-UHFFFAOYSA-N -1 0 392.799 3.784 20 5 GHBDRM C[C@@H](Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC001593373356 995065558 /nfs/dbraw/zinc/06/55/58/995065558.db2.gz BQCKCHULDSTYNM-MRVPVSSYSA-N -1 0 377.307 3.606 20 5 GHBDRM COC(=O)/C=C/c1ccc(OC)c(Oc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001598835268 996478282 /nfs/dbraw/zinc/47/82/82/996478282.db2.gz VZSBKMDZRDBPMS-NXZHAISVSA-N -1 0 399.355 3.680 20 5 GHBDRM CC1(C)CCC[C@@](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)(C(=O)[O-])C1 ZINC001593891285 996735442 /nfs/dbraw/zinc/73/54/42/996735442.db2.gz AKSLAGDPILBBJC-SFHVURJKSA-N -1 0 376.434 3.963 20 5 GHBDRM CC1(C)CCC[C@](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])(C(=O)[O-])C1 ZINC001593892272 996740356 /nfs/dbraw/zinc/74/03/56/996740356.db2.gz KNOAJWZOIZBKCF-OAQYLSRUSA-N -1 0 397.431 3.810 20 5 GHBDRM COc1ccc(C(=O)[O-])c2c1CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC001599498581 997065334 /nfs/dbraw/zinc/06/53/34/997065334.db2.gz SDPNEAGKYLJFRZ-UHFFFAOYSA-N -1 0 396.321 3.883 20 5 GHBDRM COc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001599503312 997166665 /nfs/dbraw/zinc/16/66/65/997166665.db2.gz GHWYZSWWGKHKKW-AWEZNQCLSA-N -1 0 399.277 3.605 20 5 GHBDRM COc1cc(COc2cccc([N+](=O)[O-])c2C)c(Br)cc1C(=O)[O-] ZINC001599416807 997525778 /nfs/dbraw/zinc/52/57/78/997525778.db2.gz IZUIIYJHDOVJHI-UHFFFAOYSA-N -1 0 396.193 3.952 20 5 GHBDRM COc1ccc([C@H]2CCN(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3C)C2)cc1 ZINC001599538299 997785761 /nfs/dbraw/zinc/78/57/61/997785761.db2.gz GWFKJIQMVAYUCP-AWEZNQCLSA-N -1 0 399.403 3.631 20 5 GHBDRM COc1cc(C(=O)N2CCCc3c(C)ccc(C(=O)[O-])c32)cc([N+](=O)[O-])c1C ZINC001599351169 998096112 /nfs/dbraw/zinc/09/61/12/998096112.db2.gz QJRLXQFZAIREJA-UHFFFAOYSA-N -1 0 384.388 3.511 20 5 GHBDRM COC(=O)c1cc(Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc(C(=O)[O-])c1 ZINC001598950728 998146006 /nfs/dbraw/zinc/14/60/06/998146006.db2.gz KBXBHKIPOIDRTE-UHFFFAOYSA-N -1 0 385.250 3.891 20 5 GHBDRM COc1cc(Oc2ccc(C(=O)[O-])cc2Br)c([N+](=O)[O-])cc1OC ZINC001599456742 998201844 /nfs/dbraw/zinc/20/18/44/998201844.db2.gz XJXWOMKNUVVOBB-UHFFFAOYSA-N -1 0 398.165 3.865 20 5 GHBDRM COc1cc(OCc2ccc(Br)cc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC001599456897 998203540 /nfs/dbraw/zinc/20/35/40/998203540.db2.gz MQQYZVFMFUJEQU-UHFFFAOYSA-N -1 0 382.166 3.643 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1CNc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001599462355 998295636 /nfs/dbraw/zinc/29/56/36/998295636.db2.gz OIPKPHHSNKEVKH-UHFFFAOYSA-N -1 0 399.172 3.815 20 5 GHBDRM C[C@H]1CC[C@](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)(C(=O)[O-])c2ccccc21 ZINC001594322201 999241188 /nfs/dbraw/zinc/24/11/88/999241188.db2.gz IWOWTIRAGFBLFK-JEOXALJRSA-N -1 0 388.807 3.855 20 5 GHBDRM C[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C[C@H]1C(=O)OC(C)(C)C ZINC001594431361 999605244 /nfs/dbraw/zinc/60/52/44/999605244.db2.gz ASAQERMZOGIPEU-ZWNOBZJWSA-N -1 0 398.843 3.751 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)c(Cl)c1 ZINC000470460866 1016792226 /nfs/dbraw/zinc/79/22/26/1016792226.db2.gz STTANLDJLRDIOH-UHFFFAOYSA-N -1 0 396.730 3.790 20 5 GHBDRM C[C@H](Oc1cc2cc(S(=O)(=O)[O-])ccc2cc1O)c1cccc([N+](=O)[O-])c1 ZINC001227638844 1032496898 /nfs/dbraw/zinc/49/68/98/1032496898.db2.gz CFCRUZCZDXBLKT-NSHDSACASA-N -1 0 389.385 3.840 20 5 GHBDRM O=C(c1ccccc1)[C@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228602478 1033001835 /nfs/dbraw/zinc/00/18/35/1033001835.db2.gz CABRWGQMDHGHNJ-GOSISDBHSA-N -1 0 391.383 3.971 20 5 GHBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)cc1[N+](=O)[O-] ZINC000755078923 1023064617 /nfs/dbraw/zinc/06/46/17/1023064617.db2.gz DSLLSBMUXCMHFK-UHFFFAOYSA-N -1 0 389.405 3.722 20 5 GHBDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CC[C@@H](OCc3ccccc3)C2)cc1[O-] ZINC001228813842 1033112993 /nfs/dbraw/zinc/11/29/93/1033112993.db2.gz GXMMJJQXFKGDLE-HUUCEWRRSA-N -1 0 387.388 3.604 20 5 GHBDRM C[C@@H](CCC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000755571744 1023298312 /nfs/dbraw/zinc/29/83/12/1023298312.db2.gz DNAUBBNCKLRULM-JTQLQIEISA-N -1 0 376.862 3.516 20 5 GHBDRM O=C(NCc1cccc(COCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001141696924 1026276582 /nfs/dbraw/zinc/27/65/82/1026276582.db2.gz PFTHOVVLTQZWKE-UHFFFAOYSA-N -1 0 392.411 3.947 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)C=C([O-])c1ccc(C(C)(C)C)cc1 ZINC001164671144 1026572733 /nfs/dbraw/zinc/57/27/33/1026572733.db2.gz DKKYLYIYPNSNAZ-UHFFFAOYSA-N -1 0 375.446 3.857 20 5 GHBDRM Nc1cc2oc3c/c(=N/c4ccc(C(=O)[O-])nc4)ccc-3nc2c2ccccc12 ZINC001210176914 1027373528 /nfs/dbraw/zinc/37/35/28/1027373528.db2.gz KFFPHXZKMOVKBI-BRJLIKDPSA-N -1 0 382.379 3.994 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C1CCCCC1)C(F)(F)F ZINC001211477040 1027978991 /nfs/dbraw/zinc/97/89/91/1027978991.db2.gz LLYMVYZXJKJOAK-CQSZACIVSA-N -1 0 380.388 3.693 20 5 GHBDRM Cc1cc(-c2noc(-c3cnc([N+](=O)[O-])c([O-])c3)n2)c(Br)cc1F ZINC001213595973 1028286292 /nfs/dbraw/zinc/28/62/92/1028286292.db2.gz FYASQVJHSFTCJU-UHFFFAOYSA-N -1 0 395.144 3.622 20 5 GHBDRM COc1ccc(-c2noc(-c3cc([O-])ccc3[N+](=O)[O-])n2)c(Br)c1 ZINC001216678578 1029728032 /nfs/dbraw/zinc/72/80/32/1029728032.db2.gz MHJWBSRIOFONCG-UHFFFAOYSA-N -1 0 392.165 3.789 20 5 GHBDRM O=[N+]([O-])c1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c([O-])c([N+](=O)[O-])c1 ZINC001216711702 1029900537 /nfs/dbraw/zinc/90/05/37/1029900537.db2.gz JFUURRAKMCMSRF-UHFFFAOYSA-N -1 0 396.237 3.944 20 5 GHBDRM CCN(CC)c1ccc(-c2noc(-c3cc(OC)c([O-])c([N+](=O)[O-])c3)n2)cc1 ZINC001216836920 1029955472 /nfs/dbraw/zinc/95/54/72/1029955472.db2.gz BQKKWNUVUMTIRA-UHFFFAOYSA-N -1 0 384.392 3.872 20 5 GHBDRM Cc1ccc(-c2nc(-c3ncc(Br)cc3C)no2)c([N+](=O)[O-])c1[O-] ZINC001216856884 1029966032 /nfs/dbraw/zinc/96/60/32/1029966032.db2.gz SKBUPMIZZBPOHG-UHFFFAOYSA-N -1 0 391.181 3.792 20 5 GHBDRM O=[N+]([O-])c1cc([O-])ccc1-c1nc(-c2ccc(Br)cc2F)no1 ZINC001216890700 1029981965 /nfs/dbraw/zinc/98/19/65/1029981965.db2.gz ITBJEDHQZMKQJN-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM O=[N+]([O-])c1cc([O-])ccc1-c1nc(-c2cccc(Br)c2F)no1 ZINC001216891321 1029982818 /nfs/dbraw/zinc/98/28/18/1029982818.db2.gz PPYXLBDCLUFQPF-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM O=c1c(-c2nc(-c3cc(F)ccc3Cl)no2)c[n-]c2ccc([N+](=O)[O-])cc12 ZINC001217438041 1030392354 /nfs/dbraw/zinc/39/23/54/1030392354.db2.gz FRGMFFHRGSLYJX-UHFFFAOYSA-N -1 0 386.726 3.946 20 5 GHBDRM CC[C@H](Nc1cccnc1Cl)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001152449404 1031247774 /nfs/dbraw/zinc/24/77/74/1031247774.db2.gz ZKRPZLNMNOCCCP-VIFPVBQESA-N -1 0 385.207 3.831 20 5 GHBDRM CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@H]2Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225622319 1031514614 /nfs/dbraw/zinc/51/46/14/1031514614.db2.gz HCNRRUDKVMXZLM-BEFAXECRSA-N -1 0 378.425 3.859 20 5 GHBDRM CC(C)Oc1ccc(COc2[nH]ccc(=O)c2[N+](=O)[O-])cc1Br ZINC001225664533 1031528673 /nfs/dbraw/zinc/52/86/73/1031528673.db2.gz QGLVSWQKEWGBDJ-UHFFFAOYSA-N -1 0 383.198 3.824 20 5 GHBDRM CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c2ccccc21 ZINC001153455022 1031599146 /nfs/dbraw/zinc/59/91/46/1031599146.db2.gz GWPZMBFALGGGEC-AWEZNQCLSA-N -1 0 399.403 3.778 20 5 GHBDRM O=C([N-]c1nc(-c2cccnc2Cl)ns1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001277396016 1033540764 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0 380.813 3.609 20 5 GHBDRM CCCOc1ccc(-c2nnc(-c3c[n-]c4ccc([N+](=O)[O-])cc4c3=O)o2)cc1 ZINC001256240311 1041672006 /nfs/dbraw/zinc/67/20/06/1041672006.db2.gz FNKGRJDVOQUNFJ-UHFFFAOYSA-N -1 0 392.371 3.942 20 5 GHBDRM CC[C@@H](C)C[C@@H](C)NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001293944033 1044391850 /nfs/dbraw/zinc/39/18/50/1044391850.db2.gz VOWRRWJNEUYJAP-GHMZBOCLSA-N -1 0 380.832 3.694 20 5 GHBDRM O=S(=O)(CCc1ccccc1F)[N-]c1cccc2nc3ccccc3nc12 ZINC001259786831 1045303945 /nfs/dbraw/zinc/30/39/45/1045303945.db2.gz RABXDXZYQASCNJ-UHFFFAOYSA-N -1 0 381.432 3.907 20 5 GHBDRM O=C(N[C@@H](c1cccs1)C1(CO)CCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001299967247 1046119575 /nfs/dbraw/zinc/11/95/75/1046119575.db2.gz SALZLCATHSIGSU-HNNXBMFYSA-N -1 0 396.852 3.649 20 5 GHBDRM O=C(Nc1n[nH]c(-c2ccc(Cl)cc2)n1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001306473275 1048687489 /nfs/dbraw/zinc/68/74/89/1048687489.db2.gz MZMLPDFGWQYKEK-UHFFFAOYSA-N -1 0 394.174 3.645 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCOC[C@@H]1c1cccc(Br)c1 ZINC001307933068 1049704856 /nfs/dbraw/zinc/70/48/56/1049704856.db2.gz LVSZFGZIJSTTFC-QGZVFWFLSA-N -1 0 393.237 3.636 20 5 GHBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC001309325489 1050594398 /nfs/dbraw/zinc/59/43/98/1050594398.db2.gz CZWMVDMYTNEQIJ-MRXNPFEDSA-N -1 0 395.868 3.853 20 5 GHBDRM C[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2C1 ZINC001318239893 1054518562 /nfs/dbraw/zinc/51/85/62/1054518562.db2.gz BWENLVINUXUSOO-QMMMGPOBSA-N -1 0 387.870 3.630 20 5 GHBDRM COc1cc(F)cc(F)c1S(=O)(=O)[N-]c1cc([N+](=O)[O-])c(Cl)cc1C ZINC001318975368 1054974233 /nfs/dbraw/zinc/97/42/33/1054974233.db2.gz UHMHKCWQFWLQDB-UHFFFAOYSA-N -1 0 392.767 3.644 20 5 GHBDRM CC(C)(C)OC(=O)C1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC=CC1 ZINC001446826402 1059873444 /nfs/dbraw/zinc/87/34/44/1059873444.db2.gz DDAAYNFOXHYZAJ-UHFFFAOYSA-N -1 0 382.800 3.570 20 5 GHBDRM O=C(NC/C=C\c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC001450113752 1060533868 /nfs/dbraw/zinc/53/38/68/1060533868.db2.gz TVCQNVJMAVDVHV-IHWYPQMZSA-N -1 0 377.194 3.506 20 5 GHBDRM O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001450537367 1060612587 /nfs/dbraw/zinc/61/25/87/1060612587.db2.gz URXFRPOBJGNQCN-AULYBMBSSA-N -1 0 391.221 3.739 20 5 GHBDRM O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001545852972 1062043170 /nfs/dbraw/zinc/04/31/70/1062043170.db2.gz CPIAWWNBLYIDOA-LRDDRELGSA-N -1 0 390.823 3.852 20 5 GHBDRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001458386955 1063777094 /nfs/dbraw/zinc/77/70/94/1063777094.db2.gz WSLDMBNGPSAWSC-UHFFFAOYSA-N -1 0 393.325 3.702 20 5 GHBDRM CC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001463798567 1064627332 /nfs/dbraw/zinc/62/73/32/1064627332.db2.gz VIBODWAIAIIYJJ-WDEREUQCSA-N -1 0 378.853 3.882 20 5 GHBDRM COC(=O)c1c(C)c(C)sc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001300030559 1065065563 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KFVQENJNIOLGOA-UHFFFAOYSA-N -1 0 385.601 3.898 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ncccc1NCC1CCC1 ZINC001546162544 1067290648 /nfs/dbraw/zinc/29/06/48/1067290648.db2.gz NPJYHNLHFPJGCX-UHFFFAOYSA-N -1 0 376.800 3.813 20 5 GHBDRM CO[C@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])c(Cl)cc1C)C1CCCC1 ZINC000849308050 1067793797 /nfs/dbraw/zinc/79/37/97/1067793797.db2.gz MBZUXBDSBQIOLB-OAHLLOKOSA-N -1 0 376.862 3.504 20 5 GHBDRM CC(=O)c1ccc(Nc2cc(F)cc(C[N-]C(=O)C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC001472847288 1073691629 /nfs/dbraw/zinc/69/16/29/1073691629.db2.gz UCZSDFKNMRCQCD-UHFFFAOYSA-N -1 0 399.300 3.859 20 5 GHBDRM Cc1cccc(C2([N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CCCC2)c1 ZINC001474925172 1074634526 /nfs/dbraw/zinc/63/45/26/1074634526.db2.gz KWGZQGSJVUOMLE-UHFFFAOYSA-N -1 0 378.425 3.790 20 5 GHBDRM COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000820738656 598045701 /nfs/dbraw/zinc/04/57/01/598045701.db2.gz QWUMBNQBZLROMO-UHFFFAOYSA-N -1 0 390.417 3.592 20 5 GHBDRM CC[C@H](Nc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC000736923399 599707128 /nfs/dbraw/zinc/70/71/28/599707128.db2.gz GGOPKOLLIPGJFA-DOMZBBRYSA-N -1 0 377.441 3.569 20 5 GHBDRM COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1SC ZINC000737905488 599901696 /nfs/dbraw/zinc/90/16/96/599901696.db2.gz JXSPXJYNXRFSCZ-UHFFFAOYSA-N -1 0 398.343 3.554 20 5 GHBDRM O=C([O-])c1cc(C(=O)N(Cc2cscn2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000738670114 599904624 /nfs/dbraw/zinc/90/46/24/599904624.db2.gz SDGNXZJOWYGUMV-UHFFFAOYSA-N -1 0 383.385 3.597 20 5 GHBDRM C[C@H](OC(=O)c1cccc(NC(=O)[O-])c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000736697730 599998653 /nfs/dbraw/zinc/99/86/53/599998653.db2.gz NQSOBBGVQOKUIB-JTQLQIEISA-N -1 0 398.331 3.653 20 5 GHBDRM COc1ccc(C(=O)[O-])c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000737942713 600001681 /nfs/dbraw/zinc/00/16/81/600001681.db2.gz KYUCTFKRDYQVKQ-UHFFFAOYSA-N -1 0 399.384 3.677 20 5 GHBDRM 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ZINC000549607188 843476773 /nfs/dbraw/zinc/47/67/73/843476773.db2.gz ITOIOHSFBMZBOL-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccn([C@@H](C)c2ccccc2)n1 ZINC000610734028 843788227 /nfs/dbraw/zinc/78/82/27/843788227.db2.gz QUWJNGGHAZMHFC-AWEZNQCLSA-N -1 0 386.433 3.510 20 5 GHBDRM O=C([O-])CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000610845773 844668517 /nfs/dbraw/zinc/66/85/17/844668517.db2.gz CWLZKJLWXLNGEB-UHFFFAOYSA-N -1 0 389.433 3.578 20 5 GHBDRM CC1(c2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)no2)CCCC1 ZINC000432961708 844755601 /nfs/dbraw/zinc/75/56/01/844755601.db2.gz SSHSNEKQGUEUAD-UHFFFAOYSA-N -1 0 385.829 3.869 20 5 GHBDRM CCSCC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000437697972 845382838 /nfs/dbraw/zinc/38/28/38/845382838.db2.gz VFCHPHZLCBPFQO-MRVPVSSYSA-N -1 0 387.310 3.712 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cc(-c2ccccc2F)on1 ZINC000433128922 845448771 /nfs/dbraw/zinc/44/87/71/845448771.db2.gz MQSZZKKXYMMNJQ-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ncc(C)c(-c3ccccc3)n2)c1 ZINC000433141355 845491240 /nfs/dbraw/zinc/49/12/40/845491240.db2.gz OGTCJYSXWUAKFY-UHFFFAOYSA-N -1 0 398.444 3.778 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000071826192 845559440 /nfs/dbraw/zinc/55/94/40/845559440.db2.gz FLVFHWPSWRCEPN-UHFFFAOYSA-N -1 0 398.440 3.995 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1Cc1ccccc1 ZINC000604038290 861616667 /nfs/dbraw/zinc/61/66/67/861616667.db2.gz TZVYTFOXUCGNLT-UHFFFAOYSA-N -1 0 389.458 3.751 20 5 GHBDRM CCc1cccc(C)c1N=c1[n-]nc(Sc2c([N+](=O)[O-])c(C)nn2C)s1 ZINC000513639437 846179941 /nfs/dbraw/zinc/17/99/41/846179941.db2.gz BTPIHHKVIRWWNA-UHFFFAOYSA-N -1 0 390.494 3.676 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]c(C(F)F)nc2c1 ZINC000135506133 846502420 /nfs/dbraw/zinc/50/24/20/846502420.db2.gz SYSKTQFXBNNKIS-UHFFFAOYSA-N 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C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1(c2ccccc2)CCCC1 ZINC001211548725 847583896 /nfs/dbraw/zinc/58/38/96/847583896.db2.gz FJTVVZNWOLJPEK-AWEZNQCLSA-N -1 0 392.452 3.913 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000158648416 847823453 /nfs/dbraw/zinc/82/34/53/847823453.db2.gz YMNPQAOYVHJESZ-UHFFFAOYSA-N -1 0 396.730 3.790 20 5 GHBDRM Cc1nc(-c2cccc([N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])c2)oc1C ZINC000121978039 848602179 /nfs/dbraw/zinc/60/21/79/848602179.db2.gz VKDIGTXYBGPWME-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)c2C1 ZINC000486841278 850151528 /nfs/dbraw/zinc/15/15/28/850151528.db2.gz YLSIWOXFKSUICL-UHFFFAOYSA-N -1 0 393.440 3.506 20 5 GHBDRM COCCC[C@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000519200155 850750466 /nfs/dbraw/zinc/75/04/66/850750466.db2.gz VYGXVWSOMVLPOM-CQSZACIVSA-N -1 0 392.839 3.894 20 5 GHBDRM CC(C)Cn1ncc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1C1CC1 ZINC000515386101 850974633 /nfs/dbraw/zinc/97/46/33/850974633.db2.gz HWEPKGAQJINFKD-UHFFFAOYSA-N -1 0 378.816 3.936 20 5 GHBDRM Cc1cc(Br)ccc1CN(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000434344800 851019834 /nfs/dbraw/zinc/01/98/34/851019834.db2.gz QBEZHPDODQJISH-UHFFFAOYSA-N -1 0 379.210 3.644 20 5 GHBDRM O=C([O-])c1csc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000426638495 851093794 /nfs/dbraw/zinc/09/37/94/851093794.db2.gz JLLVJDZEXFEPFR-UHFFFAOYSA-N -1 0 375.431 3.768 20 5 GHBDRM C[NH+](C)[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000910375185 851163304 /nfs/dbraw/zinc/16/33/04/851163304.db2.gz ZOKDEKUDNQKMIP-KRWDZBQOSA-N -1 0 377.828 3.590 20 5 GHBDRM Cc1ccc(CS(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)cc1F ZINC000184224881 851745968 /nfs/dbraw/zinc/74/59/68/851745968.db2.gz JCXCTSBPIQCSJU-UHFFFAOYSA-N -1 0 375.381 3.532 20 5 GHBDRM CC(C)(C)c1ccc(CNC(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000604534270 862285352 /nfs/dbraw/zinc/28/53/52/862285352.db2.gz LHCTYIBQLWZFNU-NRFANRHFSA-N -1 0 399.447 3.692 20 5 GHBDRM COc1ccc(Cl)cc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n[nH]1 ZINC000101678329 851813247 /nfs/dbraw/zinc/81/32/47/851813247.db2.gz QIADUHKZBGULHB-UHFFFAOYSA-N -1 0 388.767 3.605 20 5 GHBDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000262048876 851968652 /nfs/dbraw/zinc/96/86/52/851968652.db2.gz FGKMZIDJCZAWJR-UHFFFAOYSA-N -1 0 386.404 3.916 20 5 GHBDRM CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506196296 852184622 /nfs/dbraw/zinc/18/46/22/852184622.db2.gz XPYTZBQJJKOJKN-UHFFFAOYSA-N -1 0 381.388 3.660 20 5 GHBDRM O=[N+]([O-])c1ccc(Cc2noc(-c3cc(F)ccc3[O-])n2)c(Br)c1 ZINC000436938918 852522067 /nfs/dbraw/zinc/52/20/67/852522067.db2.gz LTBMZGSACOWYEO-UHFFFAOYSA-N -1 0 394.156 3.843 20 5 GHBDRM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436967584 852539170 /nfs/dbraw/zinc/53/91/70/852539170.db2.gz QMELGVQXTRHRTR-ZDUSSCGKSA-N -1 0 392.795 3.764 20 5 GHBDRM O=c1nc(C=Cc2cc([O-])ccc2[N+](=O)[O-])[nH]c2sc(Br)cc21 ZINC000436973723 852558441 /nfs/dbraw/zinc/55/84/41/852558441.db2.gz UUKBEUDBGBCGGF-RJRFIUFISA-N -1 0 394.206 3.944 20 5 GHBDRM Cc1nc(C)c(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])n2)s1 ZINC000436982150 852569696 /nfs/dbraw/zinc/56/96/96/852569696.db2.gz SVWATTFHGIDOBM-UHFFFAOYSA-N -1 0 376.419 3.750 20 5 GHBDRM C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506361196 852843162 /nfs/dbraw/zinc/84/31/62/852843162.db2.gz HEGXSSXIBZXAKN-GTNSWQLSSA-N -1 0 376.796 3.556 20 5 GHBDRM CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])c2ccccc21 ZINC000593859904 862401744 /nfs/dbraw/zinc/40/17/44/862401744.db2.gz JARCHWLDYAXZAV-JKSUJKDBSA-N -1 0 398.415 3.601 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000437336580 853022946 /nfs/dbraw/zinc/02/29/46/853022946.db2.gz HJOUIKMULCVCIQ-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM Cc1cc(N(C)C)ccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000518329438 853214789 /nfs/dbraw/zinc/21/47/89/853214789.db2.gz XAGAKZBPFKIOFD-UHFFFAOYSA-N -1 0 383.857 3.732 20 5 GHBDRM CCCCCc1n[n-]c(=NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000437539500 853242649 /nfs/dbraw/zinc/24/26/49/853242649.db2.gz SAIHMEZXRCMDFI-UHFFFAOYSA-N -1 0 389.481 3.797 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000519890468 853587294 /nfs/dbraw/zinc/58/72/94/853587294.db2.gz BJFAGDBZYRKKMQ-GDBMZVCRSA-N -1 0 378.425 3.739 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)c(C)s1 ZINC000757921600 862495206 /nfs/dbraw/zinc/49/52/06/862495206.db2.gz QRIDFMWXBRTAEE-UHFFFAOYSA-N -1 0 391.268 3.836 20 5 GHBDRM Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000589558056 855025507 /nfs/dbraw/zinc/02/55/07/855025507.db2.gz UQGHAIFEXSUKJD-UHFFFAOYSA-N -1 0 389.355 3.735 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)c(C)n1 ZINC000589595402 855077002 /nfs/dbraw/zinc/07/70/02/855077002.db2.gz YNCZYUSIDMVZKL-UHFFFAOYSA-N -1 0 399.428 3.775 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(-c3cccc(OCc4ccccc4)n3)no2)cc1[O-] ZINC000590279929 855345601 /nfs/dbraw/zinc/34/56/01/855345601.db2.gz FCAAFZSRAFNCBX-UHFFFAOYSA-N -1 0 390.355 3.991 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)Nc2ccc3oc(CO)cc3c2)cc1[N+](=O)[O-] ZINC000590597790 855504535 /nfs/dbraw/zinc/50/45/35/855504535.db2.gz VPWWPANDTJMMKO-UHFFFAOYSA-N -1 0 396.808 3.596 20 5 GHBDRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1Cl ZINC000542724547 855563159 /nfs/dbraw/zinc/56/31/59/855563159.db2.gz OJTJABJRADFOEA-UHFFFAOYSA-N -1 0 382.825 3.868 20 5 GHBDRM CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184732440 855675146 /nfs/dbraw/zinc/67/51/46/855675146.db2.gz ZFNBUYKOCKEQRI-QGZVFWFLSA-N -1 0 380.404 3.647 20 5 GHBDRM O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184762706 855783737 /nfs/dbraw/zinc/78/37/37/855783737.db2.gz YTFSCOXHWNGLMN-ZDUSSCGKSA-N -1 0 381.388 3.848 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3s2)c([N+](=O)[O-])c1 ZINC000171152471 855991040 /nfs/dbraw/zinc/99/10/40/855991040.db2.gz PSKWHXMGQYSMNI-UHFFFAOYSA-N -1 0 399.837 3.667 20 5 GHBDRM Cc1c(NC(=O)CC2(CC(=O)[O-])CCC2)cc(Br)cc1[N+](=O)[O-] ZINC000591531257 856093871 /nfs/dbraw/zinc/09/38/71/856093871.db2.gz JUWKONUIIRXMSV-UHFFFAOYSA-N -1 0 385.214 3.639 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc4n3CCCC4)cc2)cc1 ZINC000171779259 856261445 /nfs/dbraw/zinc/26/14/45/856261445.db2.gz TUCPVUMRZFDRKC-UHFFFAOYSA-N -1 0 398.444 3.595 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c2ncccc12 ZINC000184838668 856454165 /nfs/dbraw/zinc/45/41/65/856454165.db2.gz YGPSNLMBDMUVIL-UHFFFAOYSA-N -1 0 379.344 3.881 20 5 GHBDRM CCc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000507837934 856517031 /nfs/dbraw/zinc/51/70/31/856517031.db2.gz PRILLUSBDZSQCH-AWEZNQCLSA-N -1 0 396.852 3.613 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)ccc1[N+](=O)[O-] ZINC000427766491 856711059 /nfs/dbraw/zinc/71/10/59/856711059.db2.gz ZGFNBMREESLMHC-UHFFFAOYSA-N -1 0 394.302 3.742 20 5 GHBDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000592381559 856826652 /nfs/dbraw/zinc/82/66/52/856826652.db2.gz VHNCPXDUNQYRPV-OLZOCXBDSA-N -1 0 386.429 3.729 20 5 GHBDRM Cc1ccsc1-c1nsc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000129054768 856954049 /nfs/dbraw/zinc/95/40/49/856954049.db2.gz RDCQYSBZPUCUDV-UHFFFAOYSA-N -1 0 396.475 3.592 20 5 GHBDRM O=C([O-])c1ccnc(N2CCC([C@@H](F)c3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000592979549 857147070 /nfs/dbraw/zinc/14/70/70/857147070.db2.gz KFEZXNRNERBBGS-OAHLLOKOSA-N -1 0 377.347 3.754 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)c1C ZINC000486072409 857406782 /nfs/dbraw/zinc/40/67/82/857406782.db2.gz WOFZBVWBYPUQQP-UHFFFAOYSA-N -1 0 388.445 3.995 20 5 GHBDRM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)cc(Br)c1[O-] ZINC000174920792 857407053 /nfs/dbraw/zinc/40/70/53/857407053.db2.gz FHBIYZVCHPGMRQ-UHFFFAOYSA-N -1 0 385.601 3.898 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000509216117 862913677 /nfs/dbraw/zinc/91/36/77/862913677.db2.gz RIWSSHTWFGEPBK-UHFFFAOYSA-N -1 0 377.328 3.954 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c(C(F)(F)F)c1 ZINC000161607002 858011918 /nfs/dbraw/zinc/01/19/18/858011918.db2.gz KMSDRACMLHMDTG-UHFFFAOYSA-N -1 0 385.323 3.896 20 5 GHBDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n(C(C)(C)C)n1 ZINC000066254223 858016687 /nfs/dbraw/zinc/01/66/87/858016687.db2.gz QTTNIMYANRZJMC-UHFFFAOYSA-N -1 0 386.499 3.706 20 5 GHBDRM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000313721632 858265463 /nfs/dbraw/zinc/26/54/63/858265463.db2.gz AROFYWJUSBKYQI-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000594737282 858268538 /nfs/dbraw/zinc/26/85/38/858268538.db2.gz WXERODDILJLJBF-APPZFPTMSA-N -1 0 386.248 3.703 20 5 GHBDRM COc1ccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c(OC2CCCC2)c1 ZINC000575049130 858504457 /nfs/dbraw/zinc/50/44/57/858504457.db2.gz SGEODAVOPOVAPE-UHFFFAOYSA-N -1 0 387.392 3.630 20 5 GHBDRM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280855135 858884635 /nfs/dbraw/zinc/88/46/35/858884635.db2.gz CWRQDLGKRXEBNF-GFCCVEGCSA-N -1 0 392.795 3.764 20 5 GHBDRM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1C ZINC000060443628 859273807 /nfs/dbraw/zinc/27/38/07/859273807.db2.gz OBRGKWCTMJQBKY-UHFFFAOYSA-N -1 0 391.449 3.588 20 5 GHBDRM Cc1cccc(CN(Cc2ccccn2)C(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000185111304 859339796 /nfs/dbraw/zinc/33/97/96/859339796.db2.gz DBYHABFAPSADGN-UHFFFAOYSA-N -1 0 377.400 3.846 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N(CCC(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000611463385 859764553 /nfs/dbraw/zinc/76/45/53/859764553.db2.gz BKTGHCCGSHJKBG-UHFFFAOYSA-N -1 0 380.466 3.812 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000611555499 859804029 /nfs/dbraw/zinc/80/40/29/859804029.db2.gz PYMIHIMBKGXYRD-DTORHVGOSA-N -1 0 386.248 3.503 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)cc1[N+](=O)[O-] ZINC000318596990 859850310 /nfs/dbraw/zinc/85/03/10/859850310.db2.gz MOPNGFYLWBIBOY-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cn1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000474432675 860081251 /nfs/dbraw/zinc/08/12/51/860081251.db2.gz HXOLEFDXDJWDSI-UHFFFAOYSA-N -1 0 390.758 3.746 20 5 GHBDRM CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000765653874 860379788 /nfs/dbraw/zinc/37/97/88/860379788.db2.gz BBRSHTVMBDGVOH-UHFFFAOYSA-N -1 0 386.376 3.851 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2csc([N-]S(=O)(=O)Cc3ccccc3F)n2)c1 ZINC000186567858 860503157 /nfs/dbraw/zinc/50/31/57/860503157.db2.gz QTXFUSHLHBLYRU-UHFFFAOYSA-N -1 0 393.421 3.799 20 5 GHBDRM Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])n[nH]2)cc1C ZINC000603778985 861165352 /nfs/dbraw/zinc/16/53/52/861165352.db2.gz GNYHAVZRHQGZAG-UHFFFAOYSA-N -1 0 386.433 3.711 20 5 GHBDRM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000734155149 864059662 /nfs/dbraw/zinc/05/96/62/864059662.db2.gz WKNOHTPPWHXIOY-VIFPVBQESA-N -1 0 397.865 3.897 20 5 GHBDRM CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000734738140 864414542 /nfs/dbraw/zinc/41/45/42/864414542.db2.gz YZKAFLIGBUWWCT-HNNXBMFYSA-N -1 0 382.482 3.705 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)c1C ZINC000736421072 865202437 /nfs/dbraw/zinc/20/24/37/865202437.db2.gz QAWILRSDWNYTGM-UHFFFAOYSA-N -1 0 399.812 3.882 20 5 GHBDRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c1 ZINC000736419690 865202572 /nfs/dbraw/zinc/20/25/72/865202572.db2.gz XUJYBAPPYQOGEH-UHFFFAOYSA-N -1 0 398.412 3.641 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1[N+](=O)[O-] ZINC000736418322 865202838 /nfs/dbraw/zinc/20/28/38/865202838.db2.gz FFKSSGMGVXRQSS-UHFFFAOYSA-N -1 0 394.211 3.732 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000736419993 865203138 /nfs/dbraw/zinc/20/31/38/865203138.db2.gz AEESPPKWJCFCDG-UHFFFAOYSA-N -1 0 385.785 3.574 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(C)cc3C)s2)c([N+](=O)[O-])c1 ZINC000608926777 865830604 /nfs/dbraw/zinc/83/06/04/865830604.db2.gz XYNNLLLNQUFKEZ-UHFFFAOYSA-N -1 0 377.447 3.931 20 5 GHBDRM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000609027598 865904701 /nfs/dbraw/zinc/90/47/01/865904701.db2.gz YUEGTQCRTPFVBI-UHFFFAOYSA-N -1 0 380.813 3.542 20 5 GHBDRM O=C(Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000303293508 866144654 /nfs/dbraw/zinc/14/46/54/866144654.db2.gz HLGVOPCGNGGVIX-UHFFFAOYSA-N -1 0 393.334 3.630 20 5 GHBDRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456153021 866179783 /nfs/dbraw/zinc/17/97/83/866179783.db2.gz WFIWIXSUBILMIJ-LLVKDONJSA-N -1 0 380.322 3.738 20 5 GHBDRM O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000444534744 866870284 /nfs/dbraw/zinc/87/02/84/866870284.db2.gz JIEMYQGDZQKTQI-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000456715515 867012421 /nfs/dbraw/zinc/01/24/21/867012421.db2.gz JHNCEJKVYHPAFF-UHFFFAOYSA-N -1 0 376.359 3.674 20 5 GHBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)c(F)c1 ZINC000742031342 867020232 /nfs/dbraw/zinc/02/02/32/867020232.db2.gz PEAYLSGWUHQIMQ-UHFFFAOYSA-N -1 0 398.387 3.995 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)ccc1[N+](=O)[O-] ZINC000523727928 867858566 /nfs/dbraw/zinc/85/85/66/867858566.db2.gz VJBGTMXKCQUIHW-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM CN(C)c1cc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)c2ccccc2n1 ZINC000445231736 867980260 /nfs/dbraw/zinc/98/02/60/867980260.db2.gz FKXBLOSYPIGMPU-UHFFFAOYSA-N -1 0 377.360 3.632 20 5 GHBDRM COc1cc(Cc2noc(-c3cc(Cl)ccc3[O-])n2)c([N+](=O)[O-])c(OC)c1 ZINC000445818938 869030065 /nfs/dbraw/zinc/03/00/65/869030065.db2.gz OFPIHRIQWLBLKQ-UHFFFAOYSA-N -1 0 391.767 3.612 20 5 GHBDRM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000462355108 869284385 /nfs/dbraw/zinc/28/43/85/869284385.db2.gz XHBVLDGSNYFXJS-VIFPVBQESA-N -1 0 396.277 3.788 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(F)cc2)nc1 ZINC000121671456 870087569 /nfs/dbraw/zinc/08/75/69/870087569.db2.gz KZXDKJLMIHAYLF-UHFFFAOYSA-N -1 0 389.364 3.722 20 5 GHBDRM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000525185045 870126761 /nfs/dbraw/zinc/12/67/61/870126761.db2.gz YHFUUQXIKQARLH-VIFPVBQESA-N -1 0 392.330 3.792 20 5 GHBDRM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1Cl ZINC000181198160 870256410 /nfs/dbraw/zinc/25/64/10/870256410.db2.gz FPIKOWDPJMNTDT-UHFFFAOYSA-N -1 0 382.825 3.868 20 5 GHBDRM Cc1cccc([C@@H]([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C(F)(F)F)c1 ZINC000546783367 870592463 /nfs/dbraw/zinc/59/24/63/870592463.db2.gz WBHFTFTYAWRNHC-OAHLLOKOSA-N -1 0 388.367 3.626 20 5 GHBDRM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000447008527 870861685 /nfs/dbraw/zinc/86/16/85/870861685.db2.gz VYBGUCPTXLYSPK-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM Cc1cc(C)cc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000539101208 871318877 /nfs/dbraw/zinc/31/88/77/871318877.db2.gz RBLYJOVUXIOKEW-SFHVURJKSA-N -1 0 397.431 3.551 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc2cccnc21 ZINC000794060941 882553388 /nfs/dbraw/zinc/55/33/88/882553388.db2.gz ROOPXRYNXQZJFF-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1F)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000102220449 872761100 /nfs/dbraw/zinc/76/11/00/872761100.db2.gz LTTAGBCWQFQAOB-UHFFFAOYSA-N -1 0 387.348 3.838 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3oc(C(F)(F)F)nc32)s1 ZINC000191961588 882684477 /nfs/dbraw/zinc/68/44/77/882684477.db2.gz RQWKIQWBUFKCHV-UHFFFAOYSA-N -1 0 393.324 3.617 20 5 GHBDRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448255758 873101281 /nfs/dbraw/zinc/10/12/81/873101281.db2.gz LNCCMEFGINRLKZ-UHFFFAOYSA-N -1 0 388.305 3.745 20 5 GHBDRM Cc1cc(S(=O)(=O)Nc2c(C(=O)[O-])cccc2C(C)C)cc([N+](=O)[O-])c1F ZINC000768265914 873197888 /nfs/dbraw/zinc/19/78/88/873197888.db2.gz HTMHRSNRQRMZQV-UHFFFAOYSA-N -1 0 396.396 3.665 20 5 GHBDRM CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000768891498 873651846 /nfs/dbraw/zinc/65/18/46/873651846.db2.gz NZVHSRATVXEUAP-UHFFFAOYSA-N -1 0 378.378 3.523 20 5 GHBDRM CC(C)(C)OC(=O)Nc1ccccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768861770 873664782 /nfs/dbraw/zinc/66/47/82/873664782.db2.gz CSFWWQGYQSAXJA-UHFFFAOYSA-N -1 0 399.450 3.804 20 5 GHBDRM Cc1cc(Br)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)s1 ZINC000460441078 873672377 /nfs/dbraw/zinc/67/23/77/873672377.db2.gz SIVDWIDQHSWIJE-UHFFFAOYSA-N -1 0 377.241 3.528 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000804409602 882800558 /nfs/dbraw/zinc/80/05/58/882800558.db2.gz OQPOIYIIDQNLMU-NRFANRHFSA-N -1 0 392.411 3.676 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000541876576 874448311 /nfs/dbraw/zinc/44/83/11/874448311.db2.gz UUPBVSJCNHRVDG-GFCCVEGCSA-N -1 0 383.429 3.930 20 5 GHBDRM CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000770859293 874892879 /nfs/dbraw/zinc/89/28/79/874892879.db2.gz XLSXPDNLSMBHIB-MRXNPFEDSA-N -1 0 387.392 3.505 20 5 GHBDRM Cc1nc2ccc(Cl)cn2c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000785548630 876101300 /nfs/dbraw/zinc/10/13/00/876101300.db2.gz CATOWYOUMVBQKO-UHFFFAOYSA-N -1 0 394.840 3.622 20 5 GHBDRM CC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)nc1-c1ccccc1 ZINC000193045727 876778611 /nfs/dbraw/zinc/77/86/11/876778611.db2.gz LGOTWQNTBUAVDC-UHFFFAOYSA-N -1 0 383.385 3.879 20 5 GHBDRM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000450986811 877155337 /nfs/dbraw/zinc/15/53/37/877155337.db2.gz ROIXRDXOHFCMDE-UHFFFAOYSA-N -1 0 386.376 3.621 20 5 GHBDRM O=C([O-])c1cccc(/C=C\c2ccnc(-c3cccc([N+](=O)[O-])c3)[n+]2[O-])c1Cl ZINC000787166911 877212208 /nfs/dbraw/zinc/21/22/08/877212208.db2.gz CBNXVDCKCHYDQO-FPLPWBNLSA-N -1 0 397.774 3.812 20 5 GHBDRM Cn1nc(C2CCCCC2)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000477375494 877503856 /nfs/dbraw/zinc/50/38/56/877503856.db2.gz DCWIXKRHFMPNDD-UHFFFAOYSA-N -1 0 398.872 3.830 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000180710994 879189835 /nfs/dbraw/zinc/18/98/35/879189835.db2.gz GQVVMCANYICKED-MRXNPFEDSA-N -1 0 396.321 3.533 20 5 GHBDRM O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000180907580 879482753 /nfs/dbraw/zinc/48/27/53/879482753.db2.gz LBNJVVRFSMPHAO-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccccc1C(F)(F)F ZINC000520156284 879907803 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COc1ccc(-c2csc(CNC(=O)c3cc([O-])ccc3[N+](=O)[O-])c2)cc1 ZINC000556896215 886495094 /nfs/dbraw/zinc/49/50/94/886495094.db2.gz VZOOTJGSAQJGCC-UHFFFAOYSA-N -1 0 384.413 3.968 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)cc1C ZINC000193703543 887263428 /nfs/dbraw/zinc/26/34/28/887263428.db2.gz VMHRSOSQZOXKBK-UHFFFAOYSA-N -1 0 389.477 3.921 20 5 GHBDRM Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cs1 ZINC000794606879 887659505 /nfs/dbraw/zinc/65/95/05/887659505.db2.gz AIJSBLHYQGMEFQ-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)c1 ZINC000194192581 888107044 /nfs/dbraw/zinc/10/70/44/888107044.db2.gz MOFMSNRSZWJPAR-UHFFFAOYSA-N -1 0 388.401 3.705 20 5 GHBDRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000532875999 889137506 /nfs/dbraw/zinc/13/75/06/889137506.db2.gz IPKGMWBMFDEFTA-INIZCTEOSA-N -1 0 397.431 3.534 20 5 GHBDRM Cc1nc(C=Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[nH]c(=O)c1CC(=O)[O-] 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XUQJVYAPYIALNG-UHFFFAOYSA-N -1 0 377.356 3.805 20 5 GHBDRM Cc1cc(S(=O)(=O)Nc2ccc(Oc3cccnc3)cc2)ccc1[N+](=O)[O-] ZINC000563947166 894359399 /nfs/dbraw/zinc/35/93/99/894359399.db2.gz PAFRIEVCOMHDFJ-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM CCc1ccc(NC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])cc1 ZINC001135373315 894468600 /nfs/dbraw/zinc/46/86/00/894468600.db2.gz QXXOVHVRGGUZIE-UHFFFAOYSA-N -1 0 386.795 3.954 20 5 GHBDRM COc1ccc([C@@H]2CCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC001135679373 895033545 /nfs/dbraw/zinc/03/35/45/895033545.db2.gz TZMULJFPRDOVGB-HNNXBMFYSA-N -1 0 376.796 3.940 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Br ZINC000760340200 895228648 /nfs/dbraw/zinc/22/86/48/895228648.db2.gz YRTUSSMUEVHWKA-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM CCCOc1ccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c(OC(F)F)c1 ZINC000566290361 896218560 /nfs/dbraw/zinc/21/85/60/896218560.db2.gz GRWHRWDBUPDYCT-UHFFFAOYSA-N -1 0 397.334 3.690 20 5 GHBDRM CCC(=O)Nc1ccc(C)c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC001136264246 896993811 /nfs/dbraw/zinc/99/38/11/896993811.db2.gz LWFUFCRDKHGESX-UHFFFAOYSA-N -1 0 377.784 3.863 20 5 GHBDRM CC(C)COC[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccco1 ZINC001136545071 898231499 /nfs/dbraw/zinc/23/14/99/898231499.db2.gz ORHRFLWUPXJJFM-ZDUSSCGKSA-N -1 0 382.800 3.691 20 5 GHBDRM COCc1ccc([C@@H]2CCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000570215519 899200337 /nfs/dbraw/zinc/20/03/37/899200337.db2.gz IEZHGTHSKITXSF-ZDUSSCGKSA-N -1 0 380.784 3.671 20 5 GHBDRM Cc1cccc(-c2cnc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])s2)c1 ZINC000571121805 899749018 /nfs/dbraw/zinc/74/90/18/899749018.db2.gz TZFUTXWXSMZWIS-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM Cc1ccc2[nH]c([C@H]3CCCN(c4ccc(CC(=O)[O-])cc4[N+](=O)[O-])C3)nc2c1 ZINC000844209807 900603648 /nfs/dbraw/zinc/60/36/48/900603648.db2.gz VFWWORBAKJRSAE-HNNXBMFYSA-N -1 0 394.431 3.791 20 5 GHBDRM O=C([O-])Cc1ccc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c([N+](=O)[O-])c1 ZINC000844215217 900612883 /nfs/dbraw/zinc/61/28/83/900612883.db2.gz DVVBFAOXFBMHDG-HNNXBMFYSA-N -1 0 385.376 3.514 20 5 GHBDRM COc1ccc([C@H]2C[C@H](Nc3nc(C)cc(C(=O)[O-])c3[N+](=O)[O-])C2)cc1F ZINC000575926080 901481728 /nfs/dbraw/zinc/48/17/28/901481728.db2.gz LJRFCZDKFHBZQZ-HAQNSBGRSA-N -1 0 375.356 3.502 20 5 GHBDRM C[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000577282355 902645289 /nfs/dbraw/zinc/64/52/89/902645289.db2.gz GWAXJNCLJIYFRS-JTQLQIEISA-N -1 0 375.356 3.789 20 5 GHBDRM CCOc1cc(N2CCC(c3ncc(C(=O)[O-])s3)CC2)ccc1[N+](=O)[O-] ZINC000600678145 902815233 /nfs/dbraw/zinc/81/52/33/902815233.db2.gz NJOAUWWTXNSDIG-UHFFFAOYSA-N -1 0 377.422 3.532 20 5 GHBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000578452474 903856905 /nfs/dbraw/zinc/85/69/05/903856905.db2.gz KYVVGDUMAAKRMI-AWEZNQCLSA-N -1 0 395.419 3.601 20 5 GHBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901521878 921197069 /nfs/dbraw/zinc/19/70/69/921197069.db2.gz IRLDCMNFXHBLPK-VIFPVBQESA-N -1 0 391.287 3.742 20 5 GHBDRM O=C([O-])c1ccc(Nc2ccc3nnc(-c4ccc(F)cc4)n3c2)cc1[N+](=O)[O-] ZINC001174503531 907078378 /nfs/dbraw/zinc/07/83/78/907078378.db2.gz DVCDWLBHOQENLS-UHFFFAOYSA-N -1 0 393.334 3.885 20 5 GHBDRM Cn1ccc2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)c21 ZINC000795349636 910020555 /nfs/dbraw/zinc/02/05/55/910020555.db2.gz FZUCSOQUPNAALB-UHFFFAOYSA-N -1 0 383.788 3.680 20 5 GHBDRM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccc([N+](=O)[O-])c(Cl)c1)CC3 ZINC000774114375 911401674 /nfs/dbraw/zinc/40/16/74/911401674.db2.gz JTKDUBNBEJYGNI-YRNVUSSQSA-N -1 0 397.774 3.601 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1onc(C2CCCCC2)c1C ZINC000291014292 914915941 /nfs/dbraw/zinc/91/59/41/914915941.db2.gz WOFYJCWMZOTTQL-UHFFFAOYSA-N -1 0 395.437 3.748 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)cc1Cl ZINC000775070813 914953724 /nfs/dbraw/zinc/95/37/24/914953724.db2.gz KPFOHHIXULUUEU-UHFFFAOYSA-N -1 0 379.196 3.983 20 5 GHBDRM CCc1ccc(CC)c(C([O-])=CS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC001188324494 915889355 /nfs/dbraw/zinc/88/93/55/915889355.db2.gz ITARRWVTKMSFRF-UHFFFAOYSA-N -1 0 375.446 3.685 20 5 GHBDRM Cc1cccc(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 ZINC000775230231 916512584 /nfs/dbraw/zinc/51/25/84/916512584.db2.gz JAGWFXDPWIEVQD-UHFFFAOYSA-N -1 0 394.474 3.522 20 5 GHBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000775240332 916571498 /nfs/dbraw/zinc/57/14/98/916571498.db2.gz KJKMOPNGYUWESY-GFCCVEGCSA-N -1 0 388.511 3.591 20 5 GHBDRM O=C1C(=Cc2ccc([O-])c([N+](=O)[O-])c2)NC(=S)N1c1ccccc1Cl ZINC000015189213 919367193 /nfs/dbraw/zinc/36/71/93/919367193.db2.gz IXDOYQIOXMEYRR-XFFZJAGNSA-N -1 0 375.793 3.627 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000119009279 919602075 /nfs/dbraw/zinc/60/20/75/919602075.db2.gz 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COc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1[N+](=O)[O-] ZINC000543869561 928515092 /nfs/dbraw/zinc/51/50/92/928515092.db2.gz YQVTTXPOCUGNTD-UHFFFAOYSA-N -1 0 394.302 3.562 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1OC(C)C ZINC000466969671 928552451 /nfs/dbraw/zinc/55/24/51/928552451.db2.gz RRJCNPVJERFECY-UHFFFAOYSA-N -1 0 386.451 3.561 20 5 GHBDRM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1Cl ZINC000543950783 928603936 /nfs/dbraw/zinc/60/39/36/928603936.db2.gz BDEYBRZNQAFOMH-UHFFFAOYSA-N -1 0 382.825 3.868 20 5 GHBDRM CC(C)(C)OCc1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000753084796 929196969 /nfs/dbraw/zinc/19/69/69/929196969.db2.gz WCBALQDMYRTOFT-UHFFFAOYSA-N -1 0 382.413 3.850 20 5 GHBDRM O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1cc(Cl)c([O-])cc1Cl ZINC000759033876 930251151 /nfs/dbraw/zinc/25/11/51/930251151.db2.gz ASJYFOGJZICEPT-AWNIVKPZSA-N -1 0 379.155 3.952 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)ccc1[N+](=O)[O-] ZINC000759165450 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C[C@@H]1CC[C@](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)(C(=O)[O-])c2ccccc21 ZINC001594312489 999199440 /nfs/dbraw/zinc/19/94/40/999199440.db2.gz BUASGFGIPKXJLI-XUSGNXJCSA-N -1 0 393.399 3.683 20 5 GHBDRM C[C@@H]1CC[C@](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)(C(=O)[O-])c2ccccc21 ZINC001594312959 999202541 /nfs/dbraw/zinc/20/25/41/999202541.db2.gz HIISXSUEDITKCO-XUSGNXJCSA-N -1 0 393.399 3.683 20 5 GHBDRM Cc1ccc2nc(=O)[n-]c(OC3CCN(c4cccc(F)c4[N+](=O)[O-])CC3)c2c1 ZINC001227345855 1032383845 /nfs/dbraw/zinc/38/38/45/1032383845.db2.gz FTANAKJAHICGGG-UHFFFAOYSA-N -1 0 398.394 3.739 20 5 GHBDRM COC(=O)c1sc([N+](=O)[O-])cc1O[C@H](C(=O)c1ccco1)c1ccco1 ZINC001227541524 1032457414 /nfs/dbraw/zinc/45/74/14/1032457414.db2.gz IDCHRLURYVIRSQ-AWEZNQCLSA-N -1 0 377.330 3.632 20 5 GHBDRM COc1ccccc1[C@H](Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-])C(F)(F)F ZINC001227627438 1032491363 /nfs/dbraw/zinc/49/13/63/1032491363.db2.gz GFVLISQESFQNHM-JTQLQIEISA-N -1 0 391.327 3.503 20 5 GHBDRM Cc1cnc(C2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)s1 ZINC000578072477 1020318351 /nfs/dbraw/zinc/31/83/51/1020318351.db2.gz BUFANEPRJJTBKT-UHFFFAOYSA-N -1 0 381.841 3.739 20 5 GHBDRM Cc1ccc([C@@H](C)NC(=O)N(CC(=O)[O-])[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000578110850 1020329945 /nfs/dbraw/zinc/32/99/45/1020329945.db2.gz WIQGUHPLSGRCEA-HUUCEWRRSA-N -1 0 385.420 3.822 20 5 GHBDRM Cc1cc2nc3nc(=O)[n-]c(O[C@H](C)c4cnc5ccccn54)c3nc2cc1C ZINC001228687268 1033044740 /nfs/dbraw/zinc/04/47/40/1033044740.db2.gz VPBWKWNILFHJOU-CYBMUJFWSA-N -1 0 386.415 3.683 20 5 GHBDRM CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)c3cccc([O-])c3[N+](=O)[O-])cc2C1 ZINC000836844468 1023403387 /nfs/dbraw/zinc/40/33/87/1023403387.db2.gz DKHUHAXOXGQTBZ-UHFFFAOYSA-N -1 0 399.403 3.803 20 5 GHBDRM COc1cccc2c1[C@H](Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-])CCO2 ZINC001228858006 1033139133 /nfs/dbraw/zinc/13/91/33/1033139133.db2.gz AMBQELQUVZZEKQ-LLVKDONJSA-N -1 0 386.282 3.625 20 5 GHBDRM COC(=O)c1cc(Br)c([O-])c(Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC001216483653 1029658067 /nfs/dbraw/zinc/65/80/67/1029658067.db2.gz DRNGTVBAEJFCGP-UHFFFAOYSA-N -1 0 385.145 3.732 20 5 GHBDRM COc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3[O-])n2)cc(Cl)c1OC ZINC001216563853 1029688109 /nfs/dbraw/zinc/68/81/09/1029688109.db2.gz OBBNFRXEVGHZIF-UHFFFAOYSA-N -1 0 377.740 3.688 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1-c1nc(-c2ccc(Br)cc2F)no1 ZINC001216678902 1029728297 /nfs/dbraw/zinc/72/82/97/1029728297.db2.gz XJZWIRDVCRLZTP-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM O=[N+]([O-])c1cc(-c2nc(-c3cc(F)cc(Cl)c3)no2)c([O-])c([N+](=O)[O-])c1 ZINC001216711732 1029900976 /nfs/dbraw/zinc/90/09/76/1029900976.db2.gz KMLVGHDYOWQNGS-UHFFFAOYSA-N -1 0 380.675 3.718 20 5 GHBDRM COc1cc(Cl)c(-c2noc(-c3c([O-])cccc3[N+](=O)[O-])n2)cc1OC ZINC001216845588 1029960527 /nfs/dbraw/zinc/96/05/27/1029960527.db2.gz WTPJZAZRHLHQOK-UHFFFAOYSA-N -1 0 377.740 3.688 20 5 GHBDRM COc1c(F)c(F)ccc1-c1noc(-c2cc([O-])c(Cl)cc2[N+](=O)[O-])n1 ZINC001217101251 1030166426 /nfs/dbraw/zinc/16/64/26/1030166426.db2.gz NPVUJGYSJPDVDF-UHFFFAOYSA-N -1 0 383.694 3.958 20 5 GHBDRM O=C(NC[C@H](O)c1cc2ccccc2s1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001149599768 1030238812 /nfs/dbraw/zinc/23/88/12/1030238812.db2.gz CJIDXULEGPUTDJ-ZDUSSCGKSA-N -1 0 392.820 3.632 20 5 GHBDRM COc1cc(Cl)cc(-c2noc(-c3c[n-]c4ccc([N+](=O)[O-])cc4c3=O)n2)c1 ZINC001217439355 1030393388 /nfs/dbraw/zinc/39/33/88/1030393388.db2.gz WYDGVEJEXXPJQG-UHFFFAOYSA-N -1 0 398.762 3.815 20 5 GHBDRM O=c1c(-c2nc(-c3ccc4ccncc4c3)no2)c[n-]c2ccc([N+](=O)[O-])cc21 ZINC001217439343 1030393606 /nfs/dbraw/zinc/39/36/06/1030393606.db2.gz WFRLNNVSOMBJJV-UHFFFAOYSA-N -1 0 385.339 3.702 20 5 GHBDRM CC(C)Oc1ccccc1-c1noc(-c2cc(=O)c3cc([N+](=O)[O-])ccc3[n-]2)n1 ZINC001217509994 1030452807 /nfs/dbraw/zinc/45/28/07/1030452807.db2.gz RQJGFXHXRBENGX-UHFFFAOYSA-N -1 0 392.371 3.941 20 5 GHBDRM CC(C)=CCc1c([O-])cc(O[C@H]2C[NH2+][C@H](C)C2)c2c(=O)c3cccc(O)c3oc12 ZINC001218040195 1030736536 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YFXSWSFXBBVYFV-GFCCVEGCSA-N -1 0 398.411 3.542 20 5 GHBDRM C[C@H](Oc1c(O)ccc2c(=O)c3c(O)cc(O)cc3oc21)c1ncccc1F ZINC001234749542 1040274159 /nfs/dbraw/zinc/27/41/59/1040274159.db2.gz AMOBFNCJEYGSEP-VIFPVBQESA-N -1 0 383.331 3.737 20 5 GHBDRM Cc1cc(=O)c2c(O[C@@H](C)c3cc4c(cc3[N+](=O)[O-])OCO4)cc([O-])cc2o1 ZINC001234812678 1040342273 /nfs/dbraw/zinc/34/22/73/1040342273.db2.gz CGLFOXVDWGCNJJ-JTQLQIEISA-N -1 0 385.328 3.584 20 5 GHBDRM CCCCOc1cccc(C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])c1 ZINC001462843800 1070590716 /nfs/dbraw/zinc/59/07/16/1070590716.db2.gz WLXKPIMMEAOBFI-UHFFFAOYSA-N -1 0 384.479 3.622 20 5 GHBDRM O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001295674767 1045093347 /nfs/dbraw/zinc/09/33/47/1045093347.db2.gz LTZSTYPKTKSACT-JTQLQIEISA-N -1 0 396.230 3.616 20 5 GHBDRM O=C(NCCc1ccc(Br)cc1Cl)c1cccc([N+](=O)[O-])c1[O-] ZINC001298651298 1045909502 /nfs/dbraw/zinc/90/95/02/1045909502.db2.gz GRNQLQOOLCCLLF-UHFFFAOYSA-N -1 0 399.628 3.689 20 5 GHBDRM O=C(Nc1ncc(Cc2c(F)cccc2F)s1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001300884548 1046224440 /nfs/dbraw/zinc/22/44/40/1046224440.db2.gz JPNQDVQAUSFMGB-UHFFFAOYSA-N -1 0 391.355 3.878 20 5 GHBDRM Cc1ccc([C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C(F)(F)F)o1 ZINC001309628679 1050877792 /nfs/dbraw/zinc/87/77/92/1050877792.db2.gz YIHSLJONHVNWLO-CQSZACIVSA-N -1 0 392.355 3.695 20 5 GHBDRM CN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(C)(C)CC(=O)[O-] ZINC001331049142 1051177521 /nfs/dbraw/zinc/17/75/21/1051177521.db2.gz JYYYXIGQURQCKD-UHFFFAOYSA-N -1 0 385.420 3.532 20 5 GHBDRM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC001337900325 1058320371 /nfs/dbraw/zinc/32/03/71/1058320371.db2.gz DVJQDEINRHTZIY-UHFFFAOYSA-N -1 0 386.433 3.666 20 5 GHBDRM CCOc1ccc(C(=O)Nc2ccc(Br)c([O-])c2)cc1[N+](=O)[O-] ZINC001339753237 1059442964 /nfs/dbraw/zinc/44/29/64/1059442964.db2.gz FPRRENIMLDKMSP-UHFFFAOYSA-N -1 0 381.182 3.714 20 5 GHBDRM CC(C)c1nc([C@@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])no1 ZINC001445211907 1059479360 /nfs/dbraw/zinc/47/93/60/1059479360.db2.gz RGCDCXHECMNJPO-LBPRGKRZSA-N -1 0 394.815 3.828 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc2c(ccc(Br)c2F)[nH]1 ZINC001447262751 1059941719 /nfs/dbraw/zinc/94/17/19/1059941719.db2.gz JPGPULZJQZAIOQ-UHFFFAOYSA-N -1 0 394.156 3.936 20 5 GHBDRM Cn1c2ccccc2nc1[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001464365743 1064972912 /nfs/dbraw/zinc/97/29/12/1064972912.db2.gz SFQFBWUOQOXDFS-KRWDZBQOSA-N -1 0 380.404 3.555 20 5 GHBDRM Nc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1OC(F)(F)F ZINC001466408894 1066137117 /nfs/dbraw/zinc/13/71/17/1066137117.db2.gz LWJKDODNRNBIES-UHFFFAOYSA-N -1 0 391.689 3.687 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1c(F)cccc1-n1cccn1 ZINC001466409131 1066138177 /nfs/dbraw/zinc/13/81/77/1066138177.db2.gz VRESNPNYZGIZGM-UHFFFAOYSA-N -1 0 376.731 3.531 20 5 GHBDRM C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001466628526 1066220792 /nfs/dbraw/zinc/22/07/92/1066220792.db2.gz DRNBSAPRRZCHCC-GUYCJALGSA-N -1 0 391.221 3.979 20 5 GHBDRM Nc1c(Cl)cc(C(=O)Nc2ccc(Br)c([O-])c2)cc1[N+](=O)[O-] ZINC001466898484 1066377162 /nfs/dbraw/zinc/37/71/62/1066377162.db2.gz NZLGXHHBYLSRKV-UHFFFAOYSA-N -1 0 386.589 3.551 20 5 GHBDRM O=C(Nc1ncc(-c2cccnc2)s1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001467915394 1067526409 /nfs/dbraw/zinc/52/64/09/1067526409.db2.gz OHHSOIXXHWVVTM-UHFFFAOYSA-N -1 0 376.781 3.725 20 5 GHBDRM C[C@@H]1[C@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001460302495 1068914703 /nfs/dbraw/zinc/91/47/03/1068914703.db2.gz ZKHLBGDWIGSTJI-MELADBBJSA-N -1 0 379.457 3.519 20 5 GHBDRM CC(C)(C)OC(=O)[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])Cc2ccccc21 ZINC001460412751 1068956787 /nfs/dbraw/zinc/95/67/87/1068956787.db2.gz BKPWWSQGBCPXMU-GOSISDBHSA-N -1 0 384.432 3.742 20 5 GHBDRM O=C(N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001471391783 1073049732 /nfs/dbraw/zinc/04/97/32/1073049732.db2.gz VVVHHDDZUKPDDP-WBVHZDCISA-N -1 0 376.796 3.604 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCCC[C@@H]1c1ncc(Br)cn1 ZINC001473808845 1074154617 /nfs/dbraw/zinc/15/46/17/1074154617.db2.gz KJWSJKKCBCGSDF-OAHLLOKOSA-N -1 0 393.241 3.580 20 5 GHBDRM CC1(C)C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCS1 ZINC001475727953 1075009752 /nfs/dbraw/zinc/00/97/52/1075009752.db2.gz HPVAKNOEBCWYCG-SECBINFHSA-N -1 0 399.321 3.854 20 5 GHBDRM CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736274675 599763408 /nfs/dbraw/zinc/76/34/08/599763408.db2.gz VYPROUNLYSYCJU-KGXGESDWSA-N -1 0 391.424 3.504 20 5 GHBDRM COc1ccc(C[C@H](C)Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000737984404 600008681 /nfs/dbraw/zinc/00/86/81/600008681.db2.gz KMJSYWAEVUBCJZ-XURPKSDJSA-N -1 0 386.404 3.753 20 5 GHBDRM O=C([O-])CCSCc1cccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000739753544 600108246 /nfs/dbraw/zinc/10/82/46/600108246.db2.gz AMBLJRZMEHWOGT-UHFFFAOYSA-N -1 0 375.406 3.947 20 5 GHBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736702806 600116736 /nfs/dbraw/zinc/11/67/36/600116736.db2.gz GRHCKELJXGNGIP-SECBINFHSA-N -1 0 397.742 3.596 20 5 GHBDRM O=C([O-])c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(F)c1 ZINC000740150573 600168453 /nfs/dbraw/zinc/16/84/53/600168453.db2.gz VXCAMEBCFQEUMF-UHFFFAOYSA-N -1 0 387.367 3.675 20 5 GHBDRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736903721 600210941 /nfs/dbraw/zinc/21/09/41/600210941.db2.gz LJGSSEWMVLNTBU-OAHLLOKOSA-N -1 0 376.796 3.698 20 5 GHBDRM O=C([O-])c1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c(OC(F)F)c1 ZINC000740150168 600277180 /nfs/dbraw/zinc/27/71/80/600277180.db2.gz NTFLQZCUQNXKBB-UHFFFAOYSA-N -1 0 391.286 3.628 20 5 GHBDRM O=C([O-])c1ccc2nc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)oc2c1 ZINC000740213133 600278913 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O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000740520301 602678617 /nfs/dbraw/zinc/67/86/17/602678617.db2.gz WEAMBQLAFFAKSD-SMDDNHRTSA-N -1 0 376.438 3.563 20 5 GHBDRM O=C([O-])Nc1ccc(F)c(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000740704292 603141626 /nfs/dbraw/zinc/14/16/26/603141626.db2.gz BHICWIVNBQBOSE-UHFFFAOYSA-N -1 0 390.371 3.968 20 5 GHBDRM CC[C@H](NC(=O)Nc1ccc(NC(=O)[O-])c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000826614079 603681335 /nfs/dbraw/zinc/68/13/35/603681335.db2.gz YXCVZKSHYMDINA-AWEZNQCLSA-N -1 0 388.380 3.966 20 5 GHBDRM CC[C@H](NC(=O)Nc1ccccc1CN(C)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000826614087 604142797 /nfs/dbraw/zinc/14/27/97/604142797.db2.gz ZBMPRMVLZQUUAZ-INIZCTEOSA-N -1 0 386.408 3.977 20 5 GHBDRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000825246384 604260369 /nfs/dbraw/zinc/26/03/69/604260369.db2.gz RGKXPRSDDFZELZ-ZBFHGGJFSA-N -1 0 377.444 3.896 20 5 GHBDRM CCn1c(Sc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])nnc1-c1cccnc1 ZINC000830415724 604279533 /nfs/dbraw/zinc/27/95/33/604279533.db2.gz AQRWKMBUBYDXLS-VURMDHGXSA-N -1 0 397.416 3.517 20 5 GHBDRM O=C([O-])c1csc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 ZINC000762158009 604312532 /nfs/dbraw/zinc/31/25/32/604312532.db2.gz YYXQEFXJUSVSAQ-UHFFFAOYSA-N -1 0 389.158 3.508 20 5 GHBDRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000826102562 604387211 /nfs/dbraw/zinc/38/72/11/604387211.db2.gz BNPFPEMJKIIVJQ-GOSISDBHSA-N -1 0 397.431 3.751 20 5 GHBDRM O=C([O-])c1ccc(COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1F ZINC000833352601 604436610 /nfs/dbraw/zinc/43/66/10/604436610.db2.gz HJHYFDUFIICLKK-UHFFFAOYSA-N -1 0 398.140 3.552 20 5 GHBDRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000825397214 604506957 /nfs/dbraw/zinc/50/69/57/604506957.db2.gz HWMCIXKMEVDGFN-JTQLQIEISA-N -1 0 377.784 3.507 20 5 GHBDRM CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1C(=O)[O-] ZINC000829602651 604659029 /nfs/dbraw/zinc/65/90/29/604659029.db2.gz UFDRJSSZBDQAIH-UHFFFAOYSA-N -1 0 393.193 3.722 20 5 GHBDRM C[C@@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@@H]1C(=O)[O-] ZINC000828404170 604706422 /nfs/dbraw/zinc/70/64/22/604706422.db2.gz ZJIBVKRLXZNJLK-PXAZEXFGSA-N -1 0 386.429 3.539 20 5 GHBDRM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000833444031 604713147 /nfs/dbraw/zinc/71/31/47/604713147.db2.gz JHLZAJMWOZAGFU-UHFFFAOYSA-N -1 0 386.360 3.501 20 5 GHBDRM CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830825142 604795537 /nfs/dbraw/zinc/79/55/37/604795537.db2.gz BZCUEHFPGVJQRT-HNNXBMFYSA-N -1 0 388.729 3.923 20 5 GHBDRM O=C([O-])COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Cl ZINC000833258708 604854302 /nfs/dbraw/zinc/85/43/02/604854302.db2.gz WBZQFEFRTLMAMB-UHFFFAOYSA-N -1 0 390.735 3.710 20 5 GHBDRM C[C@H](C(=O)[O-])[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000833408762 604921659 /nfs/dbraw/zinc/92/16/59/604921659.db2.gz VKDJSEUKQCALBS-SCLBCKFNSA-N -1 0 381.388 3.801 20 5 GHBDRM CC1(C)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC1 ZINC000833560650 605006116 /nfs/dbraw/zinc/00/61/16/605006116.db2.gz RNMVFAAQWANBDA-UHFFFAOYSA-N -1 0 380.466 3.814 20 5 GHBDRM C/C(=C/C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833382336 605364037 /nfs/dbraw/zinc/36/40/37/605364037.db2.gz MDNSOIFEVOSBAP-QQBSYFJQSA-N -1 0 382.416 3.966 20 5 GHBDRM Cc1c(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC000833741633 605396316 /nfs/dbraw/zinc/39/63/16/605396316.db2.gz DTUHCAJCIIHLOE-UHFFFAOYSA-N -1 0 377.784 3.619 20 5 GHBDRM Cc1cc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])ccc1NC(=O)[O-] ZINC000833898270 605401341 /nfs/dbraw/zinc/40/13/41/605401341.db2.gz MOTSFVPDWSKJSI-UHFFFAOYSA-N -1 0 377.784 3.619 20 5 GHBDRM CCCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCN(C(=O)[O-])CC1 ZINC000826866665 605651315 /nfs/dbraw/zinc/65/13/15/605651315.db2.gz PRQJWKDFMIDRGB-AWEZNQCLSA-N -1 0 392.456 3.528 20 5 GHBDRM O=C([O-])N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 ZINC000834016154 605884796 /nfs/dbraw/zinc/88/47/96/605884796.db2.gz ATHSNJLVGZBZHD-UHFFFAOYSA-N -1 0 393.465 3.502 20 5 GHBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ccc(F)cc1C(F)(F)F ZINC000180817366 837572845 /nfs/dbraw/zinc/57/28/45/837572845.db2.gz SLHUGAROAADGFP-UHFFFAOYSA-N -1 0 378.303 3.695 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnccc2-c2cccc(F)c2)c(F)c1 ZINC000176978845 837679357 /nfs/dbraw/zinc/67/93/57/837679357.db2.gz OKOTVBOPODMARE-UHFFFAOYSA-N -1 0 391.355 3.736 20 5 GHBDRM CCCCn1ncc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1C(C)C ZINC000480198582 834970613 /nfs/dbraw/zinc/97/06/13/834970613.db2.gz IKOUQXKMGJDBRN-UHFFFAOYSA-N -1 0 380.470 3.824 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1NC(=O)C(C)(C)C ZINC000120249735 834982654 /nfs/dbraw/zinc/98/26/54/834982654.db2.gz RDKOYQCBAUTKRZ-UHFFFAOYSA-N -1 0 397.478 3.750 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(OC(F)F)c2cccnc12 ZINC000187073542 835001589 /nfs/dbraw/zinc/00/15/89/835001589.db2.gz QBJACMUUQNGMRH-UHFFFAOYSA-N -1 0 395.343 3.545 20 5 GHBDRM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000187081684 835004173 /nfs/dbraw/zinc/00/41/73/835004173.db2.gz KFJNAAJEQPMKIO-GTNSWQLSSA-N -1 0 376.796 3.556 20 5 GHBDRM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000187078535 835004687 /nfs/dbraw/zinc/00/46/87/835004687.db2.gz VCXQPIPRTWVWBP-ZBEGNZNMSA-N -1 0 376.796 3.556 20 5 GHBDRM CC(C)c1csc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000179020600 835321704 /nfs/dbraw/zinc/32/17/04/835321704.db2.gz CWOPPQPALXLARK-UHFFFAOYSA-N -1 0 395.384 3.994 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1csc(-c2c(F)cccc2F)n1 ZINC000536192570 835426099 /nfs/dbraw/zinc/42/60/99/835426099.db2.gz OHDSKMJLBGGRRF-UHFFFAOYSA-N -1 0 377.328 3.954 20 5 GHBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000584011218 835426665 /nfs/dbraw/zinc/42/66/65/835426665.db2.gz DVCBHEQALOBJRZ-CQSZACIVSA-N -1 0 378.837 3.884 20 5 GHBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000410404389 835935804 /nfs/dbraw/zinc/93/58/04/835935804.db2.gz GQBWBFCKHNWNSS-UHFFFAOYSA-N -1 0 392.433 3.633 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1scnc1-c1ccccc1 ZINC000180164377 836474781 /nfs/dbraw/zinc/47/47/81/836474781.db2.gz HADJTMRKHZWWQN-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000610263902 836931765 /nfs/dbraw/zinc/93/17/65/836931765.db2.gz XOWHBZUMQXKJOH-SSDOTTSWSA-N -1 0 394.236 3.546 20 5 GHBDRM COc1ccc(Br)cc1CN(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000549750401 844218417 /nfs/dbraw/zinc/21/84/17/844218417.db2.gz CSSVUYSYZTWZJT-UHFFFAOYSA-N -1 0 381.226 3.704 20 5 GHBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000176271324 837245419 /nfs/dbraw/zinc/24/54/19/837245419.db2.gz CTDLIOGMMWKSTN-UHFFFAOYSA-N -1 0 399.628 3.989 20 5 GHBDRM CCSCc1ccnc([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000414442934 838244909 /nfs/dbraw/zinc/24/49/09/838244909.db2.gz MLMPWJCYPMYZLC-UHFFFAOYSA-N -1 0 381.479 3.661 20 5 GHBDRM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189352811 838260128 /nfs/dbraw/zinc/26/01/28/838260128.db2.gz DDZCVWMKTCWSIY-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM CCc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)onc1C(F)(F)F ZINC000414454494 838301400 /nfs/dbraw/zinc/30/14/00/838301400.db2.gz QVSCVISEQOISFA-UHFFFAOYSA-N -1 0 393.343 3.582 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cccc(OC(F)F)c1 ZINC000131273160 844317659 /nfs/dbraw/zinc/31/76/59/844317659.db2.gz DXNAKWFSWNYCEI-UHFFFAOYSA-N -1 0 378.740 3.650 20 5 GHBDRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)s1 ZINC000473409219 844357633 /nfs/dbraw/zinc/35/76/33/844357633.db2.gz KWIBVMUUHNCHRV-UHFFFAOYSA-N -1 0 397.391 3.716 20 5 GHBDRM Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000126119933 840510092 /nfs/dbraw/zinc/51/00/92/840510092.db2.gz RLMZOLUNYKNHCS-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM CC(=O)Nc1cc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])ccc1Cl ZINC000162384104 840725443 /nfs/dbraw/zinc/72/54/43/840725443.db2.gz RVXRCMYCCLOWEN-UHFFFAOYSA-N -1 0 397.840 3.624 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CN(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000511626777 840856965 /nfs/dbraw/zinc/85/69/65/840856965.db2.gz LUGOXJMUDIMARF-UHFFFAOYSA-N -1 0 385.247 3.992 20 5 GHBDRM CC(C)(c1nnc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)s1)c1ccccc1 ZINC000106921261 841154028 /nfs/dbraw/zinc/15/40/28/841154028.db2.gz BTLJTJNWSOFFCK-UHFFFAOYSA-N -1 0 384.417 3.730 20 5 GHBDRM O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000500073136 841382393 /nfs/dbraw/zinc/38/23/93/841382393.db2.gz GXKIDJIRTKNGHE-UHFFFAOYSA-N -1 0 383.335 3.666 20 5 GHBDRM CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000106008705 841857242 /nfs/dbraw/zinc/85/72/42/841857242.db2.gz XOEKLXYBKYQBOD-UHFFFAOYSA-N -1 0 397.840 3.624 20 5 GHBDRM C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182006802 842178514 /nfs/dbraw/zinc/17/85/14/842178514.db2.gz IMYIWNRTSVWDJS-APPDUMDISA-N -1 0 376.796 3.556 20 5 GHBDRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000585733204 842222776 /nfs/dbraw/zinc/22/27/76/842222776.db2.gz MLSGQRZRWKYPHW-UHFFFAOYSA-N -1 0 394.497 3.551 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000182075482 842625022 /nfs/dbraw/zinc/62/50/22/842625022.db2.gz QQWMDYOMUOIKQN-INIZCTEOSA-N -1 0 396.321 3.533 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000182132533 842943439 /nfs/dbraw/zinc/94/34/39/842943439.db2.gz QYJFMKXZGBSXHM-GFCCVEGCSA-N -1 0 387.461 3.656 20 5 GHBDRM Cc1cc(C(=O)N=c2[n-]nc([C@H]3CCCc4ccccc43)s2)ccc1[N+](=O)[O-] ZINC000432592182 843240354 /nfs/dbraw/zinc/24/03/54/843240354.db2.gz LAMIZBKRZMKTFQ-INIZCTEOSA-N -1 0 394.456 3.897 20 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ZINC000262874584 845638306 /nfs/dbraw/zinc/63/83/06/845638306.db2.gz BQFVHTDPGJGVOI-UHFFFAOYSA-N -1 0 382.416 3.696 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2ccc3cccc(Cl)c3n2)ccc1[N+](=O)[O-] ZINC000182962627 845702221 /nfs/dbraw/zinc/70/22/21/845702221.db2.gz DIYARKIGYDURNP-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000262970426 845730699 /nfs/dbraw/zinc/73/06/99/845730699.db2.gz MQUOHZZKKQEYBL-CJNGLKHVSA-N -1 0 384.388 3.570 20 5 GHBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000263231974 846025799 /nfs/dbraw/zinc/02/57/99/846025799.db2.gz QPGYSOYONKSVHG-RHSMWYFYSA-N -1 0 397.431 3.532 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)ncn2-c1ccccc1 ZINC000431334302 846067666 /nfs/dbraw/zinc/06/76/66/846067666.db2.gz XOSBBKCIVIJTQT-UHFFFAOYSA-N -1 0 394.412 3.735 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c1C ZINC000481564872 861696438 /nfs/dbraw/zinc/69/64/38/861696438.db2.gz DXAVSNMKMBOPDM-UHFFFAOYSA-N -1 0 388.449 3.943 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2cccc(COC3CCOCC3)c2)c1 ZINC000582184296 846612709 /nfs/dbraw/zinc/61/27/09/846612709.db2.gz VUASFNLARRRFNB-UHFFFAOYSA-N -1 0 386.404 3.601 20 5 GHBDRM Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000303500714 861753119 /nfs/dbraw/zinc/75/31/19/861753119.db2.gz AMXQZVQOKZLFKA-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000478647990 847182701 /nfs/dbraw/zinc/18/27/01/847182701.db2.gz VENVHYKUODRRDW-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2OCC(F)F)c1C ZINC000481591256 861807287 /nfs/dbraw/zinc/80/72/87/861807287.db2.gz KCSZAJJEIKWEDF-UHFFFAOYSA-N -1 0 386.376 3.656 20 5 GHBDRM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])c2)n1 ZINC000481610033 861837637 /nfs/dbraw/zinc/83/76/37/861837637.db2.gz IMHKWMMGDXYTES-UHFFFAOYSA-N 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Cc1cc(N2CCC(C(=O)[O-])(C(F)(F)F)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000910471467 851221086 /nfs/dbraw/zinc/22/10/86/851221086.db2.gz PJZHQBHNOYMMLH-UHFFFAOYSA-N -1 0 383.326 3.685 20 5 GHBDRM O=C1CCCc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc21 ZINC000175009654 851306832 /nfs/dbraw/zinc/30/68/32/851306832.db2.gz FHNLQQNQKUVFND-UHFFFAOYSA-N -1 0 380.809 3.568 20 5 GHBDRM O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436634112 852130154 /nfs/dbraw/zinc/13/01/54/852130154.db2.gz JPUUQHCMBOLPOS-CQSZACIVSA-N -1 0 378.331 3.709 20 5 GHBDRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@@H]1C ZINC000517602317 852159251 /nfs/dbraw/zinc/15/92/51/852159251.db2.gz HMNJEVYMONRMFQ-GXTWGEPZSA-N -1 0 391.449 3.615 20 5 GHBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1nc2ccccc2n1C(F)F ZINC000436775310 852310337 /nfs/dbraw/zinc/31/03/37/852310337.db2.gz ZKLSWPMHICUDRM-VIFPVBQESA-N -1 0 376.319 3.536 20 5 GHBDRM CCN(Cc1ccccc1Br)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436779906 852315663 /nfs/dbraw/zinc/31/56/63/852315663.db2.gz AXQUKWVWCRSMBE-UHFFFAOYSA-N -1 0 379.210 3.725 20 5 GHBDRM Cc1coc(-c2cc([N-]S(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])ccc2C)n1 ZINC000150799854 852405197 /nfs/dbraw/zinc/40/51/97/852405197.db2.gz DOTFXRPPRKISFG-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM Cc1nc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])oc1-c1ccc(Cl)cc1 ZINC000436921636 852503395 /nfs/dbraw/zinc/50/33/95/852503395.db2.gz KANDDEVNRNLRIW-UHFFFAOYSA-N -1 0 387.779 3.847 20 5 GHBDRM O=C(Nc1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436963304 852533091 /nfs/dbraw/zinc/53/30/91/852533091.db2.gz GNWXDBZFCGSYAH-UHFFFAOYSA-N -1 0 377.356 3.805 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1OCC1CCOCC1 ZINC000436963632 852535088 /nfs/dbraw/zinc/53/50/88/852535088.db2.gz DSTUZRCAOJOANX-UHFFFAOYSA-N -1 0 386.404 3.667 20 5 GHBDRM COc1ccc(-c2csc(CNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2)cc1 ZINC000436961234 852550985 /nfs/dbraw/zinc/55/09/85/852550985.db2.gz GNCQPTBTFHHDDC-UHFFFAOYSA-N -1 0 384.413 3.968 20 5 GHBDRM O=C(N=c1[n-]nc(CC2CCCCC2)s1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000505987719 852845571 /nfs/dbraw/zinc/84/55/71/852845571.db2.gz TXZHWLZIJYIBAY-UHFFFAOYSA-N -1 0 385.449 3.725 20 5 GHBDRM O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000543734781 852979359 /nfs/dbraw/zinc/97/93/59/852979359.db2.gz ZIIFBKSBBNEDOR-SFHVURJKSA-N -1 0 389.839 3.521 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-c2cn3ccccc3n2)cc1 ZINC000517053429 853291856 /nfs/dbraw/zinc/29/18/56/853291856.db2.gz LJEHTKBFWVZMRD-UHFFFAOYSA-N -1 0 394.412 3.710 20 5 GHBDRM CC(C)(CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000506515194 853424694 /nfs/dbraw/zinc/42/46/94/853424694.db2.gz IYNFPKSQHMEHCO-UHFFFAOYSA-N -1 0 393.237 3.771 20 5 GHBDRM CC(C)(c1n[n-]c(=NC(=O)NCc2ccccc2[N+](=O)[O-])s1)c1ccccc1 ZINC000518580249 853512220 /nfs/dbraw/zinc/51/22/20/853512220.db2.gz OARJJJCSOACBRL-UHFFFAOYSA-N -1 0 397.460 3.516 20 5 GHBDRM CC(C)(C)Oc1cc(N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000517240042 853548079 /nfs/dbraw/zinc/54/80/79/853548079.db2.gz YSIOAGAVAVYFIP-OAHLLOKOSA-N -1 0 376.331 3.616 20 5 GHBDRM C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H](c2ccccc2)O1 ZINC000571330166 853844354 /nfs/dbraw/zinc/84/43/54/853844354.db2.gz HSYMTMARTPPEHV-BDJLRTHQSA-N -1 0 376.796 3.556 20 5 GHBDRM C[C@H]1CCCN(c2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000614539517 853871798 /nfs/dbraw/zinc/87/17/98/853871798.db2.gz BIVFHDQSTDPGMA-ZDUSSCGKSA-N -1 0 383.404 3.782 20 5 GHBDRM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000055688518 854054337 /nfs/dbraw/zinc/05/43/37/854054337.db2.gz OXCNFDJDRKIMAI-UHFFFAOYSA-N -1 0 380.422 3.583 20 5 GHBDRM O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000427617561 855979684 /nfs/dbraw/zinc/97/96/84/855979684.db2.gz IFCVNBFDOWDRQW-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C2CC2)c1 ZINC000574865998 856162476 /nfs/dbraw/zinc/16/24/76/856162476.db2.gz ZMVQGNGNLAUPHE-UHFFFAOYSA-N -1 0 392.481 3.742 20 5 GHBDRM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000281009660 862800170 /nfs/dbraw/zinc/80/01/70/862800170.db2.gz SBEFXXZIKWEGBJ-ZIAGYGMSSA-N -1 0 397.431 3.671 20 5 GHBDRM Cc1ccc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)c2n1 ZINC000184844938 856564489 /nfs/dbraw/zinc/56/44/89/856564489.db2.gz WTFKZQLYXVSRNY-UHFFFAOYSA-N -1 0 394.412 3.800 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ncc(-c2cccnc2)s1 ZINC000508073736 856893187 /nfs/dbraw/zinc/89/31/87/856893187.db2.gz LYEUTSSFATXNNT-UHFFFAOYSA-N -1 0 396.837 3.568 20 5 GHBDRM CC[C@](C)([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000173376649 856896695 /nfs/dbraw/zinc/89/66/95/856896695.db2.gz NRDUKNJCXSBPSE-AWEZNQCLSA-N -1 0 389.886 3.617 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000508113192 856940585 /nfs/dbraw/zinc/94/05/85/856940585.db2.gz QPEBLGROLPRWQH-OAHLLOKOSA-N -1 0 399.350 3.658 20 5 GHBDRM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000508172124 857004707 /nfs/dbraw/zinc/00/47/07/857004707.db2.gz BXXBJPWMNQLZRX-AWEZNQCLSA-N -1 0 397.431 3.876 20 5 GHBDRM Cc1sc([C@@H]2CCCN2c2ccc([N+](=O)[O-])c3ncccc23)nc1C(=O)[O-] ZINC000592981166 857147831 /nfs/dbraw/zinc/14/78/31/857147831.db2.gz KUTNGKPBULJVAP-AWEZNQCLSA-N -1 0 384.417 3.948 20 5 GHBDRM O=C(NCC1(c2ccc3c(c2)OCO3)CCCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000486031133 857343125 /nfs/dbraw/zinc/34/31/25/857343125.db2.gz RNJIIMGAGNBYIL-UHFFFAOYSA-N -1 0 398.415 3.661 20 5 GHBDRM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)c1 ZINC000066412730 858110406 /nfs/dbraw/zinc/11/04/06/858110406.db2.gz PKKQRCIYXZFDIM-UHFFFAOYSA-N -1 0 376.419 3.744 20 5 GHBDRM C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594461608 858198143 /nfs/dbraw/zinc/19/81/43/858198143.db2.gz JGCLZTJLCFJERX-JIMOISOXSA-N -1 0 376.434 3.675 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@@H](COCc2ccccc2)C1 ZINC000592766709 858222594 /nfs/dbraw/zinc/22/25/94/858222594.db2.gz DSHKTRPTGJBSNO-CQSZACIVSA-N -1 0 390.823 3.633 20 5 GHBDRM COc1ccc(C[C@H](C)Nc2c(C)c(=O)[n-]n2-c2ccccc2)c([N+](=O)[O-])c1 ZINC001170326805 881364301 /nfs/dbraw/zinc/36/43/01/881364301.db2.gz NNURTHHRGPWXIL-ZDUSSCGKSA-N -1 0 382.420 3.846 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000262221719 859284033 /nfs/dbraw/zinc/28/40/33/859284033.db2.gz RCZABIAPMFIDET-MRXNPFEDSA-N -1 0 382.416 3.717 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC(Cc2nccs2)CC1 ZINC000601745015 859519889 /nfs/dbraw/zinc/51/98/89/859519889.db2.gz PNHJIAHAEUPADD-UHFFFAOYSA-N -1 0 381.841 3.505 20 5 GHBDRM Cc1ccc(C)c2sc([N-]S(=O)(=O)CCc3ccccc3[N+](=O)[O-])nc21 ZINC000611466238 859770470 /nfs/dbraw/zinc/77/04/70/859770470.db2.gz DBFWOFHEANVVKK-UHFFFAOYSA-N -1 0 391.474 3.806 20 5 GHBDRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000611526183 859795220 /nfs/dbraw/zinc/79/52/20/859795220.db2.gz BGFROCYNWRNBFK-KRWDZBQOSA-N -1 0 397.431 3.676 20 5 GHBDRM O=C(N[C@@H]1CSc2ccc(Br)cc21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000552214621 860020865 /nfs/dbraw/zinc/02/08/65/860020865.db2.gz ZHXDKTHJZSIIDZ-GFCCVEGCSA-N -1 0 395.234 3.640 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)c(Cl)c1 ZINC000474423746 860044624 /nfs/dbraw/zinc/04/46/24/860044624.db2.gz DHSADTWXSIIRMT-UHFFFAOYSA-N -1 0 396.837 3.568 20 5 GHBDRM CSCCc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000727671780 860183824 /nfs/dbraw/zinc/18/38/24/860183824.db2.gz MPYXTNINLAKOTH-UHFFFAOYSA-N -1 0 386.882 3.955 20 5 GHBDRM C[C@H](c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000520411672 881513869 /nfs/dbraw/zinc/51/38/69/881513869.db2.gz BIADNHZGLWWBLF-CYBMUJFWSA-N -1 0 389.839 3.830 20 5 GHBDRM Cc1cc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C2)c(O)cc1Cl ZINC000598330090 860239077 /nfs/dbraw/zinc/23/90/77/860239077.db2.gz LDPZNFWQNHMHAJ-GFCCVEGCSA-N -1 0 376.796 3.598 20 5 GHBDRM O=C([O-])[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc21 ZINC000192941388 860361652 /nfs/dbraw/zinc/36/16/52/860361652.db2.gz FGBRPLYLEIXDOV-AWEZNQCLSA-N -1 0 395.396 3.547 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1(c2cccc(Cl)c2)CCOCC1 ZINC000124949383 860538022 /nfs/dbraw/zinc/53/80/22/860538022.db2.gz FSEULSVVWPHPOJ-UHFFFAOYSA-N -1 0 376.796 3.641 20 5 GHBDRM O=C([O-])C[C@@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000392185915 860717897 /nfs/dbraw/zinc/71/78/97/860717897.db2.gz MKCFBAIUQXPRAW-JTQLQIEISA-N -1 0 394.225 3.597 20 5 GHBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(OCc2cccnc2)cc1 ZINC000160022308 863245990 /nfs/dbraw/zinc/24/59/90/863245990.db2.gz KENJOLMUZRXBGO-CQSZACIVSA-N -1 0 393.399 3.765 20 5 GHBDRM CC(C)[C@H](CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000593955545 863445969 /nfs/dbraw/zinc/44/59/69/863445969.db2.gz AHAOMIFKSXSPDP-KRWDZBQOSA-N -1 0 387.392 3.865 20 5 GHBDRM O=C([O-])c1cc(N2CCC(c3ccc4cccnc4n3)CC2)ccc1[N+](=O)[O-] ZINC000593947519 863447289 /nfs/dbraw/zinc/44/72/89/863447289.db2.gz VPEFLPXWMVMOSH-UHFFFAOYSA-N -1 0 378.388 3.620 20 5 GHBDRM COc1cc(C(=O)Nc2cccc(Cl)c2[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000522975827 863844996 /nfs/dbraw/zinc/84/49/96/863844996.db2.gz RISKORVLDQQSAT-UHFFFAOYSA-N -1 0 388.710 3.816 20 5 GHBDRM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480194235 864216780 /nfs/dbraw/zinc/21/67/80/864216780.db2.gz FUBFMQKOOVPUSE-UHFFFAOYSA-N -1 0 387.417 3.976 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c1[N+](=O)[O-] ZINC000480231237 864312928 /nfs/dbraw/zinc/31/29/28/864312928.db2.gz WNHCGYHGKHEGOU-UHFFFAOYSA-N -1 0 386.376 3.656 20 5 GHBDRM CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000735398081 864770137 /nfs/dbraw/zinc/77/01/37/864770137.db2.gz GXWZBQFFGFJTCJ-LLVKDONJSA-N -1 0 376.862 3.660 20 5 GHBDRM O=C(Nc1ccc(OC(F)F)c2cccnc12)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000186402406 865218499 /nfs/dbraw/zinc/21/84/99/865218499.db2.gz JWBFLFQWENUJHL-UHFFFAOYSA-N -1 0 375.287 3.702 20 5 GHBDRM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000737314566 865388927 /nfs/dbraw/zinc/38/89/27/865388927.db2.gz HESRIHVPISKXQO-UHFFFAOYSA-N -1 0 390.804 3.520 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)nn1C1CCCCC1 ZINC000555126674 865571637 /nfs/dbraw/zinc/57/16/37/865571637.db2.gz DPSGIMLITFRXBC-UHFFFAOYSA-N -1 0 378.454 3.714 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1 ZINC000739380850 865724777 /nfs/dbraw/zinc/72/47/77/865724777.db2.gz AMRFGKYYBIEMHQ-UHFFFAOYSA-N -1 0 381.841 3.649 20 5 GHBDRM CCc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000609027199 865904513 /nfs/dbraw/zinc/90/45/13/865904513.db2.gz XQGRCZMGTHLKLE-UHFFFAOYSA-N -1 0 385.239 3.721 20 5 GHBDRM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609027150 865904789 /nfs/dbraw/zinc/90/47/89/865904789.db2.gz RUIOARLQMOARTJ-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000444399173 866064611 /nfs/dbraw/zinc/06/46/11/866064611.db2.gz JJSVUUVEKMCOOA-DIFFPNOSSA-N -1 0 376.796 3.556 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc3cc([N+](=O)[O-])ccc3n2)c(Cl)c1 ZINC000183132642 866243629 /nfs/dbraw/zinc/24/36/29/866243629.db2.gz YVAZSRNUHCBQHV-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM CCc1ccc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)sc2c1 ZINC000534205743 866270200 /nfs/dbraw/zinc/27/02/00/866270200.db2.gz XGMJKRWFBHKFBK-UHFFFAOYSA-N -1 0 381.410 3.707 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000440409510 866434533 /nfs/dbraw/zinc/43/45/33/866434533.db2.gz UMNLJVOTKURXHL-ZDUSSCGKSA-N -1 0 380.429 3.593 20 5 GHBDRM CN(C(=O)c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1)C1CCCCC1 ZINC000475606479 866801012 /nfs/dbraw/zinc/80/10/12/866801012.db2.gz IWDQUMSMBQRZDV-UHFFFAOYSA-N -1 0 397.431 3.957 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccc1C(F)(F)F ZINC000743265490 868038580 /nfs/dbraw/zinc/03/85/80/868038580.db2.gz PFAJDLKIPIOMBE-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c(OC)ccnc12 ZINC000535053695 868042903 /nfs/dbraw/zinc/04/29/03/868042903.db2.gz BZSAYXLNOBLELF-UHFFFAOYSA-N -1 0 387.417 3.515 20 5 GHBDRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c2ncccc12 ZINC000462363126 869314177 /nfs/dbraw/zinc/31/41/77/869314177.db2.gz XFMRVYWCPOIMKL-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM CCOc1cc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)cc(Cl)c1[O-] ZINC000443226446 869905022 /nfs/dbraw/zinc/90/50/22/869905022.db2.gz 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O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001194918314 872031660 /nfs/dbraw/zinc/03/16/60/872031660.db2.gz YVMRQFJRMJBTSW-IQJOONFLSA-N -1 0 379.265 3.616 20 5 GHBDRM CCc1cc(C2CC2)nc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000191841740 882635554 /nfs/dbraw/zinc/63/55/54/882635554.db2.gz QSJVUWKILGEESP-UHFFFAOYSA-N -1 0 396.856 3.587 20 5 GHBDRM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000619467172 872662981 /nfs/dbraw/zinc/66/29/81/872662981.db2.gz RMZLDFFWQUEKJE-GFCCVEGCSA-N -1 0 380.422 3.582 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc2c(cccc2Cl)s1 ZINC000191848483 882639184 /nfs/dbraw/zinc/63/91/84/882639184.db2.gz RMCIEWSYUQPOPT-UHFFFAOYSA-N -1 0 399.837 3.667 20 5 GHBDRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc1C ZINC000775679406 872808441 /nfs/dbraw/zinc/80/84/41/872808441.db2.gz ZPDLCAPQTUOXRZ-JTQLQIEISA-N -1 0 386.861 3.833 20 5 GHBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc2ccsc21 ZINC000767965174 872999465 /nfs/dbraw/zinc/99/94/65/872999465.db2.gz CQUXXCQMZBZTSR-UHFFFAOYSA-N -1 0 396.833 3.582 20 5 GHBDRM CC1CCN(c2ccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)CC1 ZINC000768858436 873597995 /nfs/dbraw/zinc/59/79/95/873597995.db2.gz NUDMQHHHPVAOMV-UHFFFAOYSA-N -1 0 381.479 3.693 20 5 GHBDRM CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768883237 873644794 /nfs/dbraw/zinc/64/47/94/873644794.db2.gz YQQBRMWRMUTCLL-UHFFFAOYSA-N -1 0 376.843 3.898 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)[nH]n2)cs1 ZINC000768861396 873663143 /nfs/dbraw/zinc/66/31/43/873663143.db2.gz FFGWLJQZZNHAFV-UHFFFAOYSA-N -1 0 384.826 3.501 20 5 GHBDRM CCN(CC1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C ZINC000769546185 874149104 /nfs/dbraw/zinc/14/91/04/874149104.db2.gz UPIYTNLZVRLYII-UHFFFAOYSA-N -1 0 393.484 3.769 20 5 GHBDRM COc1cc(/C=C/c2ccc3cc([N+](=O)[O-])ccc3n2)ccc1OCC(=O)[O-] ZINC000769746658 874281216 /nfs/dbraw/zinc/28/12/16/874281216.db2.gz NJKCNWDRXZJBEB-GORDUTHDSA-N -1 0 380.356 3.785 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ncccc12 ZINC000769894223 874326804 /nfs/dbraw/zinc/32/68/04/874326804.db2.gz NZTRVJOGRIZICJ-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM O=Cc1cccc(OCc2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000770856086 874890004 /nfs/dbraw/zinc/89/00/04/874890004.db2.gz KCIWXFOBDSBPHM-UHFFFAOYSA-N -1 0 392.367 3.944 20 5 GHBDRM CC(C)(C)OC(=O)N1CCC(CCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000776200055 875814654 /nfs/dbraw/zinc/81/46/54/875814654.db2.gz OIQPLLRQGXEJSV-UHFFFAOYSA-N -1 0 393.440 3.666 20 5 GHBDRM CCc1c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cnn1CCC(C)C ZINC000491855540 875989873 /nfs/dbraw/zinc/98/98/73/875989873.db2.gz WPUQYSDCAMGVRC-UHFFFAOYSA-N -1 0 394.497 3.817 20 5 GHBDRM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000106704337 876239011 /nfs/dbraw/zinc/23/90/11/876239011.db2.gz 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CSc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790382061 879651256 /nfs/dbraw/zinc/65/12/56/879651256.db2.gz KNGDEAGPDPFPFK-UHFFFAOYSA-N -1 0 397.434 3.643 20 5 GHBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1sccc1-c1ccccc1 ZINC000112160914 879782042 /nfs/dbraw/zinc/78/20/42/879782042.db2.gz ZZLLKPOFAZENND-UHFFFAOYSA-N -1 0 394.455 3.504 20 5 GHBDRM Cc1cc(C)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1Br ZINC000776742095 879821160 /nfs/dbraw/zinc/82/11/60/879821160.db2.gz QIKCPFMEOJSDCV-UHFFFAOYSA-N -1 0 391.268 3.836 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccco4)nc3c2)ccc1[N+](=O)[O-] ZINC000531433121 879828192 /nfs/dbraw/zinc/82/81/92/879828192.db2.gz JTSNWNCRKLHIOY-UHFFFAOYSA-N -1 0 398.400 3.840 20 5 GHBDRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000532001583 880871180 /nfs/dbraw/zinc/87/11/80/880871180.db2.gz NTRANFSQUOBTPL-UHFFFAOYSA-N -1 0 398.293 3.795 20 5 GHBDRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000237601230 881247224 /nfs/dbraw/zinc/24/72/24/881247224.db2.gz QOPRDVRCMXVCTG-AWEZNQCLSA-N -1 0 380.759 3.642 20 5 GHBDRM CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1[N+](=O)[O-] ZINC000551117168 883311939 /nfs/dbraw/zinc/31/19/39/883311939.db2.gz VQNPFHWDYODRBN-UHFFFAOYSA-N -1 0 396.396 3.530 20 5 GHBDRM O=C([O-])[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@H]1C(F)(F)F ZINC000262998629 883476163 /nfs/dbraw/zinc/47/61/63/883476163.db2.gz ONEJKGYVDMPCSP-HZPDHXFCSA-N -1 0 388.345 3.723 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)cc1[N+](=O)[O-] ZINC000263185299 884369336 /nfs/dbraw/zinc/36/93/36/884369336.db2.gz MACSCLPTCSNTRJ-OCCSQVGLSA-N -1 0 380.466 3.668 20 5 GHBDRM CSc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1Cl ZINC000475829216 884594706 /nfs/dbraw/zinc/59/47/06/884594706.db2.gz QYGOBRGAXWCZIB-UHFFFAOYSA-N -1 0 376.818 3.910 20 5 GHBDRM CC(C)(NC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000263504935 885024387 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O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000813877309 892056802 /nfs/dbraw/zinc/05/68/02/892056802.db2.gz RMMUUARBHCCFQN-VQTJNVASSA-N -1 0 378.384 3.505 20 5 GHBDRM CC(C)c1nsc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)n1 ZINC000874695950 892300486 /nfs/dbraw/zinc/30/04/86/892300486.db2.gz WLNWJSSQNJBHNA-UHFFFAOYSA-N -1 0 389.206 3.724 20 5 GHBDRM CC(C)(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc2c(c1)OCO2 ZINC000497732138 892317978 /nfs/dbraw/zinc/31/79/78/892317978.db2.gz HYZUGSKDLGRKCX-UHFFFAOYSA-N -1 0 378.768 3.599 20 5 GHBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)s1 ZINC000814211527 892397851 /nfs/dbraw/zinc/39/78/51/892397851.db2.gz IJRPHGXFJXLXHD-UHFFFAOYSA-N -1 0 391.268 3.836 20 5 GHBDRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000917717800 892424323 /nfs/dbraw/zinc/42/43/23/892424323.db2.gz PZDAAPSTZBMXIJ-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000216867915 892465080 /nfs/dbraw/zinc/46/50/80/892465080.db2.gz SNJRJDFWVYGREK-OAHLLOKOSA-N -1 0 390.461 3.600 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(COc3ccccc3)c2)c1 ZINC000917763345 892545569 /nfs/dbraw/zinc/54/55/69/892545569.db2.gz IQDINGDJKDYBKP-UHFFFAOYSA-N -1 0 384.413 3.975 20 5 GHBDRM CCC(CC)[C@H](NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1cccs1 ZINC000917931597 892844531 /nfs/dbraw/zinc/84/45/31/892844531.db2.gz LZASPUYGZCVVFH-INIZCTEOSA-N -1 0 384.479 3.818 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000536697586 893563521 /nfs/dbraw/zinc/56/35/21/893563521.db2.gz OTOWAMDOKQLPDE-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc(Br)ccc2F)ccc1[N+](=O)[O-] ZINC000536701552 893575210 /nfs/dbraw/zinc/57/52/10/893575210.db2.gz NRQMIBHEIMFVGV-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cccc1OCC(F)(F)F ZINC000194626975 893615107 /nfs/dbraw/zinc/61/51/07/893615107.db2.gz 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ATCBXKPMEJQTSC-UHFFFAOYSA-N -1 0 396.730 3.773 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)cc1[N+](=O)[O-] ZINC000119354845 919621195 /nfs/dbraw/zinc/62/11/95/919621195.db2.gz FYLDPEUSUQAGQS-UHFFFAOYSA-N -1 0 382.341 3.506 20 5 GHBDRM Cc1ccc(-c2nnc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)s2)c(C)c1 ZINC000120058487 919682534 /nfs/dbraw/zinc/68/25/34/919682534.db2.gz ZVKMTSXUQNTHKA-UHFFFAOYSA-N -1 0 396.475 3.592 20 5 GHBDRM CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000368509000 922719232 /nfs/dbraw/zinc/71/92/32/922719232.db2.gz WQXQHAZDELSQCC-UHFFFAOYSA-N -1 0 381.388 3.660 20 5 GHBDRM Nc1ccc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)cc1[N+](=O)[O-] ZINC000751208383 928074212 /nfs/dbraw/zinc/07/42/12/928074212.db2.gz RGTPADZIPZPTKG-UHFFFAOYSA-N -1 0 383.838 3.846 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)c([N+](=O)[O-])c1 ZINC000467430026 929063590 /nfs/dbraw/zinc/06/35/90/929063590.db2.gz ODLHWUQMFLIKJH-UHFFFAOYSA-N -1 0 386.433 3.848 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c2n[nH]cc21 ZINC000753072605 929191282 /nfs/dbraw/zinc/19/12/82/929191282.db2.gz XHNSAMSXKQFNGP-UHFFFAOYSA-N -1 0 380.813 3.542 20 5 GHBDRM O=C([O-])CCc1cccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000467941432 929616924 /nfs/dbraw/zinc/61/69/24/929616924.db2.gz CHVYVRIJNMNIBC-UHFFFAOYSA-N -1 0 397.412 3.988 20 5 GHBDRM CCCc1nc(=NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)s[n-]1 ZINC000546672374 930347593 /nfs/dbraw/zinc/34/75/93/930347593.db2.gz OAOSKWYMXFMXMA-UHFFFAOYSA-N -1 0 397.460 3.685 20 5 GHBDRM CCOc1cc(/C=C\C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1O ZINC000781012372 930671408 /nfs/dbraw/zinc/67/14/08/930671408.db2.gz GOEQSMYHOHFJEE-XQRVVYSFSA-N -1 0 378.768 3.710 20 5 GHBDRM COc1ccccc1-c1n[n-]c(=NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)o1 ZINC000557345109 931361032 /nfs/dbraw/zinc/36/10/32/931361032.db2.gz AJQHGLUEBLXZLP-UHFFFAOYSA-N -1 0 392.371 3.947 20 5 GHBDRM COc1cc(/C=C2\C(=O)Nc3c2cccc3Br)cc([N+](=O)[O-])c1[O-] ZINC000783714443 931627049 /nfs/dbraw/zinc/62/70/49/931627049.db2.gz KNVDARYJUWVSGC-YHYXMXQVSA-N -1 0 391.177 3.564 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000558002487 931796916 /nfs/dbraw/zinc/79/69/16/931796916.db2.gz BHQVMVPICRYOEE-LBPRGKRZSA-N -1 0 380.466 3.811 20 5 GHBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1cccc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000797128111 932194758 /nfs/dbraw/zinc/19/47/58/932194758.db2.gz OQSQVRCKRDZYAK-UHFFFAOYSA-N -1 0 398.440 3.531 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2F)c1[N+](=O)[O-] ZINC000559184782 932496102 /nfs/dbraw/zinc/49/61/02/932496102.db2.gz QRSJJBCWCBPBDW-UHFFFAOYSA-N -1 0 390.396 3.542 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000559247611 932548489 /nfs/dbraw/zinc/54/84/89/932548489.db2.gz FKTHIUUIZYWJIS-QGZVFWFLSA-N -1 0 398.337 3.773 20 5 GHBDRM O=C(NCCOCc1ccc(Cl)cc1Cl)c1cc([O-])ccc1[N+](=O)[O-] ZINC000561322370 934051455 /nfs/dbraw/zinc/05/14/55/934051455.db2.gz SWADBXLHAHGRHA-UHFFFAOYSA-N -1 0 385.203 3.554 20 5 GHBDRM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C(=O)[O-])cccc1C(C)C ZINC000777921721 934122700 /nfs/dbraw/zinc/12/27/00/934122700.db2.gz DZQHXNXNKURJBC-UHFFFAOYSA-N -1 0 396.396 3.665 20 5 GHBDRM CCCN(Cc1nc(=O)c2sccc2[n-]1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001118556040 934195608 /nfs/dbraw/zinc/19/56/08/934195608.db2.gz ATRPALXBOSVGAJ-UHFFFAOYSA-N -1 0 376.413 3.856 20 5 GHBDRM CC(C)(C)[C@H]1CCN(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])C1 ZINC000828327573 935613311 /nfs/dbraw/zinc/61/33/11/935613311.db2.gz DOECSFXCSRXZHD-NSHDSACASA-N -1 0 392.843 3.648 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC001137716297 935743961 /nfs/dbraw/zinc/74/39/61/935743961.db2.gz BIRJNURQQKAZRW-MJGOQNOKSA-N -1 0 384.432 3.809 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccnn1CCc1ccccc1 ZINC001137826269 935810010 /nfs/dbraw/zinc/81/00/10/935810010.db2.gz ACEFIZHPPSIEJP-UHFFFAOYSA-N -1 0 386.795 3.645 20 5 GHBDRM CCCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cnn1-c1cccc(C)c1 ZINC001138013549 935927794 /nfs/dbraw/zinc/92/77/94/935927794.db2.gz PYBFULDFTQYAHS-UHFFFAOYSA-N -1 0 380.404 3.999 20 5 GHBDRM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)n1 ZINC000830367430 935936449 /nfs/dbraw/zinc/93/64/49/935936449.db2.gz ZPXVDBAHGIEKHD-SSDOTTSWSA-N -1 0 396.277 3.706 20 5 GHBDRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)Cc3cccc([N+](=O)[O-])c3)sc2[C@H](C)O1 ZINC001589411321 954517810 /nfs/dbraw/zinc/51/78/10/954517810.db2.gz OTYWHIHHOMYLRO-ZJUUUORDSA-N -1 0 390.417 3.558 20 5 GHBDRM Cn1cc(CNc2cccc(CCC(=O)[O-])c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001594543825 955678579 /nfs/dbraw/zinc/67/85/79/955678579.db2.gz RJHGPQQMOJMYEP-UHFFFAOYSA-N -1 0 380.404 3.625 20 5 GHBDRM O=C(/C=C/c1ccc(C(=O)[O-])o1)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC001594674645 956648088 /nfs/dbraw/zinc/64/80/88/956648088.db2.gz RAGYIAPHNBOXOV-LHUXKHBRSA-N -1 0 394.339 3.627 20 5 GHBDRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c2ccccc21 ZINC001594726787 957012884 /nfs/dbraw/zinc/01/28/84/957012884.db2.gz OJLASFRJMWVULS-WCQYABFASA-N -1 0 394.305 3.657 20 5 GHBDRM O=C([O-])[C@@H]1C[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC001605776748 972487815 /nfs/dbraw/zinc/48/78/15/972487815.db2.gz VAQVVNUXZIPGFE-RTBURBONSA-N -1 0 397.431 3.530 20 5 GHBDRM Cc1cccc([C@H](NCc2cc(Br)c([N+](=O)[O-])s2)C(=O)[O-])c1 ZINC001605330975 973208441 /nfs/dbraw/zinc/20/84/41/973208441.db2.gz SJNNHNSVXRXNJV-LBPRGKRZSA-N -1 0 385.239 3.643 20 5 GHBDRM O=C([O-])CCC1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001606131771 973379323 /nfs/dbraw/zinc/37/93/23/973379323.db2.gz LMBIPILKJIIPEE-UHFFFAOYSA-N -1 0 375.208 3.619 20 5 GHBDRM CC(C)OC(=O)C[C@@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001591676892 975452223 /nfs/dbraw/zinc/45/22/23/975452223.db2.gz JVHBXGCWYATXOT-NSHDSACASA-N -1 0 384.816 3.505 20 5 GHBDRM CC(C)n1ncc2c1C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)CC2 ZINC001592163747 977059148 /nfs/dbraw/zinc/05/91/48/977059148.db2.gz UOFJIJZGZQGOOU-NSHDSACASA-N -1 0 378.816 3.693 20 5 GHBDRM C[C@@H](CCc1ccc(Br)cc1)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001592537398 978412247 /nfs/dbraw/zinc/41/22/47/978412247.db2.gz LDKRXZARVVPQJR-JTQLQIEISA-N -1 0 394.225 3.884 20 5 GHBDRM Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000841501679 979303159 /nfs/dbraw/zinc/30/31/59/979303159.db2.gz OQMAOUYBZTYIOX-UHFFFAOYSA-N -1 0 383.404 3.844 20 5 GHBDRM CC[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])Oc1cccc(C(F)(F)F)c1 ZINC001595172837 979746672 /nfs/dbraw/zinc/74/66/72/979746672.db2.gz QRBDHCHEOBZLPM-NSHDSACASA-N -1 0 399.325 3.976 20 5 GHBDRM CCCCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])C(C)(C)C ZINC001595686743 982176175 /nfs/dbraw/zinc/17/61/75/982176175.db2.gz HRIPCVURKMWYSW-HNNXBMFYSA-N -1 0 386.470 3.566 20 5 GHBDRM CCCCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Cl)nc1 ZINC001595731654 982363091 /nfs/dbraw/zinc/36/30/91/982363091.db2.gz BQOSILYGGINYMJ-UHFFFAOYSA-N -1 0 377.784 3.788 20 5 GHBDRM CC[C@@H](C)NC(=O)c1cccc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001594995224 982890060 /nfs/dbraw/zinc/89/00/60/982890060.db2.gz ULDJIIGSZZSLBG-QQBNSCQMSA-N -1 0 397.431 3.833 20 5 GHBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccccc1C(=O)[O-] ZINC001595987699 983240125 /nfs/dbraw/zinc/24/01/25/983240125.db2.gz OGIXKTYPXGUUCJ-UHFFFAOYSA-N -1 0 388.445 3.768 20 5 GHBDRM CCCc1c(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)[nH]c(C)c1C(=O)[O-] ZINC001596042255 983329719 /nfs/dbraw/zinc/32/97/19/983329719.db2.gz RDVHLRGVFNOBAN-UHFFFAOYSA-N -1 0 397.790 3.605 20 5 GHBDRM CCN(C(=O)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC001596145393 983500698 /nfs/dbraw/zinc/50/06/98/983500698.db2.gz ICQYKRPCRCOHEX-UHFFFAOYSA-N -1 0 394.383 3.878 20 5 GHBDRM CCN(CCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001596328648 983765288 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CC(C)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC1 ZINC001591092568 991643936 /nfs/dbraw/zinc/64/39/36/991643936.db2.gz QPISMHXNHWGTFU-UHFFFAOYSA-N -1 0 380.466 3.670 20 5 GHBDRM C[C@@H](NC(=O)c1ccc(NCc2cccc3ccccc32)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170168 994025160 /nfs/dbraw/zinc/02/51/60/994025160.db2.gz JGILLFFPQHBARV-CYBMUJFWSA-N -1 0 393.399 3.563 20 5 GHBDRM COc1cccc(C(=O)Nc2nc(C3CCCC3)c(C(=O)[O-])s2)c1[N+](=O)[O-] ZINC001599642336 994376759 /nfs/dbraw/zinc/37/67/59/994376759.db2.gz GJLYDGMEJAIZLQ-UHFFFAOYSA-N -1 0 391.405 3.668 20 5 GHBDRM C[C@@H](O)[C@](C)(CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])Cc1ccccc1 ZINC001593426970 995234033 /nfs/dbraw/zinc/23/40/33/995234033.db2.gz UYDZWLFWKUBUHC-BLVKFPJESA-N -1 0 392.839 3.988 20 5 GHBDRM COC(=O)[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])c1ccc(C)cc1 ZINC001598704872 995273671 /nfs/dbraw/zinc/27/36/71/995273671.db2.gz SWLQKICOQIZWBV-AWEZNQCLSA-N -1 0 392.795 3.624 20 5 GHBDRM 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Cc1ccc(-c2nc(-c3cncc(Br)c3C)no2)c([N+](=O)[O-])c1[O-] ZINC001216858894 1029966993 /nfs/dbraw/zinc/96/69/93/1029966993.db2.gz KHNZSCRLGMYMNF-UHFFFAOYSA-N -1 0 391.181 3.792 20 5 GHBDRM O=[N+]([O-])c1cc([O-])cc(-c2nc(-c3ccc(Br)c(F)c3)no2)c1 ZINC001216924873 1030005481 /nfs/dbraw/zinc/00/54/81/1030005481.db2.gz WMUHAPOGASCHMB-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM COc1ncc(Cl)cc1-c1noc(-c2cc([O-])c(Cl)cc2[N+](=O)[O-])n1 ZINC001217101725 1030168066 /nfs/dbraw/zinc/16/80/66/1030168066.db2.gz YGOSJYFNNFJTOB-UHFFFAOYSA-N -1 0 383.147 3.728 20 5 GHBDRM Cc1ncc(Cl)cc1-c1noc(-c2c[n-]c3ccc([N+](=O)[O-])cc3c2=O)n1 ZINC001217438518 1030392470 /nfs/dbraw/zinc/39/24/70/1030392470.db2.gz NISRSXJHDOFILS-UHFFFAOYSA-N -1 0 383.751 3.510 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001152448265 1031246106 /nfs/dbraw/zinc/24/61/06/1031246106.db2.gz ARQFOIWZNYATAF-GFCCVEGCSA-N -1 0 391.594 3.933 20 5 GHBDRM CC(C)(C)OC(=O)N1CCCC2(CC(Oc3cc([O-])ccc3[N+](=O)[O-])C2)C1 ZINC001225491169 1031438692 /nfs/dbraw/zinc/43/86/92/1031438692.db2.gz NBGSTQVEBORYMN-UHFFFAOYSA-N -1 0 378.425 3.859 20 5 GHBDRM CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@H]2Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225622330 1031514262 /nfs/dbraw/zinc/51/42/62/1031514262.db2.gz HCNRRUDKVMXZLM-HNAYVOBHSA-N -1 0 378.425 3.859 20 5 GHBDRM CC(C)(NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC001219675841 1031553684 /nfs/dbraw/zinc/55/36/84/1031553684.db2.gz OJQMTWKGAOXUQR-UHFFFAOYSA-N -1 0 381.392 3.543 20 5 GHBDRM CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001153454623 1031599384 /nfs/dbraw/zinc/59/93/84/1031599384.db2.gz CWUVGROEWRTDKZ-ZDUSSCGKSA-N -1 0 381.429 3.568 20 5 GHBDRM O=C(Nc1cccc(O)c1Br)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001158825756 1034289605 /nfs/dbraw/zinc/28/96/05/1034289605.db2.gz UHGSHJSGCDNKKA-UHFFFAOYSA-N -1 0 376.166 3.797 20 5 GHBDRM O=c1nc(O[C@@H]2CCc3ccc(Br)cc32)c([N+](=O)[O-])c(Cl)[n-]1 ZINC001231072405 1034378285 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FBTUXLLGWGFQEP-UHFFFAOYSA-N -1 0 391.387 3.879 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC(Cc2cccc(OC(F)(F)F)c2)C1 ZINC001294527581 1044684892 /nfs/dbraw/zinc/68/48/92/1044684892.db2.gz UGFJFXNRUJQERH-UHFFFAOYSA-N -1 0 396.321 3.514 20 5 GHBDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc2cccnc2c2ncccc12 ZINC001260651136 1045592328 /nfs/dbraw/zinc/59/23/28/1045592328.db2.gz QMVFSRYOYQZHFI-UHFFFAOYSA-N -1 0 383.404 3.732 20 5 GHBDRM CCOc1ccc(C[C@@H](C)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC001299048492 1046002908 /nfs/dbraw/zinc/00/29/08/1046002908.db2.gz HLWXAINEOPOOFF-GFCCVEGCSA-N -1 0 392.839 3.961 20 5 GHBDRM Cc1c(Br)cc(C(=O)Nc2ccc(F)c(F)c2[O-])cc1[N+](=O)[O-] ZINC001299046365 1046002974 /nfs/dbraw/zinc/00/29/74/1046002974.db2.gz FRHCDTSZEWTJRB-UHFFFAOYSA-N -1 0 387.136 3.902 20 5 GHBDRM CCOc1ccc(C[C@H](C)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC001299048493 1046003237 /nfs/dbraw/zinc/00/32/37/1046003237.db2.gz HLWXAINEOPOOFF-LBPRGKRZSA-N -1 0 392.839 3.961 20 5 GHBDRM O=C(N[C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001299834817 1046062713 /nfs/dbraw/zinc/06/27/13/1046062713.db2.gz SNEPSRCXMHRMPF-OAHLLOKOSA-N -1 0 397.284 3.954 20 5 GHBDRM C[C@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001303104858 1047279097 /nfs/dbraw/zinc/27/90/97/1047279097.db2.gz XIXVSDNTEJLDQO-LJQANCHMSA-N -1 0 394.349 3.955 20 5 GHBDRM CC(=O)c1cc(F)c([O-])c(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001303885566 1047527313 /nfs/dbraw/zinc/52/73/13/1047527313.db2.gz ZDJHHUMKBRULNM-UHFFFAOYSA-N -1 0 396.758 3.703 20 5 GHBDRM O=C(c1ccccc1Cl)C1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC001304917105 1047806470 /nfs/dbraw/zinc/80/64/70/1047806470.db2.gz OJWYZXOTNUCSNH-UHFFFAOYSA-N -1 0 388.807 3.689 20 5 GHBDRM Cc1cccc(C(=O)Nc2nnc(-c3c(F)cccc3F)s2)c1[N+](=O)[O-] ZINC001287627011 1048856102 /nfs/dbraw/zinc/85/61/02/1048856102.db2.gz SUJYNTSRLBCYRB-UHFFFAOYSA-N -1 0 376.344 3.952 20 5 GHBDRM COc1ccc(CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C2CC2)cc1 ZINC001290241236 1049773046 /nfs/dbraw/zinc/77/30/46/1049773046.db2.gz PAKGIWYAAKSRDT-UHFFFAOYSA-N -1 0 376.796 3.767 20 5 GHBDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cc2c(cccc2Cl)s1 ZINC001317879124 1054287127 /nfs/dbraw/zinc/28/71/27/1054287127.db2.gz XRSFQVCZQKBJCS-UHFFFAOYSA-N -1 0 396.833 3.582 20 5 GHBDRM CCOc1cc2c(cc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])O[C@H](C)C2 ZINC001442767063 1059005744 /nfs/dbraw/zinc/00/57/44/1059005744.db2.gz NQKDTNGWOCYNMH-SECBINFHSA-N -1 0 392.795 3.928 20 5 GHBDRM CCCN(Cc1nc(=O)c2sccc2[n-]1)Cc1ccc([N+](=O)[O-])cc1OC ZINC001339727127 1059420706 /nfs/dbraw/zinc/42/07/06/1059420706.db2.gz VUMWQTPHYBCYTO-UHFFFAOYSA-N -1 0 388.449 3.726 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N(Cc1ccco1)Cc1cccnc1 ZINC001446318049 1059752530 /nfs/dbraw/zinc/75/25/30/1059752530.db2.gz TXOOWPLXLVEKGT-UHFFFAOYSA-N -1 0 387.779 3.784 20 5 GHBDRM O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001446632673 1059823162 /nfs/dbraw/zinc/82/31/62/1059823162.db2.gz VABFQOYTUXMSGY-UHFFFAOYSA-N -1 0 378.388 3.691 20 5 GHBDRM CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001446828013 1059875621 /nfs/dbraw/zinc/87/56/21/1059875621.db2.gz ULQDADHGADZIEZ-FVMDXXJSSA-N -1 0 382.775 3.599 20 5 GHBDRM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC001446831035 1059876209 /nfs/dbraw/zinc/87/62/09/1059876209.db2.gz VYPHYTFJQVXIBT-VHSXEESVSA-N -1 0 384.816 3.650 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])n1 ZINC001447087457 1059926160 /nfs/dbraw/zinc/92/61/60/1059926160.db2.gz DMHJSXPKHAAOSJ-UHFFFAOYSA-N -1 0 386.589 3.672 20 5 GHBDRM Cc1ccc(Br)c(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC001451589008 1060800045 /nfs/dbraw/zinc/80/00/45/1060800045.db2.gz NLNNKKCMTLILJT-UHFFFAOYSA-N -1 0 399.628 3.955 20 5 GHBDRM COc1ccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])c2ccccc2)cc1 ZINC001453210463 1061094908 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NUFZLTFSVVZABF-UHFFFAOYSA-N -1 0 383.385 3.693 20 5 GHBDRM O=C([O-])/C=C/c1ccc(NCc2cccc(OCC(F)F)c2)c([N+](=O)[O-])c1 ZINC000739624479 599842748 /nfs/dbraw/zinc/84/27/48/599842748.db2.gz KVUORDDXJALIDH-FNORWQNLSA-N -1 0 378.331 3.949 20 5 GHBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000738201432 599849531 /nfs/dbraw/zinc/84/95/31/599849531.db2.gz QMGMGGRGALKDGQ-OSCZDJLXSA-N -1 0 386.429 3.662 20 5 GHBDRM C[C@@H](Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])c1csc2ccccc21 ZINC000736669881 599955685 /nfs/dbraw/zinc/95/56/85/599955685.db2.gz BCDZHZJYDPYYHF-LLVKDONJSA-N -1 0 399.428 3.797 20 5 GHBDRM O=C([O-])CCSCc1cccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000739753433 600066250 /nfs/dbraw/zinc/06/62/50/600066250.db2.gz IGEXFYVTZJSSIA-UHFFFAOYSA-N -1 0 378.381 3.694 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736711894 600111513 /nfs/dbraw/zinc/11/15/13/600111513.db2.gz HPMJQCWMDAYPNS-JTQLQIEISA-N -1 0 379.365 3.656 20 5 GHBDRM 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ZINC000833059062 600826107 /nfs/dbraw/zinc/82/61/07/600826107.db2.gz UZLTVTONSHWLIT-XSFOEPMVSA-N -1 0 392.415 3.822 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000736712151 600940251 /nfs/dbraw/zinc/94/02/51/600940251.db2.gz IRDBIEZTINJQJC-GFCCVEGCSA-N -1 0 392.408 3.722 20 5 GHBDRM Cc1cccc(NC(=O)CN(C)c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])c1C ZINC000738734289 600942596 /nfs/dbraw/zinc/94/25/96/600942596.db2.gz HQVAUUGPVPYEGY-UHFFFAOYSA-N -1 0 391.811 3.638 20 5 GHBDRM O=C([O-])CC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000833222810 600972859 /nfs/dbraw/zinc/97/28/59/600972859.db2.gz ZQALEMMMMZCLDZ-CQSZACIVSA-N -1 0 396.321 3.950 20 5 GHBDRM O=Cc1ccc(OCc2csc(-c3cccc(C(=O)[O-])c3)n2)c([N+](=O)[O-])c1 ZINC000740319437 600983594 /nfs/dbraw/zinc/98/35/94/600983594.db2.gz VSARTYZCGRQKGK-UHFFFAOYSA-N -1 0 384.369 3.808 20 5 GHBDRM Cc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1C(=O)[O-] ZINC000832946168 601143772 /nfs/dbraw/zinc/14/37/72/601143772.db2.gz QIOUDQPYLJBFMA-UHFFFAOYSA-N -1 0 399.403 3.677 20 5 GHBDRM O=C([O-])Cc1csc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000610837705 601254695 /nfs/dbraw/zinc/25/46/95/601254695.db2.gz IKEOEACTSJQNNK-UHFFFAOYSA-N -1 0 398.400 3.674 20 5 GHBDRM O=C([O-])C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C1CC1 ZINC000833199209 601538287 /nfs/dbraw/zinc/53/82/87/601538287.db2.gz RTHDSRLGMMNGEO-MRXNPFEDSA-N -1 0 386.429 3.729 20 5 GHBDRM Cc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000832948664 601684501 /nfs/dbraw/zinc/68/45/01/601684501.db2.gz XJVIDBRAFATOPA-AWEZNQCLSA-N -1 0 377.784 3.894 20 5 GHBDRM C[C@H](Sc1ccccc1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000827915713 601689500 /nfs/dbraw/zinc/68/95/00/601689500.db2.gz QAOIHUUXXBLYQG-JTQLQIEISA-N -1 0 394.836 3.743 20 5 GHBDRM Cc1cc(NC2CCC(NC(=O)OC(C)(C)C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897450 602319383 /nfs/dbraw/zinc/31/93/83/602319383.db2.gz OZNHHJOATHVKJD-UHFFFAOYSA-N -1 0 393.440 3.849 20 5 GHBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000738854267 602486116 /nfs/dbraw/zinc/48/61/16/602486116.db2.gz WLNDRBLJSFYTRC-UHFFFAOYSA-N -1 0 375.356 3.875 20 5 GHBDRM CN(C(=O)[O-])C1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000737939255 602529142 /nfs/dbraw/zinc/52/91/42/602529142.db2.gz NSHZUEMVKGNOHU-UHFFFAOYSA-N -1 0 381.738 3.846 20 5 GHBDRM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739188562 602642591 /nfs/dbraw/zinc/64/25/91/602642591.db2.gz KQYVDBZHTGQMOS-CXAGYDPISA-N -1 0 383.404 3.662 20 5 GHBDRM O=C([O-])N1CCC(N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2F)CC1 ZINC000740499722 603301627 /nfs/dbraw/zinc/30/16/27/603301627.db2.gz IGMWONJMEOUWKE-UHFFFAOYSA-N -1 0 387.367 3.523 20 5 GHBDRM COc1ccc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1NC(=O)[O-] ZINC000829465737 603800573 /nfs/dbraw/zinc/80/05/73/603800573.db2.gz RXVHJBYCGOEAMW-NSHDSACASA-N -1 0 388.380 3.884 20 5 GHBDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)C1 ZINC000832239480 604020212 /nfs/dbraw/zinc/02/02/12/604020212.db2.gz IUOIMLVDOJSIGZ-CVEARBPZSA-N -1 0 383.404 3.564 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1Cl ZINC000833307345 604264705 /nfs/dbraw/zinc/26/47/05/604264705.db2.gz MPTMKIGWRVTGGH-MRXNPFEDSA-N -1 0 398.749 3.803 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCCc2csc(N3CCCC3)n2)cc1Cl ZINC000833306608 604269533 /nfs/dbraw/zinc/26/95/33/604269533.db2.gz DGKHEDXUBPMJKO-UHFFFAOYSA-N -1 0 396.856 3.658 20 5 GHBDRM O=C([O-])Nc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000833290454 604436647 /nfs/dbraw/zinc/43/66/47/604436647.db2.gz SWRZGYIXYSFONM-UHFFFAOYSA-N -1 0 380.154 3.700 20 5 GHBDRM Cc1cc([C@@H](C)OC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])oc1C(=O)[O-] ZINC000832876782 604575481 /nfs/dbraw/zinc/57/54/81/604575481.db2.gz RQHVTXUKFNCQCI-NXEZZACHSA-N -1 0 397.767 3.920 20 5 GHBDRM Cc1cc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Br)oc1C(=O)[O-] ZINC000832877343 604589945 /nfs/dbraw/zinc/58/99/45/604589945.db2.gz XNXHAEUWZNJNHU-MRVPVSSYSA-N -1 0 398.165 3.875 20 5 GHBDRM O=C([O-])CCc1csc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000833240205 604731053 /nfs/dbraw/zinc/73/10/53/604731053.db2.gz FJVNNEDXEMTPDO-UHFFFAOYSA-N -1 0 377.403 3.536 20 5 GHBDRM C[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])[C@@H]1C ZINC000833607113 605002365 /nfs/dbraw/zinc/00/23/65/605002365.db2.gz CKKFZLYXTQTZAA-JMSVASOKSA-N -1 0 380.466 3.716 20 5 GHBDRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccccc1 ZINC000833414072 605021622 /nfs/dbraw/zinc/02/16/22/605021622.db2.gz PTOQXTCDZFBXTG-QGZVFWFLSA-N -1 0 381.388 3.658 20 5 GHBDRM O=C([O-])C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(Cl)cc1 ZINC000833776627 605047140 /nfs/dbraw/zinc/04/71/40/605047140.db2.gz YUYOMUDOVMWSKH-ZDUSSCGKSA-N -1 0 383.187 3.847 20 5 GHBDRM O=C([O-])N1CCCCC[C@H]1c1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1 ZINC000834102967 605726690 /nfs/dbraw/zinc/72/66/90/605726690.db2.gz HTEIZEFZTLOHJK-HNNXBMFYSA-N -1 0 385.380 3.576 20 5 GHBDRM O=C(Cc1c[nH]c2cc(Br)ccc12)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000180764754 837524679 /nfs/dbraw/zinc/52/46/79/837524679.db2.gz IFYZQJVERTUSBH-UHFFFAOYSA-N -1 0 390.193 3.725 20 5 GHBDRM CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)sc2C1 ZINC000409534099 834494611 /nfs/dbraw/zinc/49/46/11/834494611.db2.gz GOZGZPIZNWCFEG-SECBINFHSA-N -1 0 385.442 3.506 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(Br)c1 ZINC000128199011 834612792 /nfs/dbraw/zinc/61/27/92/834612792.db2.gz WQQXDLMPMBXNEC-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=C([O-])c1cnc(N2CCC(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1 ZINC000584234393 835790874 /nfs/dbraw/zinc/79/08/74/835790874.db2.gz ABLQJKFQBQCPGZ-UHFFFAOYSA-N -1 0 384.417 3.682 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1O ZINC000471963302 844114055 /nfs/dbraw/zinc/11/40/55/844114055.db2.gz CZFCZGKEDLEVFN-UHFFFAOYSA-N -1 0 381.168 3.547 20 5 GHBDRM CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000120801289 836526856 /nfs/dbraw/zinc/52/68/56/836526856.db2.gz UMECYHDGIXRGCK-UHFFFAOYSA-N -1 0 398.394 3.534 20 5 GHBDRM COCc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000161592034 836896889 /nfs/dbraw/zinc/89/68/89/836896889.db2.gz QNNHCFFCFFOJML-UHFFFAOYSA-N -1 0 390.339 3.561 20 5 GHBDRM Cc1cscc1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000161624259 836947149 /nfs/dbraw/zinc/94/71/49/836947149.db2.gz DRPHSASHFRKMOI-UHFFFAOYSA-N -1 0 377.241 3.528 20 5 GHBDRM Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000180352526 837168996 /nfs/dbraw/zinc/16/89/96/837168996.db2.gz MPUTXYIZANIPCP-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(Cl)c1Br ZINC000190097816 838223747 /nfs/dbraw/zinc/22/37/47/838223747.db2.gz ACRQUJPZIADRDB-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000102785410 838225402 /nfs/dbraw/zinc/22/54/02/838225402.db2.gz KVMAJKRZOSBTSU-QGZVFWFLSA-N -1 0 392.415 3.983 20 5 GHBDRM Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1OC(C)C ZINC000447264413 838586216 /nfs/dbraw/zinc/58/62/16/838586216.db2.gz MSVGSHREFULVOZ-UHFFFAOYSA-N -1 0 380.422 3.505 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000014205744 839183114 /nfs/dbraw/zinc/18/31/14/839183114.db2.gz BAMZEJMPQMLLBG-UHFFFAOYSA-N -1 0 390.339 3.645 20 5 GHBDRM Cc1cc(=O)[nH]c(-c2ccc(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000255217726 839864632 /nfs/dbraw/zinc/86/46/32/839864632.db2.gz SDXXBFSKVKKFGD-WCIBSUBMSA-N -1 0 376.372 3.718 20 5 GHBDRM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000055592077 861264534 /nfs/dbraw/zinc/26/45/34/861264534.db2.gz ITSZZAOXVJLVBW-UHFFFAOYSA-N -1 0 391.449 3.607 20 5 GHBDRM C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182006762 842178614 /nfs/dbraw/zinc/17/86/14/842178614.db2.gz IMYIWNRTSVWDJS-GTNSWQLSSA-N -1 0 376.796 3.556 20 5 GHBDRM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000134680305 842590918 /nfs/dbraw/zinc/59/09/18/842590918.db2.gz CLFQMMQZRCJTKA-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000613904008 843476875 /nfs/dbraw/zinc/47/68/75/843476875.db2.gz ZVNQCBPQOJWTIN-YUMQZZPRSA-N -1 0 386.248 3.503 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)ccc1Cl ZINC000053945602 843521997 /nfs/dbraw/zinc/52/19/97/843521997.db2.gz OLVPJDIAWSKEQC-UHFFFAOYSA-N -1 0 390.808 3.506 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1OC(F)F ZINC000513393864 845349572 /nfs/dbraw/zinc/34/95/72/845349572.db2.gz DRYSYFKNWABZQA-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)s1 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CC1CCC(Oc2cc(CNC(=O)c3ccc([N+](=O)[O-])c([O-])c3)ccn2)CC1 ZINC000506003364 852931741 /nfs/dbraw/zinc/93/17/41/852931741.db2.gz UEPVPAVJMNIJST-UHFFFAOYSA-N -1 0 385.420 3.583 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccnn1-c1ccc(Cl)cc1 ZINC000437337177 853024736 /nfs/dbraw/zinc/02/47/36/853024736.db2.gz MYADUARVFRPNHO-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1csc(-c2ccccc2)n1 ZINC000586750259 853520282 /nfs/dbraw/zinc/52/02/82/853520282.db2.gz YDHLVEXYDRYYEV-UHFFFAOYSA-N -1 0 391.430 3.528 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000519945521 853636835 /nfs/dbraw/zinc/63/68/35/853636835.db2.gz ARMQKFZWTBWNIZ-UHFFFAOYSA-N -1 0 396.852 3.976 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccnc1Oc1ccccc1 ZINC000055636327 854042735 /nfs/dbraw/zinc/04/27/35/854042735.db2.gz SSOWQRGKDAYBNG-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM O=[N+]([O-])c1ccc2[nH]nc([N-]S(=O)(=O)c3ccc(Cl)cc3Cl)c2c1 ZINC000588942808 854606992 /nfs/dbraw/zinc/60/69/92/854606992.db2.gz LVAKZRLLMRATEO-UHFFFAOYSA-N -1 0 387.204 3.579 20 5 GHBDRM Cc1cc(S(=O)(=O)Nc2cc(F)c(F)cc2Cl)c(F)cc1[N+](=O)[O-] ZINC000590598050 855504480 /nfs/dbraw/zinc/50/44/80/855504480.db2.gz FVVFQHIWTHHGBT-UHFFFAOYSA-N -1 0 380.731 3.775 20 5 GHBDRM CC(C)[C@@H](NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000590763386 855566725 /nfs/dbraw/zinc/56/67/25/855566725.db2.gz IXURUIRJOOPKBM-MRXNPFEDSA-N -1 0 384.841 3.629 20 5 GHBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000591327144 855890429 /nfs/dbraw/zinc/89/04/29/855890429.db2.gz OKRDXYTZLHFCOF-UHFFFAOYSA-N -1 0 398.415 3.772 20 5 GHBDRM O=C([O-])c1ccccc1C1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000591327157 855890487 /nfs/dbraw/zinc/89/04/87/855890487.db2.gz PKGJSNDKTCZGFX-UHFFFAOYSA-N -1 0 384.417 3.682 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2Oc2ccncc2)ccc1[N+](=O)[O-] ZINC000172192956 856366710 /nfs/dbraw/zinc/36/67/10/856366710.db2.gz 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COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)c([N+](=O)[O-])c1 ZINC000173576273 857002596 /nfs/dbraw/zinc/00/25/96/857002596.db2.gz KPLPGIVXFOGNAB-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM CN(CCC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000428044900 857055810 /nfs/dbraw/zinc/05/58/10/857055810.db2.gz NXLNXFAJIRISPA-UHFFFAOYSA-N -1 0 394.836 3.946 20 5 GHBDRM C[C@@H](OCCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000508265810 857120528 /nfs/dbraw/zinc/12/05/28/857120528.db2.gz SYQWFYZXVCLVCG-CYBMUJFWSA-N -1 0 398.868 3.694 20 5 GHBDRM Cc1cc(N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592981154 857147838 /nfs/dbraw/zinc/14/78/38/857147838.db2.gz IMOPCRZWMRHQNS-OAHLLOKOSA-N -1 0 384.436 3.687 20 5 GHBDRM O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000574087921 857219085 /nfs/dbraw/zinc/21/90/85/857219085.db2.gz WDLLETNGLAIJID-QWHCGFSZSA-N -1 0 380.404 3.633 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F 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DIWYBJRCKBXBPM-ZDUSSCGKSA-N -1 0 375.450 3.557 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1 ZINC000067123935 858439925 /nfs/dbraw/zinc/43/99/25/858439925.db2.gz LOQXSQNDLHSQOJ-UHFFFAOYSA-N -1 0 391.449 3.553 20 5 GHBDRM O=C([O-])c1occc1CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000595250951 858440985 /nfs/dbraw/zinc/44/09/85/858440985.db2.gz MOHDBPXVNWLJSJ-UHFFFAOYSA-N -1 0 390.417 3.851 20 5 GHBDRM CCOc1cc(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)cc(Cl)c1[O-] ZINC000443214554 858464313 /nfs/dbraw/zinc/46/43/13/858464313.db2.gz VFTJFOHSBWKJQJ-UHFFFAOYSA-N -1 0 376.756 3.652 20 5 GHBDRM Cc1ccc2[nH]c([C@H]3CCCN(c4ccc([N+](=O)[O-])c(C(=O)[O-])c4)C3)nc2c1 ZINC000592973445 858465730 /nfs/dbraw/zinc/46/57/30/858465730.db2.gz NGGUMUFTILGSCQ-ZDUSSCGKSA-N -1 0 380.404 3.862 20 5 GHBDRM COC[C@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000592974979 858466564 /nfs/dbraw/zinc/46/65/64/858466564.db2.gz IAVJPXLSOSZTMQ-ZDUSSCGKSA-N -1 0 399.325 3.815 20 5 GHBDRM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000067454366 858573999 /nfs/dbraw/zinc/57/39/99/858573999.db2.gz DHSKKOSWLVIVAF-MRXNPFEDSA-N -1 0 377.784 3.549 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(O[C@H]3CC3(F)F)cc2)cc1[N+](=O)[O-] ZINC000596022153 858763381 /nfs/dbraw/zinc/76/33/81/858763381.db2.gz OYGWMYMVXCALGU-LBPRGKRZSA-N -1 0 390.389 3.552 20 5 GHBDRM CC[C@@H](c1nnc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)s1)c1ccccc1 ZINC000160291589 858782899 /nfs/dbraw/zinc/78/28/99/858782899.db2.gz JFHVZVNGZTYBNY-CYBMUJFWSA-N -1 0 384.417 3.946 20 5 GHBDRM O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N=c1ccc(-c2ccccc2)n[n-]1 ZINC000466648668 858920101 /nfs/dbraw/zinc/92/01/01/858920101.db2.gz OICIKHUDXCMOQS-UHFFFAOYSA-N -1 0 398.806 3.535 20 5 GHBDRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000522358251 859174971 /nfs/dbraw/zinc/17/49/71/859174971.db2.gz VNPDUOWBFHBYNB-UHFFFAOYSA-N -1 0 380.422 3.501 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nnc(C3CCCCC3)s2)c1C ZINC000764526559 859485472 /nfs/dbraw/zinc/48/54/72/859485472.db2.gz AYABOEATYRJNLV-UHFFFAOYSA-N -1 0 396.494 3.912 20 5 GHBDRM Cc1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(C)n1C1CCOCC1 ZINC000597466063 859574411 /nfs/dbraw/zinc/57/44/11/859574411.db2.gz ARRIZRGTZIGZAE-UHFFFAOYSA-N -1 0 393.827 3.976 20 5 GHBDRM COC(=O)/C(=C\c1cc(OC)c([O-])c([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000764982853 859725320 /nfs/dbraw/zinc/72/53/20/859725320.db2.gz AQYXNXOWOPXVQK-WDZFZDKYSA-N -1 0 392.433 3.777 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000474431773 860072984 /nfs/dbraw/zinc/07/29/84/860072984.db2.gz HZYLOZKPBCBADN-UHFFFAOYSA-N -1 0 396.837 3.568 20 5 GHBDRM CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2ccccc21 ZINC000598210160 860133950 /nfs/dbraw/zinc/13/39/50/860133950.db2.gz NRCVTSGOKWCUHM-OAHLLOKOSA-N -1 0 398.415 3.776 20 5 GHBDRM O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000155831585 860618885 /nfs/dbraw/zinc/61/88/85/860618885.db2.gz NDDGULNQWJJEAA-UHFFFAOYSA-N -1 0 383.335 3.666 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)cc1C ZINC000156197175 860708568 /nfs/dbraw/zinc/70/85/68/860708568.db2.gz BDDARHMRPUHZEG-UHFFFAOYSA-N -1 0 377.466 3.695 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc3ccccc3s2)c2ncccc12 ZINC000185608101 860764863 /nfs/dbraw/zinc/76/48/63/860764863.db2.gz XUUPYVKXFWDBAF-UHFFFAOYSA-N -1 0 386.414 3.554 20 5 GHBDRM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1csc2ccccc21 ZINC000730018977 860841552 /nfs/dbraw/zinc/84/15/52/860841552.db2.gz YMCQLTHKCAJFHR-JTQLQIEISA-N -1 0 380.422 3.988 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000609196851 881629074 /nfs/dbraw/zinc/62/90/74/881629074.db2.gz UFOMQWGJKOOASV-MRXNPFEDSA-N -1 0 382.388 3.693 20 5 GHBDRM CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000734080488 863984475 /nfs/dbraw/zinc/98/44/75/863984475.db2.gz STXAKLCXIQKRTQ-CYBMUJFWSA-N -1 0 386.445 3.535 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1[N+](=O)[O-] ZINC000736418295 865202615 /nfs/dbraw/zinc/20/26/15/865202615.db2.gz DLVNXVWSLSGHCH-UHFFFAOYSA-N -1 0 393.440 3.833 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2cccnc2c1C ZINC000174022937 865328359 /nfs/dbraw/zinc/32/83/59/865328359.db2.gz PDKPGUWNDMQNGP-UHFFFAOYSA-N -1 0 375.381 3.700 20 5 GHBDRM COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000608851777 865792419 /nfs/dbraw/zinc/79/24/19/865792419.db2.gz DVXGDYIDZMTVMA-UHFFFAOYSA-N -1 0 393.446 3.631 20 5 GHBDRM COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000608852481 865793547 /nfs/dbraw/zinc/79/35/47/865793547.db2.gz HXYROCOLCMNSIF-UHFFFAOYSA-N -1 0 393.446 3.631 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(F)ccc2OC(C)C)cc1C ZINC000608955756 865880735 /nfs/dbraw/zinc/88/07/35/865880735.db2.gz ISSICNMJQRJPDW-UHFFFAOYSA-N -1 0 382.413 3.939 20 5 GHBDRM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000475600049 866641719 /nfs/dbraw/zinc/64/17/19/866641719.db2.gz JDFZIBKDUTYFMZ-UHFFFAOYSA-N -1 0 397.431 3.733 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccnn2CCC(C)C)cc1[N+](=O)[O-] ZINC000553013394 866661895 /nfs/dbraw/zinc/66/18/95/866661895.db2.gz MOQBWBWIFPXKGY-UHFFFAOYSA-N -1 0 386.861 3.600 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)cc1[N+](=O)[O-] ZINC000742028033 867016917 /nfs/dbraw/zinc/01/69/17/867016917.db2.gz ZAKONMHSWBCIJL-UHFFFAOYSA-N -1 0 375.381 3.634 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2OCC2CC2)cc1[N+](=O)[O-] ZINC000742031983 867020534 /nfs/dbraw/zinc/02/05/34/867020534.db2.gz JXZAQVSSHWXLOH-UHFFFAOYSA-N -1 0 380.397 3.632 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cnccc2Oc2ccccc2)ccc1[N+](=O)[O-] ZINC000523773386 867939808 /nfs/dbraw/zinc/93/98/08/867939808.db2.gz SYRZPUICRJNIAJ-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000152133329 868714780 /nfs/dbraw/zinc/71/47/80/868714780.db2.gz CGRSPDJDGDIKFU-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000920789167 882376929 /nfs/dbraw/zinc/37/69/29/882376929.db2.gz VIFQCENIQKSEDM-PWSUYJOCSA-N -1 0 388.873 3.578 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)cc1C(F)(F)F ZINC000446768626 870323770 /nfs/dbraw/zinc/32/37/70/870323770.db2.gz ZBJCXKNINXDNCL-UHFFFAOYSA-N -1 0 396.293 3.834 20 5 GHBDRM CC1(C(=O)[O-])CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 ZINC000617739550 870842465 /nfs/dbraw/zinc/84/24/65/870842465.db2.gz FMCIPRTZGSHHSI-UHFFFAOYSA-N -1 0 392.477 3.956 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c1C ZINC000462100503 871593214 /nfs/dbraw/zinc/59/32/14/871593214.db2.gz HDUZPKYAWIKADQ-UHFFFAOYSA-N -1 0 390.339 3.737 20 5 GHBDRM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])c(Cl)c3)cc2s1 ZINC000794027616 882558022 /nfs/dbraw/zinc/55/80/22/882558022.db2.gz ATRKCORSGAEAOZ-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c2ncccc12 ZINC000463516658 871963152 /nfs/dbraw/zinc/96/31/52/871963152.db2.gz IDKZZMUQOATNGT-UHFFFAOYSA-N -1 0 381.772 3.736 20 5 GHBDRM CCCn1ccc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3OC)ccc21 ZINC000619466930 872663117 /nfs/dbraw/zinc/66/31/17/872663117.db2.gz DVJRZYNLUKKOLN-UHFFFAOYSA-N -1 0 389.433 3.769 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000619467770 872663655 /nfs/dbraw/zinc/66/36/55/872663655.db2.gz CPLGDPSMPHOYNZ-UHFFFAOYSA-N -1 0 391.430 3.528 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C)c(C)c2ncccc12 ZINC000619506991 872693558 /nfs/dbraw/zinc/69/35/58/872693558.db2.gz PCJYEFMPZHFSIW-UHFFFAOYSA-N -1 0 387.417 3.569 20 5 GHBDRM O=C([O-])c1cc(C(=O)Nc2ccccc2NCC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000237987386 882654648 /nfs/dbraw/zinc/65/46/48/882654648.db2.gz NTEHSHUDDUEMDS-UHFFFAOYSA-N -1 0 383.282 3.520 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)nn1-c1ccccc1Cl ZINC000768889570 873650514 /nfs/dbraw/zinc/65/05/14/873650514.db2.gz GITFUYIUMINOMM-UHFFFAOYSA-N -1 0 398.853 3.605 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000541586771 873931528 /nfs/dbraw/zinc/93/15/28/873931528.db2.gz WXAKQABZEJQNRQ-OLZOCXBDSA-N -1 0 377.194 3.805 20 5 GHBDRM Cc1c2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)sc2ccc1F ZINC000464912533 874767791 /nfs/dbraw/zinc/76/77/91/874767791.db2.gz WHPXCPWTUICNRQ-UHFFFAOYSA-N -1 0 385.373 3.592 20 5 GHBDRM CCc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cnn1CCC(C)C ZINC000491588147 875847890 /nfs/dbraw/zinc/84/78/90/875847890.db2.gz FPSOSDDSPKVOED-UHFFFAOYSA-N -1 0 380.470 3.509 20 5 GHBDRM COC(=O)c1ccc(-c2ccc(/C=C\c3ncc([N+](=O)[O-])cc3C(=O)[O-])o2)cc1 ZINC000609337027 883031851 /nfs/dbraw/zinc/03/18/51/883031851.db2.gz UNMGNBJAKMXKTM-VURMDHGXSA-N -1 0 394.339 3.905 20 5 GHBDRM O=c1[n-]nc([C@@H]2CCCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])C2)o1 ZINC000786551496 876786017 /nfs/dbraw/zinc/78/60/17/876786017.db2.gz NHZFFDVEAZVPLY-SSDOTTSWSA-N -1 0 392.721 3.740 20 5 GHBDRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNc1ncccc1[N+](=O)[O-] ZINC000450717421 876816434 /nfs/dbraw/zinc/81/64/34/876816434.db2.gz LMTXEPBHZATCHK-INIZCTEOSA-N -1 0 381.436 3.525 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)c1[N+](=O)[O-] ZINC000451057074 877292258 /nfs/dbraw/zinc/29/22/58/877292258.db2.gz RVMRYOHMTZZOHR-HNNXBMFYSA-N -1 0 376.434 3.516 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)cc1 ZINC000610058649 877340054 /nfs/dbraw/zinc/34/00/54/877340054.db2.gz MCFMPDMRYNTLNM-UHFFFAOYSA-N -1 0 376.434 3.855 20 5 GHBDRM O=C(Cc1ccc(Br)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000615772139 878104154 /nfs/dbraw/zinc/10/41/54/878104154.db2.gz HDVHTXIPZPGKLS-UHFFFAOYSA-N -1 0 385.601 3.898 20 5 GHBDRM Cc1nc(-c2ccc(CNC(=O)c3cc([O-])ccc3[N+](=O)[O-])s2)cs1 ZINC000551991345 878121182 /nfs/dbraw/zinc/12/11/82/878121182.db2.gz YNXXOSOKHKDWBP-UHFFFAOYSA-N -1 0 375.431 3.724 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCc2cc(Br)c(Cl)cc21 ZINC000615889206 878225040 /nfs/dbraw/zinc/22/50/40/878225040.db2.gz SQLKCRLZJFVQQV-UHFFFAOYSA-N -1 0 397.612 3.919 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000788847538 878380666 /nfs/dbraw/zinc/38/06/66/878380666.db2.gz LDQDFTJMRXYSLF-UHFFFAOYSA-N -1 0 379.394 3.537 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)cc([N+](=O)[O-])c1 ZINC000238160842 878844041 /nfs/dbraw/zinc/84/40/41/878844041.db2.gz BHMBJUWKZLKDJJ-OAHLLOKOSA-N -1 0 388.807 3.794 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)C[C@H](c1ccccc1)C(C)C ZINC000789476369 878966055 /nfs/dbraw/zinc/96/60/55/878966055.db2.gz USQWXJWQGOGYOZ-INIZCTEOSA-N -1 0 390.461 3.538 20 5 GHBDRM C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000538313803 879239323 /nfs/dbraw/zinc/23/93/23/879239323.db2.gz QGYOROVPDUNRJH-JTQLQIEISA-N -1 0 384.310 3.517 20 5 GHBDRM O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000538387296 879397566 /nfs/dbraw/zinc/39/75/66/879397566.db2.gz JGGMWMSUCPGQSO-UHFFFAOYSA-N -1 0 383.335 3.666 20 5 GHBDRM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000746923051 879829148 /nfs/dbraw/zinc/82/91/48/879829148.db2.gz XBYNFJCYIXGFTM-UHFFFAOYSA-N -1 0 393.321 3.816 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)c1[N+](=O)[O-] ZINC000790634617 879874317 /nfs/dbraw/zinc/87/43/17/879874317.db2.gz COTBJSKVLZDWNA-UHFFFAOYSA-N -1 0 398.853 3.671 20 5 GHBDRM COc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc([N+](=O)[O-])c1C ZINC000790638097 879876423 /nfs/dbraw/zinc/87/64/23/879876423.db2.gz ZZZMNIJKLJVWEU-UHFFFAOYSA-N -1 0 388.380 3.822 20 5 GHBDRM CC(C)C[C@H](NC(=O)OC(C)(C)C)c1noc(-c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000776770126 880203178 /nfs/dbraw/zinc/20/31/78/880203178.db2.gz ZLEMUBXTJMGJPM-AWEZNQCLSA-N -1 0 392.412 3.962 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2nc3ccc(Cl)cc3s2)ccc1[N+](=O)[O-] ZINC000609690803 883526449 /nfs/dbraw/zinc/52/64/49/883526449.db2.gz DMLAZYFBBPKPJK-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2nc3c(cc(C)cc3C)s2)cc1[N+](=O)[O-] ZINC000006316299 883664488 /nfs/dbraw/zinc/66/44/88/883664488.db2.gz VDIBZFPBIYFTDO-UHFFFAOYSA-N -1 0 393.446 3.631 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccccc1 ZINC000152586138 884298523 /nfs/dbraw/zinc/29/85/23/884298523.db2.gz LBSUMYXLLLFTMI-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000193133026 884373537 /nfs/dbraw/zinc/37/35/37/884373537.db2.gz ZWDPHBMSVQDUFQ-UHFFFAOYSA-N -1 0 390.808 3.506 20 5 GHBDRM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000475826657 884518027 /nfs/dbraw/zinc/51/80/27/884518027.db2.gz OECXZBVTSQYINK-UHFFFAOYSA-N -1 0 382.266 3.693 20 5 GHBDRM O=C([O-])C1CCC(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000263556644 885188603 /nfs/dbraw/zinc/18/86/03/885188603.db2.gz 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COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000811675671 889861780 /nfs/dbraw/zinc/86/17/80/889861780.db2.gz KOLDJZSWMDMZFE-UHFFFAOYSA-N -1 0 391.232 3.849 20 5 GHBDRM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000811826616 890044371 /nfs/dbraw/zinc/04/43/71/890044371.db2.gz WXFXJRZYHRMVOF-UHFFFAOYSA-N -1 0 391.232 3.849 20 5 GHBDRM O=C([O-])/C=C/c1ccc(NCc2ccnc(OCC(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000917066106 890943044 /nfs/dbraw/zinc/94/30/44/890943044.db2.gz UJLSKKGCKNLGOU-DUXPYHPUSA-N -1 0 397.309 3.641 20 5 GHBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000263044612 892412857 /nfs/dbraw/zinc/41/28/57/892412857.db2.gz DXXPKRYFJWTOHH-CQSZACIVSA-N -1 0 388.445 3.523 20 5 GHBDRM CC(C)c1nc2cc([N-]S(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])ccc2o1 ZINC000917738685 892452835 /nfs/dbraw/zinc/45/28/35/892452835.db2.gz HJTLKOUDJREALF-UHFFFAOYSA-N -1 0 379.369 3.799 20 5 GHBDRM COc1ccc(C[C@@H](C)CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000563538365 893877885 /nfs/dbraw/zinc/87/78/85/893877885.db2.gz YZXVQKRRQFMTLI-CYBMUJFWSA-N -1 0 388.420 3.530 20 5 GHBDRM C[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C(=O)[O-] ZINC000563717421 894102410 /nfs/dbraw/zinc/10/24/10/894102410.db2.gz TVPFCKIMQOTHLW-SCLBCKFNSA-N -1 0 399.403 3.962 20 5 GHBDRM CCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000537366743 894838984 /nfs/dbraw/zinc/83/89/84/894838984.db2.gz YKBBFAWBQCOXAP-OAHLLOKOSA-N -1 0 380.759 3.505 20 5 GHBDRM O=C(NCCOCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000537382803 894870536 /nfs/dbraw/zinc/87/05/36/894870536.db2.gz GJJDWMXHJZCOAL-UHFFFAOYSA-N -1 0 385.203 3.554 20 5 GHBDRM Cc1sc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccc(C)cc1 ZINC000040945614 895872401 /nfs/dbraw/zinc/87/24/01/895872401.db2.gz NPTOJRIDQNEXRA-UHFFFAOYSA-N -1 0 389.458 3.558 20 5 GHBDRM O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001136058842 895960738 /nfs/dbraw/zinc/96/07/38/895960738.db2.gz SXJZETJEZOIMRZ-UHFFFAOYSA-N -1 0 380.385 3.929 20 5 GHBDRM C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000566235116 896193470 /nfs/dbraw/zinc/19/34/70/896193470.db2.gz QLKIKDGMQDOEHN-DYVFJYSZSA-N -1 0 384.388 3.570 20 5 GHBDRM Cc1cc(N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000566296651 896223755 /nfs/dbraw/zinc/22/37/55/896223755.db2.gz ANPCIAWMWFQASE-LBPRGKRZSA-N -1 0 386.248 3.765 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OC(C)C)cc([N+](=O)[O-])c1F ZINC000778567285 896808803 /nfs/dbraw/zinc/80/88/03/896808803.db2.gz SBASMYZRIQXGKV-UHFFFAOYSA-N -1 0 386.376 3.769 20 5 GHBDRM O=C(Nc1ccc(-n2cccn2)c(F)c1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001136301354 897149521 /nfs/dbraw/zinc/14/95/21/897149521.db2.gz ABMCRHXDJLBHSF-UHFFFAOYSA-N -1 0 376.731 3.531 20 5 GHBDRM Cc1ccccc1C1(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCOCC1 ZINC000568094843 897588483 /nfs/dbraw/zinc/58/84/83/897588483.db2.gz RARAJNJNXNKWPP-UHFFFAOYSA-N -1 0 384.432 3.691 20 5 GHBDRM Cc1cc(Br)cc(C)c1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001136476309 897990634 /nfs/dbraw/zinc/99/06/34/897990634.db2.gz NWZIAPPWHHJHBC-UHFFFAOYSA-N -1 0 379.210 3.610 20 5 GHBDRM CSc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000569494932 898712640 /nfs/dbraw/zinc/71/26/40/898712640.db2.gz DXGIIRBLDOPLKW-AWEZNQCLSA-N -1 0 398.799 3.665 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(c3c[nH]c4ccc(F)cc43)CC2)n1 ZINC000569930506 899029656 /nfs/dbraw/zinc/02/96/56/899029656.db2.gz IQGWAMCTDQKKAR-UHFFFAOYSA-N -1 0 384.367 3.692 20 5 GHBDRM CCCOc1ccc([C@H](C)Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000575871854 901414039 /nfs/dbraw/zinc/41/40/39/901414039.db2.gz SYDLIGZUYSTYNM-NSHDSACASA-N -1 0 375.381 3.659 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)ccc1[N+](=O)[O-] ZINC000576144583 901725615 /nfs/dbraw/zinc/72/56/15/901725615.db2.gz QGUMTZZUZZAHCX-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM CCCCC[C@H](NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC001186524056 914614570 /nfs/dbraw/zinc/61/45/70/914614570.db2.gz GQNOBCZAAJZDOH-INIZCTEOSA-N -1 0 378.450 3.900 20 5 GHBDRM CCCOc1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1OC ZINC000600664915 902799331 /nfs/dbraw/zinc/79/93/31/902799331.db2.gz JOOWFPUVNUFQOA-UHFFFAOYSA-N -1 0 380.422 3.501 20 5 GHBDRM C[C@@](NC(=O)CCc1ccc(C(F)F)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600874162 903035336 /nfs/dbraw/zinc/03/53/36/903035336.db2.gz IXECXANQPMNELZ-IBGZPJMESA-N -1 0 392.358 3.581 20 5 GHBDRM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600879113 903040618 /nfs/dbraw/zinc/04/06/18/903040618.db2.gz VNYCIVUJZVSSHG-CWTRNNRKSA-N -1 0 390.823 3.543 20 5 GHBDRM C[C@@H](C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000600880495 903040734 /nfs/dbraw/zinc/04/07/34/903040734.db2.gz ZYDOLOFIFACRKJ-ABKXIKBNSA-N -1 0 382.825 3.529 20 5 GHBDRM C[C@@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001171938406 905193410 /nfs/dbraw/zinc/19/34/10/905193410.db2.gz DFSWWZIGVAANTL-IBGZPJMESA-N -1 0 376.359 3.816 20 5 GHBDRM COc1cc(Br)c(O)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174504753 907080254 /nfs/dbraw/zinc/08/02/54/907080254.db2.gz IDNFHXXPFDDGTG-UHFFFAOYSA-N -1 0 383.154 3.513 20 5 GHBDRM O=C([O-])c1ccc(Nc2ccccc2S(=O)(=O)C2CCCC2)cc1[N+](=O)[O-] ZINC001174505853 907080732 /nfs/dbraw/zinc/08/07/32/907080732.db2.gz QIWYHFOLSBJRDF-UHFFFAOYSA-N -1 0 390.417 3.753 20 5 GHBDRM O=C([O-])c1ccc(Nc2cccc(F)c2OC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC001174505719 907080788 /nfs/dbraw/zinc/08/07/88/907080788.db2.gz KABHSRUOKHXHHB-GFCCVEGCSA-N -1 0 376.340 3.734 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)c1[N+](=O)[O-] ZINC000191778283 907238783 /nfs/dbraw/zinc/23/87/83/907238783.db2.gz RAEXWYOBQUGUHX-UHFFFAOYSA-N -1 0 396.475 3.592 20 5 GHBDRM CCOC(=O)Cc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(Cl)c1 ZINC001176680122 908208058 /nfs/dbraw/zinc/20/80/58/908208058.db2.gz QFWUTJFNNVNQLY-UHFFFAOYSA-N -1 0 378.768 3.796 20 5 GHBDRM CCOC(=O)/C(=C\c1ccc([N+](=O)[O-])c([O-])c1)c1nccn1Cc1ccccc1 ZINC000194661523 908908119 /nfs/dbraw/zinc/90/81/19/908908119.db2.gz YWKMXFYTIRFWNY-ATVHPVEESA-N -1 0 393.399 3.649 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000795389886 910156386 /nfs/dbraw/zinc/15/63/86/910156386.db2.gz ZNYXCXWZDCSFMP-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000269269145 910200666 /nfs/dbraw/zinc/20/06/66/910200666.db2.gz FODPXZZVNZELPJ-AREMUKBSSA-N -1 0 376.434 3.600 20 5 GHBDRM O=C(Nc1cc(-c2ccc(Br)o2)no1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001182986553 912201767 /nfs/dbraw/zinc/20/17/67/912201767.db2.gz MLMPCKMNMBYKEF-UHFFFAOYSA-N -1 0 394.137 3.563 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000290968580 914890615 /nfs/dbraw/zinc/89/06/15/914890615.db2.gz QPAOLIOFGXBUED-UHFFFAOYSA-N -1 0 385.351 3.601 20 5 GHBDRM CC(C)c1scnc1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000295273362 917243076 /nfs/dbraw/zinc/24/30/76/917243076.db2.gz ZLDGPUIAGHVHIH-UHFFFAOYSA-N -1 0 379.822 3.768 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc1[N+](=O)[O-] ZINC000119205183 919610157 /nfs/dbraw/zinc/61/01/57/919610157.db2.gz ATDYRGIIWJBDJV-UHFFFAOYSA-N -1 0 380.451 3.696 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000119182630 919610753 /nfs/dbraw/zinc/61/07/53/919610753.db2.gz ICZUTSQSHKHWBS-IBGZPJMESA-N -1 0 398.440 3.738 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000367707095 922276126 /nfs/dbraw/zinc/27/61/26/922276126.db2.gz LHIAVKVPLCLSSB-LLVKDONJSA-N -1 0 385.351 3.601 20 5 GHBDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n(C(C)(C)C)n1 ZINC000409582707 924781442 /nfs/dbraw/zinc/78/14/42/924781442.db2.gz RSZBBRIBFUOZLG-UHFFFAOYSA-N -1 0 398.460 3.784 20 5 GHBDRM CCC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000409670120 924875178 /nfs/dbraw/zinc/87/51/78/924875178.db2.gz XEWZFMFSQBOYPD-LLVKDONJSA-N -1 0 381.479 3.757 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000466952915 928537080 /nfs/dbraw/zinc/53/70/80/928537080.db2.gz CSESSAYTOFKWBN-UHFFFAOYSA-N -1 0 382.341 3.664 20 5 GHBDRM CC(C)CCOc1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000467077481 928668382 /nfs/dbraw/zinc/66/83/82/928668382.db2.gz BRJXHRZGZGZDRF-UHFFFAOYSA-N -1 0 380.422 3.526 20 5 GHBDRM CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1F ZINC000753066670 929187906 /nfs/dbraw/zinc/18/79/06/929187906.db2.gz UDPUSSKLZMZIEM-UHFFFAOYSA-N -1 0 388.804 3.895 20 5 GHBDRM Cc1nc2cc([N-]S(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)ccc2s1 ZINC000781120520 930707074 /nfs/dbraw/zinc/70/70/74/930707074.db2.gz OCCYXKXDZRRJKO-UHFFFAOYSA-N -1 0 381.410 3.761 20 5 GHBDRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000783874730 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GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCS[C@H](c2ccccc2)C1 ZINC001165440442 1026728318 /nfs/dbraw/zinc/72/83/18/1026728318.db2.gz MZRKXANLWFRSAG-HNNXBMFYSA-N -1 0 378.837 3.884 20 5 GHBDRM CCOC(=O)c1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(Br)c1 ZINC001210398452 1027487673 /nfs/dbraw/zinc/48/76/73/1027487673.db2.gz ZKOUGRNIIFAAPL-UHFFFAOYSA-N -1 0 381.182 3.983 20 5 GHBDRM CC(=O)c1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(I)c1 ZINC001210398047 1027487747 /nfs/dbraw/zinc/48/77/47/1027487747.db2.gz OBUURLVETALMNM-UHFFFAOYSA-N -1 0 398.156 3.851 20 5 GHBDRM COc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)ccc1I ZINC001210398690 1027490382 /nfs/dbraw/zinc/49/03/82/1027490382.db2.gz JJWGZWFUMSPVEX-UHFFFAOYSA-N -1 0 386.145 3.657 20 5 GHBDRM COc1cccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1I ZINC001210399455 1027490959 /nfs/dbraw/zinc/49/09/59/1027490959.db2.gz SXZAWDJYHYWUBZ-UHFFFAOYSA-N -1 0 386.145 3.657 20 5 GHBDRM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001210632062 1027581786 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COc1cc(Cl)cc(-c2noc(-c3cc(=O)c4cc([N+](=O)[O-])ccc4[n-]3)n2)c1 ZINC001217509959 1030453014 /nfs/dbraw/zinc/45/30/14/1030453014.db2.gz PTYWDZMJINPNDM-UHFFFAOYSA-N -1 0 398.762 3.815 20 5 GHBDRM CC(C)(C)OC(=O)N1CCC2(CC[C@H]2Oc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC001225488732 1031437053 /nfs/dbraw/zinc/43/70/53/1031437053.db2.gz JZDAWSAZWRBKKE-MRXNPFEDSA-N -1 0 378.425 3.859 20 5 GHBDRM COc1ccc2c(c1)nc(=O)[n-]c2O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001229139901 1033302321 /nfs/dbraw/zinc/30/23/21/1033302321.db2.gz NXXXTJBQXUCMGC-AWEZNQCLSA-N -1 0 395.293 3.935 20 5 GHBDRM CCCSc1nc(O[C@@H](C)c2ccc(C(=O)OC)cc2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229796959 1033723086 /nfs/dbraw/zinc/72/30/86/1033723086.db2.gz OMKWTRPYGXDFCD-JTQLQIEISA-N -1 0 393.421 3.519 20 5 GHBDRM COC(=O)[C@@H](Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc21)c1ccccc1 ZINC001229797826 1033723483 /nfs/dbraw/zinc/72/34/83/1033723483.db2.gz ORDRPJZBGPXSQH-FQEVSTJZSA-N -1 0 376.364 3.945 20 5 GHBDRM CCCCC1(NC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])CC1 ZINC001158865135 1034310033 /nfs/dbraw/zinc/31/00/33/1034310033.db2.gz CEIBTTREYFQFHF-UHFFFAOYSA-N -1 0 378.816 3.592 20 5 GHBDRM CC(C)=CCc1c([O-])cc(O[C@H]2CCOC2=O)c2c(=O)c3cccc(O)c3oc12 ZINC001234741899 1040268520 /nfs/dbraw/zinc/26/85/20/1040268520.db2.gz SYEGKYUARHJSGS-INIZCTEOSA-N -1 0 396.395 3.560 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC001298146087 1045714492 /nfs/dbraw/zinc/71/44/92/1045714492.db2.gz CZZITAYHAYPVLC-CYBMUJFWSA-N -1 0 391.221 3.693 20 5 GHBDRM O=C(N[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001299863691 1046072184 /nfs/dbraw/zinc/07/21/84/1046072184.db2.gz CGTDCXUNKVCILY-NSHDSACASA-N -1 0 385.807 3.722 20 5 GHBDRM Cc1cccc(-c2cccc(CNS(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2)c1 ZINC001309137222 1050393268 /nfs/dbraw/zinc/39/32/68/1050393268.db2.gz GIBCNKSVGSJSAN-UHFFFAOYSA-N -1 0 398.440 3.754 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCC[C@@H](c3ccccc3)CC2)ccc1[O-] ZINC001309900382 1051033334 /nfs/dbraw/zinc/03/33/34/1051033334.db2.gz HNLOUJYRQFPZHS-CVEARBPZSA-N -1 0 390.461 3.695 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(SC(F)(F)F)cc2)ccc1[O-] ZINC001317952617 1054325418 /nfs/dbraw/zinc/32/54/18/1054325418.db2.gz AFNVZHCPSOBUFU-UHFFFAOYSA-N -1 0 394.352 3.713 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC2CCCCC2)cc([N+](=O)[O-])c1C ZINC001318563706 1054720814 /nfs/dbraw/zinc/72/08/14/1054720814.db2.gz LBLQBLDTGLEYNT-ZDUSSCGKSA-N -1 0 382.482 3.623 20 5 GHBDRM COc1ccc(Cl)cc1-c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC001452334151 1060924819 /nfs/dbraw/zinc/92/48/19/1060924819.db2.gz FTQJQEOIQQIEKA-UHFFFAOYSA-N -1 0 388.767 3.605 20 5 GHBDRM Cc1ccccc1-n1ncc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1C(F)F ZINC001452696812 1060989749 /nfs/dbraw/zinc/98/97/49/1060989749.db2.gz XHOGNVACTYWRIF-UHFFFAOYSA-N -1 0 388.330 3.984 20 5 GHBDRM Cc1ccc(CNC(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])cc1[N+](=O)[O-] ZINC001454900030 1061953822 /nfs/dbraw/zinc/95/38/22/1061953822.db2.gz NIUVYFJFKBVHPL-UHFFFAOYSA-N -1 0 380.356 3.611 20 5 GHBDRM CCC[C@@H](C)CCNC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001455269115 1062082421 /nfs/dbraw/zinc/08/24/21/1062082421.db2.gz ZBBGCHMNPUDJON-LLVKDONJSA-N -1 0 380.832 3.696 20 5 GHBDRM O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1CCC2(CCCC2)C1 ZINC001347814991 1062694926 /nfs/dbraw/zinc/69/49/26/1062694926.db2.gz CNBCYVQKLQQQMD-UHFFFAOYSA-N -1 0 390.827 3.546 20 5 GHBDRM Cc1ccc(CCN(CC(F)(F)F)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC001465418599 1065599126 /nfs/dbraw/zinc/59/91/26/1065599126.db2.gz JGSSUEHIPLWYOG-UHFFFAOYSA-N -1 0 382.338 3.856 20 5 GHBDRM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001460302490 1068914778 /nfs/dbraw/zinc/91/47/78/1068914778.db2.gz ZKHLBGDWIGSTJI-HZSPNIEDSA-N -1 0 379.457 3.519 20 5 GHBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC001475388037 1074857649 /nfs/dbraw/zinc/85/76/49/1074857649.db2.gz WJAGDHDOOBIVDW-HIFRSBDPSA-N -1 0 395.868 3.648 20 5 GHBDRM CC1(C)CCC[C@@H]1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001475520412 1074903509 /nfs/dbraw/zinc/90/35/09/1074903509.db2.gz NCRSKEDKTLDQIR-SNVBAGLBSA-N -1 0 378.853 3.882 20 5 GHBDRM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC001475615118 1074927890 /nfs/dbraw/zinc/92/78/90/1074927890.db2.gz QUZGXFNIYYUDEL-MRVPVSSYSA-N -1 0 399.787 3.568 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](c1cccc(Cl)c1)C(F)F ZINC001475616309 1074928362 /nfs/dbraw/zinc/92/83/62/1074928362.db2.gz QXSVLMHCNFHAIL-ZDUSSCGKSA-N -1 0 390.795 3.841 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[C@@H]2C=CCC2)c(C(F)(F)F)c1 ZINC001475639176 1074990324 /nfs/dbraw/zinc/99/03/24/1074990324.db2.gz PVOQTNOOMFRSPL-LLVKDONJSA-N -1 0 378.372 3.638 20 5 GHBDRM COc1ccc(CC(=O)Oc2cc3ccccc3cc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000737985294 599731979 /nfs/dbraw/zinc/73/19/79/599731979.db2.gz UGBWBQNJNFFYHV-UHFFFAOYSA-N -1 0 381.340 3.603 20 5 GHBDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000538505202 599852346 /nfs/dbraw/zinc/85/23/46/599852346.db2.gz KOIXDLRHACDDQX-CQSZACIVSA-N -1 0 394.836 3.916 20 5 GHBDRM COC(=O)c1sc2ccccc2c1COc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000737722868 599908207 /nfs/dbraw/zinc/90/82/07/599908207.db2.gz CWYZJVIEORRJRW-UHFFFAOYSA-N -1 0 387.369 3.873 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000262458856 599936185 /nfs/dbraw/zinc/93/61/85/599936185.db2.gz QKEKFEKRTWCQHK-SUMWQHHRSA-N -1 0 388.445 3.798 20 5 GHBDRM O=C([O-])c1ccc(-c2csc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)n2)cc1 ZINC000740099464 599995460 /nfs/dbraw/zinc/99/54/60/599995460.db2.gz YUASOSIMZVKVCW-UHFFFAOYSA-N -1 0 387.348 3.808 20 5 GHBDRM COc1cc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000485816277 600067104 /nfs/dbraw/zinc/06/71/04/600067104.db2.gz SLODHHPBIALVAL-UHFFFAOYSA-N -1 0 390.417 3.564 20 5 GHBDRM O=C([O-])c1ccc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cn1 ZINC000609763327 600281804 /nfs/dbraw/zinc/28/18/04/600281804.db2.gz ZGSCNKMTRKXJKC-UHFFFAOYSA-N -1 0 379.328 3.733 20 5 GHBDRM O=C([O-])[C@@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000740296555 600320895 /nfs/dbraw/zinc/32/08/95/600320895.db2.gz ABQUBPJTOYLRID-INIZCTEOSA-N -1 0 390.779 3.805 20 5 GHBDRM O=C([O-])CCCOc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000739686936 600481550 /nfs/dbraw/zinc/48/15/50/600481550.db2.gz YVRHWBZTXYSTDK-UHFFFAOYSA-N -1 0 384.344 3.837 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2cccnc2Nc2ccccc2F)cc([N+](=O)[O-])c1 ZINC000740087562 600544002 /nfs/dbraw/zinc/54/40/02/600544002.db2.gz DOTVSHQHRPTBNG-UHFFFAOYSA-N -1 0 396.334 3.823 20 5 GHBDRM Cc1cccc(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])c1[N+](=O)[O-] ZINC000237916048 600606658 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847865733 /nfs/dbraw/zinc/86/57/33/847865733.db2.gz UBRSHSWQNCMMEB-GFCCVEGCSA-N -1 0 396.494 3.539 20 5 GHBDRM CN(Cc1cscn1)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000185928167 861973952 /nfs/dbraw/zinc/97/39/52/861973952.db2.gz KRAZBQGSERPHJG-UHFFFAOYSA-N -1 0 398.444 3.641 20 5 GHBDRM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n[nH]1 ZINC000434972268 849959482 /nfs/dbraw/zinc/95/94/82/849959482.db2.gz FXUGAYNSJGSVNB-UHFFFAOYSA-N -1 0 386.433 3.711 20 5 GHBDRM COc1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])c(Br)c1 ZINC000504712964 850254798 /nfs/dbraw/zinc/25/47/98/850254798.db2.gz TVMSVBDPRZHZHU-HWKANZROSA-N -1 0 379.166 3.630 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cccn2)cc1[N+](=O)[O-] ZINC000466958638 850264640 /nfs/dbraw/zinc/26/46/40/850264640.db2.gz XCFKJGBBQYFUAR-UHFFFAOYSA-N -1 0 398.853 3.605 20 5 GHBDRM C[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000424253253 850314449 /nfs/dbraw/zinc/31/44/49/850314449.db2.gz KPBZXXXEVSUWDS-KUHUBIRLSA-N -1 0 397.431 3.532 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]2c2cccc3ccccc32)ccc1[O-] ZINC000604375077 862157170 /nfs/dbraw/zinc/15/71/70/862157170.db2.gz MZXFYJKVNONEGD-SFHVURJKSA-N -1 0 398.440 3.979 20 5 GHBDRM CCn1cc(S(=O)(=O)[N-]c2ccccc2SC2CCCC2)c([N+](=O)[O-])n1 ZINC000435723605 850808573 /nfs/dbraw/zinc/80/85/73/850808573.db2.gz TVWGBKYTVFLHRB-UHFFFAOYSA-N -1 0 396.494 3.647 20 5 GHBDRM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1 ZINC000488248241 851309887 /nfs/dbraw/zinc/30/98/87/851309887.db2.gz CCMPPWLGERJAIK-LLVKDONJSA-N -1 0 398.412 3.721 20 5 GHBDRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000430084445 851538028 /nfs/dbraw/zinc/53/80/28/851538028.db2.gz YETHVNJVDNFLOO-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000164292280 852108819 /nfs/dbraw/zinc/10/88/19/852108819.db2.gz XKAHGTQNKFQQEO-UHFFFAOYSA-N -1 0 395.346 3.944 20 5 GHBDRM COc1ccc(N(Cc2ccco2)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1F ZINC000436635083 852129183 /nfs/dbraw/zinc/12/91/83/852129183.db2.gz JJWLGHLSDZAJCV-UHFFFAOYSA-N -1 0 386.335 3.888 20 5 GHBDRM C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436636926 852130895 /nfs/dbraw/zinc/13/08/95/852130895.db2.gz XIZHNYBNSOMAQA-NSHDSACASA-N -1 0 393.237 3.814 20 5 GHBDRM O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436669495 852167765 /nfs/dbraw/zinc/16/77/65/852167765.db2.gz MHKISCRSTFCPKM-UHFFFAOYSA-N -1 0 398.419 3.961 20 5 GHBDRM Cc1ccc(-n2nc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])c3c2CCC3)c(F)c1 ZINC000436704911 852221635 /nfs/dbraw/zinc/22/16/35/852221635.db2.gz QPAOWXKSFCAMRP-UHFFFAOYSA-N -1 0 396.378 3.675 20 5 GHBDRM COc1ccc(CN=c2[n-]nc(Cc3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] ZINC000489322604 852230555 /nfs/dbraw/zinc/23/05/55/852230555.db2.gz NHSGFYCZMOYOLZ-UHFFFAOYSA-N -1 0 390.852 3.733 20 5 GHBDRM CC(C)(C)OC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000732524423 862336178 /nfs/dbraw/zinc/33/61/78/862336178.db2.gz BWQOVFKFQUGBOY-UHFFFAOYSA-N -1 0 399.450 3.804 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000506211815 852282450 /nfs/dbraw/zinc/28/24/50/852282450.db2.gz UWGJZWPTPQBKDG-MRXNPFEDSA-N -1 0 397.214 3.821 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000436768128 852323444 /nfs/dbraw/zinc/32/34/44/852323444.db2.gz DBOOHAFLMAWWPR-NSHDSACASA-N -1 0 378.787 3.940 20 5 GHBDRM Cc1cc(Br)c2c(c1)CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC000436823781 852392343 /nfs/dbraw/zinc/39/23/43/852392343.db2.gz CWHZKXYSPYXEBN-UHFFFAOYSA-N -1 0 391.221 3.570 20 5 GHBDRM Cc1cc(Br)c2c(c1)CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])CC2 ZINC000436824512 852393882 /nfs/dbraw/zinc/39/38/82/852393882.db2.gz HHXLMBWBDWFVMO-UHFFFAOYSA-N -1 0 391.221 3.570 20 5 GHBDRM CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436828293 852397125 /nfs/dbraw/zinc/39/71/25/852397125.db2.gz LUEYTRRZLAUCHZ-UHFFFAOYSA-N -1 0 384.310 3.514 20 5 GHBDRM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1nc(-c2ccccc2)cs1 ZINC000426813628 852424118 /nfs/dbraw/zinc/42/41/18/852424118.db2.gz YGQUGLSDFGSVEC-HNNXBMFYSA-N -1 0 383.429 3.504 20 5 GHBDRM COc1ccc(-c2ccc(CN[C@H](C(=O)[O-])c3cccs3)o2)c([N+](=O)[O-])c1 ZINC000426815302 852427152 /nfs/dbraw/zinc/42/71/52/852427152.db2.gz DZRSRAOLZBBYAJ-KRWDZBQOSA-N -1 0 388.401 3.840 20 5 GHBDRM Cc1cc(Br)ccc1CN(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436900386 852487496 /nfs/dbraw/zinc/48/74/96/852487496.db2.gz HNJAHYVVHCKDJK-UHFFFAOYSA-N -1 0 379.210 3.644 20 5 GHBDRM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436949043 852530952 /nfs/dbraw/zinc/53/09/52/852530952.db2.gz LGPISCLMIZXZNP-CYBMUJFWSA-N -1 0 383.404 3.567 20 5 GHBDRM Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436963796 852535577 /nfs/dbraw/zinc/53/55/77/852535577.db2.gz HJDOOTNLYNXBEV-UHFFFAOYSA-N -1 0 388.380 3.577 20 5 GHBDRM O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436985991 852595369 /nfs/dbraw/zinc/59/53/69/852595369.db2.gz DTRIJKHCMSXDSQ-NSHDSACASA-N -1 0 396.230 3.616 20 5 GHBDRM C[C@H](Oc1cccnc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000490316863 852919033 /nfs/dbraw/zinc/91/90/33/852919033.db2.gz RETULXQCLWXYQD-AWEZNQCLSA-N -1 0 399.428 3.931 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1[N+](=O)[O-] ZINC000427308453 852968019 /nfs/dbraw/zinc/96/80/19/852968019.db2.gz LQYDTPXISMQVSZ-UHFFFAOYSA-N -1 0 379.419 3.729 20 5 GHBDRM O=C(CCSc1ccc2c(c1)OCCCO2)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000571070540 853728906 /nfs/dbraw/zinc/72/89/06/853728906.db2.gz WXHVYIOOZBJNEI-UHFFFAOYSA-N -1 0 390.417 3.583 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc(N3CC[C@@H](C)[C@@H](C(=O)[O-])C3)c([N+](=O)[O-])c2)cc1 ZINC000572121497 854400994 /nfs/dbraw/zinc/40/09/94/854400994.db2.gz YKDGQOVFLRSOJX-PBHICJAKSA-N -1 0 397.431 3.703 20 5 GHBDRM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cc(C)c([N+](=O)[O-])cc3F)cc2)o1 ZINC000590598266 855504469 /nfs/dbraw/zinc/50/44/69/855504469.db2.gz SPGDJOHVHZKFHZ-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000590701225 855552453 /nfs/dbraw/zinc/55/24/53/855552453.db2.gz OVFAEGGOADDTEN-QGZVFWFLSA-N -1 0 386.404 3.673 20 5 GHBDRM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184732418 855674750 /nfs/dbraw/zinc/67/47/50/855674750.db2.gz ZFNBUYKOCKEQRI-KRWDZBQOSA-N -1 0 380.404 3.647 20 5 GHBDRM C[C@H](c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000554452443 855912804 /nfs/dbraw/zinc/91/28/04/855912804.db2.gz OOSIGYFONVLCHZ-CYBMUJFWSA-N -1 0 389.839 3.830 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc2cc(Cl)ccc2s1 ZINC000171152484 855990840 /nfs/dbraw/zinc/99/08/40/855990840.db2.gz FTHZPYXKWNHCFV-UHFFFAOYSA-N -1 0 399.837 3.667 20 5 GHBDRM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000172183331 856055785 /nfs/dbraw/zinc/05/57/85/856055785.db2.gz HSGWXDWVJAHSCA-UHFFFAOYSA-N -1 0 391.449 3.751 20 5 GHBDRM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000485101199 856093346 /nfs/dbraw/zinc/09/33/46/856093346.db2.gz HKUCRPCDTQJNPI-UHFFFAOYSA-N -1 0 396.222 3.639 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2ccncc2)c(C)c1 ZINC000427644519 856397082 /nfs/dbraw/zinc/39/70/82/856397082.db2.gz JDVAVSZJHZQYBZ-UHFFFAOYSA-N -1 0 399.428 3.775 20 5 GHBDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000592378505 856824066 /nfs/dbraw/zinc/82/40/66/856824066.db2.gz BKDUUHSOLIYYPB-OLZOCXBDSA-N -1 0 386.429 3.729 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C ZINC000173576851 857003052 /nfs/dbraw/zinc/00/30/52/857003052.db2.gz VRGCWZCZLNZARG-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC001128974232 857117899 /nfs/dbraw/zinc/11/78/99/857117899.db2.gz DMWWGWHDHOOAPB-UHFFFAOYSA-N -1 0 395.337 3.642 20 5 GHBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)CCCc2cc(-c3ccccc3)no2)n1 ZINC000520818437 857256629 /nfs/dbraw/zinc/25/66/29/857256629.db2.gz MEWFIYRVQAIDNA-UHFFFAOYSA-N -1 0 396.403 3.720 20 5 GHBDRM CCOc1cccc(-c2cccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])n2)c1 ZINC000485998966 857309078 /nfs/dbraw/zinc/30/90/78/857309078.db2.gz AVPIGNLGGGCEJM-UHFFFAOYSA-N -1 0 399.428 3.856 20 5 GHBDRM Cc1c(-c2cc(F)ccc2OC[C@@H]2CCOC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000574413161 857792555 /nfs/dbraw/zinc/79/25/55/857792555.db2.gz HUMJVEYPCVOWNU-GFCCVEGCSA-N -1 0 375.352 3.823 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)on2)s1 ZINC000486578293 857880571 /nfs/dbraw/zinc/88/05/71/857880571.db2.gz WCMKSXQRSXRYBX-UHFFFAOYSA-N -1 0 385.810 3.766 20 5 GHBDRM COCc1nc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(-c2ccccc2)s1 ZINC000442969692 858278713 /nfs/dbraw/zinc/27/87/13/858278713.db2.gz DDHGXBLKVBKMPG-UHFFFAOYSA-N -1 0 399.428 3.500 20 5 GHBDRM CSCc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000184888985 858283310 /nfs/dbraw/zinc/28/33/10/858283310.db2.gz HMRCHNSDYXATCE-UHFFFAOYSA-N -1 0 389.458 3.807 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000055275295 858591169 /nfs/dbraw/zinc/59/11/69/858591169.db2.gz YOLSFDDPLIGPFK-UHFFFAOYSA-N -1 0 376.312 3.603 20 5 GHBDRM Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160243687 858733432 /nfs/dbraw/zinc/73/34/32/858733432.db2.gz LCNOUGFBYLQLTC-QGZVFWFLSA-N -1 0 392.415 3.983 20 5 GHBDRM O=C([O-])CC[C@@H]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000595973670 858736131 /nfs/dbraw/zinc/73/61/31/858736131.db2.gz IGIRAVTYFDPLQE-VIFPVBQESA-N -1 0 397.300 3.725 20 5 GHBDRM O=C([O-])[C@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])C1CCC1 ZINC000595978500 858737481 /nfs/dbraw/zinc/73/74/81/858737481.db2.gz 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Cc1cc(Br)ccc1CN(C)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000557014710 881533062 /nfs/dbraw/zinc/53/30/62/881533062.db2.gz WJIDWMHNVBTPSO-UHFFFAOYSA-N -1 0 379.210 3.644 20 5 GHBDRM Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000060934582 860361699 /nfs/dbraw/zinc/36/16/99/860361699.db2.gz AICLJLRJHMZKLI-UHFFFAOYSA-N -1 0 395.746 3.650 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ncc(Cc2cccc(F)c2)s1 ZINC000125616029 860724771 /nfs/dbraw/zinc/72/47/71/860724771.db2.gz JGBWJUISWZBCDJ-UHFFFAOYSA-N -1 0 393.421 3.582 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000509089972 860952211 /nfs/dbraw/zinc/95/22/11/860952211.db2.gz PIWLIYPJYRPHEZ-UHFFFAOYSA-N -1 0 390.339 3.731 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000593738286 861117579 /nfs/dbraw/zinc/11/75/79/861117579.db2.gz AUZXEXBNNVCXBP-UHFFFAOYSA-N -1 0 386.248 3.610 20 5 GHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1 ZINC000593745132 861137417 /nfs/dbraw/zinc/13/74/17/861137417.db2.gz ZPZAISAAPPPBSC-QGZVFWFLSA-N -1 0 394.786 3.659 20 5 GHBDRM C[C@H](c1ccccc1Br)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000159990674 863226192 /nfs/dbraw/zinc/22/61/92/863226192.db2.gz DBFZVFBTPRGWNB-SNVBAGLBSA-N -1 0 379.210 3.896 20 5 GHBDRM CCc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cnn1C(CC)CC ZINC000480217187 864280690 /nfs/dbraw/zinc/28/06/90/864280690.db2.gz APUCQSPBJRRTIX-UHFFFAOYSA-N -1 0 396.469 3.524 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H](C)c2ccccc2C)cc([N+](=O)[O-])c1C ZINC000734963806 864546969 /nfs/dbraw/zinc/54/69/69/864546969.db2.gz NMQUWXUEEXHXKH-AWEZNQCLSA-N -1 0 390.461 3.519 20 5 GHBDRM CCOc1cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c([N+](=O)[O-])cc1OC ZINC000262491634 865035513 /nfs/dbraw/zinc/03/55/13/865035513.db2.gz JIQSIGHVWABTQU-UHFFFAOYSA-N -1 0 388.376 3.569 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000736419453 865202970 /nfs/dbraw/zinc/20/29/70/865202970.db2.gz 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Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)cc1[N+](=O)[O-] ZINC000493030999 878041290 /nfs/dbraw/zinc/04/12/90/878041290.db2.gz HTIIWJNLBIBLAN-UHFFFAOYSA-N -1 0 376.221 3.714 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)[nH]nc1-c1ccccc1 ZINC000538004058 878657777 /nfs/dbraw/zinc/65/77/77/878657777.db2.gz HIFMLLVIYBQYDB-UHFFFAOYSA-N -1 0 386.433 3.711 20 5 GHBDRM Cc1nc2cc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)ccc2n1C ZINC000530960682 878806441 /nfs/dbraw/zinc/80/64/41/878806441.db2.gz YHEZENVCDACUSL-UHFFFAOYSA-N -1 0 394.840 3.553 20 5 GHBDRM O=C(Nc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000063878426 879308928 /nfs/dbraw/zinc/30/89/28/879308928.db2.gz VGZDKENNQYDUNA-UHFFFAOYSA-N -1 0 397.412 3.648 20 5 GHBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461328920 879587031 /nfs/dbraw/zinc/58/70/31/879587031.db2.gz BRSUFMAKXGEXPP-UHFFFAOYSA-N -1 0 396.368 3.875 20 5 GHBDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)c1C ZINC000790417468 879698815 /nfs/dbraw/zinc/69/88/15/879698815.db2.gz KJOHMBFTHNHJBN-JTQLQIEISA-N -1 0 386.861 3.833 20 5 GHBDRM Cc1nc2ccc(Cl)cn2c1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000790639174 879877090 /nfs/dbraw/zinc/87/70/90/879877090.db2.gz WZPYCIPUWIQQGJ-UHFFFAOYSA-N -1 0 394.840 3.622 20 5 GHBDRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000112663128 880064556 /nfs/dbraw/zinc/06/45/56/880064556.db2.gz IBMMCOZWOPBTQT-UHFFFAOYSA-N -1 0 388.804 3.814 20 5 GHBDRM CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000761618370 881320211 /nfs/dbraw/zinc/32/02/11/881320211.db2.gz GBTDBHWXLIKQPI-MRXNPFEDSA-N -1 0 394.836 3.625 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1OC(C)C ZINC000760524973 883404838 /nfs/dbraw/zinc/40/48/38/883404838.db2.gz MPNJXQBILJYPGW-UHFFFAOYSA-N -1 0 398.412 3.639 20 5 GHBDRM CC(=C([O-])c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477050044 883614493 /nfs/dbraw/zinc/61/44/93/883614493.db2.gz OIGJQAALZWRHRT-JTQLQIEISA-N -1 0 387.335 3.659 20 5 GHBDRM Cc1ccc(Br)c(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000475823728 884327646 /nfs/dbraw/zinc/32/76/46/884327646.db2.gz GSDFGFDYEBVSRW-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM Cc1cc(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])c(C)n1C[C@@H]1CCCOC1 ZINC000860364927 884605776 /nfs/dbraw/zinc/60/57/76/884605776.db2.gz QDZPWGXNKZRSPY-HNNXBMFYSA-N -1 0 388.420 3.502 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c(Cl)c1Cl ZINC000475828661 884641704 /nfs/dbraw/zinc/64/17/04/884641704.db2.gz KTMVFVCCSNDGET-UHFFFAOYSA-N -1 0 395.195 3.850 20 5 GHBDRM CC[C@H](c1n[n-]c(=NC(=O)NCc2ccccc2[N+](=O)[O-])s1)c1ccccc1 ZINC000609290316 884679985 /nfs/dbraw/zinc/67/99/85/884679985.db2.gz IOKLBQYUJRBYMG-HNNXBMFYSA-N -1 0 397.460 3.732 20 5 GHBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-c3cccc([N+](=O)[O-])c3)s2)[nH]1 ZINC000806562221 884814528 /nfs/dbraw/zinc/81/45/28/884814528.db2.gz FPKIVNNTXOIRDZ-XQRVVYSFSA-N -1 0 386.345 3.603 20 5 GHBDRM CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000860593154 884835841 /nfs/dbraw/zinc/83/58/41/884835841.db2.gz ZWPSIQUMVRPPRY-NSHDSACASA-N -1 0 397.815 3.506 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000537543558 885131072 /nfs/dbraw/zinc/13/10/72/885131072.db2.gz VSTFSCPCZYSLAR-AWEZNQCLSA-N -1 0 392.795 3.764 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000556767092 886091163 /nfs/dbraw/zinc/09/11/63/886091163.db2.gz HGYYCFMBBOGUHO-LBPRGKRZSA-N -1 0 383.429 3.930 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)nc2)c1Cl ZINC000821139938 913011319 /nfs/dbraw/zinc/01/13/19/913011319.db2.gz JSIVDLOEWCNWER-UHFFFAOYSA-N -1 0 382.612 3.751 20 5 GHBDRM COc1ccnc2c([N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])cccc12 ZINC000536609552 887543826 /nfs/dbraw/zinc/54/38/26/887543826.db2.gz FWDPNYOOWVSGRB-UHFFFAOYSA-N -1 0 387.417 3.569 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000916171726 888807856 /nfs/dbraw/zinc/80/78/56/888807856.db2.gz SABDKQDJQFRAEM-UHFFFAOYSA-N -1 0 390.442 3.545 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000811723507 889922787 /nfs/dbraw/zinc/92/27/87/889922787.db2.gz PEHCRKCMPKLKPC-UHFFFAOYSA-N -1 0 385.785 3.520 20 5 GHBDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)C ZINC000916752786 890188780 /nfs/dbraw/zinc/18/87/80/890188780.db2.gz AWOVLXDIGFSHJM-JTQLQIEISA-N -1 0 376.862 3.516 20 5 GHBDRM O=C([O-])/C=C\c1ccc(NCc2ccc(N3CCCCC3)nc2)c([N+](=O)[O-])c1 ZINC000917076843 890981675 /nfs/dbraw/zinc/98/16/75/890981675.db2.gz SXHIVECZDPVXTK-TWGQIWQCSA-N -1 0 382.420 3.690 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c1C ZINC000498009045 892981745 /nfs/dbraw/zinc/98/17/45/892981745.db2.gz MPIXGNBCOXLTLN-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)c1 ZINC001185154722 913722070 /nfs/dbraw/zinc/72/20/70/913722070.db2.gz MWBPOXFSWQGPTK-INIZCTEOSA-N -1 0 384.816 3.817 20 5 GHBDRM COc1ccc(C[C@H](C)CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000563538366 893878289 /nfs/dbraw/zinc/87/82/89/893878289.db2.gz YZXVQKRRQFMTLI-ZDUSSCGKSA-N -1 0 388.420 3.530 20 5 GHBDRM C[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1C(=O)[O-] ZINC000563717419 894102452 /nfs/dbraw/zinc/10/24/52/894102452.db2.gz TVPFCKIMQOTHLW-ACJLOTCBSA-N -1 0 399.403 3.962 20 5 GHBDRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000816108119 894506042 /nfs/dbraw/zinc/50/60/42/894506042.db2.gz YKPDCMXHEPIZSK-INIZCTEOSA-N -1 0 396.852 3.705 20 5 GHBDRM Cc1ccc([C@H](NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])cc1C ZINC000564155527 894659434 /nfs/dbraw/zinc/65/94/34/894659434.db2.gz LJJSCRMCRGNQPS-KDOFPFPSSA-N -1 0 385.420 3.706 20 5 GHBDRM COc1ccc(CC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)cc1[N+](=O)[O-] ZINC000537401121 894916565 /nfs/dbraw/zinc/91/65/65/894916565.db2.gz NDMCUQNXDNSNHI-UHFFFAOYSA-N -1 0 386.385 3.698 20 5 GHBDRM CCOc1ccc(C2=CCN(c3nc(C)cc(C(=O)[O-])c3[N+](=O)[O-])CC2)cc1 ZINC000565034474 895357868 /nfs/dbraw/zinc/35/78/68/895357868.db2.gz GZFJDSFSUUDVPM-UHFFFAOYSA-N -1 0 383.404 3.689 20 5 GHBDRM CCN(c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1)C(C)C ZINC000817938219 895967231 /nfs/dbraw/zinc/96/72/31/895967231.db2.gz GZAKYKCOFXSMMN-UHFFFAOYSA-N -1 0 393.465 3.639 20 5 GHBDRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000566032614 896059211 /nfs/dbraw/zinc/05/92/11/896059211.db2.gz NTENRJDCHXAGMN-UHFFFAOYSA-N -1 0 378.454 3.714 20 5 GHBDRM O=C([O-])/C=C\c1ccc(NCCc2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000818296881 896105614 /nfs/dbraw/zinc/10/56/14/896105614.db2.gz VGSMPLWUEANCSY-CLFYSBASSA-N -1 0 378.388 3.533 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2cccnc12 ZINC000129620438 896776390 /nfs/dbraw/zinc/77/63/90/896776390.db2.gz OVLQDQMNLKSOLR-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM COCCCOc1ccccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001136355546 897386637 /nfs/dbraw/zinc/38/66/37/897386637.db2.gz ZUSLXWQDIOBMIZ-UHFFFAOYSA-N -1 0 380.784 3.621 20 5 GHBDRM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001136384619 897576602 /nfs/dbraw/zinc/57/66/02/897576602.db2.gz PQDLDNZRIQWRTQ-LBPRGKRZSA-N -1 0 378.812 3.768 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc2nc(Cl)sc2c1 ZINC000821097773 897741451 /nfs/dbraw/zinc/74/14/51/897741451.db2.gz XSSAOHFPHWQEMU-UHFFFAOYSA-N -1 0 387.801 3.798 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)sc1C ZINC000569495028 898712589 /nfs/dbraw/zinc/71/25/89/898712589.db2.gz GLTHWJONXVQQLZ-UHFFFAOYSA-N -1 0 391.268 3.836 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2onc(C3CCCCC3)c2C)c([N+](=O)[O-])c1 ZINC000569635308 898838225 /nfs/dbraw/zinc/83/82/25/898838225.db2.gz XNIZMHYDSBVVMC-UHFFFAOYSA-N -1 0 395.437 3.748 20 5 GHBDRM CC(C)(C)CCCNC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001136893464 899663522 /nfs/dbraw/zinc/66/35/22/899663522.db2.gz XYEUQQTZRZIUGI-UHFFFAOYSA-N -1 0 380.832 3.696 20 5 GHBDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000571547066 899907020 /nfs/dbraw/zinc/90/70/20/899907020.db2.gz BRHGURHEOXDOGB-INIZCTEOSA-N -1 0 375.356 3.804 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(Cc2ccncc2)cc1 ZINC000135698519 900364136 /nfs/dbraw/zinc/36/41/36/900364136.db2.gz KXJGLQWNUDAMIW-UHFFFAOYSA-N -1 0 387.392 3.521 20 5 GHBDRM O=C([O-])c1ccnc(N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000844212579 900607126 /nfs/dbraw/zinc/60/71/26/900607126.db2.gz JEXRMSLUZUXIAT-NSHDSACASA-N -1 0 381.310 3.701 20 5 GHBDRM O=C([O-])c1cnc(N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 ZINC000844212259 900608634 /nfs/dbraw/zinc/60/86/34/900608634.db2.gz TWKPGXFBRASHDD-NSHDSACASA-N -1 0 381.310 3.701 20 5 GHBDRM Cc1ccc(C2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)cn1 ZINC000575925663 901481558 /nfs/dbraw/zinc/48/15/58/901481558.db2.gz WQCOYJMIFODQDS-UHFFFAOYSA-N -1 0 375.812 3.677 20 5 GHBDRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000576654923 902162523 /nfs/dbraw/zinc/16/25/23/902162523.db2.gz ZGRPJZMPMCTPGM-UHFFFAOYSA-N -1 0 383.495 3.976 20 5 GHBDRM COc1cccc(NC2CCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)CC2)c1 ZINC000577182456 902569580 /nfs/dbraw/zinc/56/95/80/902569580.db2.gz LUPQEABEFGMKPR-UHFFFAOYSA-N -1 0 385.420 3.691 20 5 GHBDRM CC(C)c1ccc(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)cc1[N+](=O)[O-] ZINC000600869906 903028868 /nfs/dbraw/zinc/02/88/68/903028868.db2.gz NBPRUGCIHBUPBP-LLVKDONJSA-N -1 0 390.367 3.962 20 5 GHBDRM CCOc1ccc(N(CC2CC2)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000600872546 903031677 /nfs/dbraw/zinc/03/16/77/903031677.db2.gz QMJLGEHNHLBDEL-UHFFFAOYSA-N -1 0 384.388 3.749 20 5 GHBDRM CC[C@H]1CCCCCN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001147325725 903758624 /nfs/dbraw/zinc/75/86/24/903758624.db2.gz HDZFFFBBAKJXQX-ZDUSSCGKSA-N -1 0 392.843 3.934 20 5 GHBDRM CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C12CCC2 ZINC001147406571 903782187 /nfs/dbraw/zinc/78/21/87/903782187.db2.gz NAHDQUFTRFGTLZ-KBPBESRZSA-N -1 0 382.844 3.810 20 5 GHBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CCCc3cn(C4CCCC4)nc32)n1 ZINC000579235952 904447502 /nfs/dbraw/zinc/44/75/02/904447502.db2.gz PHYXCTKCOVGPJT-OAHLLOKOSA-N -1 0 385.424 3.798 20 5 GHBDRM CSc1cccc(C(=O)[N-]S(=O)(=O)c2cccc(C(C)C)c2)c1[N+](=O)[O-] ZINC000777336192 906367894 /nfs/dbraw/zinc/36/78/94/906367894.db2.gz QDLRWULSERDSAH-UHFFFAOYSA-N -1 0 394.474 3.559 20 5 GHBDRM O=C([O-])c1ccc(Nc2cccc(C(=O)NCc3ccccc3)c2)cc1[N+](=O)[O-] ZINC001174504978 907079799 /nfs/dbraw/zinc/07/97/99/907079799.db2.gz NXFPQBVZOHEHPH-UHFFFAOYSA-N -1 0 391.383 3.967 20 5 GHBDRM COC(=O)c1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC001174504544 907080333 /nfs/dbraw/zinc/08/03/33/907080333.db2.gz SXXDMMVRMPBJTC-UHFFFAOYSA-N -1 0 384.266 3.842 20 5 GHBDRM O=C([O-])c1ccc(Nc2ccc(OC[C@@H]3CCCO3)c(F)c2)cc1[N+](=O)[O-] ZINC001174504379 907080509 /nfs/dbraw/zinc/08/05/09/907080509.db2.gz BFPZLAIPNHRLLU-ZDUSSCGKSA-N -1 0 376.340 3.734 20 5 GHBDRM NC(=O)c1cc(-c2ccccc2)sc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176672702 908202738 /nfs/dbraw/zinc/20/27/38/908202738.db2.gz NWFLFTJIJMOPLC-UHFFFAOYSA-N -1 0 383.385 3.864 20 5 GHBDRM COc1c(F)cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1Br ZINC001176680124 908207637 /nfs/dbraw/zinc/20/76/37/908207637.db2.gz QJWFSELBDIHRPO-UHFFFAOYSA-N -1 0 385.145 3.947 20 5 GHBDRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795300868 909771811 /nfs/dbraw/zinc/77/18/11/909771811.db2.gz BEKCADNSUHANAZ-UHFFFAOYSA-N -1 0 395.195 3.850 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c1 ZINC000795346842 910027493 /nfs/dbraw/zinc/02/74/93/910027493.db2.gz YNFRJQYZNMZDBE-UHFFFAOYSA-N -1 0 397.771 3.843 20 5 GHBDRM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000901789708 921567839 /nfs/dbraw/zinc/56/78/39/921567839.db2.gz NHIUSUYCXLMIDR-LBPRGKRZSA-N -1 0 387.141 3.741 20 5 GHBDRM CC(C)Cc1ccc(Br)cc1-c1noc(-c2nc[n-]c2[N+](=O)[O-])n1 ZINC001212892958 911364113 /nfs/dbraw/zinc/36/41/13/911364113.db2.gz FVPSKFNCANUQRI-UHFFFAOYSA-N -1 0 392.213 3.996 20 5 GHBDRM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000795624057 911457914 /nfs/dbraw/zinc/45/79/14/911457914.db2.gz LHESTAVHCVIKNF-UHFFFAOYSA-N -1 0 382.825 3.950 20 5 GHBDRM CCCNC(=O)c1ccc(NCc2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1Cl ZINC000284294540 911815656 /nfs/dbraw/zinc/81/56/56/911815656.db2.gz RGFAVSRYHOWYTC-UHFFFAOYSA-N -1 0 393.827 3.714 20 5 GHBDRM O=[N+]([O-])c1c(-c2nc(-c3cccc4ccncc43)no2)n[nH]c1C(F)(F)F ZINC001212972980 916164341 /nfs/dbraw/zinc/16/43/41/916164341.db2.gz OXSXUENSZLSYFK-UHFFFAOYSA-N -1 0 376.254 3.602 20 5 GHBDRM COC(=O)c1ccc(C(F)(F)F)nc1SCc1cc([O-])ccc1[N+](=O)[O-] ZINC001189127216 916415197 /nfs/dbraw/zinc/41/51/97/916415197.db2.gz HNHHAYISNYGQMT-UHFFFAOYSA-N -1 0 388.323 3.793 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(-c2nccs2)c1 ZINC000119796767 919655407 /nfs/dbraw/zinc/65/54/07/919655407.db2.gz ZDABAMZOARPBPP-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nc3ccc(Cl)cc3s2)cs1 ZINC000119965236 919672406 /nfs/dbraw/zinc/67/24/06/919672406.db2.gz BKUFJVGYPKKOCQ-UHFFFAOYSA-N -1 0 375.840 3.720 20 5 GHBDRM O=Cc1ccc(-c2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c([O-])c2)o1 ZINC001137280559 924210383 /nfs/dbraw/zinc/21/03/83/924210383.db2.gz TYQOCGGKSWDGFK-UHFFFAOYSA-N -1 0 392.367 3.571 20 5 GHBDRM CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)sc2C1 ZINC000409477048 924661483 /nfs/dbraw/zinc/66/14/83/924661483.db2.gz VRXRUAWVYBHJDB-LLVKDONJSA-N -1 0 381.479 3.675 20 5 GHBDRM CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])sc2C1 ZINC000409539685 924744315 /nfs/dbraw/zinc/74/43/15/924744315.db2.gz YFANHXDAXZWLEW-LLVKDONJSA-N -1 0 381.479 3.675 20 5 GHBDRM Cc1sc(C(=O)N=c2[n-]nc(SCc3ccccc3)s2)cc1[N+](=O)[O-] ZINC000409607630 924813608 /nfs/dbraw/zinc/81/36/08/924813608.db2.gz PZMVOJVGJQEIAZ-UHFFFAOYSA-N -1 0 392.487 3.783 20 5 GHBDRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])c(C)n3)c2)n1 ZINC000410335861 925540991 /nfs/dbraw/zinc/54/09/91/925540991.db2.gz AQMSPBUNLIPAON-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2ccc3ccc(Cl)cc3n2)ccc1[N+](=O)[O-] ZINC000410332344 925544337 /nfs/dbraw/zinc/54/43/37/925544337.db2.gz JDJKCVUGVHCMIU-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000410341553 925549738 /nfs/dbraw/zinc/54/97/38/925549738.db2.gz ABTCKMXFJMHTMB-UHFFFAOYSA-N -1 0 376.434 3.726 20 5 GHBDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000726314913 926621835 /nfs/dbraw/zinc/62/18/35/926621835.db2.gz WWAWBTFEVHDWMO-LLVKDONJSA-N -1 0 388.873 3.660 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000751261689 928098860 /nfs/dbraw/zinc/09/88/60/928098860.db2.gz WSWHEHXXYZMNGF-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)cc1[N+](=O)[O-] ZINC000466957067 928541561 /nfs/dbraw/zinc/54/15/61/928541561.db2.gz XJHQSTTUYUBGSZ-UHFFFAOYSA-N -1 0 398.853 3.605 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nn(C2CCCCC2)cc1C ZINC000544092861 928794919 /nfs/dbraw/zinc/79/49/19/928794919.db2.gz BOGAEWYBMDMLJI-UHFFFAOYSA-N -1 0 392.481 3.968 20 5 GHBDRM CC(C)c1ccc(CN=c2[n-]nc(-c3ccc4c(c3)OCO4)o2)cc1[N+](=O)[O-] ZINC000544660480 929398117 /nfs/dbraw/zinc/39/81/17/929398117.db2.gz SKBRUCZEKQIIDP-UHFFFAOYSA-N -1 0 382.376 3.531 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1C=C(Cl)c1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000758015593 929888705 /nfs/dbraw/zinc/88/87/05/929888705.db2.gz HSCNHTLDJAYRCJ-VGOFMYFVSA-N -1 0 385.763 3.575 20 5 GHBDRM COc1ccc2[nH]cc(C3CCN(C(=O)c4cc([O-])ccc4[N+](=O)[O-])CC3)c2c1 ZINC000469558947 929989358 /nfs/dbraw/zinc/98/93/58/929989358.db2.gz RFIOYIMVINHAEN-UHFFFAOYSA-N -1 0 395.415 3.810 20 5 GHBDRM O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1cc(Cl)c([O-])cc1Cl ZINC000759033885 930251200 /nfs/dbraw/zinc/25/12/00/930251200.db2.gz ASJYFOGJZICEPT-MLPAPPSSSA-N -1 0 379.155 3.952 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000470572989 930722485 /nfs/dbraw/zinc/72/24/85/930722485.db2.gz DBOBGYNNVJMGCC-UHFFFAOYSA-N -1 0 376.359 3.674 20 5 GHBDRM COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1C ZINC000558038887 931811839 /nfs/dbraw/zinc/81/18/39/931811839.db2.gz OXNIAZZHRMSBAX-UHFFFAOYSA-N -1 0 384.841 3.983 20 5 GHBDRM CCn1ncc2ccc([N-]S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)cc21 ZINC000798246719 932575421 /nfs/dbraw/zinc/57/54/21/932575421.db2.gz GGJBWMZIMVKQLV-UHFFFAOYSA-N -1 0 398.803 3.558 20 5 GHBDRM COc1c(C)ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1C 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XTJXPIZQONQEAI-AWEZNQCLSA-N -1 0 398.202 3.527 20 5 GHBDRM O=C([O-])c1ccc(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 ZINC001595227575 949321211 /nfs/dbraw/zinc/32/12/11/949321211.db2.gz AYPXNIOQPMHERT-UHFFFAOYSA-N -1 0 391.221 3.614 20 5 GHBDRM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001595022920 951320970 /nfs/dbraw/zinc/32/09/70/951320970.db2.gz KLYGUMPCGDJUOF-INIZCTEOSA-N -1 0 382.416 3.598 20 5 GHBDRM C[C@@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C(=O)[O-] ZINC001589028947 955514048 /nfs/dbraw/zinc/51/40/48/955514048.db2.gz QNZFFTLSQXOFOI-LBPRGKRZSA-N -1 0 380.466 3.670 20 5 GHBDRM Cc1cc(OCC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)ccc1[N+](=O)[O-] ZINC001574343449 960954744 /nfs/dbraw/zinc/95/47/44/960954744.db2.gz WTDMHBUDIJAZCJ-UHFFFAOYSA-N -1 0 390.417 3.559 20 5 GHBDRM COc1c(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)cccc1[N+](=O)[O-] ZINC001604669585 973861932 /nfs/dbraw/zinc/86/19/32/973861932.db2.gz URSORABVEGBYAN-SECBINFHSA-N -1 0 390.417 3.740 20 5 GHBDRM O=C([O-])c1c(NC(=O)CCOc2ccccc2[N+](=O)[O-])sc2c1CCCC2 ZINC001605682194 974098511 /nfs/dbraw/zinc/09/85/11/974098511.db2.gz LXYZEKVWFGFEEO-UHFFFAOYSA-N -1 0 390.417 3.641 20 5 GHBDRM CC(C)Oc1cc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)ccc1[N+](=O)[O-] ZINC001591752067 975811615 /nfs/dbraw/zinc/81/16/15/975811615.db2.gz PCSZCRPMMTVYRD-UHFFFAOYSA-N -1 0 384.388 3.673 20 5 GHBDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001591771718 975897814 /nfs/dbraw/zinc/89/78/14/975897814.db2.gz BIBUMAPKYJMRRE-UHFFFAOYSA-N -1 0 378.768 3.986 20 5 GHBDRM CC(C)n1ncc2c1C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)CC2 ZINC001592163744 977059309 /nfs/dbraw/zinc/05/93/09/977059309.db2.gz UOFJIJZGZQGOOU-LLVKDONJSA-N -1 0 378.816 3.693 20 5 GHBDRM C[C@H](Cc1ccc(Nc2ncc([N+](=O)[O-])cc2Br)cc1)C(=O)[O-] ZINC001592881886 979750284 /nfs/dbraw/zinc/75/02/84/979750284.db2.gz BGKDLHBOJKZOTP-SECBINFHSA-N -1 0 380.198 3.759 20 5 GHBDRM CCCOCc1ccccc1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001625970218 1014601736 /nfs/dbraw/zinc/60/17/36/1014601736.db2.gz VJWVZMAAMCTLCM-UHFFFAOYSA-N -1 0 378.812 3.810 20 5 GHBDRM CC[C@@](NC(=O)Cc1cccc([N+](=O)[O-])c1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595242519 980166366 /nfs/dbraw/zinc/16/63/66/980166366.db2.gz AQQPUCLONWUQNS-IBGZPJMESA-N -1 0 390.823 3.605 20 5 GHBDRM CC[C@](NCc1c(Br)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001595298647 980419945 /nfs/dbraw/zinc/41/99/45/980419945.db2.gz RTZFWXZLPAMUBN-QGZVFWFLSA-N -1 0 393.237 3.837 20 5 GHBDRM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595373245 980870991 /nfs/dbraw/zinc/87/09/91/980870991.db2.gz GBODCZAMXQSZRE-HZPDHXFCSA-N -1 0 393.440 3.659 20 5 GHBDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001594782443 981790349 /nfs/dbraw/zinc/79/03/49/981790349.db2.gz POIBVACXAJFFJM-SFHVURJKSA-N -1 0 398.843 3.509 20 5 GHBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cccc(C(=O)[O-])n1 ZINC001595987937 983241521 /nfs/dbraw/zinc/24/15/21/983241521.db2.gz TVXZOJGHUWOUQX-UHFFFAOYSA-N -1 0 376.390 3.547 20 5 GHBDRM CCCn1c(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc2ccccc21 ZINC001596107614 983432110 /nfs/dbraw/zinc/43/21/10/983432110.db2.gz GSQSXSZDYBGTDX-NRFANRHFSA-N -1 0 395.415 3.689 20 5 GHBDRM CCN(C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)[C@H](C)c1cccc(O)c1 ZINC001596151054 983511241 /nfs/dbraw/zinc/51/12/41/983511241.db2.gz RQICGEJSJBYSRE-GFCCVEGCSA-N -1 0 387.392 3.922 20 5 GHBDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001599887068 984648741 /nfs/dbraw/zinc/64/87/41/984648741.db2.gz LOIVEPHIIASKEP-SNVBAGLBSA-N -1 0 380.759 3.503 20 5 GHBDRM Cc1c(Br)cc(C(=O)N(CC(=O)[O-])C2CCCCC2)cc1[N+](=O)[O-] ZINC001599970942 986004908 /nfs/dbraw/zinc/00/49/08/986004908.db2.gz QNBFCDCNWHSLHY-UHFFFAOYSA-N -1 0 399.241 3.525 20 5 GHBDRM C[C@H](C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC001589378372 986442952 /nfs/dbraw/zinc/44/29/52/986442952.db2.gz IMPKAEDWLNNALC-RCDICMHDSA-N -1 0 392.411 3.968 20 5 GHBDRM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2sc(CC)cc2C(=O)[O-])cc1OC ZINC001597045359 986508496 /nfs/dbraw/zinc/50/84/96/986508496.db2.gz YRCVJNNVBWLERG-UHFFFAOYSA-N -1 0 394.405 3.577 20 5 GHBDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC001589458222 986900608 /nfs/dbraw/zinc/90/06/08/986900608.db2.gz ICHNVMFPQWGSHU-KPZWWZAWSA-N -1 0 390.823 3.759 20 5 GHBDRM CCOc1cccc([C@H]2C[C@@H]2NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC001597149298 986917579 /nfs/dbraw/zinc/91/75/79/986917579.db2.gz IVQYVJPAVGHJAZ-WBVHZDCISA-N -1 0 399.403 3.678 20 5 GHBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001597163240 986973481 /nfs/dbraw/zinc/97/34/81/986973481.db2.gz DAWNUPGOLLZLRA-UHFFFAOYSA-N -1 0 376.390 3.666 20 5 GHBDRM CC[C@H](C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)C1CCC(C)CC1 ZINC001594728940 987237700 /nfs/dbraw/zinc/23/77/00/987237700.db2.gz KMEAAUBVQYJMHB-FWAGWKJLSA-N -1 0 376.453 3.863 20 5 GHBDRM CCc1cc(C(=O)[O-])c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC001597443636 987811116 /nfs/dbraw/zinc/81/11/16/987811116.db2.gz PFXYHNWWLLFNBD-UHFFFAOYSA-N -1 0 386.332 3.771 20 5 GHBDRM CCc1cc(C(=O)[O-])ccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001597449361 987832313 /nfs/dbraw/zinc/83/23/13/987832313.db2.gz BMNAGZCSJAVXQA-UHFFFAOYSA-N -1 0 397.431 3.711 20 5 GHBDRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001597593024 988425111 /nfs/dbraw/zinc/42/51/11/988425111.db2.gz KZWZKWWDATXGKT-UHFFFAOYSA-N -1 0 380.303 3.709 20 5 GHBDRM CCc1cccc(C(=O)[O-])c1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC001597594794 988433894 /nfs/dbraw/zinc/43/38/94/988433894.db2.gz UUIBETSETGTQEJ-UHFFFAOYSA-N -1 0 399.222 3.932 20 5 GHBDRM CCc1cnc(CNc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])o1 ZINC001597631290 988597101 /nfs/dbraw/zinc/59/71/01/988597101.db2.gz RTCVJHHUYLBLMN-UHFFFAOYSA-N -1 0 395.371 3.687 20 5 GHBDRM CCc1nc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])sc1C(=O)[O-] ZINC001597682358 988822151 /nfs/dbraw/zinc/82/21/51/988822151.db2.gz WRGHPWMSTROTJT-UHFFFAOYSA-N -1 0 389.311 3.583 20 5 GHBDRM CN(C(=O)c1ccccc1[N+](=O)[O-])[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598093640 990442190 /nfs/dbraw/zinc/44/21/90/990442190.db2.gz PGFXPIIDTJCJJB-AWEZNQCLSA-N -1 0 383.187 3.800 20 5 GHBDRM CC(C)(NC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC001590854891 990736843 /nfs/dbraw/zinc/73/68/43/990736843.db2.gz OHXDIFQYFRINNN-UHFFFAOYSA-N -1 0 394.387 3.898 20 5 GHBDRM CC(C)(NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC001590858842 990749770 /nfs/dbraw/zinc/74/97/70/990749770.db2.gz RDXRYEZVGQCZLD-UHFFFAOYSA-N -1 0 396.321 3.977 20 5 GHBDRM COc1ccccc1C[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001599707572 991316114 /nfs/dbraw/zinc/31/61/14/991316114.db2.gz OSBPKKWQNGSZPQ-GFCCVEGCSA-N -1 0 398.337 3.978 20 5 GHBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001598501533 992441779 /nfs/dbraw/zinc/44/17/79/992441779.db2.gz 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Cc1ccc(C2(C(=O)OCc3cc([O-])ccc3[N+](=O)[O-])CCOCC2)cc1C ZINC000848819375 1057338565 /nfs/dbraw/zinc/33/85/65/1057338565.db2.gz BVOJFAOQKDQFNP-UHFFFAOYSA-N -1 0 385.416 3.709 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cc(-n2cccc2)ccc1F ZINC001325836931 1057371345 /nfs/dbraw/zinc/37/13/45/1057371345.db2.gz RXYPKVVGHIZJIO-UHFFFAOYSA-N -1 0 395.799 3.979 20 5 GHBDRM CCOCCOc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001442574876 1058978784 /nfs/dbraw/zinc/97/87/84/1058978784.db2.gz WDOMRBMEEXALQY-UHFFFAOYSA-N -1 0 380.784 3.621 20 5 GHBDRM O=[N+]([O-])c1sccc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(Cl)c1 ZINC001339437832 1059211953 /nfs/dbraw/zinc/21/19/53/1059211953.db2.gz KPJTVEPCVOVGDZ-UHFFFAOYSA-N -1 0 384.769 3.712 20 5 GHBDRM O=C(Nc1cccc2cc(Br)cnc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC001449311558 1060377152 /nfs/dbraw/zinc/37/71/52/1060377152.db2.gz ORKCIDGHIOHAGW-UHFFFAOYSA-N -1 0 388.177 3.863 20 5 GHBDRM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1nnn(-c2ccccc2)c1C(F)F ZINC001350389565 1064073426 /nfs/dbraw/zinc/07/34/26/1064073426.db2.gz SDRHXVWEGIUDKC-UHFFFAOYSA-N -1 0 377.282 3.505 20 5 GHBDRM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001460062125 1064389000 /nfs/dbraw/zinc/38/90/00/1064389000.db2.gz RNQTZYUPDGHRFB-UHFFFAOYSA-N -1 0 399.334 3.818 20 5 GHBDRM Cc1ccccc1C(F)(F)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001464147978 1064860339 /nfs/dbraw/zinc/86/03/39/1064860339.db2.gz CDXCEDIEBLGPQM-UHFFFAOYSA-N -1 0 390.795 3.627 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]CCC2(c3ccccc3)CC2)c1 ZINC001464570575 1065088138 /nfs/dbraw/zinc/08/81/38/1065088138.db2.gz FNJILMPXRNAUNL-UHFFFAOYSA-N -1 0 398.843 3.788 20 5 GHBDRM COc1ccc([C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C2CCC2)cc1 ZINC001464724049 1065177155 /nfs/dbraw/zinc/17/71/55/1065177155.db2.gz QPQXQKQATZWXNO-QGZVFWFLSA-N -1 0 394.424 3.562 20 5 GHBDRM C[C@@H]1CCC[C@@H](C)N(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])C1 ZINC001465222342 1065473746 /nfs/dbraw/zinc/47/37/46/1065473746.db2.gz KHJLWEHBQUAWKS-VXGBXAGGSA-N -1 0 392.843 3.790 20 5 GHBDRM O=C(Nc1ccn(-c2ccccc2C(F)(F)F)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001469202150 1068025671 /nfs/dbraw/zinc/02/56/71/1068025671.db2.gz DQNHPABDGUXLAV-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM COc1cccc(Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])nc2)c1 ZINC001470158517 1068603891 /nfs/dbraw/zinc/60/38/91/1068603891.db2.gz OEIXRZYQMWOWIX-UHFFFAOYSA-N -1 0 380.360 3.700 20 5 GHBDRM Cc1c(CNc2cc(F)cc(C[N-]C(=O)C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC001474228946 1074301284 /nfs/dbraw/zinc/30/12/84/1074301284.db2.gz RSWHCPIDGOSMGP-UHFFFAOYSA-N -1 0 385.317 3.833 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@]12C[C@@H]1CCCC2 ZINC001475679688 1074998820 /nfs/dbraw/zinc/99/88/20/1074998820.db2.gz SSEMKDQFSZPMOB-LKFCYVNXSA-N -1 0 379.265 3.760 20 5 GHBDRM COc1ccc(Cl)c2c1N(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)CCC2 ZINC000738015801 599798794 /nfs/dbraw/zinc/79/87/94/599798794.db2.gz IFWBBBBFFFQPPW-UHFFFAOYSA-N -1 0 390.779 3.548 20 5 GHBDRM O=C([O-])CSCc1cccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC000485806702 599920403 /nfs/dbraw/zinc/92/04/03/599920403.db2.gz QSUNQXZWKFYWAM-UHFFFAOYSA-N -1 0 399.428 3.506 20 5 GHBDRM O=C([O-])CSCc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000739870302 599921950 /nfs/dbraw/zinc/92/19/50/599921950.db2.gz BLIJIUKJSNEMLX-UHFFFAOYSA-N -1 0 386.385 3.911 20 5 GHBDRM O=C([O-])c1cc(C(=O)Nc2cc(F)ccc2N2CCCCC2)cc([N+](=O)[O-])c1 ZINC000738672106 599982104 /nfs/dbraw/zinc/98/21/04/599982104.db2.gz CVLFBCPLQOYXKE-UHFFFAOYSA-N -1 0 387.367 3.675 20 5 GHBDRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000736186575 600124692 /nfs/dbraw/zinc/12/46/92/600124692.db2.gz MEYOEOQTYDAJFD-LLVKDONJSA-N -1 0 389.385 3.582 20 5 GHBDRM O=C([O-])c1cc(C(=O)NCCCO[C@H]2CCCc3ccccc32)cc([N+](=O)[O-])c1 ZINC000485743445 600250138 /nfs/dbraw/zinc/25/01/38/600250138.db2.gz MCGDYJNBXHVZFY-IBGZPJMESA-N -1 0 398.415 3.507 20 5 GHBDRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1ccc(Nc3ccccc3)c([N+](=O)[O-])c1)CC2 ZINC000262442373 600271988 /nfs/dbraw/zinc/27/19/88/600271988.db2.gz OAJWGVBNCRBIDZ-INIZCTEOSA-N -1 0 395.415 3.665 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736714680 600285377 /nfs/dbraw/zinc/28/53/77/600285377.db2.gz YYPLOHSDXJZAJP-GFCCVEGCSA-N -1 0 389.433 3.824 20 5 GHBDRM CCNc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000737128830 600320937 /nfs/dbraw/zinc/32/09/37/600320937.db2.gz BEHTVZVEEATAMF-HNNXBMFYSA-N -1 0 378.768 3.663 20 5 GHBDRM O=C([O-])CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000190763955 600383596 /nfs/dbraw/zinc/38/35/96/600383596.db2.gz ULYSEDWRBZWGOX-MRXNPFEDSA-N -1 0 376.796 3.513 20 5 GHBDRM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262345214 600428024 /nfs/dbraw/zinc/42/80/24/600428024.db2.gz AFOIKWBGWJRBCK-UHFFFAOYSA-N -1 0 399.403 3.838 20 5 GHBDRM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736890496 600541109 /nfs/dbraw/zinc/54/11/09/600541109.db2.gz CSSWRSSCZBAJCY-NSHDSACASA-N -1 0 397.391 3.569 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc([N+](=O)[O-])c1 ZINC000740088428 600542934 /nfs/dbraw/zinc/54/29/34/600542934.db2.gz HQMAGLPHPNRZHP-UHFFFAOYSA-N -1 0 379.372 3.905 20 5 GHBDRM Cc1c(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000486369863 600600294 /nfs/dbraw/zinc/60/02/94/600600294.db2.gz HLDMCBIITRTFMG-QGZVFWFLSA-N -1 0 392.411 3.730 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000486394898 600601495 /nfs/dbraw/zinc/60/14/95/600601495.db2.gz NJADQZIKRXBXNT-KRWDZBQOSA-N -1 0 392.411 3.730 20 5 GHBDRM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000832927928 600889634 /nfs/dbraw/zinc/88/96/34/600889634.db2.gz MZRHMMWOACANRL-QZTJIDSGSA-N -1 0 384.388 3.708 20 5 GHBDRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000833178805 601079908 /nfs/dbraw/zinc/07/99/08/601079908.db2.gz ZBVBWKPOKRPXQF-PBHICJAKSA-N -1 0 392.477 3.569 20 5 GHBDRM Cc1cc(C(=O)[O-])c2sc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])nc2n1 ZINC000832866881 601403757 /nfs/dbraw/zinc/40/37/57/601403757.db2.gz GRSYJOVPRLZUHR-UHFFFAOYSA-N -1 0 392.780 3.512 20 5 GHBDRM Cc1cc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000517943216 601544423 /nfs/dbraw/zinc/54/44/23/601544423.db2.gz NUBSZRRQDCKWCD-MRXNPFEDSA-N -1 0 384.388 3.714 20 5 GHBDRM COc1ccc([C@@H]2CCCN2c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)c(OC)c1 ZINC000832273209 601544814 /nfs/dbraw/zinc/54/48/14/601544814.db2.gz PSSHLYCAMAREAW-KRWDZBQOSA-N -1 0 386.404 3.960 20 5 GHBDRM Cc1cccc(C[C@@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C(=O)[O-])c1 ZINC000832970836 601588896 /nfs/dbraw/zinc/58/88/96/601588896.db2.gz ZAGJNIXPUFKTHD-INIZCTEOSA-N -1 0 385.420 3.585 20 5 GHBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828394594 601706554 /nfs/dbraw/zinc/70/65/54/601706554.db2.gz QTSSPTQZTVSHMN-WBMJQRKESA-N -1 0 386.429 3.539 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2CCC[C@]3(CCCc4ccccc43)C2)cc([N+](=O)[O-])c1 ZINC000833296262 601813540 /nfs/dbraw/zinc/81/35/40/601813540.db2.gz PNICRYGBAVKEJG-JOCHJYFZSA-N -1 0 394.427 3.803 20 5 GHBDRM O=C([O-])Nc1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)c1 ZINC000833280854 601987609 /nfs/dbraw/zinc/98/76/09/601987609.db2.gz CGBOWZFLUUIKPK-UHFFFAOYSA-N -1 0 397.309 3.676 20 5 GHBDRM O=C([O-])c1ccc(COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)s1 ZINC000833353012 602007570 /nfs/dbraw/zinc/00/75/70/602007570.db2.gz LJXLOECCDZMAKQ-UHFFFAOYSA-N -1 0 390.398 3.835 20 5 GHBDRM Cc1sc(NC(=O)COc2c(Cl)cccc2[N+](=O)[O-])c(C(=O)[O-])c1C ZINC000833035812 602126130 /nfs/dbraw/zinc/12/61/30/602126130.db2.gz CVOJCSPLDVVBFH-UHFFFAOYSA-N -1 0 384.797 3.642 20 5 GHBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1NC(=O)[O-] ZINC000739045299 602172190 /nfs/dbraw/zinc/17/21/90/602172190.db2.gz HFFHETRCAQAZTD-VIFPVBQESA-N -1 0 379.756 3.744 20 5 GHBDRM COc1ccccc1[C@@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)c1nccn1C ZINC000832597096 602312957 /nfs/dbraw/zinc/31/29/57/602312957.db2.gz TVEZCFUVNHEOHJ-QGZVFWFLSA-N -1 0 396.403 3.545 20 5 GHBDRM CCNc1ccc(C(=O)Nc2ccccc2CN(CC)C(=O)[O-])cc1[N+](=O)[O-] ZINC000739466191 602460059 /nfs/dbraw/zinc/46/00/59/602460059.db2.gz MRPHLTTXUCOCLG-UHFFFAOYSA-N -1 0 386.408 3.779 20 5 GHBDRM O=C([O-])NCc1ccc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cc1 ZINC000740670211 603177830 /nfs/dbraw/zinc/17/78/30/603177830.db2.gz BMVGICJXNUHAEL-UHFFFAOYSA-N -1 0 383.404 3.952 20 5 GHBDRM COc1ccccc1[C@@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000832601630 604267373 /nfs/dbraw/zinc/26/73/73/604267373.db2.gz MYTKCBFNJPQCBH-LLVKDONJSA-N -1 0 376.796 3.949 20 5 GHBDRM C[C@@H](NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000827658763 604468930 /nfs/dbraw/zinc/46/89/30/604468930.db2.gz JUSUMMORJMFURS-CXAGYDPISA-N -1 0 385.420 3.807 20 5 GHBDRM Cc1cc([C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)oc1C(=O)[O-] ZINC000832873809 604554538 /nfs/dbraw/zinc/55/45/38/604554538.db2.gz FWSVABGTEKOPEU-GFCCVEGCSA-N -1 0 388.376 3.713 20 5 GHBDRM O=C([O-])C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000833211967 604606257 /nfs/dbraw/zinc/60/62/57/604606257.db2.gz QECOKVTVNBFDOV-CYBMUJFWSA-N -1 0 386.429 3.825 20 5 GHBDRM C[C@H](NC(=O)c1ccc(N[C@@H]2CC(C)(C)c3ccccc32)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827704290 604637725 /nfs/dbraw/zinc/63/77/25/604637725.db2.gz WZUNBTHCBQRKOY-YVEFUNNKSA-N -1 0 397.431 3.632 20 5 GHBDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000514950811 604649529 /nfs/dbraw/zinc/64/95/29/604649529.db2.gz JDWICBLKYARCEC-KRWDZBQOSA-N -1 0 396.403 3.683 20 5 GHBDRM CCn1c(S[C@H](C(=O)[O-])c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000830416379 604752773 /nfs/dbraw/zinc/75/27/73/604752773.db2.gz SEVAXQWLUIBNGV-HNNXBMFYSA-N -1 0 384.417 3.791 20 5 GHBDRM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000833505771 604768591 /nfs/dbraw/zinc/76/85/91/604768591.db2.gz NVOAYZSFMILSLM-MRXNPFEDSA-N -1 0 378.450 3.633 20 5 GHBDRM Cc1cc(N2CCc3ccc(C(=O)[O-])cc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833746301 604835626 /nfs/dbraw/zinc/83/56/26/604835626.db2.gz YDFKTPOJSZHKKJ-UHFFFAOYSA-N -1 0 390.399 3.621 20 5 GHBDRM C[C@@H]1CCC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C1 ZINC000833610419 605002313 /nfs/dbraw/zinc/00/23/13/605002313.db2.gz VMPBOPZHJMSLNF-OLZOCXBDSA-N -1 0 380.466 3.812 20 5 GHBDRM C[C@@H]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C1 ZINC000833607485 605003254 /nfs/dbraw/zinc/00/32/54/605003254.db2.gz GIUGMHFPVKDPNK-OLZOCXBDSA-N -1 0 380.466 3.718 20 5 GHBDRM Cc1ccc(N2C(=O)N[C@H](c3ccc([N+](=O)[O-])cc3F)C(C(=O)[O-])=C2C)cc1 ZINC000833578728 605290375 /nfs/dbraw/zinc/29/03/75/605290375.db2.gz WDALKNNKJVZQCH-QGZVFWFLSA-N -1 0 385.351 3.672 20 5 GHBDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000833411299 605297729 /nfs/dbraw/zinc/29/77/29/605297729.db2.gz BDDUQPCSXSGVGM-HNNXBMFYSA-N -1 0 392.358 3.655 20 5 GHBDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000431647446 605333907 /nfs/dbraw/zinc/33/39/07/605333907.db2.gz JAWFZDGFXYUPFG-UHFFFAOYSA-N -1 0 394.836 3.697 20 5 GHBDRM C[C@H](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824563614 605533126 /nfs/dbraw/zinc/53/31/26/605533126.db2.gz CCYAGKPZRNJACB-ZBFHGGJFSA-N -1 0 389.452 3.502 20 5 GHBDRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000833906418 605678618 /nfs/dbraw/zinc/67/86/18/605678618.db2.gz RGHAJCFOUVAKRW-UHFFFAOYSA-N -1 0 381.291 3.847 20 5 GHBDRM 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O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cccc(Cl)c3F)n[nH]2)c1 ZINC000434962648 849932698 /nfs/dbraw/zinc/93/26/98/849932698.db2.gz HKKAQAYGJYZBGF-UHFFFAOYSA-N -1 0 396.787 3.578 20 5 GHBDRM C[C@@H](N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(OC(F)F)c1 ZINC000486914608 850231062 /nfs/dbraw/zinc/23/10/62/850231062.db2.gz QJKHULZYSXGHHY-SNVBAGLBSA-N -1 0 376.319 3.841 20 5 GHBDRM Cc1cc(C(=O)N[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000439938928 850592928 /nfs/dbraw/zinc/59/29/28/850592928.db2.gz SWKRAJNFYIBWMM-HNNXBMFYSA-N -1 0 397.214 3.636 20 5 GHBDRM Cc1ccc(Sc2nc(=NC(=O)c3ccc([N+](=O)[O-])c(C)c3)s[n-]2)cc1 ZINC000440311131 851029363 /nfs/dbraw/zinc/02/93/63/851029363.db2.gz FBDKBCVWORSUFB-UHFFFAOYSA-N -1 0 386.458 3.889 20 5 GHBDRM O=C1CCc2cc([N+](=O)[O-])c(Sc3n[n-]c(=Nc4ccccc4)s3)cc2N1 ZINC000506826862 851097087 /nfs/dbraw/zinc/09/70/87/851097087.db2.gz YWZWTFCZBOMTOL-UHFFFAOYSA-N -1 0 399.457 3.648 20 5 GHBDRM CCCCOc1ccc([C@@H](C)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1OC ZINC000505786659 851416651 /nfs/dbraw/zinc/41/66/51/851416651.db2.gz DMFWVOGCLUSOHE-CYBMUJFWSA-N -1 0 388.420 3.979 20 5 GHBDRM O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3csc4ccccc43)ccc2c1 ZINC000506848470 851630346 /nfs/dbraw/zinc/63/03/46/851630346.db2.gz JBTCWTGENQJHDT-UHFFFAOYSA-N -1 0 385.426 3.580 20 5 GHBDRM CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436634090 852128337 /nfs/dbraw/zinc/12/83/37/852128337.db2.gz JIXOGHCZIOQAND-UHFFFAOYSA-N -1 0 397.200 3.864 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000436636605 852130946 /nfs/dbraw/zinc/13/09/46/852130946.db2.gz VUAQTXLVRLBBJU-OAHLLOKOSA-N -1 0 378.837 3.884 20 5 GHBDRM O=C(NCc1ccc(Br)cc1Cl)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436637317 852131744 /nfs/dbraw/zinc/13/17/44/852131744.db2.gz WWPAXZXSMSHXFZ-UHFFFAOYSA-N -1 0 385.601 3.646 20 5 GHBDRM COc1ccccc1[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000426769327 852374153 /nfs/dbraw/zinc/37/41/53/852374153.db2.gz HYJYREFNPARQEU-KRWDZBQOSA-N -1 0 399.428 3.642 20 5 GHBDRM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436822540 852392326 /nfs/dbraw/zinc/39/23/26/852392326.db2.gz VKVMVZBFJJKCPV-JTQLQIEISA-N -1 0 380.784 3.620 20 5 GHBDRM O=C([O-])[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1F ZINC000426786545 852397761 /nfs/dbraw/zinc/39/77/61/852397761.db2.gz WIWYDGUSWUICNK-MRXNPFEDSA-N -1 0 387.392 3.773 20 5 GHBDRM CCOc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])ccc1OC(F)F ZINC000436858807 852444119 /nfs/dbraw/zinc/44/41/19/852444119.db2.gz HYXFAPSGDICUOX-UHFFFAOYSA-N -1 0 396.346 3.573 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000516345121 852447977 /nfs/dbraw/zinc/44/79/77/852447977.db2.gz XAFUOORTBNJIMC-ZDUSSCGKSA-N -1 0 394.758 3.830 20 5 GHBDRM Cc1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])nn1-c1cccc(F)c1 ZINC000436892545 852467923 /nfs/dbraw/zinc/46/79/23/852467923.db2.gz KNWHTEYVZYYSGR-UHFFFAOYSA-N -1 0 390.758 3.839 20 5 GHBDRM O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436909271 852474103 /nfs/dbraw/zinc/47/41/03/852474103.db2.gz LXOCNKHUBIMCMQ-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM O=C(Nc1cccc2c1CN(c1nccs1)C2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436901105 852486437 /nfs/dbraw/zinc/48/64/37/852486437.db2.gz PYNRRKUESNJBOL-UHFFFAOYSA-N -1 0 382.401 3.529 20 5 GHBDRM O=C(NCc1ccc(COc2ccccc2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436949104 852530563 /nfs/dbraw/zinc/53/05/63/852530563.db2.gz JSHDXJLHSDXVLX-UHFFFAOYSA-N -1 0 378.384 3.809 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000436956026 852546609 /nfs/dbraw/zinc/54/66/09/852546609.db2.gz KFADETWQDUHXQD-ZDUSSCGKSA-N -1 0 376.796 3.637 20 5 GHBDRM O=C(Nc1ccc(Oc2ccc(CO)cc2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436978956 852566352 /nfs/dbraw/zinc/56/63/52/852566352.db2.gz WWYLZCLBJBRJLX-UHFFFAOYSA-N -1 0 380.356 3.837 20 5 GHBDRM O=C(Nc1ccc2cccc(Br)c2n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507305808 852781366 /nfs/dbraw/zinc/78/13/66/852781366.db2.gz WAUMZNHVJWZKFU-UHFFFAOYSA-N -1 0 388.177 3.863 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1-c1ccc(Cl)cc1 ZINC000437316502 852992392 /nfs/dbraw/zinc/99/23/92/852992392.db2.gz DLBWSJGSPJMMHD-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)c1C ZINC000481866952 862429563 /nfs/dbraw/zinc/42/95/63/862429563.db2.gz OQYRDXJIXPHIRU-UHFFFAOYSA-N -1 0 397.884 3.727 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000586799275 853555225 /nfs/dbraw/zinc/55/52/25/853555225.db2.gz CDGFWDSNLHYTQT-GFCCVEGCSA-N -1 0 387.461 3.656 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2OCC(F)F)cc1 ZINC000588855928 854553643 /nfs/dbraw/zinc/55/36/43/854553643.db2.gz UALCGKSXOHHOQW-UHFFFAOYSA-N -1 0 392.767 3.693 20 5 GHBDRM C[C@@H](CCC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000178951587 855208439 /nfs/dbraw/zinc/20/84/39/855208439.db2.gz ZGYJAUXWCRNCGM-LBPRGKRZSA-N -1 0 396.852 3.637 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)nc1 ZINC000057119087 855223652 /nfs/dbraw/zinc/22/36/52/855223652.db2.gz XEDSFMDVKZMATH-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2)oc1C ZINC000057120437 855223673 /nfs/dbraw/zinc/22/36/73/855223673.db2.gz YKPADIMHZNJWRZ-UHFFFAOYSA-N -1 0 387.417 3.976 20 5 GHBDRM CCCc1c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cnn1Cc1ccccc1 ZINC000166135759 855440369 /nfs/dbraw/zinc/44/03/69/855440369.db2.gz IZIXQUWFMVPSKG-UHFFFAOYSA-N -1 0 380.404 3.750 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)Nc2c(O)cccc2Cl)cc1[N+](=O)[O-] ZINC000590597808 855504575 /nfs/dbraw/zinc/50/45/75/855504575.db2.gz YKAOWRSNBHRVJU-UHFFFAOYSA-N -1 0 377.205 3.716 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc(C)cc2C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057722090 856005336 /nfs/dbraw/zinc/00/53/36/856005336.db2.gz GCICXGPKXUKCEJ-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000591563397 856153003 /nfs/dbraw/zinc/15/30/03/856153003.db2.gz DHNCAQHNFLMAFT-CHWSQXEVSA-N -1 0 392.477 3.812 20 5 GHBDRM Cc1c(NC(=O)CC2(C(=O)[O-])CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000485366283 856411569 /nfs/dbraw/zinc/41/15/69/856411569.db2.gz FFOLPZKEVKUOMA-UHFFFAOYSA-N -1 0 385.214 3.639 20 5 GHBDRM CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000427685901 856578019 /nfs/dbraw/zinc/57/80/19/856578019.db2.gz CIARLUAUWXFZPG-UHFFFAOYSA-N -1 0 385.298 3.754 20 5 GHBDRM COc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1OCc1ccncc1 ZINC000427902678 856839032 /nfs/dbraw/zinc/83/90/32/856839032.db2.gz HXIXRLNLJRPIMD-UHFFFAOYSA-N -1 0 395.371 3.535 20 5 GHBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000508256087 857125585 /nfs/dbraw/zinc/12/55/85/857125585.db2.gz VJPMLEBIUCLVFS-UHFFFAOYSA-N -1 0 394.302 3.568 20 5 GHBDRM C[C@H](N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(NC(=O)C2CC2)cc1 ZINC000486128526 857457807 /nfs/dbraw/zinc/45/78/07/857457807.db2.gz MTPHMXTUNMOZFZ-LBPRGKRZSA-N -1 0 393.403 3.588 20 5 GHBDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000592469721 857545514 /nfs/dbraw/zinc/54/55/14/857545514.db2.gz YDBSYEMKFXFPRO-KGLIPLIRSA-N -1 0 386.429 3.729 20 5 GHBDRM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000184869677 857593428 /nfs/dbraw/zinc/59/34/28/857593428.db2.gz OTPAZAMDRZNJBS-UHFFFAOYSA-N -1 0 385.401 3.537 20 5 GHBDRM CC(C)CCn1ncc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C(C)C ZINC000442232071 857625393 /nfs/dbraw/zinc/62/53/93/857625393.db2.gz WLDUBWIXNVIDGQ-UHFFFAOYSA-N -1 0 380.470 3.762 20 5 GHBDRM Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442236747 857641098 /nfs/dbraw/zinc/64/10/98/857641098.db2.gz LGYXIWHZVSOTLB-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc2ccc(Cl)cc2s1 ZINC000066247121 858016471 /nfs/dbraw/zinc/01/64/71/858016471.db2.gz CDCJHCLYTWSATE-UHFFFAOYSA-N -1 0 399.837 3.667 20 5 GHBDRM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]c1nc(C2CCC2)cs1 ZINC000594725743 858265346 /nfs/dbraw/zinc/26/53/46/858265346.db2.gz JDVRLAMCZLXPFV-UHFFFAOYSA-N -1 0 390.446 3.668 20 5 GHBDRM CC1(C)CO[C@@H](c2cccc(F)c2)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000594734339 858267913 /nfs/dbraw/zinc/26/79/13/858267913.db2.gz XIBKDKIAZXWNJX-GOSISDBHSA-N -1 0 388.395 3.784 20 5 GHBDRM CC(C)C[C@H](CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)CC(=O)[O-] ZINC000595263833 858456735 /nfs/dbraw/zinc/45/67/35/858456735.db2.gz VEODOFZQEXXTDF-DOTOQJQBSA-N -1 0 391.468 3.621 20 5 GHBDRM COc1cc(-c2nc3ccccc3n2C2CCC2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000593001347 858525598 /nfs/dbraw/zinc/52/55/98/858525598.db2.gz ZRDBNEVERNRIAT-UHFFFAOYSA-N -1 0 397.387 3.809 20 5 GHBDRM O=C([O-])C1(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCC1 ZINC000595998654 858740248 /nfs/dbraw/zinc/74/02/48/858740248.db2.gz DFALRYHNIGNPEQ-UHFFFAOYSA-N -1 0 386.429 3.731 20 5 GHBDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000160552730 858995802 /nfs/dbraw/zinc/99/58/02/858995802.db2.gz YUTUIDHYWDWXAF-UHFFFAOYSA-N -1 0 393.428 3.591 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2C)c1 ZINC000509387945 859273031 /nfs/dbraw/zinc/27/30/31/859273031.db2.gz WPVZCPJOKSEWLJ-UHFFFAOYSA-N -1 0 389.355 3.735 20 5 GHBDRM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000060443471 859273473 /nfs/dbraw/zinc/27/34/73/859273473.db2.gz WESGBYJWAPUCAW-UHFFFAOYSA-N -1 0 391.449 3.751 20 5 GHBDRM O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000060473732 859323166 /nfs/dbraw/zinc/32/31/66/859323166.db2.gz ANKBHXKHRFBTBO-CQSZACIVSA-N -1 0 378.331 3.709 20 5 GHBDRM COc1ccc(CSCC(=O)Nc2cccc(Cl)c2[O-])cc1[N+](=O)[O-] ZINC000611157431 859624938 /nfs/dbraw/zinc/62/49/38/859624938.db2.gz ZTBHKNQPRNVSSL-UHFFFAOYSA-N -1 0 382.825 3.834 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(Br)c1C ZINC000318664224 859863303 /nfs/dbraw/zinc/86/33/03/859863303.db2.gz CJUOMYFKZJQMHD-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM O=C(Nc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1)c1cccs1 ZINC000765467084 859986235 /nfs/dbraw/zinc/98/62/35/859986235.db2.gz ZREJGYPFLLVFCJ-UHFFFAOYSA-N -1 0 384.369 3.833 20 5 GHBDRM C[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000520411674 881509800 /nfs/dbraw/zinc/50/98/00/881509800.db2.gz BIADNHZGLWWBLF-ZDUSSCGKSA-N -1 0 389.839 3.830 20 5 GHBDRM COc1ccc(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])c(OC2CCCC2)c1 ZINC000552258773 860412481 /nfs/dbraw/zinc/41/24/81/860412481.db2.gz XOLLNADHHVDVHO-UHFFFAOYSA-N -1 0 386.404 3.560 20 5 GHBDRM O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)ccc2c1 ZINC000156173401 860702334 /nfs/dbraw/zinc/70/23/34/860702334.db2.gz UIMXULRWUXDQAM-UHFFFAOYSA-N -1 0 397.334 3.963 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)Cc2ccccc2F)cc1C(F)(F)F ZINC000186631366 860800143 /nfs/dbraw/zinc/80/01/43/860800143.db2.gz DHEUNNDLSFYAGL-UHFFFAOYSA-N -1 0 378.303 3.695 20 5 GHBDRM CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)CC(=O)[O-] ZINC000593699298 860919296 /nfs/dbraw/zinc/91/92/96/860919296.db2.gz NRFVFQAXHGZBDP-ZDUSSCGKSA-N -1 0 382.482 3.962 20 5 GHBDRM COc1cc(CN(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])ccc1SC ZINC000593733909 861083752 /nfs/dbraw/zinc/08/37/52/861083752.db2.gz DJQRAHLYXCJOLD-UHFFFAOYSA-N -1 0 376.434 3.656 20 5 GHBDRM COc1cc(CN(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])ccc1OC(F)F ZINC000593734611 861089932 /nfs/dbraw/zinc/08/99/32/861089932.db2.gz OKIFGOWIDDQLHB-UHFFFAOYSA-N -1 0 396.346 3.535 20 5 GHBDRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000730418006 861101164 /nfs/dbraw/zinc/10/11/64/861101164.db2.gz WBELFCZISQLDLY-UHFFFAOYSA-N -1 0 394.840 3.809 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)c1C ZINC000159926626 863169028 /nfs/dbraw/zinc/16/90/28/863169028.db2.gz CTPCHQJRXPZERW-UHFFFAOYSA-N -1 0 396.475 3.592 20 5 GHBDRM O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000160096998 863311674 /nfs/dbraw/zinc/31/16/74/863311674.db2.gz RSPLHRAJJQLWGI-UHFFFAOYSA-N -1 0 388.807 3.689 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccccc1CC(F)(F)F ZINC000172901401 864098772 /nfs/dbraw/zinc/09/87/72/864098772.db2.gz ACZJYNPSCBGOLZ-UHFFFAOYSA-N -1 0 378.303 3.640 20 5 GHBDRM COCCCC[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000480619040 864976217 /nfs/dbraw/zinc/97/62/17/864976217.db2.gz XAYBQDWXTSIILX-INIZCTEOSA-N -1 0 396.440 3.570 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C(C)C ZINC000499274294 881884241 /nfs/dbraw/zinc/88/42/41/881884241.db2.gz QNYOBVMJMSOIIC-UHFFFAOYSA-N -1 0 394.497 3.934 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(OC2CCCC2)nc1 ZINC000608875687 865779182 /nfs/dbraw/zinc/77/91/82/865779182.db2.gz RZPQAUIIMYCDTO-UHFFFAOYSA-N -1 0 397.840 3.765 20 5 GHBDRM CSCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000609016076 865892444 /nfs/dbraw/zinc/89/24/44/865892444.db2.gz TZRJEAXRAXPVEM-UHFFFAOYSA-N -1 0 386.882 3.955 20 5 GHBDRM COc1cccc(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2)c1 ZINC000440142874 866043820 /nfs/dbraw/zinc/04/38/20/866043820.db2.gz CXGNBXKHXYRQJI-UHFFFAOYSA-N -1 0 378.384 3.906 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)c([N+](=O)[O-])c1 ZINC000534331889 866576720 /nfs/dbraw/zinc/57/67/20/866576720.db2.gz JMLLLXHUPRSWHH-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2cn(CC(C)C)nc2C(F)F)cc1[N+](=O)[O-] ZINC000466975981 866824493 /nfs/dbraw/zinc/82/44/93/866824493.db2.gz RHXROVQKOYPSTL-UHFFFAOYSA-N -1 0 394.425 3.556 20 5 GHBDRM COc1cc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)cc(Cl)c1OC ZINC000478985176 866992809 /nfs/dbraw/zinc/99/28/09/866992809.db2.gz DVNBAKNBGOXQOM-UHFFFAOYSA-N -1 0 377.740 3.688 20 5 GHBDRM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)c2C)o1 ZINC000444740216 867162397 /nfs/dbraw/zinc/16/23/97/867162397.db2.gz SUNYHIHJEVEFOH-UHFFFAOYSA-N -1 0 398.422 3.955 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])[nH]nc1-c1ccccc1 ZINC000479143591 867234359 /nfs/dbraw/zinc/23/43/59/867234359.db2.gz VACWYLNYUPEBFT-UHFFFAOYSA-N -1 0 386.433 3.711 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3cc(F)c(F)cc3s2)c1[N+](=O)[O-] ZINC000479617825 868226490 /nfs/dbraw/zinc/22/64/90/868226490.db2.gz QSHORRKAPKFIEG-UHFFFAOYSA-N -1 0 399.400 3.900 20 5 GHBDRM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462336646 869270478 /nfs/dbraw/zinc/27/04/78/869270478.db2.gz BCXKZDHSESUDOF-NXEZZACHSA-N -1 0 399.321 3.854 20 5 GHBDRM Cc1ccc(C(=O)N[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000539569502 869369830 /nfs/dbraw/zinc/36/98/30/869369830.db2.gz ZYRNTUJGZDXEAS-CQSZACIVSA-N -1 0 397.214 3.636 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000539612172 869443057 /nfs/dbraw/zinc/44/30/57/869443057.db2.gz FEAHLOCOEAOBRZ-BLLLJJGKSA-N -1 0 380.466 3.615 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc2n[nH]cc21 ZINC000766329164 869499849 /nfs/dbraw/zinc/49/98/49/869499849.db2.gz KIQYFJKKVLKRJI-UHFFFAOYSA-N -1 0 380.813 3.542 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000539678423 869602359 /nfs/dbraw/zinc/60/23/59/869602359.db2.gz VUYVTRLLTOOKNR-CYBMUJFWSA-N -1 0 380.466 3.617 20 5 GHBDRM Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000538872461 870799452 /nfs/dbraw/zinc/79/94/52/870799452.db2.gz BEXSEWQRYFYHHN-UHFFFAOYSA-N -1 0 390.417 3.621 20 5 GHBDRM O=C([O-])c1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc([N+](=O)[O-])c1 ZINC000237979494 882451475 /nfs/dbraw/zinc/45/14/75/882451475.db2.gz BVIABGIMHXBJQC-HNNXBMFYSA-N -1 0 397.412 3.880 20 5 GHBDRM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC001193997041 871453426 /nfs/dbraw/zinc/45/34/26/871453426.db2.gz GPDGHISGYFKLNZ-HZPDHXFCSA-N -1 0 389.477 3.631 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000540671984 871870742 /nfs/dbraw/zinc/87/07/42/871870742.db2.gz FBGQOFNPMPLRKV-INIZCTEOSA-N -1 0 388.395 3.977 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000539390773 871891372 /nfs/dbraw/zinc/89/13/72/871891372.db2.gz IDJCLHFZLNLHLV-UHFFFAOYSA-N -1 0 390.245 3.756 20 5 GHBDRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463514762 871959172 /nfs/dbraw/zinc/95/91/72/871959172.db2.gz DCMQNVZFFOWJMG-UHFFFAOYSA-N -1 0 387.417 3.651 20 5 GHBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc2c(C)ccnc21 ZINC000619620480 872830403 /nfs/dbraw/zinc/83/04/03/872830403.db2.gz GJZKLUPAYURBTQ-UHFFFAOYSA-N -1 0 387.417 3.651 20 5 GHBDRM Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1C ZINC000742231857 872845497 /nfs/dbraw/zinc/84/54/97/872845497.db2.gz BFJCVERQMQHESO-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM C[C@@H](Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000301267073 872922333 /nfs/dbraw/zinc/92/23/33/872922333.db2.gz WMIZVWFELGMDMH-SECBINFHSA-N -1 0 398.297 3.961 20 5 GHBDRM CCCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cnn1-c1cccc(F)c1 ZINC000541452376 873629065 /nfs/dbraw/zinc/62/90/65/873629065.db2.gz KLBWRRCAIMONFO-UHFFFAOYSA-N -1 0 384.367 3.830 20 5 GHBDRM COc1c(Cl)cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1Cl ZINC000768882779 873645883 /nfs/dbraw/zinc/64/58/83/873645883.db2.gz IVUHCDMZQTUNTJ-UHFFFAOYSA-N -1 0 383.234 3.773 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)nn1-c1cccc(Cl)c1 ZINC000768893081 873654423 /nfs/dbraw/zinc/65/44/23/873654423.db2.gz WLZLYEMGDAERAH-UHFFFAOYSA-N -1 0 398.853 3.605 20 5 GHBDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(Br)c([N+](=O)[O-])c1 ZINC000769635351 874179159 /nfs/dbraw/zinc/17/91/59/874179159.db2.gz CMBBNFOWPXYZJQ-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccnc(OCC(F)(F)F)c1 ZINC000541821279 874335785 /nfs/dbraw/zinc/33/57/85/874335785.db2.gz QXZQWOCKTDZEJN-UHFFFAOYSA-N -1 0 391.689 3.542 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000550941447 882862822 /nfs/dbraw/zinc/86/28/22/882862822.db2.gz NHXMHRSHLBIFOT-RYUDHWBXSA-N -1 0 382.294 3.941 20 5 GHBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(C)C)cc1[N+](=O)[O-] ZINC000491591844 875823010 /nfs/dbraw/zinc/82/30/10/875823010.db2.gz OXVWCKBGSIQRDE-UHFFFAOYSA-N -1 0 394.497 3.988 20 5 GHBDRM CCSCc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000451103708 877403109 /nfs/dbraw/zinc/40/31/09/877403109.db2.gz CNNTUWFAXBUDCT-UHFFFAOYSA-N -1 0 382.463 3.657 20 5 GHBDRM O=C([O-])/C=C\c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000776632884 878656524 /nfs/dbraw/zinc/65/65/24/878656524.db2.gz ZRDKWRNTFPGBCP-BAQGIRSFSA-N -1 0 391.177 3.707 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC000789488127 879010032 /nfs/dbraw/zinc/01/00/32/879010032.db2.gz FGWINZBQZIPXOD-ZDUSSCGKSA-N -1 0 398.440 3.665 20 5 GHBDRM Cc1sc(CCNC(=O)c2cccc([O-])c2[N+](=O)[O-])nc1-c1ccccc1 ZINC000538329437 879280821 /nfs/dbraw/zinc/28/08/21/879280821.db2.gz OSUUOHLNYXTPCP-UHFFFAOYSA-N -1 0 383.429 3.705 20 5 GHBDRM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1OCc1cccnc1 ZINC000031410527 879542943 /nfs/dbraw/zinc/54/29/43/879542943.db2.gz WDKRRCDVVWZAEL-UHFFFAOYSA-N -1 0 395.371 3.535 20 5 GHBDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c1C ZINC000790417119 879696880 /nfs/dbraw/zinc/69/68/80/879696880.db2.gz ICPXDOLBXSFIFV-JTQLQIEISA-N -1 0 386.861 3.833 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)nc2)c(Cl)cc1Cl ZINC000791433563 880401393 /nfs/dbraw/zinc/40/13/93/880401393.db2.gz XQGPPYIHBAMVRA-UHFFFAOYSA-N -1 0 382.612 3.751 20 5 GHBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)cc1[N+](=O)[O-] ZINC000476937881 883436587 /nfs/dbraw/zinc/43/65/87/883436587.db2.gz HDQCINCMQCKOOJ-UHFFFAOYSA-N -1 0 392.824 3.748 20 5 GHBDRM Cc1cc(Br)c(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)s1 ZINC000475791568 883872592 /nfs/dbraw/zinc/87/25/92/883872592.db2.gz QMGOERZAVRSFSD-UHFFFAOYSA-N -1 0 395.231 3.667 20 5 GHBDRM COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC000760362809 884003340 /nfs/dbraw/zinc/00/33/40/884003340.db2.gz LKNKZJNYTTXLOE-UHFFFAOYSA-N -1 0 398.412 3.639 20 5 GHBDRM Cc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1C(=O)[O-] ZINC000237727614 884825979 /nfs/dbraw/zinc/82/59/79/884825979.db2.gz XBXUCVHYQIOXRO-UHFFFAOYSA-N -1 0 383.385 3.977 20 5 GHBDRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000237750619 884838765 /nfs/dbraw/zinc/83/87/65/884838765.db2.gz PGRMQFNJMSCVHN-AWEZNQCLSA-N -1 0 380.759 3.642 20 5 GHBDRM C[C@H](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1)C(=O)[O-] ZINC000191425232 884955298 /nfs/dbraw/zinc/95/52/98/884955298.db2.gz UNOPVIKSGWXHHI-GFCCVEGCSA-N -1 0 379.372 3.659 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C(=O)C(C)(C)C)cc1 ZINC000619468134 885067691 /nfs/dbraw/zinc/06/76/91/885067691.db2.gz YVEWEWGZTYLSSR-UHFFFAOYSA-N -1 0 392.433 3.633 20 5 GHBDRM CC[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])Oc1ccccc1C(F)(F)F ZINC000556917747 886680219 /nfs/dbraw/zinc/68/02/19/886680219.db2.gz RAMKFYKWCJVIOJ-GFCCVEGCSA-N -1 0 398.337 3.907 20 5 GHBDRM CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000054701788 889515085 /nfs/dbraw/zinc/51/50/85/889515085.db2.gz CNSYHJZJKJPGMJ-MRXNPFEDSA-N -1 0 377.784 3.549 20 5 GHBDRM CC(C)c1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n(-c2ccccc2)n1 ZINC000811833775 890017407 /nfs/dbraw/zinc/01/74/07/890017407.db2.gz ROJOINIANWAIMU-UHFFFAOYSA-N -1 0 392.462 3.766 20 5 GHBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001212217284 890503916 /nfs/dbraw/zinc/50/39/16/890503916.db2.gz RRWRNMGZOQQKKJ-HIFRSBDPSA-N -1 0 395.868 3.648 20 5 GHBDRM CCCCC1CCC(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000917446257 892012299 /nfs/dbraw/zinc/01/22/99/892012299.db2.gz XUMJWCOUUZGPFB-UHFFFAOYSA-N -1 0 382.482 3.705 20 5 GHBDRM COc1cccc(C(=O)CCCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000497734675 892285339 /nfs/dbraw/zinc/28/53/39/892285339.db2.gz RYMXTLPJJLLKJH-UHFFFAOYSA-N -1 0 392.795 3.954 20 5 GHBDRM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000106893030 892409901 /nfs/dbraw/zinc/40/99/01/892409901.db2.gz LRGCDMPZIZWIJQ-SECBINFHSA-N -1 0 387.458 3.527 20 5 GHBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)c2cccnc12 ZINC000917734489 892480580 /nfs/dbraw/zinc/48/05/80/892480580.db2.gz MFRQEYXRGHRAKP-UHFFFAOYSA-N -1 0 381.772 3.736 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000814285456 892491518 /nfs/dbraw/zinc/49/15/18/892491518.db2.gz INSQYOXYKASDMO-CYBMUJFWSA-N -1 0 376.768 3.533 20 5 GHBDRM C[C@@H]1CCCCCN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000825838560 892891248 /nfs/dbraw/zinc/89/12/48/892891248.db2.gz CKOKQGCIBXKOCL-LLVKDONJSA-N -1 0 378.816 3.544 20 5 GHBDRM Cc1cc(N2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000563214251 893487955 /nfs/dbraw/zinc/48/79/55/893487955.db2.gz OCLIZTXZVVJOQR-SFHVURJKSA-N -1 0 389.839 3.505 20 5 GHBDRM O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1c(F)cc([O-])cc1F ZINC000815212447 893618013 /nfs/dbraw/zinc/61/80/13/893618013.db2.gz QNTQSCVJUPBVJS-UHFFFAOYSA-N -1 0 377.221 3.954 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000537365984 894838050 /nfs/dbraw/zinc/83/80/50/894838050.db2.gz JGQREGVCXHRTOB-OAHLLOKOSA-N -1 0 397.214 3.636 20 5 GHBDRM O=C([O-])c1ccc(OCCN(Cc2ccccc2[N+](=O)[O-])C2CC2)c(Cl)c1 ZINC000564578527 895096407 /nfs/dbraw/zinc/09/64/07/895096407.db2.gz WUJURIALJDHDCE-UHFFFAOYSA-N -1 0 390.823 3.990 20 5 GHBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(OCC(F)(F)F)cc1 ZINC001136385585 897579945 /nfs/dbraw/zinc/57/99/45/897579945.db2.gz ZMUGVUYLAYEXAF-SNVBAGLBSA-N -1 0 384.310 3.733 20 5 GHBDRM CC(=O)c1ccccc1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000821128019 897728803 /nfs/dbraw/zinc/72/88/03/897728803.db2.gz PKFUPSARTWDWJB-UHFFFAOYSA-N -1 0 389.216 3.905 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc2nc(Cl)sc2c1 ZINC000821097239 897743164 /nfs/dbraw/zinc/74/31/64/897743164.db2.gz PZUGBYBFWRBZJJ-UHFFFAOYSA-N -1 0 387.801 3.798 20 5 GHBDRM O=C1CCCc2ccc([N-]S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)cc21 ZINC000821184412 897752867 /nfs/dbraw/zinc/75/28/67/897752867.db2.gz BCFJVQIQRBQONR-UHFFFAOYSA-N -1 0 398.799 3.707 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000109693652 898571488 /nfs/dbraw/zinc/57/14/88/898571488.db2.gz ITWJJCIBYQJSRJ-GOSISDBHSA-N -1 0 390.823 3.540 20 5 GHBDRM CCOc1ccc([C@@H](C)Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1OCC ZINC000569729196 898912823 /nfs/dbraw/zinc/91/28/23/898912823.db2.gz ZYGQVOROMCCOBW-GFCCVEGCSA-N -1 0 389.408 3.967 20 5 GHBDRM O=C([O-])/C=C/c1ccc(NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000844215167 900609613 /nfs/dbraw/zinc/60/96/13/900609613.db2.gz ZQZNJXHUWSXFNI-XVBBPSCPSA-N -1 0 388.342 3.588 20 5 GHBDRM O=C([O-])c1c(NC(=O)N2CCC(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000574146640 900794359 /nfs/dbraw/zinc/79/43/59/900794359.db2.gz WDLLDCSDCICVDD-UHFFFAOYSA-N -1 0 383.404 3.780 20 5 GHBDRM Cc1ccc(C2(c3noc(-c4ccc([N+](=O)[O-])c([O-])c4)n3)CCOCC2)cc1 ZINC000576982092 902407695 /nfs/dbraw/zinc/40/76/95/902407695.db2.gz DXAMWRNNMIVVPH-UHFFFAOYSA-N -1 0 381.388 3.755 20 5 GHBDRM CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])c2C1 ZINC001146838997 903622914 /nfs/dbraw/zinc/62/29/14/903622914.db2.gz CQWMGHKTQARWGU-UHFFFAOYSA-N -1 0 399.403 3.803 20 5 GHBDRM C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nc(C2CCCCC2)no1 ZINC001148095707 903971728 /nfs/dbraw/zinc/97/17/28/903971728.db2.gz JTNSTTYNCMROPM-VIFPVBQESA-N -1 0 394.815 3.876 20 5 GHBDRM CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000779127416 904419081 /nfs/dbraw/zinc/41/90/81/904419081.db2.gz LRDXJNDDSAVOEL-UHFFFAOYSA-N -1 0 387.392 3.577 20 5 GHBDRM CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000773193663 904550793 /nfs/dbraw/zinc/55/07/93/904550793.db2.gz XQIDRFMIWXUTLV-CQSZACIVSA-N -1 0 394.431 3.690 20 5 GHBDRM Cc1nc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)nc(Cl)c1Br ZINC001174502420 907079131 /nfs/dbraw/zinc/07/91/31/907079131.db2.gz NVVWCKHGAHCKNX-UHFFFAOYSA-N -1 0 387.577 3.551 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)c1[N+](=O)[O-] ZINC000191781227 907240147 /nfs/dbraw/zinc/24/01/47/907240147.db2.gz WOSOGVACSNDCLT-UHFFFAOYSA-N -1 0 377.466 3.695 20 5 GHBDRM COC(=O)c1c(Cl)cc(Cl)nc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176674612 908203914 /nfs/dbraw/zinc/20/39/14/908203914.db2.gz MTDTVGKHPFJCQA-UHFFFAOYSA-N -1 0 386.147 3.525 20 5 GHBDRM CCOc1ncc(Br)cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176673893 908204012 /nfs/dbraw/zinc/20/40/12/908204012.db2.gz BLEPOLPTHMOHSM-UHFFFAOYSA-N -1 0 382.170 3.593 20 5 GHBDRM Cc1ccc(C(=O)NCc2ccco2)cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176679705 908206912 /nfs/dbraw/zinc/20/69/12/908206912.db2.gz KXDZSFKHPGFMDA-UHFFFAOYSA-N -1 0 395.371 3.868 20 5 GHBDRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000194772773 908966500 /nfs/dbraw/zinc/96/65/00/908966500.db2.gz SUGKLVFUFGYIEP-UHFFFAOYSA-N -1 0 394.786 3.777 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)c1 ZINC000795346715 910027441 /nfs/dbraw/zinc/02/74/41/910027441.db2.gz UDQISZZUZYCNLK-UHFFFAOYSA-N -1 0 396.787 3.578 20 5 GHBDRM COc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1F ZINC000795351338 910036556 /nfs/dbraw/zinc/03/65/56/910036556.db2.gz LOHXUNZDDXZSOO-UHFFFAOYSA-N -1 0 392.767 3.644 20 5 GHBDRM O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119775702 919652314 /nfs/dbraw/zinc/65/23/14/919652314.db2.gz RWBIFCODFOVKST-UHFFFAOYSA-N -1 0 377.347 3.821 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000119803210 919657431 /nfs/dbraw/zinc/65/74/31/919657431.db2.gz UXLHNYYAGBNYHM-UHFFFAOYSA-N -1 0 385.785 3.574 20 5 GHBDRM C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001137307330 924447539 /nfs/dbraw/zinc/44/75/39/924447539.db2.gz YDUNYGWYUPBJCD-SECBINFHSA-N -1 0 397.200 3.563 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2ccc(Cl)cc2n1 ZINC000410334399 925541930 /nfs/dbraw/zinc/54/19/30/925541930.db2.gz FCZCHEXNFFRYPM-UHFFFAOYSA-N -1 0 393.808 3.606 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c([N+](=O)[O-])c1 ZINC000410423885 925631060 /nfs/dbraw/zinc/63/10/60/925631060.db2.gz ZWRLUNXWHIGASM-UHFFFAOYSA-N -1 0 395.195 3.850 20 5 GHBDRM CC1CCN(c2nnc(SCc3cc([O-])ccc3[N+](=O)[O-])n2C2CC2)CC1 ZINC000412984114 928070251 /nfs/dbraw/zinc/07/02/51/928070251.db2.gz BPPFDPXRJKQRHO-UHFFFAOYSA-N -1 0 389.481 3.755 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)s2)c1C ZINC000752197580 928678107 /nfs/dbraw/zinc/67/81/07/928678107.db2.gz IXAUJUXCTAIVSH-UHFFFAOYSA-N -1 0 396.494 3.912 20 5 GHBDRM Cc1[nH]nc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1-c1ccccc1 ZINC000544626726 929361328 /nfs/dbraw/zinc/36/13/28/929361328.db2.gz PPCMXCSUQYYAMQ-UHFFFAOYSA-N -1 0 386.433 3.711 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)cc1[N+](=O)[O-] ZINC000758162092 929954194 /nfs/dbraw/zinc/95/41/94/929954194.db2.gz IDQUPHWSPUFBCW-UHFFFAOYSA-N -1 0 395.195 3.856 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1csc(-c2ccccn2)n1 ZINC000758170733 929959514 /nfs/dbraw/zinc/95/95/14/929959514.db2.gz PNGCVBKUMUUZHY-UHFFFAOYSA-N -1 0 396.837 3.568 20 5 GHBDRM O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469576194 930002728 /nfs/dbraw/zinc/00/27/28/930002728.db2.gz IMHUHWBPGNQWHF-UHFFFAOYSA-N -1 0 383.404 3.569 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000783850910 931690925 /nfs/dbraw/zinc/69/09/25/931690925.db2.gz XNLIOSDRHYSQRP-SNVBAGLBSA-N -1 0 384.845 3.525 20 5 GHBDRM CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1F ZINC000798246713 932575436 /nfs/dbraw/zinc/57/54/36/932575436.db2.gz GDBXPRAFRQUENS-UHFFFAOYSA-N -1 0 392.767 3.726 20 5 GHBDRM CC(C)CN(C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])C(C)C ZINC000798286545 932594759 /nfs/dbraw/zinc/59/47/59/932594759.db2.gz IZTMXVZADBTOSH-UHFFFAOYSA-N -1 0 380.832 3.646 20 5 GHBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000798297329 932598260 /nfs/dbraw/zinc/59/82/60/932598260.db2.gz FTOHQZWJXXLHCH-QGZVFWFLSA-N -1 0 398.440 3.738 20 5 GHBDRM C[C@@H](OC(=O)c1cc([S-])ccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000798725350 932755896 /nfs/dbraw/zinc/75/58/96/932755896.db2.gz PPGRLWRAOLTLOQ-MRVPVSSYSA-N -1 0 398.799 3.860 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC(Cc2ccccc2C(F)(F)F)C1 ZINC001116311813 933473038 /nfs/dbraw/zinc/47/30/38/933473038.db2.gz XDCDDFWGDLBWRQ-UHFFFAOYSA-N -1 0 380.322 3.634 20 5 GHBDRM CC(=O)c1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 ZINC000777837527 933669165 /nfs/dbraw/zinc/66/91/65/933669165.db2.gz ZMMRGOIHTHGGLE-UHFFFAOYSA-N -1 0 383.404 3.746 20 5 GHBDRM O=C([O-])CC1(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCCCC1 ZINC001594982920 950984369 /nfs/dbraw/zinc/98/43/69/950984369.db2.gz IUTDXGPROTTWFZ-UHFFFAOYSA-N -1 0 378.428 3.589 20 5 GHBDRM O=C([O-])[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)Cc2ccccc21 ZINC001594951899 954961305 /nfs/dbraw/zinc/96/13/05/954961305.db2.gz SUTNWRGSDGMLLI-HNNXBMFYSA-N -1 0 391.221 3.541 20 5 GHBDRM O=C([O-])[C@H]1c2ccccc2CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001594963954 955031437 /nfs/dbraw/zinc/03/14/37/955031437.db2.gz AKZQQRKRHMGZHQ-MRXNPFEDSA-N -1 0 391.221 3.541 20 5 GHBDRM Cc1cc(C(=O)[O-])cc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC001594286630 957784134 /nfs/dbraw/zinc/78/41/34/957784134.db2.gz TZVAXXUDSXMATB-UHFFFAOYSA-N -1 0 382.294 3.550 20 5 GHBDRM C[C@@H](C(=O)[O-])C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC001588573989 959206492 /nfs/dbraw/zinc/20/64/92/959206492.db2.gz RHYSZTLACDMKOQ-SECBINFHSA-N -1 0 396.758 3.517 20 5 GHBDRM CC(C)Oc1c(NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC001591747059 975788667 /nfs/dbraw/zinc/78/86/67/975788667.db2.gz ZCRABFPKTDLXNN-LBPRGKRZSA-N -1 0 387.392 3.963 20 5 GHBDRM C[C@@H](C[C@@H]1CCOC1)Nc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001592464716 978203328 /nfs/dbraw/zinc/20/33/28/978203328.db2.gz XSLZCRMMVJDEQK-KBPBESRZSA-N -1 0 398.415 3.751 20 5 GHBDRM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595016309 979071187 /nfs/dbraw/zinc/07/11/87/979071187.db2.gz UCUBWCHKKPXMRP-LLVKDONJSA-N -1 0 379.390 3.574 20 5 GHBDRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 ZINC000840943724 979281668 /nfs/dbraw/zinc/28/16/68/979281668.db2.gz JOSLNENRKPFEDU-ZDUSSCGKSA-N -1 0 383.404 3.635 20 5 GHBDRM C[C@@H](Cc1ccc(F)c(Br)c1)Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001592840321 979605460 /nfs/dbraw/zinc/60/54/60/979605460.db2.gz WSQPUQJSBOPOKJ-QMMMGPOBSA-N -1 0 398.188 3.633 20 5 GHBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001595211262 979990076 /nfs/dbraw/zinc/99/00/76/979990076.db2.gz FVMBKDQHQOMESI-CQSZACIVSA-N -1 0 397.387 3.991 20 5 GHBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC001595212163 979996804 /nfs/dbraw/zinc/99/68/04/979996804.db2.gz MDKJNVLGADTYPT-GUYCJALGSA-N -1 0 375.352 3.672 20 5 GHBDRM CC[C@@H](Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001595316705 980485056 /nfs/dbraw/zinc/48/50/56/980485056.db2.gz GYTUOUMDGXULSJ-CQSZACIVSA-N -1 0 391.811 3.626 20 5 GHBDRM CCCN(Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)Cc1ccc(F)cc1F ZINC001595899174 982948405 /nfs/dbraw/zinc/94/84/05/982948405.db2.gz GKNHITDVINMAPW-UHFFFAOYSA-N -1 0 394.374 3.749 20 5 GHBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001595987741 983239989 /nfs/dbraw/zinc/23/99/89/983239989.db2.gz PHHSIXRNKJCZEA-OAHLLOKOSA-N -1 0 386.429 3.926 20 5 GHBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@H](CC1CCCC1)c1ccccc1 ZINC001188451814 1014971234 /nfs/dbraw/zinc/97/12/34/1014971234.db2.gz VMCFAGVZZJICLW-MRXNPFEDSA-N -1 0 375.450 3.590 20 5 GHBDRM C[C@H](NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC001599894968 984741449 /nfs/dbraw/zinc/74/14/49/984741449.db2.gz LOJHGCRRYXWAKH-JTQLQIEISA-N -1 0 393.783 3.594 20 5 GHBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001589000588 984940689 /nfs/dbraw/zinc/94/06/89/984940689.db2.gz BELGWGRHOIGTBM-JICACKBISA-N -1 0 388.807 3.984 20 5 GHBDRM CC(=O)N(c1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cc1)C1CC1 ZINC001589051367 985138715 /nfs/dbraw/zinc/13/87/15/985138715.db2.gz GVFCUCYHVFXDGD-QDEBKDIKSA-N -1 0 381.388 3.952 20 5 GHBDRM Cc1[nH]c(C(=O)[C@H](C)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c(C)c1C(=O)[O-] ZINC001599942830 985477067 /nfs/dbraw/zinc/47/70/67/985477067.db2.gz UYTQXPCJXSUMPI-NSHDSACASA-N -1 0 393.827 3.595 20 5 GHBDRM CCO[C@@H]1C[C@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])[C@@H]1Oc1ccccc1 ZINC001596841674 985526156 /nfs/dbraw/zinc/52/61/56/985526156.db2.gz BGRBEWMTVJEVRI-UHOSZYNNSA-N -1 0 386.404 3.638 20 5 GHBDRM CCOc1ccc(C(=O)N2CCCc3ccc(C)c(C(=O)[O-])c32)cc1[N+](=O)[O-] ZINC001597060200 986545818 /nfs/dbraw/zinc/54/58/18/986545818.db2.gz RVUMAWLWUAOKAX-UHFFFAOYSA-N -1 0 384.388 3.593 20 5 GHBDRM CCOc1ccc(Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1Br ZINC001597125923 986833986 /nfs/dbraw/zinc/83/39/86/986833986.db2.gz KKTZCPLDDNMDEV-UHFFFAOYSA-N -1 0 396.197 3.901 20 5 GHBDRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001589592729 987403167 /nfs/dbraw/zinc/40/31/67/987403167.db2.gz ASKXUJPGQHNTSK-GOSISDBHSA-N -1 0 397.431 3.515 20 5 GHBDRM CCc1[nH]nc(C(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)[O-])c1[N+](=O)[O-] ZINC001597399467 987657741 /nfs/dbraw/zinc/65/77/41/987657741.db2.gz GSYNXSMDWSUVCQ-UHFFFAOYSA-N -1 0 396.359 3.623 20 5 GHBDRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001589702820 987802811 /nfs/dbraw/zinc/80/28/11/987802811.db2.gz PVTIVRMTWTUXBL-LLVKDONJSA-N -1 0 377.319 3.625 20 5 GHBDRM CCc1ccc(C(=O)Oc2ccc3c(c2)c(C(=O)[O-])c(C)n3C)cc1[N+](=O)[O-] ZINC001597508232 988084716 /nfs/dbraw/zinc/08/47/16/988084716.db2.gz IGIHJSUWLXEEOJ-UHFFFAOYSA-N -1 0 382.372 3.875 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001597563765 988318063 /nfs/dbraw/zinc/31/80/63/988318063.db2.gz VTUGDOZCDMKVEP-MRXNPFEDSA-N -1 0 385.420 3.531 20 5 GHBDRM CC(C)(C)OC(=O)CC[C@@H]1CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001589873109 988515200 /nfs/dbraw/zinc/51/52/00/988515200.db2.gz IRYBXQIKGVWHQD-AWEZNQCLSA-N -1 0 392.452 3.560 20 5 GHBDRM CC(C)(C)OC(=O)Cc1cccc(NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001589901609 988611066 /nfs/dbraw/zinc/61/10/66/988611066.db2.gz VHCPCDNORAEIRS-UHFFFAOYSA-N -1 0 386.404 3.789 20 5 GHBDRM CCc1nc2ccccc2c(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1C ZINC001597695886 988896889 /nfs/dbraw/zinc/89/68/89/988896889.db2.gz MUPCRZVDRXSUBT-UHFFFAOYSA-N -1 0 380.356 3.931 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)N2CCOc3ccccc3[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001590475373 990049315 /nfs/dbraw/zinc/04/93/15/990049315.db2.gz LMHCUVLEMHRJPG-SFHVURJKSA-N -1 0 398.415 3.553 20 5 GHBDRM CC(C)(C)c1nc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])sc1C(=O)[O-] ZINC001590541603 990165497 /nfs/dbraw/zinc/16/54/97/990165497.db2.gz BVCUESGJIMSKKX-UHFFFAOYSA-N -1 0 391.449 3.963 20 5 GHBDRM COc1ccccc1C[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC001599707013 991308002 /nfs/dbraw/zinc/30/80/02/991308002.db2.gz IDFUFZZCBUVFEM-CQSZACIVSA-N -1 0 381.388 3.507 20 5 GHBDRM COc1ccccc1C[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])C(=O)[O-] ZINC001599710375 991361240 /nfs/dbraw/zinc/36/12/40/991361240.db2.gz MDSSPDPIPXFZAX-CQSZACIVSA-N -1 0 381.388 3.507 20 5 GHBDRM C[C@](NC(=O)c1ccc(Cl)c(Cl)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593162336 993996637 /nfs/dbraw/zinc/99/66/37/993996637.db2.gz JAVHRHDXCYDQOH-MRXNPFEDSA-N -1 0 383.187 3.631 20 5 GHBDRM COc1ccc2nc(/C=C/c3ccc(OCC(=O)[O-])c([N+](=O)[O-])c3)sc2c1 ZINC001599637131 994306129 /nfs/dbraw/zinc/30/61/29/994306129.db2.gz XLCWESFYUIASFL-XVNBXDOJSA-N -1 0 386.385 3.847 20 5 GHBDRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC001599650415 994489889 /nfs/dbraw/zinc/48/98/89/994489889.db2.gz WBGZULBRWBHWOQ-YXAHYSCSSA-N -1 0 398.415 3.513 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001593667601 996059237 /nfs/dbraw/zinc/05/92/37/996059237.db2.gz RKQVJMRYIQVEPM-BLLLJJGKSA-N -1 0 380.466 3.615 20 5 GHBDRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c(OC(C)C)c1 ZINC001599485515 996842637 /nfs/dbraw/zinc/84/26/37/996842637.db2.gz FCNHWZOXEKQTQQ-UHFFFAOYSA-N -1 0 388.376 3.650 20 5 GHBDRM COc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001599503313 997165850 /nfs/dbraw/zinc/16/58/50/997165850.db2.gz GHWYZSWWGKHKKW-CQSZACIVSA-N -1 0 399.277 3.605 20 5 GHBDRM CC1(C)OCC[C@H]1Nc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001593980844 997194716 /nfs/dbraw/zinc/19/47/16/997194716.db2.gz GOHXNXFIHXAUHV-QGZVFWFLSA-N -1 0 384.388 3.503 20 5 GHBDRM COCCCOc1cccc(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC001599228542 997803692 /nfs/dbraw/zinc/80/36/92/997803692.db2.gz JWKVIMUIZYHLBW-UHFFFAOYSA-N -1 0 394.811 3.974 20 5 GHBDRM COc1cc(Br)cc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001599346249 998011002 /nfs/dbraw/zinc/01/10/02/998011002.db2.gz AWQGIFJFWNYZLT-UHFFFAOYSA-N -1 0 395.209 3.605 20 5 GHBDRM COc1cc(OC)cc([C@H](SCCOc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c1 ZINC001599451489 998110186 /nfs/dbraw/zinc/11/01/86/998110186.db2.gz IGURSBIVTWHAEP-KRWDZBQOSA-N -1 0 393.417 3.550 20 5 GHBDRM COc1cc(C(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001599354738 998160384 /nfs/dbraw/zinc/16/03/84/998160384.db2.gz HIJSKZIAMVWDNZ-UHFFFAOYSA-N -1 0 378.768 3.824 20 5 GHBDRM COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1SC ZINC001599461823 998285814 /nfs/dbraw/zinc/28/58/14/998285814.db2.gz CBXDBKJEOHJYFH-UHFFFAOYSA-N -1 0 376.390 3.584 20 5 GHBDRM C[C@H]1CC=CC[C@H]1COC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001594290339 999117372 /nfs/dbraw/zinc/11/73/72/999117372.db2.gz GIYGOJOILFXJIH-STQMWFEESA-N -1 0 379.434 3.921 20 5 GHBDRM C[C@H]1CCCN(c2ccc(C(=O)Nc3sccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594387410 999465559 /nfs/dbraw/zinc/46/55/59/999465559.db2.gz AGSRDERMKOFLKK-NSHDSACASA-N -1 0 389.433 3.843 20 5 GHBDRM CC1CCN(c2ccc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2)CC1 ZINC001594434168 999612489 /nfs/dbraw/zinc/61/24/89/999612489.db2.gz DINLUALLXCMWQV-UHFFFAOYSA-N -1 0 383.404 3.782 20 5 GHBDRM CCOC(=O)c1cnc(/C=C/C(C)=C\c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000469121591 1016520712 /nfs/dbraw/zinc/52/07/12/1016520712.db2.gz WVULBZTZMFLQEZ-UFVXJIOISA-N -1 0 382.372 3.981 20 5 GHBDRM CSc1nc(O[C@@H](C)c2ccccc2OC(F)(F)F)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227627746 1032491344 /nfs/dbraw/zinc/49/13/44/1032491344.db2.gz ISSCETJWZPCJTE-ZETCQYMHSA-N -1 0 391.327 3.851 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@H](Cc2nccs2)C1 ZINC000928269154 1017506625 /nfs/dbraw/zinc/50/66/25/1017506625.db2.gz ITCPTVAJFRRMNP-SNVBAGLBSA-N -1 0 381.841 3.505 20 5 GHBDRM Cc1c(Cl)cccc1N1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000572788401 1019800950 /nfs/dbraw/zinc/80/09/50/1019800950.db2.gz ZCJVHNAKRMONDZ-UHFFFAOYSA-N -1 0 389.839 3.615 20 5 GHBDRM O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@@H](c2ccccc2)C2CCOCC2)[n-]1 ZINC001228241468 1032858778 /nfs/dbraw/zinc/85/87/78/1032858778.db2.gz CEYMHSWOQAFIEL-SFHVURJKSA-N -1 0 381.388 3.790 20 5 GHBDRM O=C([O-])CCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000754392514 1022667950 /nfs/dbraw/zinc/66/79/50/1022667950.db2.gz NFGRFHZTPAJERA-UHFFFAOYSA-N -1 0 378.768 3.631 20 5 GHBDRM C[C@H](CCC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000755571745 1023297837 /nfs/dbraw/zinc/29/78/37/1023297837.db2.gz DNAUBBNCKLRULM-SNVBAGLBSA-N -1 0 376.862 3.516 20 5 GHBDRM C[C@@H](CCC(C)(C)C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000755640158 1023322365 /nfs/dbraw/zinc/32/23/65/1023322365.db2.gz WSKCKUGQMFSFAM-JTQLQIEISA-N -1 0 376.862 3.516 20 5 GHBDRM CCCCC[C@@H](C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000756250277 1023564730 /nfs/dbraw/zinc/56/47/30/1023564730.db2.gz IEQXOPNAVRNVEK-GFCCVEGCSA-N -1 0 390.889 3.906 20 5 GHBDRM CC1(C)CCC[C@@H](CC(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000756533256 1023701739 /nfs/dbraw/zinc/70/17/39/1023701739.db2.gz RWEMUUABENYCKR-NSHDSACASA-N -1 0 388.873 3.660 20 5 GHBDRM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837383854 1024401386 /nfs/dbraw/zinc/40/13/86/1024401386.db2.gz GIVWNWFFGASCMN-UHFFFAOYSA-N -1 0 396.403 3.860 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000831949065 1025052470 /nfs/dbraw/zinc/05/24/70/1025052470.db2.gz OXEFNIVIYYTZAL-ONGXEEELSA-N -1 0 384.351 3.523 20 5 GHBDRM O=C(NCCc1ccc(Br)cc1Cl)c1cc([N+](=O)[O-])ccc1[O-] ZINC001141560160 1025543707 /nfs/dbraw/zinc/54/37/07/1025543707.db2.gz UEIFELCCZBCMAA-UHFFFAOYSA-N -1 0 399.628 3.689 20 5 GHBDRM CC(C)(NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Br)cc1 ZINC001141655377 1026101208 /nfs/dbraw/zinc/10/12/08/1026101208.db2.gz IIPRGWAPCKQCDN-UHFFFAOYSA-N -1 0 379.210 3.728 20 5 GHBDRM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001211458996 1027970352 /nfs/dbraw/zinc/97/03/52/1027970352.db2.gz JBYJLBYAIKMMNP-HNAYVOBHSA-N -1 0 390.461 3.538 20 5 GHBDRM O=C(NCc1cc(Cl)cc(Br)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001142320001 1028685530 /nfs/dbraw/zinc/68/55/30/1028685530.db2.gz HYVQIXQDUCXRTH-UHFFFAOYSA-N -1 0 385.601 3.646 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])c(-c2nc(-c3cc(F)cc(Br)c3)no2)c1 ZINC001215379246 1029180376 /nfs/dbraw/zinc/18/03/76/1029180376.db2.gz WCZYWTCUXAIOIF-UHFFFAOYSA-N -1 0 380.129 3.919 20 5 GHBDRM COc1cc([N+](=O)[O-])c(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1[O-] ZINC001216343417 1029609543 /nfs/dbraw/zinc/60/95/43/1029609543.db2.gz BGKFKQRKRRRGJZ-UHFFFAOYSA-N -1 0 397.265 3.925 20 5 GHBDRM COc1c(Br)cccc1-c1noc(-c2ccc([N+](=O)[O-])cc2[O-])n1 ZINC001216558006 1029685464 /nfs/dbraw/zinc/68/54/64/1029685464.db2.gz OSLQLVVFEIAEPI-UHFFFAOYSA-N -1 0 392.165 3.789 20 5 GHBDRM COc1ccc(-c2noc(-c3c([O-])cccc3[N+](=O)[O-])n2)c(Br)c1 ZINC001216845659 1029960240 /nfs/dbraw/zinc/96/02/40/1029960240.db2.gz ZYKKNDIATRUKOS-UHFFFAOYSA-N -1 0 392.165 3.789 20 5 GHBDRM Cc1cc(C)n(-c2ccc(-c3noc(-c4cc([N+](=O)[O-])c(C)cc4[O-])n3)cn2)n1 ZINC001216945811 1030018818 /nfs/dbraw/zinc/01/88/18/1030018818.db2.gz ATUDLOGMSSHARY-UHFFFAOYSA-N -1 0 392.375 3.523 20 5 GHBDRM COc1cc2c(cc1-c1noc(-c3cc([N+](=O)[O-])c(C)cc3[O-])n1)CCCC2=O ZINC001216946462 1030019723 /nfs/dbraw/zinc/01/97/23/1030019723.db2.gz SEJAOQBOGCQXFD-UHFFFAOYSA-N -1 0 395.371 3.853 20 5 GHBDRM COc1cc(OC)cc(-c2noc(-c3cc([O-])c(Cl)cc3[N+](=O)[O-])n2)c1 ZINC001217101231 1030166155 /nfs/dbraw/zinc/16/61/55/1030166155.db2.gz MRAGCODYUKOMKM-UHFFFAOYSA-N -1 0 377.740 3.688 20 5 GHBDRM O=c1c(-c2nc(-c3cccc4cnccc43)no2)c[n-]c2ccc([N+](=O)[O-])cc21 ZINC001217437875 1030392215 /nfs/dbraw/zinc/39/22/15/1030392215.db2.gz BORAVHOALIZVDR-UHFFFAOYSA-N -1 0 385.339 3.702 20 5 GHBDRM Cc1cc(F)cc(-c2noc(-c3c[n-]c4ccc([N+](=O)[O-])cc4c3=O)n2)c1F ZINC001217439034 1030393748 /nfs/dbraw/zinc/39/37/48/1030393748.db2.gz SHENBCCDHZWDJI-UHFFFAOYSA-N -1 0 384.298 3.740 20 5 GHBDRM CCOc1cccc(-c2noc(-c3cc(=O)c4cc([N+](=O)[O-])ccc4[n-]3)n2)c1 ZINC001217509646 1030451367 /nfs/dbraw/zinc/45/13/67/1030451367.db2.gz ACUKGRDPPXXJAM-UHFFFAOYSA-N -1 0 378.344 3.552 20 5 GHBDRM O=c1cc(-c2nc(-c3ccc4cnccc4c3)no2)[n-]c2ccc([N+](=O)[O-])cc12 ZINC001217510009 1030453232 /nfs/dbraw/zinc/45/32/32/1030453232.db2.gz SPENWSKQMJNOBR-UHFFFAOYSA-N -1 0 385.339 3.702 20 5 GHBDRM CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@H]2Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225622335 1031514540 /nfs/dbraw/zinc/51/45/40/1031514540.db2.gz HCNRRUDKVMXZLM-KXBFYZLASA-N -1 0 378.425 3.859 20 5 GHBDRM CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c2ccccc21 ZINC001153455024 1031599714 /nfs/dbraw/zinc/59/97/14/1031599714.db2.gz GWPZMBFALGGGEC-CQSZACIVSA-N -1 0 399.403 3.778 20 5 GHBDRM COc1ccc(-c2coc3cc([O-])ccc3c2=O)cc1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001230122142 1033908308 /nfs/dbraw/zinc/90/83/08/1033908308.db2.gz IBQLZRNFIMIJBB-FQEVSTJZSA-N -1 0 397.383 3.608 20 5 GHBDRM CC(C)(C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)OC(C)(C)C ZINC001158447395 1034080335 /nfs/dbraw/zinc/08/03/35/1034080335.db2.gz HFHMVHRGJQISIT-ZDUSSCGKSA-N 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CC(C)=CCc1c([O-])cc2oc3ccc(O)cc3c(=O)c2c1O[C@H]1CCOC1=O ZINC001234740338 1040264899 /nfs/dbraw/zinc/26/48/99/1040264899.db2.gz JIDXEACCXRZSRX-KRWDZBQOSA-N -1 0 396.395 3.560 20 5 GHBDRM Cc1ccc([C@H]2C[C@H]2c2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])o2)cc1 ZINC001257335615 1043966846 /nfs/dbraw/zinc/96/68/46/1043966846.db2.gz SLQZNDFIEUSJHV-CHWSQXEVSA-N -1 0 382.332 3.838 20 5 GHBDRM CC[C@H](C)C[C@@H](C)NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001293944043 1044391627 /nfs/dbraw/zinc/39/16/27/1044391627.db2.gz VOWRRWJNEUYJAP-WDEREUQCSA-N -1 0 380.832 3.694 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ncoc1CCC(F)(F)F ZINC001295614464 1045071826 /nfs/dbraw/zinc/07/18/26/1045071826.db2.gz LLDATQJVRRLQNQ-UHFFFAOYSA-N -1 0 379.678 3.689 20 5 GHBDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc2cccnc2c2ncccc12 ZINC001260298382 1045450597 /nfs/dbraw/zinc/45/05/97/1045450597.db2.gz SGNKBCZSKRQCBH-UHFFFAOYSA-N -1 0 379.441 3.901 20 5 GHBDRM O=C(N[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)c1cccc([N+](=O)[O-])c1[O-] ZINC001299833708 1046061139 /nfs/dbraw/zinc/06/11/39/1046061139.db2.gz LSEVGGLFKOGTRZ-HNNXBMFYSA-N -1 0 397.284 3.954 20 5 GHBDRM COc1cccc2c1CCC[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC001305277520 1047962472 /nfs/dbraw/zinc/96/24/72/1047962472.db2.gz RXOVQWQKVNBLQT-CYBMUJFWSA-N -1 0 390.823 3.640 20 5 GHBDRM CC(C)(C)OC(=O)NCc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001305458674 1048066425 /nfs/dbraw/zinc/06/64/25/1048066425.db2.gz UETRMMYHOBUNJH-UHFFFAOYSA-N -1 0 387.392 3.577 20 5 GHBDRM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001309280055 1050550580 /nfs/dbraw/zinc/55/05/80/1050550580.db2.gz KHXLVMBBUJNAJA-RYUDHWBXSA-N -1 0 396.893 3.730 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1cn(C(F)F)c2ccccc12 ZINC001309746814 1050953010 /nfs/dbraw/zinc/95/30/10/1050953010.db2.gz LOZMWHROVCPKDK-UHFFFAOYSA-N -1 0 399.350 3.562 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccn(C2CCCCC2)n1 ZINC001320925990 1056018963 /nfs/dbraw/zinc/01/89/63/1056018963.db2.gz OFZQXDGHVWUOGG-UHFFFAOYSA-N -1 0 384.845 3.751 20 5 GHBDRM O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001440937059 1058660532 /nfs/dbraw/zinc/66/05/32/1058660532.db2.gz ZAUAELCGOQOKSV-KRWDZBQOSA-N -1 0 383.791 3.868 20 5 GHBDRM Cc1ccnc(-c2cccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])c2)n1 ZINC001443859518 1059218464 /nfs/dbraw/zinc/21/84/64/1059218464.db2.gz IGWONXABLFLNQY-UHFFFAOYSA-N -1 0 384.779 3.972 20 5 GHBDRM CC[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])Oc1ccccc1C(F)(F)F ZINC001445284163 1059494798 /nfs/dbraw/zinc/49/47/98/1059494798.db2.gz GJQRUTYNMUBUCD-GFCCVEGCSA-N -1 0 398.337 3.907 20 5 GHBDRM O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001545852971 1062042708 /nfs/dbraw/zinc/04/27/08/1062042708.db2.gz CPIAWWNBLYIDOA-BLLLJJGKSA-N -1 0 390.823 3.852 20 5 GHBDRM C[C@@]1(c2cccc(Br)c2)C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001466628525 1066220519 /nfs/dbraw/zinc/22/05/19/1066220519.db2.gz DRNBSAPRRZCHCC-DYVFJYSZSA-N -1 0 391.221 3.979 20 5 GHBDRM O=C(Nc1cccc([C@@H]2CCCC(=O)N2)c1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001471913395 1073257109 /nfs/dbraw/zinc/25/71/09/1073257109.db2.gz QEXGCCDMZYMHPJ-AWEZNQCLSA-N -1 0 389.795 3.547 20 5 GHBDRM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000007708571 221007018 /nfs/dbraw/zinc/00/70/18/221007018.db2.gz NQIDPZGKRMCFQH-UHFFFAOYSA-N -1 0 394.449 3.710 20 5 GHBDRM O=C([O-])C1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000262708104 597256958 /nfs/dbraw/zinc/25/69/58/597256958.db2.gz NYFMGCHKUVDPAT-UHFFFAOYSA-N -1 0 386.429 3.683 20 5 GHBDRM CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1C(=O)[O-] ZINC000737347810 599837019 /nfs/dbraw/zinc/83/70/19/599837019.db2.gz GSJCCYXHPITGQK-UHFFFAOYSA-N -1 0 383.385 3.693 20 5 GHBDRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000610852477 599869844 /nfs/dbraw/zinc/86/98/44/599869844.db2.gz SBWZMWNYOYZKSU-UHFFFAOYSA-N -1 0 395.396 3.919 20 5 GHBDRM COc1cc([N+](=O)[O-])c(C(=O)Oc2ccc(Cl)cc2C(=O)[O-])cc1SC ZINC000737906213 599907716 /nfs/dbraw/zinc/90/77/16/599907716.db2.gz XXYYVWGRGCSCDS-UHFFFAOYSA-N -1 0 397.792 3.896 20 5 GHBDRM O=C([O-])CSCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000739871912 599924032 /nfs/dbraw/zinc/92/40/32/599924032.db2.gz SKYRTADYWPVRQZ-UHFFFAOYSA-N -1 0 380.809 3.818 20 5 GHBDRM Cc1c(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000738262598 600086510 /nfs/dbraw/zinc/08/65/10/600086510.db2.gz FHUPCLNSCOILIQ-UHFFFAOYSA-N -1 0 392.299 3.601 20 5 GHBDRM Cc1ccc(NC(=O)c2ccc(N3CCC(CC(=O)[O-])CC3)c([N+](=O)[O-])c2)cc1 ZINC000738291993 600126040 /nfs/dbraw/zinc/12/60/40/600126040.db2.gz LAEXLAOBYRNMQU-UHFFFAOYSA-N -1 0 397.431 3.847 20 5 GHBDRM O=C([O-])c1cc(NC(=O)c2cc3c(cccc3OC(F)F)[nH]2)cc([N+](=O)[O-])c1 ZINC000740090021 600191657 /nfs/dbraw/zinc/19/16/57/600191657.db2.gz JOJWSOMVHLHVCE-UHFFFAOYSA-N -1 0 391.286 3.628 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000740094426 600241246 /nfs/dbraw/zinc/24/12/46/600241246.db2.gz FCVLNBUZEPGPBU-LLVKDONJSA-N -1 0 391.767 3.849 20 5 GHBDRM CCc1nc2ccccc2c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C ZINC000737284162 600243573 /nfs/dbraw/zinc/24/35/73/600243573.db2.gz NOYWGBXVEAGYOV-UHFFFAOYSA-N -1 0 379.372 3.964 20 5 GHBDRM Cc1cc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c(C(=O)[O-])[nH]1 ZINC000738448785 600257741 /nfs/dbraw/zinc/25/77/41/600257741.db2.gz OIRFUKJSERZBBW-UHFFFAOYSA-N -1 0 394.387 3.794 20 5 GHBDRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000736297869 600390905 /nfs/dbraw/zinc/39/09/05/600390905.db2.gz VXFMIIQMXMPQCW-KRWDZBQOSA-N -1 0 388.395 3.977 20 5 GHBDRM O=C([O-])c1cc(OS(=O)(=O)c2ccccc2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000740086857 600465053 /nfs/dbraw/zinc/46/50/53/600465053.db2.gz BDDZKCOPGSWQFJ-UHFFFAOYSA-N -1 0 399.380 3.728 20 5 GHBDRM O=C([O-])c1cc(NC(=O)COc2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c1 ZINC000739324602 600542671 /nfs/dbraw/zinc/54/26/71/600542671.db2.gz OUFSOLXDANMCHF-UHFFFAOYSA-N -1 0 385.159 3.617 20 5 GHBDRM Cc1c(C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000486369862 600600124 /nfs/dbraw/zinc/60/01/24/600600124.db2.gz HLDMCBIITRTFMG-KRWDZBQOSA-N -1 0 392.411 3.730 20 5 GHBDRM O=C([O-])[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000833118249 600704535 /nfs/dbraw/zinc/70/45/35/600704535.db2.gz CGXILPGXKFTWEB-HNNXBMFYSA-N -1 0 384.171 3.813 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832482041 600742178 /nfs/dbraw/zinc/74/21/78/600742178.db2.gz VGVQDXIRSKGNFT-OAHLLOKOSA-N -1 0 385.203 3.826 20 5 GHBDRM CSc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000776676079 600808115 /nfs/dbraw/zinc/80/81/15/600808115.db2.gz DCECPVVVIKLWDJ-ZDUSSCGKSA-N -1 0 394.836 3.916 20 5 GHBDRM Cc1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000486387095 600880535 /nfs/dbraw/zinc/88/05/35/600880535.db2.gz IIXSOGJNPIIHPM-AWEZNQCLSA-N -1 0 396.321 3.520 20 5 GHBDRM O=C([O-])C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 ZINC000833218142 600893647 /nfs/dbraw/zinc/89/36/47/600893647.db2.gz SNSXKAHURIKEGW-JTQLQIEISA-N -1 0 394.305 3.832 20 5 GHBDRM CCc1ccc(C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000237135007 601059625 /nfs/dbraw/zinc/05/96/25/601059625.db2.gz QDHWKKHTOCHMQJ-UHFFFAOYSA-N -1 0 392.358 3.553 20 5 GHBDRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000833317603 601147571 /nfs/dbraw/zinc/14/75/71/601147571.db2.gz YCERLQKXJXYHDW-UHFFFAOYSA-N -1 0 399.584 3.961 20 5 GHBDRM C[C@@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(C(=O)[O-])o1 ZINC000827854499 601194348 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Cc1cc(NCc2ccc(NC(=O)NC(C)C)cc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832898434 602314268 /nfs/dbraw/zinc/31/42/68/602314268.db2.gz JQISGFQJBMDXGF-UHFFFAOYSA-N -1 0 386.408 3.743 20 5 GHBDRM CN(C(=O)[O-])c1ccc(OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000827914391 603041073 /nfs/dbraw/zinc/04/10/73/603041073.db2.gz RAPDDZYVYBCLBI-UHFFFAOYSA-N -1 0 385.376 3.528 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000825623719 603048831 /nfs/dbraw/zinc/04/88/31/603048831.db2.gz NSQCYRZFGRZTRG-LLVKDONJSA-N -1 0 376.390 3.795 20 5 GHBDRM COc1cc([N+](=O)[O-])c(C(=O)Oc2cccc(NC(=O)[O-])c2)cc1SC ZINC000738079962 603478741 /nfs/dbraw/zinc/47/87/41/603478741.db2.gz TVWMUKZJRCKBLE-UHFFFAOYSA-N -1 0 378.362 3.634 20 5 GHBDRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000829192953 604245323 /nfs/dbraw/zinc/24/53/23/604245323.db2.gz UKHKTINCBMGXNA-UHFFFAOYSA-N -1 0 380.740 3.704 20 5 GHBDRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000833226672 604395944 /nfs/dbraw/zinc/39/59/44/604395944.db2.gz SKGCQKODUYEAOV-UHFFFAOYSA-N -1 0 376.796 3.755 20 5 GHBDRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000833213521 604631509 /nfs/dbraw/zinc/63/15/09/604631509.db2.gz IQQWRAAIOYSBIP-HNNXBMFYSA-N -1 0 385.376 3.858 20 5 GHBDRM COc1cc(N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)c([N+](=O)[O-])cc1F ZINC000832016641 604639965 /nfs/dbraw/zinc/63/99/65/604639965.db2.gz GUDXJLBHNWBIDG-UHFFFAOYSA-N -1 0 389.383 3.522 20 5 GHBDRM CC(=O)c1ccc(N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)c([N+](=O)[O-])c1 ZINC000825952169 604640176 /nfs/dbraw/zinc/64/01/76/604640176.db2.gz YQFJFILAFSHOBX-UHFFFAOYSA-N -1 0 383.404 3.577 20 5 GHBDRM O=C([O-])C[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC000833199936 604705456 /nfs/dbraw/zinc/70/54/56/604705456.db2.gz DWCBPXAMKXXETR-QGZVFWFLSA-N -1 0 386.429 3.729 20 5 GHBDRM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000833505409 604767058 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VTYDSQJGHBQXFM-SFHVURJKSA-N -1 0 378.450 3.566 20 5 GHBDRM CC(C)(C)C[C@@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000833429611 605236882 /nfs/dbraw/zinc/23/68/82/605236882.db2.gz MYQLZLUZWZRMIE-CYBMUJFWSA-N -1 0 378.406 3.765 20 5 GHBDRM O=C([O-])[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC000191483018 605303457 /nfs/dbraw/zinc/30/34/57/605303457.db2.gz KSRLUTMKTZHDRQ-HXUWFJFHSA-N -1 0 378.384 3.623 20 5 GHBDRM C/C(=C/C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000833383914 605344934 /nfs/dbraw/zinc/34/49/34/605344934.db2.gz VSPSULAWNOAGHS-NTMALXAHSA-N -1 0 392.314 3.936 20 5 GHBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000263004904 605464162 /nfs/dbraw/zinc/46/41/62/605464162.db2.gz VQOIHNLWLKNAEN-UHFFFAOYSA-N -1 0 380.466 3.860 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cc(C(=O)[O-])ccc1F ZINC000833546823 605809071 /nfs/dbraw/zinc/80/90/71/605809071.db2.gz WUYIQUCIURJXEW-JTQLQIEISA-N -1 0 379.365 3.656 20 5 GHBDRM O=C(Cc1csc(Cc2ccc(F)cc2)n1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000180769098 837525560 /nfs/dbraw/zinc/52/55/60/837525560.db2.gz ITNROWFLKTYLDS-UHFFFAOYSA-N -1 0 387.392 3.668 20 5 GHBDRM Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120113905 834548136 /nfs/dbraw/zinc/54/81/36/834548136.db2.gz GXSZNBMRZNKKPA-UHFFFAOYSA-N -1 0 391.268 3.836 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)cs1 ZINC000120187306 834779534 /nfs/dbraw/zinc/77/95/34/834779534.db2.gz KQZROMNCAVCYNM-UHFFFAOYSA-N -1 0 395.393 3.784 20 5 GHBDRM CCC[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)sc2C1 ZINC000409670478 835035271 /nfs/dbraw/zinc/03/52/71/835035271.db2.gz YIKFEFBXACSQBB-JTQLQIEISA-N -1 0 399.469 3.896 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cccc3c2CN(CC(C)C)C3)ccc1[N+](=O)[O-] ZINC000512944838 844015577 /nfs/dbraw/zinc/01/55/77/844015577.db2.gz JCCZYKCLGDWMOG-UHFFFAOYSA-N -1 0 389.477 3.676 20 5 GHBDRM Cc1cccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1Br ZINC000120338957 835165669 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CC(C)c1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)cc1 ZINC000122581249 839744840 /nfs/dbraw/zinc/74/48/40/839744840.db2.gz ZJPGJDYQMQUHFS-GFCCVEGCSA-N -1 0 396.490 3.778 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cc1[N+](=O)[O-] ZINC000119178446 839889726 /nfs/dbraw/zinc/88/97/26/839889726.db2.gz ZEJOWPLIBQVLTH-UHFFFAOYSA-N -1 0 395.231 3.667 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000175971455 840419832 /nfs/dbraw/zinc/41/98/32/840419832.db2.gz GTGWZNUZWKFEDW-UHFFFAOYSA-N -1 0 377.353 3.553 20 5 GHBDRM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000468790983 840556647 /nfs/dbraw/zinc/55/66/47/840556647.db2.gz BQANGOWJBXRNLV-UHFFFAOYSA-N -1 0 380.422 3.583 20 5 GHBDRM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])cc2)o1 ZINC000060442393 841234007 /nfs/dbraw/zinc/23/40/07/841234007.db2.gz VFSUZNJCZIJHHQ-UHFFFAOYSA-N -1 0 387.417 3.976 20 5 GHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccccc1OCc1ccccn1 ZINC000055470181 861220561 /nfs/dbraw/zinc/22/05/61/861220561.db2.gz QMESOLDSGKTARO-CMDGGOBGSA-N -1 0 377.356 3.832 20 5 GHBDRM CCCc1[nH]nc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)c1[N+](=O)[O-] ZINC000109627159 841982009 /nfs/dbraw/zinc/98/20/09/841982009.db2.gz ZHCHWSVCGMCSAO-UHFFFAOYSA-N -1 0 392.828 3.695 20 5 GHBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccccc1Br ZINC000131221661 861266902 /nfs/dbraw/zinc/26/69/02/861266902.db2.gz BMMBXPDBCYJTHX-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ncc(-c3ccc(F)cc3)s2)ccc1[N+](=O)[O-] ZINC000432355859 842157631 /nfs/dbraw/zinc/15/76/31/842157631.db2.gz GRQWVAMWDNEPIZ-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000155966684 842189208 /nfs/dbraw/zinc/18/92/08/842189208.db2.gz VMIGVFDOISADSS-VXGBXAGGSA-N -1 0 382.294 3.941 20 5 GHBDRM COc1ccc([N+](=O)[O-])c(Cc2nc(=O)c3snc(-c4ccccc4)c3[n-]2)c1 ZINC000555580324 861286496 /nfs/dbraw/zinc/28/64/96/861286496.db2.gz LZHRXRNAFLAZNS-UHFFFAOYSA-N -1 0 394.412 3.554 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)cc1C ZINC000098052318 842568763 /nfs/dbraw/zinc/56/87/63/842568763.db2.gz AHTPVJCTXZXSER-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM Cc1coc(-c2cc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])ccc2C)n1 ZINC000150799634 842931628 /nfs/dbraw/zinc/93/16/28/842931628.db2.gz QYQBRMPQUGPGRV-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185775830 861452158 /nfs/dbraw/zinc/45/21/58/861452158.db2.gz FFRNIJVVDYJMOH-INIZCTEOSA-N -1 0 378.388 3.675 20 5 GHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000610875968 844724016 /nfs/dbraw/zinc/72/40/16/844724016.db2.gz FCPRTVROPCHJFB-HTQZYQBOSA-N -1 0 386.248 3.503 20 5 GHBDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000473465835 844798622 /nfs/dbraw/zinc/79/86/22/844798622.db2.gz SDFXRXLNPKUPBD-UHFFFAOYSA-N -1 0 380.809 3.986 20 5 GHBDRM Cc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1OCC1CCOCC1 ZINC000513316097 845237095 /nfs/dbraw/zinc/23/70/95/845237095.db2.gz BFCYRRQDRGHNGW-UHFFFAOYSA-N -1 0 386.404 3.667 20 5 GHBDRM CC(C)c1[nH]nc(C(=O)Nc2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)c1[N+](=O)[O-] ZINC000433844112 845462833 /nfs/dbraw/zinc/46/28/33/845462833.db2.gz XOZGEOYMJPOSLZ-UHFFFAOYSA-N -1 0 397.439 3.776 20 5 GHBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000262903312 845671029 /nfs/dbraw/zinc/67/10/29/845671029.db2.gz GJWLZXGHIHSXOO-UHFFFAOYSA-N -1 0 386.429 3.604 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2F)cc1[N+](=O)[O-] ZINC000536460070 845911717 /nfs/dbraw/zinc/91/17/17/845911717.db2.gz OVXKNAIBLMVNEB-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC[C@@H]2c2ccccc2)ccc1[O-] ZINC000604040890 861619946 /nfs/dbraw/zinc/61/99/46/861619946.db2.gz ZUWXDQCVFNEIEK-MRXNPFEDSA-N -1 0 376.434 3.606 20 5 GHBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000263154715 845918017 /nfs/dbraw/zinc/91/80/17/845918017.db2.gz HUOOUPBPZFPLDO-UKRRQHHQSA-N -1 0 383.404 3.664 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(OC(F)F)c1 ZINC000183146273 846403999 /nfs/dbraw/zinc/40/39/99/846403999.db2.gz QZCGAWWUAKJPJX-UHFFFAOYSA-N -1 0 378.740 3.650 20 5 GHBDRM O=C(Cc1c(F)ccc(Br)c1F)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000502877958 846565270 /nfs/dbraw/zinc/56/52/70/846565270.db2.gz SSYMCNWMZKGQAK-UHFFFAOYSA-N -1 0 387.136 3.522 20 5 GHBDRM Cc1cc(N(C)Cc2nc(=O)c3sccc3[n-]2)c2cccc([N+](=O)[O-])c2n1 ZINC000563286067 846659353 /nfs/dbraw/zinc/65/93/53/846659353.db2.gz DFLQMJCEAASNKJ-UHFFFAOYSA-N -1 0 381.417 3.798 20 5 GHBDRM CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1nc(C(F)(F)F)cs1 ZINC000158102128 846950501 /nfs/dbraw/zinc/95/05/01/846950501.db2.gz PKYIOCSYUOPZSO-SECBINFHSA-N -1 0 375.328 3.657 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2ccc(CN=c3[n-]nc(Cc4ccccc4)o3)o2)cc1 ZINC000479771996 847859348 /nfs/dbraw/zinc/85/93/48/847859348.db2.gz NXRKDPKXDXGCEL-UHFFFAOYSA-N -1 0 376.372 3.863 20 5 GHBDRM Cc1nc(-c2ccc(CCNC(=O)c3cc([O-])ccc3[N+](=O)[O-])s2)cs1 ZINC000503694435 847895597 /nfs/dbraw/zinc/89/55/97/847895597.db2.gz GURBRVWKBIJCRY-UHFFFAOYSA-N -1 0 389.458 3.766 20 5 GHBDRM CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166187763 848171891 /nfs/dbraw/zinc/17/18/91/848171891.db2.gz ALCOAOCPPCQZPL-UHFFFAOYSA-N -1 0 382.376 3.527 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000504045539 849854930 /nfs/dbraw/zinc/85/49/30/849854930.db2.gz RDOJVCYGGYUDLJ-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM CC(=O)c1cc(N2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)ccc1[N+](=O)[O-] ZINC000514675133 850149191 /nfs/dbraw/zinc/14/91/91/850149191.db2.gz MSVGFHHLKQCKCC-AWEZNQCLSA-N -1 0 375.406 3.602 20 5 GHBDRM O=C(N=c1nc(Sc2ccccc2)[n-]s1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000518893818 850290942 /nfs/dbraw/zinc/29/09/42/850290942.db2.gz FQZYQNVSTGJNJG-UHFFFAOYSA-N -1 0 397.441 3.753 20 5 GHBDRM CC(C)(C)OCc1cccc(CN=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000486959074 850296654 /nfs/dbraw/zinc/29/66/54/850296654.db2.gz VVFOSFZBVMYUMU-UHFFFAOYSA-N -1 0 382.420 3.994 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(C)sc2c1 ZINC000519202798 850754433 /nfs/dbraw/zinc/75/44/33/850754433.db2.gz LZULAMLQEKIEEK-UHFFFAOYSA-N -1 0 377.447 3.876 20 5 GHBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425024659 850853216 /nfs/dbraw/zinc/85/32/16/850853216.db2.gz URNIZEUBIAKICN-UHFFFAOYSA-N -1 0 387.461 3.656 20 5 GHBDRM CCc1nc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1C(=O)[O-] ZINC000426645254 851122048 /nfs/dbraw/zinc/12/20/48/851122048.db2.gz CLFBPUOBNHHEJO-UHFFFAOYSA-N -1 0 381.388 3.800 20 5 GHBDRM O=C([O-])c1cc(N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)ccc1[N+](=O)[O-] ZINC000910354696 851169079 /nfs/dbraw/zinc/16/90/79/851169079.db2.gz PZHSIZYDBDPIEX-CYBMUJFWSA-N -1 0 391.374 3.648 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(Cl)c1-n1cccn1 ZINC000515629777 851271029 /nfs/dbraw/zinc/27/10/29/851271029.db2.gz MASNUVBNBZHNKW-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(OC(F)F)c1 ZINC000515634336 851277069 /nfs/dbraw/zinc/27/70/69/851277069.db2.gz DEZRILOKTDCKSD-UHFFFAOYSA-N -1 0 378.740 3.650 20 5 GHBDRM O=C([O-])C1CC2(C1)C[C@H](NC(=O)c1cc3ccccc3c3cccnc13)CCO2 ZINC000910616261 851287001 /nfs/dbraw/zinc/28/70/01/851287001.db2.gz SETRJCULPWBUCE-IOXSGPKDSA-N -1 0 390.439 3.530 20 5 GHBDRM O=C([O-])C[C@H](c1ccccc1)C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000604498335 862257243 /nfs/dbraw/zinc/25/72/43/862257243.db2.gz PLAMYOHMEZCYEE-GOSISDBHSA-N -1 0 382.416 3.706 20 5 GHBDRM Cc1ccc(CS(=O)(=O)[N-]c2ccc3cc([N+](=O)[O-])ccc3n2)cc1F ZINC000184204039 851729505 /nfs/dbraw/zinc/72/95/05/851729505.db2.gz IYEGWUDZEROLRV-UHFFFAOYSA-N -1 0 375.381 3.532 20 5 GHBDRM COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1OCc1cccnc1 ZINC000436673782 852173586 /nfs/dbraw/zinc/17/35/86/852173586.db2.gz MFISEZRNEXKNGI-UHFFFAOYSA-N -1 0 395.371 3.535 20 5 GHBDRM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Br)cc1F ZINC000436717849 852241769 /nfs/dbraw/zinc/24/17/69/852241769.db2.gz YCYQTLNTQAGLNO-QMMMGPOBSA-N -1 0 383.173 3.693 20 5 GHBDRM COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436822542 852393040 /nfs/dbraw/zinc/39/30/40/852393040.db2.gz VKVMVZBFJJKCPV-SNVBAGLBSA-N -1 0 380.784 3.620 20 5 GHBDRM O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436949498 852513980 /nfs/dbraw/zinc/51/39/80/852513980.db2.gz SFRUAOVZFRARIH-UHFFFAOYSA-N -1 0 393.403 3.538 20 5 GHBDRM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436967269 852538012 /nfs/dbraw/zinc/53/80/12/852538012.db2.gz QCTKQICQWMJKJD-CYBMUJFWSA-N -1 0 383.404 3.567 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000436956025 852546769 /nfs/dbraw/zinc/54/67/69/852546769.db2.gz KFADETWQDUHXQD-CYBMUJFWSA-N -1 0 376.796 3.637 20 5 GHBDRM Cc1cc(Sc2ncccn2)ccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436958753 852549753 /nfs/dbraw/zinc/54/97/53/852549753.db2.gz KDEFBJZPYASJHB-UHFFFAOYSA-N -1 0 382.401 3.802 20 5 GHBDRM CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436990984 852580460 /nfs/dbraw/zinc/58/04/60/852580460.db2.gz RVUUWVPVXJBGFV-UHFFFAOYSA-N -1 0 386.404 3.827 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1[N+](=O)[O-] ZINC000427115537 852744846 /nfs/dbraw/zinc/74/48/46/852744846.db2.gz BUTRSLVSUMSSTO-UHFFFAOYSA-N -1 0 394.302 3.742 20 5 GHBDRM CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c2ccccc21 ZINC000593858926 862424910 /nfs/dbraw/zinc/42/49/10/862424910.db2.gz DAEDKDCXTUSQLA-NVXWUHKLSA-N -1 0 398.415 3.601 20 5 GHBDRM O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000437475587 853178993 /nfs/dbraw/zinc/17/89/93/853178993.db2.gz UIYGJQGKKCPJQE-MQMHXKEQSA-N -1 0 380.322 3.995 20 5 GHBDRM Cc1cc([C@@H](NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])ccc1F ZINC000519803631 853498643 /nfs/dbraw/zinc/49/86/43/853498643.db2.gz QQQGFONFCOLPIQ-YVEFUNNKSA-N -1 0 389.383 3.537 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1c(Cl)cccc1Cl ZINC000519890717 853586809 /nfs/dbraw/zinc/58/68/09/853586809.db2.gz NILOGUTURIOQMS-UHFFFAOYSA-N -1 0 379.196 3.519 20 5 GHBDRM Cc1cc2sc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)nc2cc1F ZINC000481893484 862504532 /nfs/dbraw/zinc/50/45/32/862504532.db2.gz XHPUJIXGCBIDGO-UHFFFAOYSA-N -1 0 381.410 3.761 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2oc(C(C)C)nc2c1 ZINC000055586265 854014233 /nfs/dbraw/zinc/01/42/33/854014233.db2.gz YXPIGZUVULOQQO-UHFFFAOYSA-N -1 0 391.405 3.669 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000481971565 862564948 /nfs/dbraw/zinc/56/49/48/862564948.db2.gz TWSUYULLNQGBIF-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC2CCC2)c(F)c1 ZINC000481976048 862568906 /nfs/dbraw/zinc/56/89/06/862568906.db2.gz XLKLIKPBIRVBDC-UHFFFAOYSA-N -1 0 380.397 3.774 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)ccc1[N+](=O)[O-] ZINC000165234839 854787662 /nfs/dbraw/zinc/78/76/62/854787662.db2.gz WKOZYIFCIPXNOJ-UHFFFAOYSA-N -1 0 395.746 3.771 20 5 GHBDRM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])c2)oc1C ZINC000057119685 855225631 /nfs/dbraw/zinc/22/56/31/855225631.db2.gz KNXUYSKECMMIKQ-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM O=C([O-])C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000590846733 855611755 /nfs/dbraw/zinc/61/17/55/855611755.db2.gz ZOVLUVDFMPZFAH-CYBMUJFWSA-N -1 0 392.477 3.956 20 5 GHBDRM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000520586741 855723203 /nfs/dbraw/zinc/72/32/03/855723203.db2.gz JCUVLNKNVPSDKN-OAHLLOKOSA-N -1 0 389.839 3.695 20 5 GHBDRM CSc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1 ZINC000184784818 855891276 /nfs/dbraw/zinc/89/12/76/855891276.db2.gz DFMYLCFUEGNOJV-UHFFFAOYSA-N -1 0 375.431 3.666 20 5 GHBDRM CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2C1 ZINC000171345772 856097855 /nfs/dbraw/zinc/09/78/55/856097855.db2.gz FOBIIFLJRHNASQ-UHFFFAOYSA-N -1 0 375.450 3.511 20 5 GHBDRM COCc1cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc(C(=O)[O-])c1 ZINC000427712536 856652874 /nfs/dbraw/zinc/65/28/74/856652874.db2.gz DNAQZIWECGHOMP-NSHDSACASA-N -1 0 390.417 3.559 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ncc(-c3ccccn3)s2)c1[N+](=O)[O-] ZINC000508074874 856895480 /nfs/dbraw/zinc/89/54/80/856895480.db2.gz UBGXECRDIXSQDF-UHFFFAOYSA-N -1 0 390.446 3.531 20 5 GHBDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000485712217 856980957 /nfs/dbraw/zinc/98/09/57/856980957.db2.gz LMYYQYSPKNIIMN-UHFFFAOYSA-N -1 0 378.768 3.986 20 5 GHBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000592981181 857147891 /nfs/dbraw/zinc/14/78/91/857147891.db2.gz NDTNUYQAWKDSQN-INIZCTEOSA-N -1 0 399.447 3.896 20 5 GHBDRM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)c1 ZINC000485929983 857224765 /nfs/dbraw/zinc/22/47/65/857224765.db2.gz DQHVXMFZDBEUQH-UHFFFAOYSA-N -1 0 385.401 3.608 20 5 GHBDRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)n[nH]1 ZINC000184867675 857567052 /nfs/dbraw/zinc/56/70/52/857567052.db2.gz RHGABBDIICPRLT-LLVKDONJSA-N -1 0 389.437 3.571 20 5 GHBDRM CC(C)C[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000486285133 857618355 /nfs/dbraw/zinc/61/83/55/857618355.db2.gz RDEMFIPFXAWHKI-KRWDZBQOSA-N -1 0 399.447 3.684 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)cc(NCC(F)(F)F)c2)c1 ZINC000442246234 857651422 /nfs/dbraw/zinc/65/14/22/857651422.db2.gz ZNKUBNKRZFUVPI-UHFFFAOYSA-N -1 0 393.318 3.509 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(CC(F)(F)F)cc1 ZINC000157863853 857802656 /nfs/dbraw/zinc/80/26/56/857802656.db2.gz FSGDUKSKTZNWKK-UHFFFAOYSA-N -1 0 378.303 3.640 20 5 GHBDRM CC(C)n1nc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000114054368 857870840 /nfs/dbraw/zinc/87/08/40/857870840.db2.gz OJOYDIUNWSHYOU-UHFFFAOYSA-N -1 0 386.433 3.840 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ncc(Cc3cccc(F)c3)s2)c1 ZINC000521487723 858036400 /nfs/dbraw/zinc/03/64/00/858036400.db2.gz UOUOAGHONCBPPA-UHFFFAOYSA-N -1 0 393.421 3.582 20 5 GHBDRM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)cc2O1 ZINC000442833853 858171966 /nfs/dbraw/zinc/17/19/66/858171966.db2.gz IZIVSRMRLIZBJT-HNNXBMFYSA-N -1 0 384.435 3.663 20 5 GHBDRM Cc1ccnc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1C1CC1 ZINC000594729893 858267042 /nfs/dbraw/zinc/26/70/42/858267042.db2.gz ZNAKUIHMIIKTBK-UHFFFAOYSA-N -1 0 381.841 3.938 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000521772581 858298899 /nfs/dbraw/zinc/29/88/99/858298899.db2.gz JMBDYFCUANDOMR-OAHLLOKOSA-N -1 0 384.816 3.817 20 5 GHBDRM CCCCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1CCc2ncsc2C1 ZINC000592902313 858371677 /nfs/dbraw/zinc/37/16/77/858371677.db2.gz PLGGEHKGNOVFRL-GFCCVEGCSA-N -1 0 375.450 3.557 20 5 GHBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC000592953078 858440808 /nfs/dbraw/zinc/44/08/08/858440808.db2.gz PLIBGKKUUHGLBV-UHFFFAOYSA-N -1 0 386.429 3.604 20 5 GHBDRM CC(C)(C)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000595243461 858450031 /nfs/dbraw/zinc/45/00/31/858450031.db2.gz FKGDQDGBWBHDJU-ZOBUZTSGSA-N -1 0 388.464 3.998 20 5 GHBDRM CC(C)CCSc1ccc(C(=O)N[C@@](C)(CCF)C(=O)[O-])cc1[N+](=O)[O-] ZINC000595248516 858451664 /nfs/dbraw/zinc/45/16/64/858451664.db2.gz IFRLQLSCWNVDMP-KRWDZBQOSA-N -1 0 386.445 3.666 20 5 GHBDRM O=C([O-])CC[C@H]1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000595977410 858737227 /nfs/dbraw/zinc/73/72/27/858737227.db2.gz ZOWPUGURTGUXIL-OAHLLOKOSA-N -1 0 382.416 3.907 20 5 GHBDRM CO[C@H](c1ccc(Br)cc1)[C@@H](C)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596183554 858799460 /nfs/dbraw/zinc/79/94/60/858799460.db2.gz GFNUCMDEBHUWON-OTYXRUKQSA-N -1 0 382.214 3.646 20 5 GHBDRM C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160326914 858810739 /nfs/dbraw/zinc/81/07/39/858810739.db2.gz CPIDYZROUCMQMY-APPDUMDISA-N -1 0 376.796 3.556 20 5 GHBDRM O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000443562999 858965123 /nfs/dbraw/zinc/96/51/23/858965123.db2.gz XIWPXDCNDNZIKL-UHFFFAOYSA-N -1 0 398.312 3.920 20 5 GHBDRM O=C([O-])[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c2ccccc21 ZINC000593328004 859424132 /nfs/dbraw/zinc/42/41/32/859424132.db2.gz PEDBWBJBCSQCMK-AEFFLSMTSA-N -1 0 395.415 3.556 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000007052304 859441538 /nfs/dbraw/zinc/44/15/38/859441538.db2.gz FIKFGZCXEKCONH-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000611292121 859684256 /nfs/dbraw/zinc/68/42/56/859684256.db2.gz UFPXRPYIHZYVKI-VIFPVBQESA-N -1 0 390.248 3.645 20 5 GHBDRM O=[N+]([O-])c1ccc(CN=c2[n-]nc(Cc3cccc4ccccc43)o2)c(F)c1 ZINC000611491349 859778695 /nfs/dbraw/zinc/77/86/95/859778695.db2.gz QYCWMGLIILZXID-UHFFFAOYSA-N -1 0 378.363 3.895 20 5 GHBDRM O=C(Nc1cc(Cl)ccc1C(=O)[C@H]1CCCOC1)c1ccc([N+](=O)[O-])o1 ZINC000598454056 860319136 /nfs/dbraw/zinc/31/91/36/860319136.db2.gz UIKOMVMCLGBZAL-JTQLQIEISA-N -1 0 378.768 3.703 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c2ncccc12 ZINC000185623589 860797795 /nfs/dbraw/zinc/79/77/95/860797795.db2.gz PPGDCXQNORVARV-UHFFFAOYSA-N -1 0 396.384 3.599 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cl)c2cccnc12 ZINC000603624465 860924683 /nfs/dbraw/zinc/92/46/83/860924683.db2.gz FRAASZAWUUWJLV-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593739571 861122715 /nfs/dbraw/zinc/12/27/15/861122715.db2.gz BMWHKAWMIBNJHO-KZULUSFZSA-N -1 0 390.823 3.908 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2-c2cccs2)ccc1[O-] ZINC000025765976 863448767 /nfs/dbraw/zinc/44/87/67/863448767.db2.gz YSMUKQZOJMZPPJ-UHFFFAOYSA-N -1 0 376.415 3.830 20 5 GHBDRM COc1cccc(C(=O)c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cc2)c1 ZINC000444260028 863777613 /nfs/dbraw/zinc/77/76/13/863777613.db2.gz ZVDLNFBCBWBILW-UHFFFAOYSA-N -1 0 392.367 3.792 20 5 GHBDRM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3F)cc2)o1 ZINC000172884055 864056969 /nfs/dbraw/zinc/05/69/69/864056969.db2.gz GKSVKXXKZMVNRJ-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c1[N+](=O)[O-] ZINC000480229487 864303667 /nfs/dbraw/zinc/30/36/67/864303667.db2.gz PUKYDZXUHRMQRJ-UHFFFAOYSA-N -1 0 388.449 3.943 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc2cc(Cl)ccc2s1 ZINC000608927723 865832410 /nfs/dbraw/zinc/83/24/10/865832410.db2.gz JISSDYTXYIAMBG-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM CSCCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000609015586 865890577 /nfs/dbraw/zinc/89/05/77/865890577.db2.gz BAGHOFGZTTZKPT-UHFFFAOYSA-N -1 0 386.882 3.955 20 5 GHBDRM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000609027437 865904522 /nfs/dbraw/zinc/90/45/22/865904522.db2.gz OFHGGAFTBNOSCL-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM Cc1cccc(S(=O)(=O)[N-]c2ccc3cc([N+](=O)[O-])ccc3n2)c1Cl ZINC000183129234 866242819 /nfs/dbraw/zinc/24/28/19/866242819.db2.gz RBZBCPMHXROWHS-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](CC(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000741122062 866246318 /nfs/dbraw/zinc/24/63/18/866246318.db2.gz ZVUJBTNJCNGPEQ-QGZVFWFLSA-N -1 0 390.461 3.538 20 5 GHBDRM Cc1c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cnc(Cl)c1Br ZINC000760115629 866372921 /nfs/dbraw/zinc/37/29/21/866372921.db2.gz UFIWQCNRGQEQGN-UHFFFAOYSA-N -1 0 386.589 3.672 20 5 GHBDRM Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cnc(Cl)c1Br ZINC000760115017 866543622 /nfs/dbraw/zinc/54/36/22/866543622.db2.gz PKHMCHGGMUHZOQ-UHFFFAOYSA-N -1 0 386.589 3.672 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000456818479 867183328 /nfs/dbraw/zinc/18/33/28/867183328.db2.gz DDNWEBNFJRZBFN-UHFFFAOYSA-N -1 0 376.359 3.674 20 5 GHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000456831060 867220858 /nfs/dbraw/zinc/22/08/58/867220858.db2.gz SVUDLBMQMBZOCA-UHFFFAOYSA-N -1 0 376.359 3.674 20 5 GHBDRM CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000857175910 882086515 /nfs/dbraw/zinc/08/65/15/882086515.db2.gz HPQCXFWNYNLZDO-CYBMUJFWSA-N -1 0 393.440 3.666 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(Cc3coc(-c4ccc(F)cc4)n3)no2)cc1[O-] ZINC000445210446 867964384 /nfs/dbraw/zinc/96/43/84/867964384.db2.gz NCJKHOJGJQKDNA-UHFFFAOYSA-N -1 0 382.307 3.735 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(Br)c(F)c3)no2)cc1[O-] ZINC000445233527 867979890 /nfs/dbraw/zinc/97/98/90/867979890.db2.gz DDNQVIFXDQVXMT-UHFFFAOYSA-N -1 0 394.156 3.843 20 5 GHBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)ccc1F ZINC000793348726 882144335 /nfs/dbraw/zinc/14/43/35/882144335.db2.gz CNMKFAVOVLXSKV-UHFFFAOYSA-N -1 0 398.265 3.572 20 5 GHBDRM O=[N+]([O-])c1ccc(-c2nc(-c3cnc(Oc4ccccc4)cn3)no2)cc1[O-] ZINC000445254671 868030712 /nfs/dbraw/zinc/03/07/12/868030712.db2.gz AIYSPMWJRIOEPT-UHFFFAOYSA-N -1 0 377.316 3.600 20 5 GHBDRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000744002002 868523681 /nfs/dbraw/zinc/52/36/81/868523681.db2.gz STRSWLVIFUCBJC-LLVKDONJSA-N -1 0 376.862 3.660 20 5 GHBDRM CC(C)c1nc2ccccc2n1Cc1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000445659548 868811445 /nfs/dbraw/zinc/81/14/45/868811445.db2.gz GNZLZDMWUTUAAU-UHFFFAOYSA-N -1 0 379.376 3.872 20 5 GHBDRM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000462302166 869203123 /nfs/dbraw/zinc/20/31/23/869203123.db2.gz WCVRFALMRLUDOE-VIFPVBQESA-N -1 0 375.233 3.941 20 5 GHBDRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c2ncccc12 ZINC000462379109 869327137 /nfs/dbraw/zinc/32/71/37/869327137.db2.gz ILVUBNBCZMQDQN-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000539606997 869434834 /nfs/dbraw/zinc/43/48/34/869434834.db2.gz UKXVSCHXWLCPHC-UHFFFAOYSA-N -1 0 397.387 3.743 20 5 GHBDRM CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000539972397 870135037 /nfs/dbraw/zinc/13/50/37/870135037.db2.gz KREKQKRPRXHCTQ-UHFFFAOYSA-N -1 0 376.438 3.671 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)c2ncccc12 ZINC000446956383 870764816 /nfs/dbraw/zinc/76/48/16/870764816.db2.gz HNVURYWSWOIVSZ-UHFFFAOYSA-N -1 0 390.446 3.668 20 5 GHBDRM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c(C)c1 ZINC000446999371 870845758 /nfs/dbraw/zinc/84/57/58/870845758.db2.gz HQIINCQMDRYEGD-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM C[C@H](N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(N2CCCC2)c1 ZINC000447204387 871209334 /nfs/dbraw/zinc/20/93/34/871209334.db2.gz RWOHWRFYSQQAGF-AWEZNQCLSA-N -1 0 379.420 3.840 20 5 GHBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000540823564 872254864 /nfs/dbraw/zinc/25/48/64/872254864.db2.gz SGGRVTVCYKGEDN-UHFFFAOYSA-N -1 0 388.371 3.903 20 5 GHBDRM O=C(N=c1[n-]ncn1C1CC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000552325746 872445528 /nfs/dbraw/zinc/44/55/28/872445528.db2.gz CPIFOELUOUURGS-UHFFFAOYSA-N -1 0 399.794 3.641 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2oc(C)c(C)c2c1 ZINC000619468394 872662925 /nfs/dbraw/zinc/66/29/25/872662925.db2.gz ZFINCGGMQHGMHO-UHFFFAOYSA-N -1 0 376.390 3.767 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)cc1OC(C)(C)C ZINC000619468009 872664159 /nfs/dbraw/zinc/66/41/59/872664159.db2.gz RJWOBTAWYKHXET-UHFFFAOYSA-N -1 0 398.412 3.721 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc2c(cc(C)cc2C)s1 ZINC000619506838 872693418 /nfs/dbraw/zinc/69/34/18/872693418.db2.gz SSPOSFCVZSEDDF-UHFFFAOYSA-N -1 0 393.446 3.631 20 5 GHBDRM Cc1cc(C)c([N+](=O)[O-])c(Sc2n[n-]c(=NCCc3cccs3)s2)n1 ZINC000541007265 872695237 /nfs/dbraw/zinc/69/52/37/872695237.db2.gz MOMCWFCUHFNFEZ-UHFFFAOYSA-N -1 0 393.519 3.747 20 5 GHBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1NC(C)(C)C ZINC000619620489 872830167 /nfs/dbraw/zinc/83/01/67/872830167.db2.gz QXQIGXRBKQQGQV-UHFFFAOYSA-N -1 0 379.438 3.615 20 5 GHBDRM COc1c(Br)cccc1/C=C\c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000478358085 872894070 /nfs/dbraw/zinc/89/40/70/872894070.db2.gz IGZKRJJLGWQMPT-WAYWQWQTSA-N -1 0 379.166 3.630 20 5 GHBDRM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)cc1 ZINC000541309477 873337536 /nfs/dbraw/zinc/33/75/36/873337536.db2.gz GGXXOPFZYONVKE-AWEZNQCLSA-N -1 0 380.388 3.525 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000768736212 873543227 /nfs/dbraw/zinc/54/32/27/873543227.db2.gz UCAOWRUXWKPIAO-GFCCVEGCSA-N -1 0 380.322 3.949 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768865772 873629892 /nfs/dbraw/zinc/62/98/92/873629892.db2.gz NUEIBSLMZIRKMG-UHFFFAOYSA-N -1 0 385.785 3.574 20 5 GHBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000769874182 874346787 /nfs/dbraw/zinc/34/67/87/874346787.db2.gz YTGIPTAWUJYCCL-UHFFFAOYSA-N -1 0 383.788 3.978 20 5 GHBDRM CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770764986 874852791 /nfs/dbraw/zinc/85/27/91/874852791.db2.gz FDODPIXQGZSNMD-ZDUSSCGKSA-N -1 0 386.445 3.535 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)c(OC(C)C)c(F)c1 ZINC000542237736 875202379 /nfs/dbraw/zinc/20/23/79/875202379.db2.gz MYODRHBVGLQBAJ-UHFFFAOYSA-N -1 0 386.376 3.769 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000537651624 882934603 /nfs/dbraw/zinc/93/46/03/882934603.db2.gz LPEFPDDIDKPMJT-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c(Br)c1 ZINC000129920120 875733424 /nfs/dbraw/zinc/73/34/24/875733424.db2.gz SMNGJONJLWLPPV-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000776195168 875757937 /nfs/dbraw/zinc/75/79/37/875757937.db2.gz PLGFJIOBFRYKNB-UHFFFAOYSA-N -1 0 385.420 3.671 20 5 GHBDRM Cc1nc2ccc(Cl)cn2c1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000785550922 876103025 /nfs/dbraw/zinc/10/30/25/876103025.db2.gz TVPYEKHCQKXJPI-UHFFFAOYSA-N -1 0 394.840 3.622 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)s1 ZINC000107532339 876368370 /nfs/dbraw/zinc/36/83/70/876368370.db2.gz BVAYMSYBIIDNBC-UHFFFAOYSA-N -1 0 387.870 3.711 20 5 GHBDRM O=C([O-])CCc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000238032723 878882921 /nfs/dbraw/zinc/88/29/21/878882921.db2.gz SWUOPHZRLLKMIN-UHFFFAOYSA-N -1 0 393.193 3.627 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000180710974 879189915 /nfs/dbraw/zinc/18/99/15/879189915.db2.gz GQVVMCANYICKED-INIZCTEOSA-N -1 0 396.321 3.533 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1CN=c1nc(Cc2ccc(F)cc2F)[n-]s1 ZINC000461227167 879385907 /nfs/dbraw/zinc/38/59/07/879385907.db2.gz PYGMTUMRPSGDJP-UHFFFAOYSA-N -1 0 376.388 3.658 20 5 GHBDRM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1OCc1ccncc1 ZINC000031412677 879542835 /nfs/dbraw/zinc/54/28/35/879542835.db2.gz OLYQEVHGHQQXLJ-UHFFFAOYSA-N -1 0 395.371 3.535 20 5 GHBDRM CO[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cccc21 ZINC000790347844 879618186 /nfs/dbraw/zinc/61/81/86/879618186.db2.gz DPBIYAVDGUHJGY-HNNXBMFYSA-N -1 0 398.824 3.519 20 5 GHBDRM Cc1c2ccc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)cc2nn1C ZINC000461337049 879635161 /nfs/dbraw/zinc/63/51/61/879635161.db2.gz YVJOBJVMFLGIKX-UHFFFAOYSA-N -1 0 394.840 3.553 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)c1F ZINC000790461672 879719167 /nfs/dbraw/zinc/71/91/67/879719167.db2.gz VMVRXBSTKUEXCE-UHFFFAOYSA-N -1 0 390.371 3.876 20 5 GHBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000112662438 880065177 /nfs/dbraw/zinc/06/51/77/880065177.db2.gz QWYIXFGTTYVLJD-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC000174758453 880227097 /nfs/dbraw/zinc/22/70/97/880227097.db2.gz WRJCZBNTHVPNPI-UHFFFAOYSA-N -1 0 378.303 3.640 20 5 GHBDRM O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3F)sc2c1 ZINC000551038911 883136030 /nfs/dbraw/zinc/13/60/30/883136030.db2.gz HPRYWCBGAHBKEE-UHFFFAOYSA-N -1 0 387.801 3.798 20 5 GHBDRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000609769874 883627655 /nfs/dbraw/zinc/62/76/55/883627655.db2.gz YUMJEKDHHBBUSN-ROUUACIJSA-N -1 0 382.372 3.993 20 5 GHBDRM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(Cl)c([O-])cc1F ZINC000805254965 883719430 /nfs/dbraw/zinc/71/94/30/883719430.db2.gz HSDXZLQSMKXBIA-UHFFFAOYSA-N -1 0 383.719 3.572 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263108670 883876892 /nfs/dbraw/zinc/87/68/92/883876892.db2.gz VMQLBFCFJDBNJN-INIZCTEOSA-N -1 0 385.420 3.809 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c1F ZINC000760361221 884003038 /nfs/dbraw/zinc/00/30/38/884003038.db2.gz SLKKCEQUNUQYIL-UHFFFAOYSA-N -1 0 392.330 3.948 20 5 GHBDRM Cc1c(C(=O)N(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000237727977 884826519 /nfs/dbraw/zinc/82/65/19/884826519.db2.gz MCORCEULDXZLJM-UHFFFAOYSA-N -1 0 396.321 3.649 20 5 GHBDRM CCCCc1nnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)s1 ZINC000176589238 885388568 /nfs/dbraw/zinc/38/85/68/885388568.db2.gz CVCGEAQCRSNKCR-UHFFFAOYSA-N -1 0 390.874 3.552 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nnc(CC3CCCCC3)o2)c1C ZINC000194895753 885572050 /nfs/dbraw/zinc/57/20/50/885572050.db2.gz BWSCYKSTZIYDON-UHFFFAOYSA-N -1 0 394.453 3.518 20 5 GHBDRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000783861950 885590287 /nfs/dbraw/zinc/59/02/87/885590287.db2.gz AHCRHVVLFBAKKJ-UHFFFAOYSA-N -1 0 382.417 3.545 20 5 GHBDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1C1CC1 ZINC000762477606 886269124 /nfs/dbraw/zinc/26/91/24/886269124.db2.gz VPMCQNAXIOJVNB-JTQLQIEISA-N -1 0 382.417 3.580 20 5 GHBDRM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1 ZINC000193478825 886346710 /nfs/dbraw/zinc/34/67/10/886346710.db2.gz TXSGSLMKGNNGED-UHFFFAOYSA-N -1 0 396.222 3.639 20 5 GHBDRM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c1 ZINC000808544913 886499199 /nfs/dbraw/zinc/49/91/99/886499199.db2.gz YBNMLFNQSWNIMY-UHFFFAOYSA-N -1 0 398.265 3.572 20 5 GHBDRM CN(C(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000863471392 887137370 /nfs/dbraw/zinc/13/73/70/887137370.db2.gz SKKHRHXCLUCSMV-UHFFFAOYSA-N -1 0 387.392 3.924 20 5 GHBDRM CCSCc1ccnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000123719403 887416619 /nfs/dbraw/zinc/41/66/19/887416619.db2.gz PDGUTMKDJVCCLF-UHFFFAOYSA-N -1 0 387.870 3.697 20 5 GHBDRM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809830844 887852782 /nfs/dbraw/zinc/85/27/82/887852782.db2.gz GIGSVHDXOWYLHM-LURJTMIESA-N -1 0 395.186 3.911 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCCC(F)(F)F)c(Cl)cc1Cl ZINC000809822353 887876811 /nfs/dbraw/zinc/87/68/11/887876811.db2.gz IMBHHNLFVUAPKK-UHFFFAOYSA-N -1 0 381.159 3.522 20 5 GHBDRM Cc1ccc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000916127320 888754019 /nfs/dbraw/zinc/75/40/19/888754019.db2.gz MYDDOAKJCVACTB-AWNIVKPZSA-N -1 0 385.763 3.575 20 5 GHBDRM O=C([N-]C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1)C(F)(F)F ZINC000811855718 890048640 /nfs/dbraw/zinc/04/86/40/890048640.db2.gz CHQDFZJGHFGDEE-VIFPVBQESA-N -1 0 399.291 3.509 20 5 GHBDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000262635119 891560522 /nfs/dbraw/zinc/56/05/22/891560522.db2.gz PAGOKHLWTIVMKX-UHFFFAOYSA-N -1 0 387.392 3.521 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2N2CCCC2)cc1C ZINC000497564439 891874627 /nfs/dbraw/zinc/87/46/27/891874627.db2.gz OBBJYQHWXKWRRZ-UHFFFAOYSA-N -1 0 375.450 3.613 20 5 GHBDRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000814020485 892165318 /nfs/dbraw/zinc/16/53/18/892165318.db2.gz LENQRMUTWMWBPQ-KAUXGEHWSA-N -1 0 388.445 3.595 20 5 GHBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000263044611 892412611 /nfs/dbraw/zinc/41/26/11/892412611.db2.gz DXXPKRYFJWTOHH-AWEZNQCLSA-N -1 0 388.445 3.523 20 5 GHBDRM Cc1sc([C@@H]2CCCN2c2ccc3ncccc3c2[N+](=O)[O-])nc1C(=O)[O-] ZINC000563214271 893487701 /nfs/dbraw/zinc/48/77/01/893487701.db2.gz TZNFCPMLFCKOGS-AWEZNQCLSA-N -1 0 384.417 3.948 20 5 GHBDRM CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000918400735 893662014 /nfs/dbraw/zinc/66/20/14/893662014.db2.gz ZBROPBMHCRPHLO-UHFFFAOYSA-N -1 0 398.412 3.722 20 5 GHBDRM Cc1ccc([C@@H](NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])cc1C ZINC000564155531 894659007 /nfs/dbraw/zinc/65/90/07/894659007.db2.gz LJJSCRMCRGNQPS-RDTXWAMCSA-N -1 0 385.420 3.706 20 5 GHBDRM CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(SC)cc2)cc1[N+](=O)[O-] ZINC000537401557 894919178 /nfs/dbraw/zinc/91/91/78/894919178.db2.gz VYABJLOOFLEKRL-INIZCTEOSA-N -1 0 388.445 3.825 20 5 GHBDRM O=C(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000816791894 895076587 /nfs/dbraw/zinc/07/65/87/895076587.db2.gz KARAVPSJZCLESV-QUCCMNQESA-N -1 0 378.384 3.505 20 5 GHBDRM COc1cc(CSc2cccc(Cl)c2-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000826180124 895812976 /nfs/dbraw/zinc/81/29/76/895812976.db2.gz SSASJIJULPNEFE-UHFFFAOYSA-N -1 0 377.813 3.729 20 5 GHBDRM C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000566235118 896193586 /nfs/dbraw/zinc/19/35/86/896193586.db2.gz QLKIKDGMQDOEHN-GUYCJALGSA-N -1 0 384.388 3.570 20 5 GHBDRM CCOC(=O)C1CCC(N(CC)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000566282430 896215228 /nfs/dbraw/zinc/21/52/28/896215228.db2.gz GDODRNFNUSUVCK-UHFFFAOYSA-N -1 0 398.843 3.538 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3nccnc3c2)c1Cl ZINC000821158153 897768979 /nfs/dbraw/zinc/76/89/79/897768979.db2.gz WDYBLUCPRVTMKW-UHFFFAOYSA-N -1 0 399.215 3.646 20 5 GHBDRM Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001136465336 897974164 /nfs/dbraw/zinc/97/41/64/897974164.db2.gz LAQDOUQHYIJMQE-UHFFFAOYSA-N -1 0 388.380 3.577 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)Cc3cccc(Cl)c3)n[nH]2)c1 ZINC000568678618 898029552 /nfs/dbraw/zinc/02/95/52/898029552.db2.gz RVKDWOVEVMHYLE-UHFFFAOYSA-N -1 0 392.824 3.580 20 5 GHBDRM Cc1ccc([C@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1[N+](=O)[O-] ZINC001137044652 900200178 /nfs/dbraw/zinc/20/01/78/900200178.db2.gz IWENLFDZQRZENV-VIFPVBQESA-N -1 0 379.756 3.661 20 5 GHBDRM O=C([O-])c1cc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000844207941 900600597 /nfs/dbraw/zinc/60/05/97/900600597.db2.gz FDGXVCHEOZGSTC-SFHVURJKSA-N -1 0 390.823 3.896 20 5 GHBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(c3cc4ccccc4[nH]3)CC2)n1 ZINC000844207262 900602312 /nfs/dbraw/zinc/60/23/12/900602312.db2.gz FDVIBPYGKFHILF-UHFFFAOYSA-N -1 0 380.404 3.862 20 5 GHBDRM Cc1ccc(C)c([C@H]2CN(c3nc(C)cc(C(=O)[O-])c3[N+](=O)[O-])[C@H](C)CO2)c1 ZINC000576520343 902074154 /nfs/dbraw/zinc/07/41/54/902074154.db2.gz LVECSOXNNGJZJW-RHSMWYFYSA-N -1 0 385.420 3.580 20 5 GHBDRM O=C([O-])c1cnc(N2CCC(c3c[nH]c4cc(F)ccc43)CC2)c([N+](=O)[O-])c1 ZINC000576758521 902240621 /nfs/dbraw/zinc/24/06/21/902240621.db2.gz VHDHGORMBYHAMR-UHFFFAOYSA-N -1 0 384.367 3.692 20 5 GHBDRM CC(C)Sc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000600879858 903039341 /nfs/dbraw/zinc/03/93/41/903039341.db2.gz XJODLQQKIKAUFE-IBGZPJMESA-N -1 0 388.445 3.825 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCc2ccccn2)c1 ZINC000036760523 904519030 /nfs/dbraw/zinc/51/90/30/904519030.db2.gz UMMXVDFOOMAKLJ-UHFFFAOYSA-N -1 0 399.428 3.678 20 5 GHBDRM O=[N+]([O-])/C=C/c1ccc(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)cc1 ZINC001175902957 907820335 /nfs/dbraw/zinc/82/03/35/907820335.db2.gz YKIMKFZQGFZPLL-MDZDMXLPSA-N -1 0 386.385 3.783 20 5 GHBDRM O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779656122 908067333 /nfs/dbraw/zinc/06/73/33/908067333.db2.gz PLKVLMNYFWKVOF-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001176415657 908107844 /nfs/dbraw/zinc/10/78/44/908107844.db2.gz KDYUPUGLTKRART-CYBMUJFWSA-N -1 0 376.359 3.987 20 5 GHBDRM COCCn1nc(-c2ccccc2)cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176677854 908206026 /nfs/dbraw/zinc/20/60/26/908206026.db2.gz DTVRZLVBVOEVNW-UHFFFAOYSA-N -1 0 382.376 3.547 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000795315721 909831826 /nfs/dbraw/zinc/83/18/26/909831826.db2.gz YEQWOPAWSWAVJL-UHFFFAOYSA-N -1 0 384.694 3.605 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c([C@@H](C)O)c2)cc1[N+](=O)[O-] ZINC000795378993 910107802 /nfs/dbraw/zinc/10/78/02/910107802.db2.gz GAEDXKPBJPAYBG-SECBINFHSA-N -1 0 388.804 3.550 20 5 GHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)c1F ZINC000795389644 910155554 /nfs/dbraw/zinc/15/55/54/910155554.db2.gz XOPOURSKZWETEC-UHFFFAOYSA-N -1 0 393.421 3.967 20 5 GHBDRM O=[N+]([O-])c1cnc2ccccc2c1N1CCN(Cc2ccc(O)c(Cl)c2)CC1 ZINC001187371993 915200751 /nfs/dbraw/zinc/20/07/51/915200751.db2.gz YTTGADGWELTELG-UHFFFAOYSA-N -1 0 398.850 3.824 20 5 GHBDRM C=Cc1ccc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 ZINC001190587587 917432388 /nfs/dbraw/zinc/43/23/88/917432388.db2.gz LZZVRLNMYOBOAY-UHFFFAOYSA-N -1 0 384.816 3.551 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2N2CCCCC2)cs1 ZINC000119698374 919647595 /nfs/dbraw/zinc/64/75/95/919647595.db2.gz BCGUYSGBENCLQG-UHFFFAOYSA-N -1 0 385.442 3.587 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000007708078 919821116 /nfs/dbraw/zinc/82/11/16/919821116.db2.gz MAZSPOODLPRVEY-UHFFFAOYSA-N -1 0 390.389 3.719 20 5 GHBDRM CC(C)CCCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000749023392 923982646 /nfs/dbraw/zinc/98/26/46/923982646.db2.gz SWNVMUZYEVUYBG-UHFFFAOYSA-N -1 0 376.862 3.660 20 5 GHBDRM CCOc1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000410350962 925564123 /nfs/dbraw/zinc/56/41/23/925564123.db2.gz GEGNJFZSCNHXRO-UHFFFAOYSA-N -1 0 390.339 3.813 20 5 GHBDRM Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC000751538402 928238476 /nfs/dbraw/zinc/23/84/76/928238476.db2.gz ISBJVSVWHDYWCF-UHFFFAOYSA-N -1 0 395.746 3.650 20 5 GHBDRM O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)NCc1cccc([N+](=O)[O-])c1 ZINC000544638621 929375868 /nfs/dbraw/zinc/37/58/68/929375868.db2.gz GYRFBIRHMKWMCO-UHFFFAOYSA-N -1 0 389.824 3.510 20 5 GHBDRM CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000753527828 929390649 /nfs/dbraw/zinc/39/06/49/929390649.db2.gz VUEVLHROQQRXTA-HAQNSBGRSA-N -1 0 388.873 3.516 20 5 GHBDRM CCc1ccc(S(=O)(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)s1 ZINC000757922156 929855682 /nfs/dbraw/zinc/85/56/82/929855682.db2.gz YVCRJWIJRPDSCZ-UHFFFAOYSA-N -1 0 391.268 3.782 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)c1 ZINC000758151414 929948445 /nfs/dbraw/zinc/94/84/45/929948445.db2.gz KHJNPVLNUNCBCG-UHFFFAOYSA-N -1 0 378.454 3.714 20 5 GHBDRM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000758471240 930055886 /nfs/dbraw/zinc/05/58/86/930055886.db2.gz NDASNXYOWKGDRF-KRWDZBQOSA-N -1 0 399.831 3.539 20 5 GHBDRM Cc1sc(CCNC(=O)c2cc([O-])ccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000469715082 930104680 /nfs/dbraw/zinc/10/46/80/930104680.db2.gz JPQPENIEJVLVKW-UHFFFAOYSA-N -1 0 383.429 3.705 20 5 GHBDRM COc1cc(S(=O)(=O)[N-]c2ccc(COC(C)(C)C)cc2)ccc1[N+](=O)[O-] ZINC000759168262 930297782 /nfs/dbraw/zinc/29/77/82/930297782.db2.gz OJVDAYNTXPPABW-UHFFFAOYSA-N -1 0 394.449 3.719 20 5 GHBDRM O=C(Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1)c1cccs1 ZINC000781071496 930692339 /nfs/dbraw/zinc/69/23/39/930692339.db2.gz UIWJWRYBZMFHDD-UHFFFAOYSA-N -1 0 384.369 3.833 20 5 GHBDRM COc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c2ncccc12 ZINC000547436228 931017010 /nfs/dbraw/zinc/01/70/10/931017010.db2.gz XOCXVSSBDYSJHJ-UHFFFAOYSA-N -1 0 387.417 3.569 20 5 GHBDRM CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc1F ZINC000783856252 931693968 /nfs/dbraw/zinc/69/39/68/931693968.db2.gz UVZQJONRDUXMLF-UHFFFAOYSA-N -1 0 390.339 3.600 20 5 GHBDRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000784515236 931920912 /nfs/dbraw/zinc/92/09/12/931920912.db2.gz FUDLGUVLDXMWDY-CYBMUJFWSA-N -1 0 376.434 3.539 20 5 GHBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000784583604 931948764 /nfs/dbraw/zinc/94/87/64/931948764.db2.gz OZXBRYQFQONWEC-YPKPFQOOSA-N -1 0 396.424 3.656 20 5 GHBDRM CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000784812430 932008306 /nfs/dbraw/zinc/00/83/06/932008306.db2.gz ICUFENGKXMXZNF-LLVKDONJSA-N -1 0 376.862 3.660 20 5 GHBDRM CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1F ZINC000798246934 932575506 /nfs/dbraw/zinc/57/55/06/932575506.db2.gz JNXWKSAPDPJGGV-UHFFFAOYSA-N -1 0 392.767 3.726 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c2cccnc21 ZINC000559961663 932981750 /nfs/dbraw/zinc/98/17/50/932981750.db2.gz FIQXPTNFOJUNPC-UHFFFAOYSA-N -1 0 381.772 3.736 20 5 GHBDRM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])cc2)n1 ZINC000559992541 933002962 /nfs/dbraw/zinc/00/29/62/933002962.db2.gz CRXFROGZDJNJPZ-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM CC[C@@H](C)NC(=O)c1ccc(NCc2cc(OC)c([O-])c([N+](=O)[O-])c2)c(C)c1 ZINC000559998845 933007584 /nfs/dbraw/zinc/00/75/84/933007584.db2.gz FYJMZOKNMMAVTN-CYBMUJFWSA-N -1 0 387.436 3.758 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)n(-c2ccc(C)cc2)n1 ZINC001115965258 933261799 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DVBQTOKPEAOJRC-UHFFFAOYSA-N -1 0 392.795 3.915 20 5 GHBDRM CC(C)Oc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c(C(=O)[O-])c1 ZINC001591786543 975956591 /nfs/dbraw/zinc/95/65/91/975956591.db2.gz GXQWRYSNDDZKSV-UHFFFAOYSA-N -1 0 397.387 3.674 20 5 GHBDRM CC(C)c1sc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)nc1C(=O)[O-] ZINC001592108235 976892934 /nfs/dbraw/zinc/89/29/34/976892934.db2.gz NJWWAYPUVHSWEQ-UHFFFAOYSA-N -1 0 395.412 3.928 20 5 GHBDRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000832848235 979050119 /nfs/dbraw/zinc/05/01/19/979050119.db2.gz VZOPJKVXDWBKGH-UHFFFAOYSA-N -1 0 385.195 3.678 20 5 GHBDRM C[C@H](CNC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC001592683369 979112027 /nfs/dbraw/zinc/11/20/27/979112027.db2.gz YLIYASDIWFIENB-LLVKDONJSA-N -1 0 382.376 3.700 20 5 GHBDRM COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1C(=O)[O-] ZINC000836744293 979251742 /nfs/dbraw/zinc/25/17/42/979251742.db2.gz OEDLHXHRDPYAFN-UHFFFAOYSA-N -1 0 399.403 3.544 20 5 GHBDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 ZINC000840943723 979281996 /nfs/dbraw/zinc/28/19/96/979281996.db2.gz JOSLNENRKPFEDU-CYBMUJFWSA-N -1 0 383.404 3.635 20 5 GHBDRM C[C@H](CSc1ccc(F)cc1)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001592830411 979555018 /nfs/dbraw/zinc/55/50/18/979555018.db2.gz ROVOODSWXJZJLH-SNVBAGLBSA-N -1 0 379.365 3.766 20 5 GHBDRM CCC1=C(C(=O)[O-])[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1Cc1ccccc1 ZINC001595398544 980970030 /nfs/dbraw/zinc/97/00/30/980970030.db2.gz HMDAFGZADOMJCA-SFHVURJKSA-N -1 0 381.388 3.610 20 5 GHBDRM CCCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC001595885796 982909586 /nfs/dbraw/zinc/90/95/86/982909586.db2.gz HBDZNSULQSTWOZ-AWEZNQCLSA-N -1 0 385.420 3.532 20 5 GHBDRM CCN(C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)[C@@H](C)c1cccc(O)c1 ZINC001596151055 983511382 /nfs/dbraw/zinc/51/13/82/983511382.db2.gz RQICGEJSJBYSRE-LBPRGKRZSA-N -1 0 387.392 3.922 20 5 GHBDRM CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001596371713 983872269 /nfs/dbraw/zinc/87/22/69/983872269.db2.gz ZFGQIUQMMALBTO-UHFFFAOYSA-N -1 0 388.445 3.824 20 5 GHBDRM CC(=O)c1ccc(OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c(Br)c1 ZINC001589297236 986038037 /nfs/dbraw/zinc/03/80/37/986038037.db2.gz DWNLNAFQIISJML-UHFFFAOYSA-N -1 0 394.177 3.837 20 5 GHBDRM C[C@H]1CN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])CC(C)(C)O1 ZINC001594567309 986359120 /nfs/dbraw/zinc/35/91/20/986359120.db2.gz DTJVKAMZISWTCV-ZDUSSCGKSA-N -1 0 398.415 3.528 20 5 GHBDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC001594570703 986395941 /nfs/dbraw/zinc/39/59/41/986395941.db2.gz XWHSWOLHKPMWLR-CQSZACIVSA-N -1 0 392.415 3.556 20 5 GHBDRM CCOc1ccc(C2=CCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)cc1 ZINC001597081178 986622546 /nfs/dbraw/zinc/62/25/46/986622546.db2.gz CBKYVSNMBLQHSZ-UHFFFAOYSA-N -1 0 382.416 3.981 20 5 GHBDRM CCC(=O)Nc1cccc(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC001594715292 987184418 /nfs/dbraw/zinc/18/44/18/987184418.db2.gz FXUJTZUJQAVEAF-UHFFFAOYSA-N -1 0 377.784 3.907 20 5 GHBDRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC001589531546 987204675 /nfs/dbraw/zinc/20/46/75/987204675.db2.gz HANPAQFDXDWMIJ-VIFPVBQESA-N -1 0 393.193 3.798 20 5 GHBDRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC001589533157 987223268 /nfs/dbraw/zinc/22/32/68/987223268.db2.gz YGQGWHWQVFQMGY-VIFPVBQESA-N -1 0 393.193 3.798 20 5 GHBDRM CCS[C@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001597258927 987274865 /nfs/dbraw/zinc/27/48/65/987274865.db2.gz ZIVJPBQQZBEMCO-HIFRSBDPSA-N -1 0 398.506 3.566 20 5 GHBDRM CC(C)(C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)c1ccccc1[N+](=O)[O-] ZINC001589569976 987337294 /nfs/dbraw/zinc/33/72/94/987337294.db2.gz CJDRTEKGANMKEP-INIZCTEOSA-N -1 0 396.443 3.807 20 5 GHBDRM CC(C)(C(=O)OCc1cc(C(=O)[O-])ccc1F)c1ccc([N+](=O)[O-])cc1F ZINC001589681211 987710419 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JYQHYQNLBSWZRQ-UHFFFAOYSA-N -1 0 377.422 3.618 20 5 GHBDRM CN(C)c1ccc(OC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)cc1C(=O)[O-] ZINC001598328901 991357594 /nfs/dbraw/zinc/35/75/94/991357594.db2.gz FUNOHDSZMYTHJK-UHFFFAOYSA-N -1 0 392.795 3.551 20 5 GHBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC001598502382 992451079 /nfs/dbraw/zinc/45/10/79/992451079.db2.gz WLQKUXFIZBFAGK-UHFFFAOYSA-N -1 0 389.433 3.938 20 5 GHBDRM CN(Cc1cc(-c2ccccc2)n[nH]1)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001598504778 992486947 /nfs/dbraw/zinc/48/69/47/992486947.db2.gz JJHCXINAGAZAFM-UHFFFAOYSA-N -1 0 386.795 3.973 20 5 GHBDRM CN(Cc1ccc(OCC(=O)[O-])cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001598523834 992693333 /nfs/dbraw/zinc/69/33/33/992693333.db2.gz GWOVDYHOQXSHMH-UHFFFAOYSA-N -1 0 384.310 3.713 20 5 GHBDRM COc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c(C(=O)[O-])c1 ZINC001599596217 993752166 /nfs/dbraw/zinc/75/21/66/993752166.db2.gz GTAUTYYPQUJKLT-UHFFFAOYSA-N -1 0 388.379 3.640 20 5 GHBDRM C[C@@](NC(=O)c1cc2ccccc2c(Cl)n1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593154298 993961285 /nfs/dbraw/zinc/96/12/85/993961285.db2.gz BJQQHQPKGUETTK-IBGZPJMESA-N -1 0 399.790 3.526 20 5 GHBDRM C[C@](NC(=O)c1csc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593188452 994100095 /nfs/dbraw/zinc/10/00/95/994100095.db2.gz CENQXMKJOUCBSZ-CQSZACIVSA-N -1 0 389.216 3.693 20 5 GHBDRM COc1ccc2c(c1)OCC[C@@H]2Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001599629421 994194867 /nfs/dbraw/zinc/19/48/67/994194867.db2.gz CCAPGIGIMXUEDA-NSHDSACASA-N -1 0 378.768 3.891 20 5 GHBDRM C[C@H](NCc1cc(C(=O)[O-])ccc1Br)c1cccc([N+](=O)[O-])c1 ZINC001593289354 994661957 /nfs/dbraw/zinc/66/19/57/994661957.db2.gz QYDDKUTYYNLYBR-JTQLQIEISA-N -1 0 379.210 3.906 20 5 GHBDRM COc1cccc(C=C2CCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)c1 ZINC001599663782 994697167 /nfs/dbraw/zinc/69/71/67/994697167.db2.gz DXTUDMHLLXEEPM-UHFFFAOYSA-N -1 0 382.416 3.981 20 5 GHBDRM C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593365775 995043736 /nfs/dbraw/zinc/04/37/36/995043736.db2.gz JHHCSMJJXAVCHO-SMDDNHRTSA-N -1 0 380.347 3.940 20 5 GHBDRM C[C@H](OC(=O)c1c(Br)cccc1[N+](=O)[O-])c1cc(C(=O)[O-])co1 ZINC001593563497 995652162 /nfs/dbraw/zinc/65/21/62/995652162.db2.gz LZTGFYLUSVAZFS-ZETCQYMHSA-N -1 0 384.138 3.567 20 5 GHBDRM C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-])c1cscn1 ZINC001593565361 995659323 /nfs/dbraw/zinc/65/93/23/995659323.db2.gz PQVUKICNPXWVLI-SECBINFHSA-N -1 0 382.419 3.536 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001593667604 996058971 /nfs/dbraw/zinc/05/89/71/996058971.db2.gz RKQVJMRYIQVEPM-WBMJQRKESA-N -1 0 380.466 3.615 20 5 GHBDRM C[C@H](Sc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)C(=O)[O-] ZINC001593673924 996087758 /nfs/dbraw/zinc/08/77/58/996087758.db2.gz TZZFPWUYSVNKTP-JTQLQIEISA-N -1 0 379.365 3.656 20 5 GHBDRM 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O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OCc4ccccc4)cn3)no2)c([O-])c1 ZINC001216563546 1029688009 /nfs/dbraw/zinc/68/80/09/1029688009.db2.gz FUNDZMWSODWNEU-UHFFFAOYSA-N -1 0 390.355 3.991 20 5 GHBDRM COc1ccc(-c2noc(-c3cc([O-])ccc3[N+](=O)[O-])n2)c(Cl)c1OC ZINC001216678583 1029728411 /nfs/dbraw/zinc/72/84/11/1029728411.db2.gz MLWKHQGOVJYDKH-UHFFFAOYSA-N -1 0 377.740 3.688 20 5 GHBDRM COc1cc(-c2nc(-c3ccc(F)c(Cl)c3F)no2)cc([N+](=O)[O-])c1[O-] ZINC001216837529 1029955607 /nfs/dbraw/zinc/95/56/07/1029955607.db2.gz ZGRVHHRURSAMIM-UHFFFAOYSA-N -1 0 383.694 3.958 20 5 GHBDRM CCOc1ccc(-c2noc(-c3cc([O-])c(F)cc3[N+](=O)[O-])n2)c(F)c1F ZINC001216951143 1030024016 /nfs/dbraw/zinc/02/40/16/1030024016.db2.gz OGENPTHMZSXQKY-UHFFFAOYSA-N -1 0 381.266 3.833 20 5 GHBDRM COc1cc(Cl)c(-c2noc(-c3cc([N+](=O)[O-])c([O-])cc3C)n2)cc1OC ZINC001217097372 1030159556 /nfs/dbraw/zinc/15/95/56/1030159556.db2.gz TVNBDTQPSRSXTH-UHFFFAOYSA-N -1 0 391.767 3.996 20 5 GHBDRM COc1ccc(Cl)c(-c2noc(-c3c[n-]c4ccc([N+](=O)[O-])cc4c3=O)n2)c1 ZINC001217438556 1030392118 /nfs/dbraw/zinc/39/21/18/1030392118.db2.gz OJFGTBWQPBKDOM-UHFFFAOYSA-N -1 0 398.762 3.815 20 5 GHBDRM O=c1c(-c2nc(-c3cccc(Cl)c3F)no2)c[n-]c2ccc([N+](=O)[O-])cc12 ZINC001217438549 1030392521 /nfs/dbraw/zinc/39/25/21/1030392521.db2.gz OHINOTUCGUHQIB-UHFFFAOYSA-N -1 0 386.726 3.946 20 5 GHBDRM O=c1c(-c2nc(-c3ccc4ccccc4n3)no2)c[n-]c2ccc([N+](=O)[O-])cc21 ZINC001217438919 1030393123 /nfs/dbraw/zinc/39/31/23/1030393123.db2.gz QRUILIKAILNDQH-UHFFFAOYSA-N -1 0 385.339 3.702 20 5 GHBDRM COc1ccc(Cl)c(-c2noc(-c3cc(=O)c4cc([N+](=O)[O-])ccc4[n-]3)n2)c1 ZINC001217511891 1030454671 /nfs/dbraw/zinc/45/46/71/1030454671.db2.gz JNIJOQNHQALSCH-UHFFFAOYSA-N -1 0 398.762 3.815 20 5 GHBDRM CC(C)(C)OC(=O)N1CCC2(CC(Oc3cccc([O-])c3[N+](=O)[O-])C2)CC1 ZINC001225622390 1031514910 /nfs/dbraw/zinc/51/49/10/1031514910.db2.gz HFLVXYWUNOPUHR-UHFFFAOYSA-N -1 0 378.425 3.859 20 5 GHBDRM 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O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1c([O-])cnc2ccc(Cl)cc21 ZINC001161108307 1035144650 /nfs/dbraw/zinc/14/46/50/1035144650.db2.gz NGUBGONRGCMABU-UHFFFAOYSA-N -1 0 383.751 3.631 20 5 GHBDRM Cc1cc2cc3ccc(N(C)C)cc3nc2cc1[N-]S(=O)(=O)c1ccccn1 ZINC001259289302 1045059709 /nfs/dbraw/zinc/05/97/09/1045059709.db2.gz GKXRTHUXOKZUIY-UHFFFAOYSA-N -1 0 392.484 3.958 20 5 GHBDRM COc1c(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])oc2ccccc21 ZINC001296650956 1045350961 /nfs/dbraw/zinc/35/09/61/1045350961.db2.gz XKOBZQUYRUZTEW-UHFFFAOYSA-N -1 0 376.752 3.639 20 5 GHBDRM O=C(Nc1nc2c(cccc2Br)s1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001297563509 1045572122 /nfs/dbraw/zinc/57/21/22/1045572122.db2.gz UGEZPODPQSWDIY-UHFFFAOYSA-N -1 0 394.206 3.925 20 5 GHBDRM O=C(Nc1ncc(-c2ccccn2)s1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001297677792 1045602367 /nfs/dbraw/zinc/60/23/67/1045602367.db2.gz KKWOLVLPCLAVRE-UHFFFAOYSA-N -1 0 376.781 3.725 20 5 GHBDRM O=C(N[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001299834815 1046061936 /nfs/dbraw/zinc/06/19/36/1046061936.db2.gz SNEPSRCXMHRMPF-HNNXBMFYSA-N -1 0 397.284 3.954 20 5 GHBDRM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001320257897 1055727072 /nfs/dbraw/zinc/72/70/72/1055727072.db2.gz IEGRCPONPUAFOT-UHFFFAOYSA-N -1 0 376.221 3.714 20 5 GHBDRM Cc1cc(Cl)c(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cc1[N+](=O)[O-] ZINC001355087170 1057046155 /nfs/dbraw/zinc/04/61/55/1057046155.db2.gz VVJLFGVXCCLDAQ-UHFFFAOYSA-N -1 0 392.824 3.539 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001325951244 1057387411 /nfs/dbraw/zinc/38/74/11/1057387411.db2.gz KMESDMGKSWKWPR-UHFFFAOYSA-N -1 0 376.221 3.660 20 5 GHBDRM COc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])sc2C)cc1 ZINC001440659637 1058564286 /nfs/dbraw/zinc/56/42/86/1058564286.db2.gz QXISXBUQRGMYHF-UHFFFAOYSA-N -1 0 385.401 3.993 20 5 GHBDRM COc1cc(C)c([C@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1OC ZINC001443864774 1059220002 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C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000610846207 844670582 /nfs/dbraw/zinc/67/05/82/844670582.db2.gz QZEVBBORYQPGBW-JTQLQIEISA-N -1 0 378.768 3.586 20 5 GHBDRM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])cc2)n1 ZINC000603974347 861521778 /nfs/dbraw/zinc/52/17/78/861521778.db2.gz PNWFNXDXEHWFGI-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000472008544 845360719 /nfs/dbraw/zinc/36/07/19/845360719.db2.gz JFYVUMVCEHVMGC-UHFFFAOYSA-N -1 0 394.387 3.563 20 5 GHBDRM CC(C)c1ccc(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000263146137 845891201 /nfs/dbraw/zinc/89/12/01/845891201.db2.gz UMOBWTIZCFURJY-CYBMUJFWSA-N -1 0 386.404 3.673 20 5 GHBDRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC000263553077 846306829 /nfs/dbraw/zinc/30/68/29/846306829.db2.gz MGMRLSZLWQJRQD-LBPRGKRZSA-N -1 0 386.429 3.824 20 5 GHBDRM 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397.200 3.517 20 5 GHBDRM O=C(NCCCCc1nc(-c2cccnc2)cs1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436772276 852306429 /nfs/dbraw/zinc/30/64/29/852306429.db2.gz KRJFXIKVWAANRW-UHFFFAOYSA-N -1 0 398.444 3.572 20 5 GHBDRM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436819665 852389315 /nfs/dbraw/zinc/38/93/15/852389315.db2.gz ISQNOCAPAOFZHY-JTQLQIEISA-N -1 0 380.784 3.620 20 5 GHBDRM CCCCOc1ccc([C@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1OC ZINC000436951908 852541680 /nfs/dbraw/zinc/54/16/80/852541680.db2.gz HBTWETRQVJCPSA-ZDUSSCGKSA-N -1 0 388.420 3.979 20 5 GHBDRM O=C(N[C@H](COCc1ccccc1)c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436973757 852558534 /nfs/dbraw/zinc/55/85/34/852558534.db2.gz YMTQNTIEQCHRGH-LJQANCHMSA-N -1 0 392.411 3.988 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cccc(Oc2ccccn2)c1 ZINC000438714291 852763079 /nfs/dbraw/zinc/76/30/79/852763079.db2.gz HVRBZXGRCCACCV-UHFFFAOYSA-N -1 0 389.364 3.722 20 5 GHBDRM CCCCCc1nnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)s1 ZINC000437173928 852816387 /nfs/dbraw/zinc/81/63/87/852816387.db2.gz ZGUPEDHCWPBKJW-UHFFFAOYSA-N -1 0 384.483 3.597 20 5 GHBDRM CCSc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000507483910 852965271 /nfs/dbraw/zinc/96/52/71/852965271.db2.gz ILEGKAJYKAQPLG-LLVKDONJSA-N -1 0 384.454 3.885 20 5 GHBDRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518370931 853269041 /nfs/dbraw/zinc/26/90/41/853269041.db2.gz RONYFOUGTBRFKM-UHFFFAOYSA-N -1 0 378.772 3.580 20 5 GHBDRM Cc1nc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2s1 ZINC000131239047 862447787 /nfs/dbraw/zinc/44/77/87/862447787.db2.gz QGMFQUCHJSVPJH-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1nnc(-c2ccccc2Cl)s1 ZINC000121204050 862451460 /nfs/dbraw/zinc/45/14/60/862451460.db2.gz LQOYOSQLYIMNJB-UHFFFAOYSA-N -1 0 396.837 3.568 20 5 GHBDRM Cc1ccc(-c2ncccc2[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000437690088 853420857 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Cc1oc(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000485872004 857173346 /nfs/dbraw/zinc/17/33/46/857173346.db2.gz CUMORHNYTIEXJO-UHFFFAOYSA-N -1 0 395.371 3.868 20 5 GHBDRM COc1cccc(C(C)(C)CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000441868181 857265432 /nfs/dbraw/zinc/26/54/32/857265432.db2.gz NMQMYXLZTRSGRP-UHFFFAOYSA-N -1 0 398.868 3.513 20 5 GHBDRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000466628875 862919439 /nfs/dbraw/zinc/91/94/39/862919439.db2.gz QMSINLGWDHNCSY-UHFFFAOYSA-N -1 0 376.397 3.941 20 5 GHBDRM O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000486333664 857670188 /nfs/dbraw/zinc/67/01/88/857670188.db2.gz RVZYCCZHWFPWKQ-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM Cc1c(-c2cc(F)ccc2OC[C@H]2CCOC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000574413172 857792598 /nfs/dbraw/zinc/79/25/98/857792598.db2.gz HUMJVEYPCVOWNU-LBPRGKRZSA-N -1 0 375.352 3.823 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc(F)c(C(F)(F)F)c1 ZINC000327735590 857895877 /nfs/dbraw/zinc/89/58/77/857895877.db2.gz WORGKPGTWRKMRN-UHFFFAOYSA-N -1 0 382.266 3.693 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2Cl)s1 ZINC000066585873 858195007 /nfs/dbraw/zinc/19/50/07/858195007.db2.gz LYHIKOZBNWHXBQ-UHFFFAOYSA-N -1 0 397.659 3.873 20 5 GHBDRM C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160326775 858810702 /nfs/dbraw/zinc/81/07/02/858810702.db2.gz CPIDYZROUCMQMY-PIGZYNQJSA-N -1 0 376.796 3.556 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1Br ZINC000522365710 859229075 /nfs/dbraw/zinc/22/90/75/859229075.db2.gz DGTGZDAQOKABOP-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(-c3nccc(C)n3)cc2)c1 ZINC000543658821 859263992 /nfs/dbraw/zinc/26/39/92/859263992.db2.gz QBZZQIVNKAZYMO-UHFFFAOYSA-N -1 0 398.444 3.778 20 5 GHBDRM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])c2)n1 ZINC000161063415 859534815 /nfs/dbraw/zinc/53/48/15/859534815.db2.gz WBEOWIQVURSQHL-UHFFFAOYSA-N -1 0 387.417 3.976 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000611294699 859681526 /nfs/dbraw/zinc/68/15/26/859681526.db2.gz RBAIUDOTGFCDKV-GFCCVEGCSA-N -1 0 398.444 3.765 20 5 GHBDRM CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])c2ccccc21 ZINC000598206572 860128600 /nfs/dbraw/zinc/12/86/00/860128600.db2.gz RTKPSQRTWPCJNA-OAHLLOKOSA-N -1 0 398.415 3.776 20 5 GHBDRM Cc1ccc(-c2csc([N-]S(=O)(=O)Cc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000124561097 860421733 /nfs/dbraw/zinc/42/17/33/860421733.db2.gz ZHUWKSUVCNJTJW-UHFFFAOYSA-N -1 0 389.458 3.969 20 5 GHBDRM O=[N+]([O-])c1ccc(CCSc2n[n-]c(=NCc3ccc(F)cc3)s2)cc1 ZINC000603723408 861082018 /nfs/dbraw/zinc/08/20/18/861082018.db2.gz SHYPQIZCLOPICK-UHFFFAOYSA-N -1 0 390.465 3.954 20 5 GHBDRM Cc1ccc(C)c([C@@H]2CN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])[C@H](C)CO2)c1 ZINC000593738679 861119186 /nfs/dbraw/zinc/11/91/86/861119186.db2.gz WQXXGKLHLWEDLQ-QRWLVFNGSA-N -1 0 384.432 3.872 20 5 GHBDRM CCCc1ccc(-c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000603780901 861168052 /nfs/dbraw/zinc/16/80/52/861168052.db2.gz UNSNCKJPJSGQHX-UHFFFAOYSA-N -1 0 386.433 3.738 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)ccc1[N+](=O)[O-] ZINC000444052433 863211208 /nfs/dbraw/zinc/21/12/08/863211208.db2.gz RXVBVXQRJPXGEQ-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cnn1CCC(C)C ZINC000137780882 863829444 /nfs/dbraw/zinc/82/94/44/863829444.db2.gz LMYIPPSENVFNCV-UHFFFAOYSA-N -1 0 380.470 3.563 20 5 GHBDRM CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000734079275 863983183 /nfs/dbraw/zinc/98/31/83/863983183.db2.gz BQAORSUIIVBFAN-INIZCTEOSA-N -1 0 382.482 3.537 20 5 GHBDRM CCc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cnn1C(CC)CC ZINC000480248722 864357543 /nfs/dbraw/zinc/35/75/43/864357543.db2.gz NXCVNCKJFFTRFS-UHFFFAOYSA-N -1 0 380.470 3.824 20 5 GHBDRM CC(C)[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000734712434 864403239 /nfs/dbraw/zinc/40/32/39/864403239.db2.gz MVVRYXOJVBEBMR-AWEZNQCLSA-N -1 0 388.511 3.704 20 5 GHBDRM O=C([O-])Cc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000520458014 881794410 /nfs/dbraw/zinc/79/44/10/881794410.db2.gz HKDAIFZPRKAGDK-UHFFFAOYSA-N -1 0 383.385 3.598 20 5 GHBDRM Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000173575860 864888268 /nfs/dbraw/zinc/88/82/68/864888268.db2.gz LZDGPRQJVJIUHV-UHFFFAOYSA-N -1 0 378.303 3.862 20 5 GHBDRM Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000499265879 881813902 /nfs/dbraw/zinc/81/39/02/881813902.db2.gz QOHNDNXPVIJSFW-UHFFFAOYSA-N -1 0 390.339 3.737 20 5 GHBDRM O=C(Nc1ccc(OC(F)F)c2cccnc12)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000186388665 865101066 /nfs/dbraw/zinc/10/10/66/865101066.db2.gz SJRJBUCDZBSXIX-UHFFFAOYSA-N -1 0 375.287 3.702 20 5 GHBDRM C[C@@H](Sc1ccccc1-c1nn[nH]n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000736192405 865152453 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BRCIQOITUYHVKK-UHFFFAOYSA-N -1 0 389.458 3.584 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2nc3c(cccc3Cl)s2)ccc1[N+](=O)[O-] ZINC000479115977 867210373 /nfs/dbraw/zinc/21/03/73/867210373.db2.gz OGZIIGCJOGHJEK-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM COc1ccc([C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2ccc(F)cc2)cc1 ZINC000475621532 867808746 /nfs/dbraw/zinc/80/87/46/867808746.db2.gz UPSVKLLXOYMJIS-FQEVSTJZSA-N -1 0 396.374 3.968 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccc(Cl)cc2)c1 ZINC000479567686 868083888 /nfs/dbraw/zinc/08/38/88/868083888.db2.gz QCVWCSOCQLBFER-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM Cc1sc(Br)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000122235867 869184814 /nfs/dbraw/zinc/18/48/14/869184814.db2.gz QGRJAPRRMHNNDQ-UHFFFAOYSA-N -1 0 377.241 3.528 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1ccc(F)c(F)c1 ZINC000462549338 869656252 /nfs/dbraw/zinc/65/62/52/869656252.db2.gz JODFWACQUDVAMV-UHFFFAOYSA-N -1 0 397.186 3.658 20 5 GHBDRM CCOc1ccc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)c([N+](=O)[O-])c1 ZINC000446758635 870345916 /nfs/dbraw/zinc/34/59/16/870345916.db2.gz KSYXCIVAQBOPCV-UHFFFAOYSA-N -1 0 388.804 3.728 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cc3cccnc3c3ncccc23)cnc1Cl ZINC001192572434 870551919 /nfs/dbraw/zinc/55/19/19/870551919.db2.gz WKMNLEAFSZVRFD-UHFFFAOYSA-N -1 0 384.848 3.941 20 5 GHBDRM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)ccc1OC(C)C ZINC000766378788 870665229 /nfs/dbraw/zinc/66/52/29/870665229.db2.gz HHIQFDSUKCRNJG-UHFFFAOYSA-N -1 0 398.412 3.639 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2nnc(CC3CCCCC3)o2)c1 ZINC000446967872 870821160 /nfs/dbraw/zinc/82/11/60/870821160.db2.gz UXKSEYAWBTUDGX-UHFFFAOYSA-N -1 0 394.453 3.518 20 5 GHBDRM COC(=O)c1sccc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000447128734 871080915 /nfs/dbraw/zinc/08/09/15/871080915.db2.gz PDNPHXZQFYXMMX-UHFFFAOYSA-N -1 0 391.224 3.519 20 5 GHBDRM COc1cc(C)c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)cc1C ZINC000766586541 871200163 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FJWPADATXBHLSO-UHFFFAOYSA-N -1 0 380.422 3.501 20 5 GHBDRM CCc1ccc2nc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3OC)sc2c1 ZINC000619507447 872692983 /nfs/dbraw/zinc/69/29/83/872692983.db2.gz VTRBEZYMELQDQP-UHFFFAOYSA-N -1 0 393.446 3.576 20 5 GHBDRM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000619553978 872742462 /nfs/dbraw/zinc/74/24/62/872742462.db2.gz IURTUHKQAYEBQA-NWDGAFQWSA-N -1 0 378.450 3.613 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000152961947 872746045 /nfs/dbraw/zinc/74/60/45/872746045.db2.gz XEEJOYWXNYCSCB-ZDUSSCGKSA-N -1 0 390.823 3.885 20 5 GHBDRM O=C(Nc1ccccc1-c1ncc2n1CCCC2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000619867598 873111444 /nfs/dbraw/zinc/11/14/44/873111444.db2.gz YHSLYYZXQZHKHQ-UHFFFAOYSA-N -1 0 378.388 3.753 20 5 GHBDRM Cc1[nH]nc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1-c1cccc(Cl)c1 ZINC000768865436 873667820 /nfs/dbraw/zinc/66/78/20/873667820.db2.gz JKWGCOHXCFNOJC-UHFFFAOYSA-N -1 0 398.853 3.809 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cc2cc(Br)ccc2[nH]1 ZINC000541586545 873930076 /nfs/dbraw/zinc/93/00/76/873930076.db2.gz ACCMZFPALPWAPW-UHFFFAOYSA-N -1 0 376.166 3.797 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000541586773 873931304 /nfs/dbraw/zinc/93/13/04/873931304.db2.gz WXAKQABZEJQNRQ-STQMWFEESA-N -1 0 377.194 3.805 20 5 GHBDRM CCCCN1Cc2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2C1 ZINC000541587613 873934129 /nfs/dbraw/zinc/93/41/29/873934129.db2.gz OWHSDOIBNBCQJR-UHFFFAOYSA-N -1 0 389.477 3.820 20 5 GHBDRM O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000770414176 874656988 /nfs/dbraw/zinc/65/69/88/874656988.db2.gz ATZSWGGKXQRTGM-UHFFFAOYSA-N -1 0 393.852 3.759 20 5 GHBDRM Cc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cnn1CCC(C)C ZINC000491718579 875904568 /nfs/dbraw/zinc/90/45/68/875904568.db2.gz HDRRTGSDEHMCHJ-UHFFFAOYSA-N -1 0 380.470 3.563 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(C)nc2ccc(Cl)cn21 ZINC000785553185 876104581 /nfs/dbraw/zinc/10/45/81/876104581.db2.gz FOXWNRYNZDKRIJ-UHFFFAOYSA-N -1 0 394.840 3.568 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(Cl)c1 ZINC000107532316 876368050 /nfs/dbraw/zinc/36/80/50/876368050.db2.gz QVGGFCBHRASWAP-UHFFFAOYSA-N -1 0 381.841 3.649 20 5 GHBDRM COc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2s1 ZINC000551474855 877282225 /nfs/dbraw/zinc/28/22/25/877282225.db2.gz SLTCLNYLWICFQM-UHFFFAOYSA-N -1 0 399.837 3.667 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)c(Cl)c1 ZINC000451056093 877290256 /nfs/dbraw/zinc/29/02/56/877290256.db2.gz AIHNUUFFNCYOJR-GFCCVEGCSA-N -1 0 382.825 3.553 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cn(C)nc2C2CCCCC2)c1 ZINC000451073177 877306860 /nfs/dbraw/zinc/30/68/60/877306860.db2.gz IYXFFQSNDIXVPV-UHFFFAOYSA-N -1 0 392.481 3.794 20 5 GHBDRM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1Br ZINC000192731947 877377952 /nfs/dbraw/zinc/37/79/52/877377952.db2.gz IADRFQDKQONQNO-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c(OC2CCCC2)c1 ZINC000477664085 878009866 /nfs/dbraw/zinc/00/98/66/878009866.db2.gz OASDGDMZQGRONQ-UHFFFAOYSA-N -1 0 386.404 3.560 20 5 GHBDRM O=[N+]([O-])c1ccc2[nH]nc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)c2c1 ZINC000533939913 878520233 /nfs/dbraw/zinc/52/02/33/878520233.db2.gz YVVRFSHMCKQEFM-UHFFFAOYSA-N -1 0 387.204 3.579 20 5 GHBDRM O=C([O-])C1CCN(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000238031174 878875443 /nfs/dbraw/zinc/87/54/43/878875443.db2.gz PZHOZNHSDHZBAY-SOFGYWHQSA-N -1 0 386.429 3.660 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)c1ccccc1 ZINC000789483492 879007257 /nfs/dbraw/zinc/00/72/57/879007257.db2.gz NEUXXDTWAWZLIV-INIZCTEOSA-N -1 0 390.461 3.538 20 5 GHBDRM O=C(CCc1nc(-c2cccs2)no1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180778631 879313526 /nfs/dbraw/zinc/31/35/26/879313526.db2.gz SILGFWCQZGAGMP-UHFFFAOYSA-N -1 0 394.796 3.637 20 5 GHBDRM O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(Br)cc(Cl)c1[O-] ZINC001183332835 912447202 /nfs/dbraw/zinc/44/72/02/912447202.db2.gz FHWOYXLVBNGSPE-UHFFFAOYSA-N -1 0 399.628 3.689 20 5 GHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCc1c(Cl)cccc1Cl ZINC000520156973 879914414 /nfs/dbraw/zinc/91/44/14/879914414.db2.gz PNDSBTQGUQHPPB-UHFFFAOYSA-N -1 0 393.223 3.562 20 5 GHBDRM C[C@@H]1CCC(C)(C)N1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000854895716 880126614 /nfs/dbraw/zinc/12/66/14/880126614.db2.gz CAWQKDVTMMGEIR-SNVBAGLBSA-N -1 0 378.816 3.543 20 5 GHBDRM Cc1ccc(OC2CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CC2)cc1C ZINC000531740315 880369914 /nfs/dbraw/zinc/36/99/14/880369914.db2.gz ZYEIJYYEJLFLSV-UHFFFAOYSA-N -1 0 398.415 3.593 20 5 GHBDRM Cc1csc(Nc2cccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)n1 ZINC000520307147 880758417 /nfs/dbraw/zinc/75/84/17/880758417.db2.gz BBNRJKBTCWZEFG-UHFFFAOYSA-N -1 0 390.446 3.904 20 5 GHBDRM O=C([O-])c1cc(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000531997297 880867384 /nfs/dbraw/zinc/86/73/84/880867384.db2.gz WDQOYMSPXIECHX-CQSZACIVSA-N -1 0 382.294 3.717 20 5 GHBDRM CN1c2ccccc2C(=O)N(Cc2ccco2)[C@@H]1c1ccc([N+](=O)[O-])c([O-])c1 ZINC000498578029 884915291 /nfs/dbraw/zinc/91/52/91/884915291.db2.gz RGWITOMLZIUSRT-LJQANCHMSA-N -1 0 379.372 3.684 20 5 GHBDRM COc1cccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1OC(F)F ZINC000537572826 885526989 /nfs/dbraw/zinc/52/69/89/885526989.db2.gz SAJYYHBQCJRCTC-UHFFFAOYSA-N -1 0 388.710 3.816 20 5 GHBDRM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000498812575 885831213 /nfs/dbraw/zinc/83/12/13/885831213.db2.gz PTWGMNUUWSMBNH-CQSZACIVSA-N -1 0 390.779 3.730 20 5 GHBDRM CC1(c2nsc([N-]C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])n2)CC1 ZINC001131457261 886785701 /nfs/dbraw/zinc/78/57/01/886785701.db2.gz NNIVHVFXWNNZOP-UHFFFAOYSA-N -1 0 381.417 3.812 20 5 GHBDRM COc1ccccc1[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000864227564 887645912 /nfs/dbraw/zinc/64/59/12/887645912.db2.gz FSDGGBDNRLDVAD-AWEZNQCLSA-N -1 0 398.415 3.712 20 5 GHBDRM O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000272603428 888044537 /nfs/dbraw/zinc/04/45/37/888044537.db2.gz REYIGBHSMYHANF-UHFFFAOYSA-N -1 0 388.807 3.689 20 5 GHBDRM O=[N+]([O-])c1cccc(-c2csc([N-]S(=O)(=O)Cc3ccccc3)n2)c1 ZINC000147857066 888330813 /nfs/dbraw/zinc/33/08/13/888330813.db2.gz QTTAYGLMSQIWFL-UHFFFAOYSA-N -1 0 375.431 3.660 20 5 GHBDRM COC(=O)c1ccc(Cl)c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000810881190 888951500 /nfs/dbraw/zinc/95/15/00/888951500.db2.gz IZFIVNNBSUAZPZ-UHFFFAOYSA-N -1 0 385.159 3.646 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])nn1C1CCCCC1 ZINC000811719131 889916404 /nfs/dbraw/zinc/91/64/04/889916404.db2.gz RLDAFPGWTQTNIH-UHFFFAOYSA-N -1 0 382.417 3.545 20 5 GHBDRM O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000475984574 891679849 /nfs/dbraw/zinc/67/98/49/891679849.db2.gz KJFVAEFARWEKDC-UHFFFAOYSA-N -1 0 390.245 3.756 20 5 GHBDRM CCCN(CCC)C(=O)c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000475990892 891904789 /nfs/dbraw/zinc/90/47/89/891904789.db2.gz OVEQLDJWHFCEAU-UHFFFAOYSA-N -1 0 385.420 3.815 20 5 GHBDRM O=C([O-])/C=C/c1ccc(NCc2cccc(Cn3cccn3)c2)c([N+](=O)[O-])c1 ZINC000917522670 892095228 /nfs/dbraw/zinc/09/52/28/892095228.db2.gz IMYFQUWNTHFYEA-SOFGYWHQSA-N -1 0 378.388 3.550 20 5 GHBDRM CC(C)c1nsc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC000874694380 892301187 /nfs/dbraw/zinc/30/11/87/892301187.db2.gz OPFKOYZJBPXYJC-UHFFFAOYSA-N -1 0 377.245 3.646 20 5 GHBDRM CCC[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)c2C1 ZINC000130563765 893369669 /nfs/dbraw/zinc/36/96/69/893369669.db2.gz KSZZYPWBYPQUEO-GFCCVEGCSA-N -1 0 395.506 3.961 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000536699427 893571049 /nfs/dbraw/zinc/57/10/49/893571049.db2.gz AXPWOJLJLCSVHS-UHFFFAOYSA-N -1 0 380.353 3.598 20 5 GHBDRM COc1ccc(-c2nc(NC(=O)c3cccc([O-])c3[N+](=O)[O-])sc2C)cc1 ZINC000536758092 893747572 /nfs/dbraw/zinc/74/75/72/893747572.db2.gz XOEFATILGKMFGL-UHFFFAOYSA-N -1 0 385.401 3.993 20 5 GHBDRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000816108120 894506438 /nfs/dbraw/zinc/50/64/38/894506438.db2.gz YKPDCMXHEPIZSK-MRXNPFEDSA-N -1 0 396.852 3.705 20 5 GHBDRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000816113243 894515141 /nfs/dbraw/zinc/51/51/41/894515141.db2.gz NPMQUHOAXNTYLF-INIZCTEOSA-N -1 0 396.852 3.705 20 5 GHBDRM CN(Cc1ccccc1Br)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001135423303 894549785 /nfs/dbraw/zinc/54/97/85/894549785.db2.gz MILVOWWTYRDBNM-UHFFFAOYSA-N -1 0 399.628 3.989 20 5 GHBDRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778424222 894966206 /nfs/dbraw/zinc/96/62/06/894966206.db2.gz YWQQZYXCCMEAGG-UHFFFAOYSA-N -1 0 385.188 3.864 20 5 GHBDRM COc1ccccc1[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])OC(C)C ZINC000565483421 895667763 /nfs/dbraw/zinc/66/77/63/895667763.db2.gz IGELHLDIBNCFPY-IBGZPJMESA-N -1 0 388.420 3.809 20 5 GHBDRM Cc1cc(Br)c(NC(=O)CC2(CC(=O)[O-])CCC2)cc1[N+](=O)[O-] ZINC000817572705 895741546 /nfs/dbraw/zinc/74/15/46/895741546.db2.gz YKODBVOODFATPR-UHFFFAOYSA-N -1 0 385.214 3.639 20 5 GHBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(C(F)(F)F)nc1Cl ZINC000817862745 895936002 /nfs/dbraw/zinc/93/60/02/895936002.db2.gz MUOPVQUCMCEFSY-ZETCQYMHSA-N -1 0 389.717 3.859 20 5 GHBDRM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OC(C)C ZINC000778566077 896786929 /nfs/dbraw/zinc/78/69/29/896786929.db2.gz DAWTVUWRBIGXHS-UHFFFAOYSA-N -1 0 386.376 3.769 20 5 GHBDRM CN(CCCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC001136365969 897476658 /nfs/dbraw/zinc/47/66/58/897476658.db2.gz QHKBFGUETJSKIG-UHFFFAOYSA-N -1 0 377.828 3.600 20 5 GHBDRM O=C([O-])[C@@]1(C(F)(F)F)CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000567985463 897522880 /nfs/dbraw/zinc/52/28/80/897522880.db2.gz YRGVHABTRKTRMZ-CQSZACIVSA-N -1 0 387.339 3.562 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2F)c1Cl ZINC000821163081 897770567 /nfs/dbraw/zinc/77/05/67/897770567.db2.gz DWCVBLZYYSMXRV-UHFFFAOYSA-N -1 0 383.159 3.981 20 5 GHBDRM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1Cl ZINC000821163199 897771940 /nfs/dbraw/zinc/77/19/40/897771940.db2.gz JVDRMJMHOGHQMP-UHFFFAOYSA-N -1 0 389.216 3.637 20 5 GHBDRM O=C(N[C@H](COc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001136711442 898992681 /nfs/dbraw/zinc/99/26/81/898992681.db2.gz UECOJEKLOVWKTH-LJQANCHMSA-N -1 0 378.384 3.851 20 5 GHBDRM Cc1ccc(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(OC[C@H]2CCOC2)c1 ZINC000570518240 899356670 /nfs/dbraw/zinc/35/66/70/899356670.db2.gz XRVFKBOLPVYBFW-AWEZNQCLSA-N -1 0 386.404 3.629 20 5 GHBDRM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CCc4c3cccc4[N+](=O)[O-])c2)o1 ZINC001136912918 899734383 /nfs/dbraw/zinc/73/43/83/899734383.db2.gz UTFRIDGNTWMCOF-UHFFFAOYSA-N -1 0 378.340 3.576 20 5 GHBDRM 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ZINC000827751886 925946153 /nfs/dbraw/zinc/94/61/53/925946153.db2.gz IUJNZPJZTXROTN-JQWIXIFHSA-N -1 0 378.816 3.543 20 5 GHBDRM CCCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000751262475 928099342 /nfs/dbraw/zinc/09/93/42/928099342.db2.gz PQXNDATYEGZTNQ-UHFFFAOYSA-N -1 0 398.824 3.616 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2cc(F)c(OC(C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000466965174 928548065 /nfs/dbraw/zinc/54/80/65/928548065.db2.gz UAYFBNQDQXVTLQ-UHFFFAOYSA-N -1 0 392.405 3.831 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000753069377 929189893 /nfs/dbraw/zinc/18/98/93/929189893.db2.gz TXXRJOQRVZXRGO-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000753069229 929190164 /nfs/dbraw/zinc/19/01/64/929190164.db2.gz ROUJFQRGCFLNIB-UHFFFAOYSA-N -1 0 392.767 3.959 20 5 GHBDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1-c1ccccc1 ZINC000759147198 930289589 /nfs/dbraw/zinc/28/95/89/930289589.db2.gz ILADEJPYXPUWNH-UHFFFAOYSA-N -1 0 392.824 3.748 20 5 GHBDRM O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780741545 930589316 /nfs/dbraw/zinc/58/93/16/930589316.db2.gz OSOZKXOXFVNCGG-UHFFFAOYSA-N -1 0 377.347 3.821 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c1 ZINC000783835969 931683639 /nfs/dbraw/zinc/68/36/39/931683639.db2.gz SDGYUVQYIYTBKR-UHFFFAOYSA-N -1 0 398.853 3.809 20 5 GHBDRM O=C([O-])c1ccccc1C1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000783961167 931732771 /nfs/dbraw/zinc/73/27/71/931732771.db2.gz HGLGVHLFVPRWFR-YFHOEESVSA-N -1 0 380.400 3.712 20 5 GHBDRM CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000784812432 932008207 /nfs/dbraw/zinc/00/82/07/932008207.db2.gz ICUFENGKXMXZNF-NSHDSACASA-N -1 0 376.862 3.660 20 5 GHBDRM Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000777592556 932137454 /nfs/dbraw/zinc/13/74/54/932137454.db2.gz ZRGJKALEHNIYPM-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1CCC[C@H]2CCC[C@@H]21 ZINC000798172554 932551409 /nfs/dbraw/zinc/55/14/09/932551409.db2.gz SOKFULLKVQBBJD-YPMHNXCESA-N -1 0 390.827 3.544 20 5 GHBDRM C[C@H](OC(=O)c1cc([S-])ccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000798718885 932753224 /nfs/dbraw/zinc/75/32/24/932753224.db2.gz HMCZKYBHBHUAQW-VIFPVBQESA-N -1 0 389.364 3.991 20 5 GHBDRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000799622946 933066256 /nfs/dbraw/zinc/06/62/56/933066256.db2.gz HDOZEULAWUYFSE-GFCCVEGCSA-N -1 0 394.474 3.604 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc3c(s2)C[C@H](C)CC3)cc1C ZINC001115965459 933261725 /nfs/dbraw/zinc/26/17/25/933261725.db2.gz OFYKZDQOWLZXEC-SECBINFHSA-N -1 0 381.479 3.594 20 5 GHBDRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000777906413 934048279 /nfs/dbraw/zinc/04/82/79/934048279.db2.gz JRIHTEOUNPDOQJ-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM 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CC[C@H](NC(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001595243290 980173892 /nfs/dbraw/zinc/17/38/92/980173892.db2.gz YZMWESXLXYEPRE-AWEZNQCLSA-N -1 0 392.795 3.593 20 5 GHBDRM C[C@H](NC(=O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC001593037028 980316776 /nfs/dbraw/zinc/31/67/76/980316776.db2.gz VHLGOUAQAHRRCE-ZDUSSCGKSA-N -1 0 394.383 3.702 20 5 GHBDRM CC[C@@H]1CN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC001595492872 981256093 /nfs/dbraw/zinc/25/60/93/981256093.db2.gz YODFJHHZJHGFCA-OAHLLOKOSA-N -1 0 398.415 3.529 20 5 GHBDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC001594781687 981788160 /nfs/dbraw/zinc/78/81/60/981788160.db2.gz MBJLOWGPIQMENP-SGTLLEGYSA-N -1 0 380.466 3.567 20 5 GHBDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001594792328 981860638 /nfs/dbraw/zinc/86/06/38/981860638.db2.gz NQXFZMVQIARNIJ-MRXNPFEDSA-N -1 0 388.342 3.719 20 5 GHBDRM CCNc1ccc(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)cc1[N+](=O)[O-] ZINC001596501485 984256306 /nfs/dbraw/zinc/25/63/06/984256306.db2.gz WOUZHKDCZHFBDC-ZSEKCTLFSA-N -1 0 397.431 3.634 20 5 GHBDRM C[C@H](N[C@H](C(=O)[O-])c1ccccc1Br)c1ccccc1[N+](=O)[O-] ZINC001599901065 984826486 /nfs/dbraw/zinc/82/64/86/984826486.db2.gz LCRGLQVSMUGIGF-BONVTDFDSA-N -1 0 379.210 3.834 20 5 GHBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC001589000909 984942827 /nfs/dbraw/zinc/94/28/27/984942827.db2.gz FRNKIDUJSWKINN-XXTMNZORSA-N -1 0 382.416 3.590 20 5 GHBDRM CCOC(=O)c1ccnc(N[C@@H](CCC(=O)[O-])CC2CCCCC2)c1[N+](=O)[O-] ZINC001596732569 985012206 /nfs/dbraw/zinc/01/22/06/985012206.db2.gz KETWFEFJNINPBR-AWEZNQCLSA-N -1 0 393.440 3.782 20 5 GHBDRM Cc1[nH]c2ccccc2c1CCNC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001599965197 985890524 /nfs/dbraw/zinc/89/05/24/985890524.db2.gz GRRSBPXJZPKCKV-UHFFFAOYSA-N -1 0 396.403 3.755 20 5 GHBDRM Cc1c(Br)csc1C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001599974168 986061257 /nfs/dbraw/zinc/06/12/57/986061257.db2.gz NLBUGFMKBZNMCW-UHFFFAOYSA-N -1 0 386.179 3.645 20 5 GHBDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001597015686 986369189 /nfs/dbraw/zinc/36/91/89/986369189.db2.gz SHNZDKBDWKWLHX-UHFFFAOYSA-N -1 0 399.403 3.888 20 5 GHBDRM C[C@H](C(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589385125 986473245 /nfs/dbraw/zinc/47/32/45/986473245.db2.gz CBFROHLVKPQFPX-GZRFBZBPSA-N -1 0 396.443 3.778 20 5 GHBDRM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1OC ZINC001597045285 986507272 /nfs/dbraw/zinc/50/72/72/986507272.db2.gz WANKNNVEBXALPF-UHFFFAOYSA-N -1 0 394.405 3.631 20 5 GHBDRM CCOc1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001597062205 986553914 /nfs/dbraw/zinc/55/39/14/986553914.db2.gz QVPFERIDJVBUSP-UHFFFAOYSA-N -1 0 378.768 3.906 20 5 GHBDRM CCOc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C(=O)[O-])c1F ZINC001597123246 986823518 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YPVKPMZHFITLSK-UHFFFAOYSA-N -1 0 399.432 3.734 20 5 GHBDRM CN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001598082681 990401077 /nfs/dbraw/zinc/40/10/77/990401077.db2.gz CJMYZUOYMBKQAZ-VQHVLOKHSA-N -1 0 399.384 3.686 20 5 GHBDRM CN(C)c1cccc2sc(C(=O)Oc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)cc21 ZINC001598342047 991407201 /nfs/dbraw/zinc/40/72/01/991407201.db2.gz DYGQRWIIEBJAGS-UHFFFAOYSA-N -1 0 386.385 3.793 20 5 GHBDRM CN(Cc1ccc(Br)cc1)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001598518966 992655076 /nfs/dbraw/zinc/65/50/76/992655076.db2.gz HNZYOVCJMVKPSA-UHFFFAOYSA-N -1 0 379.210 3.621 20 5 GHBDRM CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598534426 992833230 /nfs/dbraw/zinc/83/32/30/992833230.db2.gz XUFRBNXOURTIHN-KRWDZBQOSA-N -1 0 383.429 3.976 20 5 GHBDRM CN(Cc1csc([N+](=O)[O-])c1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598536446 992845413 /nfs/dbraw/zinc/84/54/13/992845413.db2.gz WFRBJEINSBZDOD-ZDUSSCGKSA-N -1 0 385.239 3.677 20 5 GHBDRM 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O=C(Nc1ccc(F)c(F)c1[O-])c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000837266751 1024301511 /nfs/dbraw/zinc/30/15/11/1024301511.db2.gz ZWGOAXIAFJQGEH-UHFFFAOYSA-N -1 0 377.347 3.821 20 5 GHBDRM Cc1c(=O)[n-]n(-c2ccccc2)c1Nc1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001163116805 1026052020 /nfs/dbraw/zinc/05/20/20/1026052020.db2.gz VLEGFFCXHKLKFU-UHFFFAOYSA-N -1 0 388.387 3.995 20 5 GHBDRM COC(=O)c1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(Br)cc1OC ZINC001210398478 1027490232 /nfs/dbraw/zinc/49/02/32/1027490232.db2.gz ZROQGHSDDFCKEX-UHFFFAOYSA-N -1 0 397.181 3.602 20 5 GHBDRM CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1[N-]c1ccc(F)cc1[N+](=O)[O-] ZINC001210951692 1027717394 /nfs/dbraw/zinc/71/73/94/1027717394.db2.gz MXQGNBAYNFLIGS-UHFFFAOYSA-N -1 0 395.412 3.726 20 5 GHBDRM CC(C)(C)CCS(=O)(=O)[N-][C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000841560399 1028730247 /nfs/dbraw/zinc/73/02/47/1028730247.db2.gz JGKYJDHBVNIOFE-GFCCVEGCSA-N -1 0 386.367 3.693 20 5 GHBDRM COc1cc([N+](=O)[O-])c(-c2nc(-c3ccc(Cl)cc3OC)no2)cc1[O-] 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GHBDRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001447029144 1059921239 /nfs/dbraw/zinc/92/12/39/1059921239.db2.gz ZFJUAEUFIAVHTA-SNVBAGLBSA-N -1 0 378.768 3.562 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC001452960144 1061051718 /nfs/dbraw/zinc/05/17/18/1061051718.db2.gz ZTVIGFDESQCMSO-UHFFFAOYSA-N -1 0 383.187 3.511 20 5 GHBDRM O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001545852973 1062044229 /nfs/dbraw/zinc/04/42/29/1062044229.db2.gz CPIAWWNBLYIDOA-MLGOLLRUSA-N -1 0 390.823 3.852 20 5 GHBDRM Cc1csc(C[C@H]2CCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)n1 ZINC001455892434 1062340935 /nfs/dbraw/zinc/34/09/35/1062340935.db2.gz VXJHPVJRVMUQTO-LLVKDONJSA-N -1 0 395.868 3.814 20 5 GHBDRM CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001457242333 1063055811 /nfs/dbraw/zinc/05/58/11/1063055811.db2.gz FJNMLFMTMRRUJD-NSHDSACASA-N -1 0 375.450 3.544 20 5 GHBDRM COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c2ccccc2)cc1 ZINC001470019795 1068526387 /nfs/dbraw/zinc/52/63/87/1068526387.db2.gz KPSRYBZAVYUFSD-HXUWFJFHSA-N -1 0 378.384 3.828 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCc2ccc(Br)c(F)c2C1 ZINC001460796652 1069185094 /nfs/dbraw/zinc/18/50/94/1069185094.db2.gz VBZJSRKCLHVANF-UHFFFAOYSA-N -1 0 381.201 3.760 20 5 GHBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000738203351 599849833 /nfs/dbraw/zinc/84/98/33/599849833.db2.gz SJOMOXKOWRAPDM-HNNXBMFYSA-N -1 0 394.836 3.916 20 5 GHBDRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000740280108 599872642 /nfs/dbraw/zinc/87/26/42/599872642.db2.gz HZHXFTWGNUCGFK-UHFFFAOYSA-N -1 0 395.396 3.919 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000262458852 599936250 /nfs/dbraw/zinc/93/62/50/599936250.db2.gz QKEKFEKRTWCQHK-DYVFJYSZSA-N -1 0 388.445 3.798 20 5 GHBDRM O=C([O-])CCSCc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 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Cc1cccc([C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C(F)(F)F)c1 ZINC000432095394 840683413 /nfs/dbraw/zinc/68/34/13/840683413.db2.gz HVSHJCGXUBFYKE-CQSZACIVSA-N -1 0 382.294 3.635 20 5 GHBDRM CC(C)c1noc(-c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)n1 ZINC000110817095 840745825 /nfs/dbraw/zinc/74/58/25/840745825.db2.gz MUZXXZCMEOQKDI-UHFFFAOYSA-N -1 0 388.405 3.569 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc(C)sc2C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000603852182 861275695 /nfs/dbraw/zinc/27/56/95/861275695.db2.gz FUNPOPBHJWFMEL-UHFFFAOYSA-N -1 0 392.462 3.568 20 5 GHBDRM COc1ccc([C@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])cc1Cl ZINC000581764189 842168689 /nfs/dbraw/zinc/16/86/89/842168689.db2.gz VNBBYOXKFDKAJU-HNNXBMFYSA-N -1 0 393.783 3.513 20 5 GHBDRM O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000175973891 842546650 /nfs/dbraw/zinc/54/66/50/842546650.db2.gz LLSIJPUKMNZJDQ-UHFFFAOYSA-N -1 0 391.286 3.809 20 5 GHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000182075498 842625081 /nfs/dbraw/zinc/62/50/81/842625081.db2.gz QQWMDYOMUOIKQN-MRXNPFEDSA-N -1 0 396.321 3.533 20 5 GHBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N=c1[n-]nc([C@@H]2CCCc3ccccc32)s1 ZINC000432584634 843221874 /nfs/dbraw/zinc/22/18/74/843221874.db2.gz AEZLFZJIGXNQTR-QGZVFWFLSA-N -1 0 394.456 3.897 20 5 GHBDRM C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000432587058 843224677 /nfs/dbraw/zinc/22/46/77/843224677.db2.gz HUSUSADGKLDFDC-KBPBESRZSA-N -1 0 397.431 3.671 20 5 GHBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(COC(C)(C)C)cc1 ZINC000610647629 843354984 /nfs/dbraw/zinc/35/49/84/843354984.db2.gz QPZJXXKAJXVYHP-UHFFFAOYSA-N -1 0 394.449 3.719 20 5 GHBDRM COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc([N+](=O)[O-])ccc4[O-])CC3)c2c1 ZINC000181882913 843428090 /nfs/dbraw/zinc/42/80/90/843428090.db2.gz IUUIDPVYLGTLEJ-UHFFFAOYSA-N -1 0 393.399 3.720 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccn([C@@H](C)c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000610733902 843789153 /nfs/dbraw/zinc/78/91/53/843789153.db2.gz HFTRACOJPUUCCT-AWEZNQCLSA-N -1 0 386.433 3.510 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC000429896957 843898748 /nfs/dbraw/zinc/89/87/48/843898748.db2.gz BNFRCLNYZPYWOX-ZETCQYMHSA-N -1 0 389.207 3.615 20 5 GHBDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(F)c1 ZINC000052025366 843912275 /nfs/dbraw/zinc/91/22/75/843912275.db2.gz LTGSSEVQJRJZAT-UHFFFAOYSA-N -1 0 388.804 3.975 20 5 GHBDRM O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000512935150 844001348 /nfs/dbraw/zinc/00/13/48/844001348.db2.gz AKPPYHBINRXCPL-UHFFFAOYSA-N -1 0 392.293 3.757 20 5 GHBDRM O=C([O-])CCN(CC1CC1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000610844304 844667264 /nfs/dbraw/zinc/66/72/64/844667264.db2.gz GGKDKYLNVALJMB-UHFFFAOYSA-N -1 0 397.431 3.534 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3F)on2)c(Cl)c1 ZINC000433129549 845447955 /nfs/dbraw/zinc/44/79/55/845447955.db2.gz DSIAYSZCSGTOAI-UHFFFAOYSA-N -1 0 397.771 3.843 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(-c3ccccc3F)on2)c1C ZINC000433134334 845469256 /nfs/dbraw/zinc/46/92/56/845469256.db2.gz QPFZHIDRKZDPGW-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM Cc1ccc(CCN(CC(F)(F)F)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000182876401 845565628 /nfs/dbraw/zinc/56/56/28/845565628.db2.gz QIRIYDHZBDBTOH-UHFFFAOYSA-N -1 0 382.338 3.856 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(-c3ccccc3F)on2)c1 ZINC000433173995 845584857 /nfs/dbraw/zinc/58/48/57/845584857.db2.gz LWDOTTJUQHEAMB-UHFFFAOYSA-N -1 0 391.380 3.807 20 5 GHBDRM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000121711663 845603254 /nfs/dbraw/zinc/60/32/54/845603254.db2.gz UHVIDIBSOSRWPQ-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM COc1ccc(S(=O)(=O)[N-]c2ccc3cccc(Cl)c3n2)c([N+](=O)[O-])c1 ZINC000182961450 845701569 /nfs/dbraw/zinc/70/15/69/845701569.db2.gz 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0 392.824 3.543 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]1c1ccc(Br)cn1 ZINC000550080102 851427724 /nfs/dbraw/zinc/42/77/24/851427724.db2.gz QWVIYRNLYOAFOZ-MRXNPFEDSA-N -1 0 378.226 3.795 20 5 GHBDRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000430077621 851527071 /nfs/dbraw/zinc/52/70/71/851527071.db2.gz IHDSCLVMVXRYEV-UHFFFAOYSA-N -1 0 393.446 3.793 20 5 GHBDRM Cc1cccc(S(=O)(=O)[N-]c2nc3ccc([N+](=O)[O-])cc3s2)c1Cl ZINC000430078933 851528014 /nfs/dbraw/zinc/52/80/14/851528014.db2.gz TYHCNVNTLQZGCJ-UHFFFAOYSA-N -1 0 383.838 3.967 20 5 GHBDRM Cc1nn(Cc2ccccc2)c(C)c1/C=C\c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000514312552 851540089 /nfs/dbraw/zinc/54/00/89/851540089.db2.gz XGVPROCAPOBDPL-HJWRWDBZSA-N -1 0 378.388 3.720 20 5 GHBDRM CC(C)(Cc1ccccc1Cl)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000488732052 851726864 /nfs/dbraw/zinc/72/68/64/851726864.db2.gz YTCKAEWSXKTNFR-UHFFFAOYSA-N -1 0 386.832 3.687 20 5 GHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1c(-c2ccccc2)ncn1C1CC1 ZINC000604536932 862289221 /nfs/dbraw/zinc/28/92/21/862289221.db2.gz HUFHUHDFXCHMQY-UHFFFAOYSA-N -1 0 384.417 3.594 20 5 GHBDRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000436614167 852115748 /nfs/dbraw/zinc/11/57/48/852115748.db2.gz ZLHGOSWGQAVVMJ-UHFFFAOYSA-N -1 0 383.187 3.642 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C(=O)C(C)(C)C)cc1 ZINC000425957815 852119417 /nfs/dbraw/zinc/11/94/17/852119417.db2.gz KJZWOXLUAAHWSX-UHFFFAOYSA-N -1 0 376.434 3.933 20 5 GHBDRM O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436628064 852121145 /nfs/dbraw/zinc/12/11/45/852121145.db2.gz NXCZJKAJTSTQHB-KRWDZBQOSA-N -1 0 389.839 3.521 20 5 GHBDRM CCOc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1OC(F)F ZINC000436672945 852171601 /nfs/dbraw/zinc/17/16/01/852171601.db2.gz HADUFULQGNQKPD-UHFFFAOYSA-N -1 0 396.346 3.573 20 5 GHBDRM CC(C)c1noc(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cc2)n1 ZINC000436712129 852232320 /nfs/dbraw/zinc/23/23/20/852232320.db2.gz MMYHKDVHZTUABH-UHFFFAOYSA-N -1 0 382.376 3.650 20 5 GHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000436741060 852258651 /nfs/dbraw/zinc/25/86/51/852258651.db2.gz RPHHVDODIRSSNA-UHFFFAOYSA-N -1 0 383.379 3.941 20 5 GHBDRM COc1ccc(CN[C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000426763058 852371301 /nfs/dbraw/zinc/37/13/01/852371301.db2.gz PMPRXSYQNJNXCB-OAHLLOKOSA-N -1 0 385.203 3.826 20 5 GHBDRM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436829435 852379193 /nfs/dbraw/zinc/37/91/93/852379193.db2.gz AQZSYTSYNAMTSC-LLVKDONJSA-N -1 0 392.795 3.621 20 5 GHBDRM Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436830735 852380110 /nfs/dbraw/zinc/38/01/10/852380110.db2.gz WGEBEFUZTCNQQS-UHFFFAOYSA-N -1 0 378.797 3.668 20 5 GHBDRM O=C(NCc1ccnc(Oc2ccccc2F)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436824164 852392632 /nfs/dbraw/zinc/39/26/32/852392632.db2.gz ZFLMSSLUGIXQJE-UHFFFAOYSA-N -1 0 383.335 3.557 20 5 GHBDRM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1OCc1ccncc1 ZINC000436862916 852427061 /nfs/dbraw/zinc/42/70/61/852427061.db2.gz RIDGLGFWYAQNMK-UHFFFAOYSA-N -1 0 395.371 3.535 20 5 GHBDRM CC(C)c1nccn1Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436869606 852434660 /nfs/dbraw/zinc/43/46/60/852434660.db2.gz MXBXEZPAMAOUSA-UHFFFAOYSA-N -1 0 380.404 3.921 20 5 GHBDRM C[C@@H]1c2cccc(Br)c2CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436892421 852467984 /nfs/dbraw/zinc/46/79/84/852467984.db2.gz LQDNXOBNTGPLON-SNVBAGLBSA-N -1 0 391.221 3.822 20 5 GHBDRM COCCSc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436982835 852571680 /nfs/dbraw/zinc/57/16/80/852571680.db2.gz YUQVCBQSOCTLHF-LBPRGKRZSA-N -1 0 376.434 3.530 20 5 GHBDRM C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436991486 852582279 /nfs/dbraw/zinc/58/22/79/852582279.db2.gz YHJGJCIXKARJDS-JTQLQIEISA-N -1 0 391.221 3.650 20 5 GHBDRM COc1ccccc1[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000506330506 852751249 /nfs/dbraw/zinc/75/12/49/852751249.db2.gz KGBRPYUSSWHVFN-FQEVSTJZSA-N -1 0 378.384 3.828 20 5 GHBDRM O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507314624 852774128 /nfs/dbraw/zinc/77/41/28/852774128.db2.gz OXSXSEGHGPBRIB-UHFFFAOYSA-N -1 0 376.781 3.725 20 5 GHBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)c([N+](=O)[O-])c1 ZINC000438721093 852776177 /nfs/dbraw/zinc/77/61/77/852776177.db2.gz CLFBYGYWONFZEH-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000507318818 852787671 /nfs/dbraw/zinc/78/76/71/852787671.db2.gz ZQVLNTRRJZGZQE-KRWDZBQOSA-N -1 0 394.387 3.718 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)cc1 ZINC000017319990 853130218 /nfs/dbraw/zinc/13/02/18/853130218.db2.gz YMVOGIPSJFYUOY-UHFFFAOYSA-N -1 0 382.488 3.874 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)c1 ZINC000507636197 853132255 /nfs/dbraw/zinc/13/22/55/853132255.db2.gz MKICCCWJKRXFPS-UHFFFAOYSA-N -1 0 385.373 3.943 20 5 GHBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1Cl ZINC000131236443 862474127 /nfs/dbraw/zinc/47/41/27/862474127.db2.gz ACDCCEPGVPWFCH-UHFFFAOYSA-N -1 0 392.176 3.611 20 5 GHBDRM Cc1c(Cl)cccc1N1CCCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000586825615 853571249 /nfs/dbraw/zinc/57/12/49/853571249.db2.gz QOILORQQJKIOEL-UHFFFAOYSA-N -1 0 389.839 3.615 20 5 GHBDRM CC1CCN(c2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000614539524 853871958 /nfs/dbraw/zinc/87/19/58/853871958.db2.gz DTUJMUXTJVUKLM-UHFFFAOYSA-N -1 0 383.404 3.782 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)cc1 ZINC000055579163 854012529 /nfs/dbraw/zinc/01/25/29/854012529.db2.gz HMWITSYAOJJQBW-UHFFFAOYSA-N -1 0 390.339 3.645 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)cc1 ZINC000055583720 854012780 /nfs/dbraw/zinc/01/27/80/854012780.db2.gz XOBURKRVBDIDRZ-UHFFFAOYSA-N -1 0 392.433 3.726 20 5 GHBDRM Cc1oc2ccccc2c1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000466583628 862526840 /nfs/dbraw/zinc/52/68/40/862526840.db2.gz FHWKHNPORSAQQW-UHFFFAOYSA-N -1 0 380.809 3.781 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)ccc1[N+](=O)[O-] ZINC000481959333 862551753 /nfs/dbraw/zinc/55/17/53/862551753.db2.gz VKZOEVUCAURYDA-UHFFFAOYSA-N -1 0 380.397 3.774 20 5 GHBDRM Cc1ccc(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(OC[C@@H]2CCCO2)c1 ZINC000572725151 854951076 /nfs/dbraw/zinc/95/10/76/854951076.db2.gz ABMOAHOAIPDHOV-INIZCTEOSA-N -1 0 386.404 3.771 20 5 GHBDRM O=C([O-])c1ccnc(NCC2(c3cccc(Cl)c3)CCOCC2)c1[N+](=O)[O-] ZINC000573494839 856258954 /nfs/dbraw/zinc/25/89/54/856258954.db2.gz SBVQJOFFUDEWHY-UHFFFAOYSA-N -1 0 391.811 3.502 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000172182289 856364601 /nfs/dbraw/zinc/36/46/01/856364601.db2.gz RZFAIXKZDGDHJD-UHFFFAOYSA-N -1 0 391.449 3.689 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1noc2ccc(Cl)cc21 ZINC000427763838 856706832 /nfs/dbraw/zinc/70/68/32/856706832.db2.gz RSZILSOTIXHQDY-UHFFFAOYSA-N -1 0 388.188 3.844 20 5 GHBDRM O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427937941 856888750 /nfs/dbraw/zinc/88/87/50/856888750.db2.gz MMPCLYCKDOEYCM-UHFFFAOYSA-N -1 0 380.385 3.929 20 5 GHBDRM CC[C@@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000485732401 857007972 /nfs/dbraw/zinc/00/79/72/857007972.db2.gz PVCMCMXYFWSMGS-AWEZNQCLSA-N -1 0 392.795 3.534 20 5 GHBDRM O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164581787 862865668 /nfs/dbraw/zinc/86/56/68/862865668.db2.gz UJVSZPSTNCYYQU-UHFFFAOYSA-N -1 0 383.385 3.611 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C)c(C)c2ncccc12 ZINC000174023809 857199182 /nfs/dbraw/zinc/19/91/82/857199182.db2.gz YKLZOJUYODHCCG-UHFFFAOYSA-N -1 0 387.417 3.569 20 5 GHBDRM Cc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(C)c1OCc1ccccn1 ZINC000486077118 857397051 /nfs/dbraw/zinc/39/70/51/857397051.db2.gz PXVKUTVYQPOIIK-SREVYHEPSA-N -1 0 394.387 3.557 20 5 GHBDRM O=C(c1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1)C1CCC1 ZINC000486087858 857414160 /nfs/dbraw/zinc/41/41/60/857414160.db2.gz QKEOASNSBJQSIU-UHFFFAOYSA-N -1 0 378.381 3.518 20 5 GHBDRM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccccc1F ZINC001212374228 857495974 /nfs/dbraw/zinc/49/59/74/857495974.db2.gz SKIJXYIASCBBRG-ZDUSSCGKSA-N -1 0 390.795 3.956 20 5 GHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)c1 ZINC000442322867 857727153 /nfs/dbraw/zinc/72/71/53/857727153.db2.gz KDAJCHJRJNPBFK-UHFFFAOYSA-N -1 0 375.431 3.883 20 5 GHBDRM Cc1occc1-c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])no1 ZINC000486560571 857859871 /nfs/dbraw/zinc/85/98/71/857859871.db2.gz VCOPTAJXICCIJT-UHFFFAOYSA-N -1 0 383.769 3.605 20 5 GHBDRM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2ccoc2c1 ZINC000442846980 858164004 /nfs/dbraw/zinc/16/40/04/858164004.db2.gz POBRGEOGTZYPHA-UHFFFAOYSA-N -1 0 397.206 3.904 20 5 GHBDRM CC[C@@H](c1n[n-]c(=NC(=O)c2ccc([N+](=O)[O-])c(C)c2)s1)c1ccccc1 ZINC000521633211 858181979 /nfs/dbraw/zinc/18/19/79/858181979.db2.gz WCRITPSDWIQVKL-OAHLLOKOSA-N -1 0 382.445 3.971 20 5 GHBDRM CC(C)[C@H](CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000594459478 858198084 /nfs/dbraw/zinc/19/80/84/858198084.db2.gz ASZDRFBTDLZPET-AWEZNQCLSA-N -1 0 388.445 3.833 20 5 GHBDRM O=C([O-])C[C@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])C1CC1 ZINC000594736109 858268878 /nfs/dbraw/zinc/26/88/78/858268878.db2.gz PXEVYSZZGTYYOV-MRVPVSSYSA-N -1 0 383.273 3.557 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c(Cl)c1 ZINC000020000326 858286125 /nfs/dbraw/zinc/28/61/25/858286125.db2.gz IHZORHVTXGRADM-UHFFFAOYSA-N -1 0 391.630 3.812 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cccnc21 ZINC000184964550 858758978 /nfs/dbraw/zinc/75/89/78/858758978.db2.gz SDNTYHADBHZGMX-UHFFFAOYSA-N -1 0 397.334 3.963 20 5 GHBDRM CO[C@H](c1ccc(Br)cc1)[C@H](C)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596183557 858799572 /nfs/dbraw/zinc/79/95/72/858799572.db2.gz GFNUCMDEBHUWON-XPTSAGLGSA-N -1 0 382.214 3.646 20 5 GHBDRM CCOc1ccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000262180891 858803844 /nfs/dbraw/zinc/80/38/44/858803844.db2.gz QSYYZOQTEHQZQI-UHFFFAOYSA-N -1 0 386.404 3.501 20 5 GHBDRM O=C(Nc1ccccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000185047912 859064166 /nfs/dbraw/zinc/06/41/66/859064166.db2.gz NNXXQLOOKBCPOM-UHFFFAOYSA-N -1 0 377.356 3.805 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)ccc1[N+](=O)[O-] ZINC000522365424 859231181 /nfs/dbraw/zinc/23/11/81/859231181.db2.gz WFSIPZGYJHGHML-UHFFFAOYSA-N -1 0 377.809 3.906 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)c1 ZINC000543664671 859291155 /nfs/dbraw/zinc/29/11/55/859291155.db2.gz ZVJDOCFBXJPWOC-LBPRGKRZSA-N -1 0 392.433 3.591 20 5 GHBDRM C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000483442649 859378269 /nfs/dbraw/zinc/37/82/69/859378269.db2.gz QRBKPQGPTXLQPI-JTQLQIEISA-N -1 0 379.210 3.880 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(N2CCCC2)c(F)c1 ZINC000543680387 859405371 /nfs/dbraw/zinc/40/53/71/859405371.db2.gz QNJWODZYBZQOHK-UHFFFAOYSA-N -1 0 379.775 3.945 20 5 GHBDRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000739010294 859540448 /nfs/dbraw/zinc/54/04/48/859540448.db2.gz SRBPLCGWBUUIOR-CQSZACIVSA-N -1 0 377.444 3.896 20 5 GHBDRM O=C([N-]S(=O)(=O)C1CCCC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000764677227 859564808 /nfs/dbraw/zinc/56/48/08/859564808.db2.gz REYPFYJYSSBBLI-UHFFFAOYSA-N -1 0 398.506 3.632 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000611294654 859679684 /nfs/dbraw/zinc/67/96/84/859679684.db2.gz NGJAFRCEIVRBEW-UHFFFAOYSA-N -1 0 384.388 3.522 20 5 GHBDRM CN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc([N+](=O)[O-])cc2F)C1 ZINC000611491759 859779483 /nfs/dbraw/zinc/77/94/83/859779483.db2.gz IISVINXDTNSZGU-JYRVWZFOSA-N -1 0 393.374 3.966 20 5 GHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000611555500 859804040 /nfs/dbraw/zinc/80/40/40/859804040.db2.gz PYMIHIMBKGXYRD-IUCAKERBSA-N -1 0 386.248 3.503 20 5 GHBDRM O=C(N[C@@H](c1ccccc1)C1(CO)CCCCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000597850100 859868218 /nfs/dbraw/zinc/86/82/18/859868218.db2.gz OEHIGMWCJOMIMJ-IBGZPJMESA-N -1 0 384.432 3.714 20 5 GHBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455934282 860402348 /nfs/dbraw/zinc/40/23/48/860402348.db2.gz VGSVCUQVTYETOO-NVXWUHKLSA-N -1 0 384.432 3.582 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000552337984 860511591 /nfs/dbraw/zinc/51/15/91/860511591.db2.gz LDWNNRBWPOACEK-UHFFFAOYSA-N -1 0 394.265 3.622 20 5 GHBDRM CCOc1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c([N+](=O)[O-])cc1OC ZINC000603570675 860821353 /nfs/dbraw/zinc/82/13/53/860821353.db2.gz XACKVAPLFSWRDK-UHFFFAOYSA-N -1 0 394.767 3.606 20 5 GHBDRM Cc1ccc(C)c([C@H]2CN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])[C@H](C)CO2)c1 ZINC000593738677 861119492 /nfs/dbraw/zinc/11/94/92/861119492.db2.gz WQXXGKLHLWEDLQ-FOIQADDNSA-N -1 0 384.432 3.872 20 5 GHBDRM O=C([O-])[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)Cc2ccccc21 ZINC000593743490 861134662 /nfs/dbraw/zinc/13/46/62/861134662.db2.gz DZTVEOSTYUBXFU-OAHLLOKOSA-N -1 0 380.322 3.798 20 5 GHBDRM Cc1nc(-c2ccc(CCNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)s2)cs1 ZINC000159930439 863162565 /nfs/dbraw/zinc/16/25/65/863162565.db2.gz NZBLZUDEHVDIRG-UHFFFAOYSA-N -1 0 389.458 3.766 20 5 GHBDRM O=[N+]([O-])c1cc(CN=c2[n-]nc3ccccn32)ccc1Oc1ccc(F)cc1 ZINC000475052660 863284442 /nfs/dbraw/zinc/28/44/42/863284442.db2.gz FHRGTDRSJOLTPI-UHFFFAOYSA-N -1 0 379.351 3.603 20 5 GHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000593922129 863355199 /nfs/dbraw/zinc/35/51/99/863355199.db2.gz JSOUHDFLQATNKY-GOPGUHFVSA-N -1 0 386.429 3.505 20 5 GHBDRM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000734154517 864016392 /nfs/dbraw/zinc/01/63/92/864016392.db2.gz MMOMTOXWPJIEPK-VIFPVBQESA-N -1 0 397.865 3.897 20 5 GHBDRM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000734155148 864060152 /nfs/dbraw/zinc/06/01/52/864060152.db2.gz WKNOHTPPWHXIOY-SECBINFHSA-N -1 0 397.865 3.897 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000734736452 864426135 /nfs/dbraw/zinc/42/61/35/864426135.db2.gz FRDLXOHJNFQKNE-GXTWGEPZSA-N -1 0 382.482 3.561 20 5 GHBDRM CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000186274689 864607769 /nfs/dbraw/zinc/60/77/69/864607769.db2.gz AZZQFYTXVPXIPH-UHFFFAOYSA-N -1 0 391.811 3.687 20 5 GHBDRM CC(C)c1nccn1Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000121284451 865145418 /nfs/dbraw/zinc/14/54/18/865145418.db2.gz LLFHWUVQIVZKTG-UHFFFAOYSA-N -1 0 380.404 3.921 20 5 GHBDRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000737355512 865388034 /nfs/dbraw/zinc/38/80/34/865388034.db2.gz SOTCXXXFQQOZNR-NSHDSACASA-N -1 0 390.442 3.630 20 5 GHBDRM CCc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000174287532 865675310 /nfs/dbraw/zinc/67/53/10/865675310.db2.gz XCMPZGIZVTXZID-UHFFFAOYSA-N -1 0 385.239 3.721 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n(-c2ccccc2C)n1 ZINC000608927137 865833508 /nfs/dbraw/zinc/83/35/08/865833508.db2.gz KRQZJVZBKXRDDK-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1C1CC1 ZINC000534239035 866348218 /nfs/dbraw/zinc/34/82/18/866348218.db2.gz YODHZLIOQCLGOL-GFCCVEGCSA-N -1 0 378.454 3.749 20 5 GHBDRM CCCn1ccc2ccc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])cc21 ZINC000742032170 867020452 /nfs/dbraw/zinc/02/04/52/867020452.db2.gz PMBOTKGHEMWWDV-UHFFFAOYSA-N -1 0 377.397 3.899 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cccn2)ccc1[N+](=O)[O-] ZINC000523729954 867862286 /nfs/dbraw/zinc/86/22/86/867862286.db2.gz WYMWHQCHKXUUDF-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM COCCOc1ccc(Cl)cc1-c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000445238397 868045326 /nfs/dbraw/zinc/04/53/26/868045326.db2.gz WOEKBTFMPQLEJZ-UHFFFAOYSA-N -1 0 391.767 3.696 20 5 GHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000535067456 868085494 /nfs/dbraw/zinc/08/54/94/868085494.db2.gz KLRCYHZWLNDCRY-UHFFFAOYSA-N -1 0 375.431 3.828 20 5 GHBDRM O=[N+]([O-])c1ccccc1-c1ccc(CN=c2[n-]nc(Cc3ccccc3)o2)o1 ZINC000479778682 868478447 /nfs/dbraw/zinc/47/84/47/868478447.db2.gz WKRYTLVUWAUSOQ-UHFFFAOYSA-N -1 0 376.372 3.863 20 5 GHBDRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000744012692 868545039 /nfs/dbraw/zinc/54/50/39/868545039.db2.gz PPDCEUCDKAKOOD-LLVKDONJSA-N -1 0 390.889 3.968 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000744128329 868608668 /nfs/dbraw/zinc/60/86/68/868608668.db2.gz FSXJXPRFMDGNNQ-UHFFFAOYSA-N -1 0 396.424 3.689 20 5 GHBDRM C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000609076408 868799400 /nfs/dbraw/zinc/79/94/00/868799400.db2.gz VWJISKJAMSVMAU-LBPRGKRZSA-N -1 0 382.869 3.893 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000539853194 869920081 /nfs/dbraw/zinc/92/00/81/869920081.db2.gz FDHMRBYCYSWXQM-UHFFFAOYSA-N -1 0 376.312 3.603 20 5 GHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)Cc2ccccc2Cl)c2cccnc21 ZINC000446771812 870327802 /nfs/dbraw/zinc/32/78/02/870327802.db2.gz YKVFAOOCTZMCOJ-UHFFFAOYSA-N -1 0 377.809 3.738 20 5 GHBDRM Cc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cccc1C(=O)[O-] ZINC000617698733 870750143 /nfs/dbraw/zinc/75/01/43/870750143.db2.gz AEWJCNNNWMBLJO-UHFFFAOYSA-N -1 0 393.193 3.545 20 5 GHBDRM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447004708 870855804 /nfs/dbraw/zinc/85/58/04/870855804.db2.gz COZFYYAYEJVDFE-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM COCc1ccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000766581920 871183465 /nfs/dbraw/zinc/18/34/65/871183465.db2.gz YWVWWTXLPXGXPK-UHFFFAOYSA-N -1 0 391.232 3.849 20 5 GHBDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000191566844 882517060 /nfs/dbraw/zinc/51/70/60/882517060.db2.gz XDGJNLBAYQYOSP-UHFFFAOYSA-N -1 0 390.339 3.911 20 5 GHBDRM CC[C@](NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000619543704 872723846 /nfs/dbraw/zinc/72/38/46/872723846.db2.gz FMKCNFYTHGNVMY-JLTOFOAXSA-N -1 0 385.420 3.654 20 5 GHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1nccnc1-c1nc2ccccc2s1 ZINC000552684274 872995715 /nfs/dbraw/zinc/99/57/15/872995715.db2.gz GDYBNJYWCOWWEQ-UHFFFAOYSA-N -1 0 393.384 3.619 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCc2ccc(F)c(Br)c2C1 ZINC001196356210 873053104 /nfs/dbraw/zinc/05/31/04/873053104.db2.gz BZZQIMZOQGQCAU-UHFFFAOYSA-N -1 0 381.201 3.760 20 5 GHBDRM Cc1ccc([C@@H](C)NC(=O)N=c2ccc(-c3ccccc3)n[n-]2)cc1[N+](=O)[O-] ZINC000448368573 873304836 /nfs/dbraw/zinc/30/48/36/873304836.db2.gz VLHVRCOUVNKJRX-CQSZACIVSA-N -1 0 377.404 3.665 20 5 GHBDRM CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000769074571 873803172 /nfs/dbraw/zinc/80/31/72/873803172.db2.gz BVBRDDMTKDWVPC-UHFFFAOYSA-N -1 0 387.392 3.577 20 5 GHBDRM CCc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)cc1C(=O)[O-] ZINC000769630413 874175347 /nfs/dbraw/zinc/17/53/47/874175347.db2.gz ISAYPVGLXADMFH-UHFFFAOYSA-N -1 0 398.824 3.618 20 5 GHBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000804414497 882810983 /nfs/dbraw/zinc/81/09/83/882810983.db2.gz MKFHYXFXJZLNOC-HXUWFJFHSA-N -1 0 392.411 3.676 20 5 GHBDRM CCc1nc2cc(S(=O)(=O)[N-]c3c(C)ccc([N+](=O)[O-])c3C)ccc2o1 ZINC000542000937 874737160 /nfs/dbraw/zinc/73/71/60/874737160.db2.gz YVBPKWOFAJSVRJ-UHFFFAOYSA-N -1 0 375.406 3.716 20 5 GHBDRM CC(C)(C)OC(=O)Nc1ccccc1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000770855486 874889022 /nfs/dbraw/zinc/88/90/22/874889022.db2.gz DVUCANOEFWOVIA-UHFFFAOYSA-N -1 0 387.392 3.829 20 5 GHBDRM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1Cl ZINC000105589567 875340427 /nfs/dbraw/zinc/34/04/27/875340427.db2.gz QAFUNDJGMAVKGT-UHFFFAOYSA-N -1 0 395.195 3.850 20 5 GHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000776197531 875800123 /nfs/dbraw/zinc/80/01/23/875800123.db2.gz NYTDWJIGNUVSHR-UHFFFAOYSA-N -1 0 390.245 3.756 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)nn1-c1ccccc1 ZINC000491601045 875835908 /nfs/dbraw/zinc/83/59/08/875835908.db2.gz IGRXEEIRYDFJQU-UHFFFAOYSA-N -1 0 386.433 3.507 20 5 GHBDRM CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000491587443 875846411 /nfs/dbraw/zinc/84/64/11/875846411.db2.gz YAHCSRHCDZZQPT-UHFFFAOYSA-N -1 0 391.449 3.669 20 5 GHBDRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNc1nccc(C)c1[N+](=O)[O-] ZINC000450721309 876785262 /nfs/dbraw/zinc/78/52/62/876785262.db2.gz WTWJEYBDOGJZIF-KRWDZBQOSA-N -1 0 395.463 3.833 20 5 GHBDRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNc1ncccc1[N+](=O)[O-] ZINC000450717422 876816638 /nfs/dbraw/zinc/81/66/38/876816638.db2.gz LMTXEPBHZATCHK-MRXNPFEDSA-N -1 0 381.436 3.525 20 5 GHBDRM CCC1(CC)Oc2ccc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])cc2O1 ZINC000786726438 876888250 /nfs/dbraw/zinc/88/82/50/876888250.db2.gz DFCHDLGGRVOKFR-UHFFFAOYSA-N -1 0 396.396 3.822 20 5 GHBDRM COc1cc(F)c([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])cc1F ZINC000486163031 876984992 /nfs/dbraw/zinc/98/49/92/876984992.db2.gz CAZVINNBXUKQGL-UHFFFAOYSA-N -1 0 393.165 3.958 20 5 GHBDRM Cc1sc(S(=O)(=O)[N-]c2cn(C)nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000451074054 877308441 /nfs/dbraw/zinc/30/84/41/877308441.db2.gz NNCSKIKRWKARPY-UHFFFAOYSA-N -1 0 384.483 3.547 20 5 GHBDRM C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C2CC2)o1 ZINC000237664285 877776436 /nfs/dbraw/zinc/77/64/36/877776436.db2.gz WXNYWEFSHFOLHC-APPDUMDISA-N -1 0 384.388 3.814 20 5 GHBDRM COc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2s1 ZINC000788139839 877855067 /nfs/dbraw/zinc/85/50/67/877855067.db2.gz PEANARFIDGIHKP-UHFFFAOYSA-N -1 0 399.837 3.667 20 5 GHBDRM CC(C)N(Cc1cnn(Cc2ccccc2)c1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001168457423 879248748 /nfs/dbraw/zinc/24/87/48/879248748.db2.gz AUIVEWBFUBEVFA-UHFFFAOYSA-N -1 0 380.448 3.956 20 5 GHBDRM O=C([O-])CSCc1cccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000538469593 879560733 /nfs/dbraw/zinc/56/07/33/879560733.db2.gz DYPCZWZXVYTRHX-UHFFFAOYSA-N -1 0 399.428 3.575 20 5 GHBDRM CC(C)C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)[O-] ZINC000263559927 879585533 /nfs/dbraw/zinc/58/55/33/879585533.db2.gz BGMCAGLDIFZDAJ-MRXNPFEDSA-N -1 0 388.370 3.601 20 5 GHBDRM COC(=O)c1cc(Oc2ccccc2)ccc1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000609380419 883123377 /nfs/dbraw/zinc/12/33/77/883123377.db2.gz LITFOZLKJARWCF-UHFFFAOYSA-N -1 0 381.344 3.754 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2cccnc2Oc2ccccc2)ccc1[N+](=O)[O-] ZINC000609661346 883500785 /nfs/dbraw/zinc/50/07/85/883500785.db2.gz FZKBMAXLTFCCCP-UHFFFAOYSA-N -1 0 385.401 3.891 20 5 GHBDRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cc2)co1 ZINC000026540362 884420462 /nfs/dbraw/zinc/42/04/62/884420462.db2.gz GBMYWKMAWDIEAW-UHFFFAOYSA-N -1 0 387.417 3.976 20 5 GHBDRM O=C(CSc1n[n-]c(=Nc2cccc(F)c2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000495086368 884512696 /nfs/dbraw/zinc/51/26/96/884512696.db2.gz RIEIWELVUJJBSW-UHFFFAOYSA-N -1 0 390.421 3.726 20 5 GHBDRM Cc1nc2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)ccc2o1 ZINC000176579523 884786615 /nfs/dbraw/zinc/78/66/15/884786615.db2.gz CXPOTMJYCJJDJU-UHFFFAOYSA-N -1 0 381.797 3.807 20 5 GHBDRM C[C@H](Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1)C(=O)[O-] ZINC000191425199 884955852 /nfs/dbraw/zinc/95/58/52/884955852.db2.gz YHMXGDUSMXEOGK-LLVKDONJSA-N -1 0 376.796 3.693 20 5 GHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(OC[C@H]2CCCO2)c1 ZINC000537545582 885198347 /nfs/dbraw/zinc/19/83/47/885198347.db2.gz AZXHKLVQTQYHRE-CQSZACIVSA-N -1 0 392.795 3.764 20 5 GHBDRM Cc1cc(S(=O)(=O)[N-]c2nnc(C[C@@H](C)CC(C)(C)C)o2)ccc1[N+](=O)[O-] ZINC000194879885 885296149 /nfs/dbraw/zinc/29/61/49/885296149.db2.gz JRAOWGIDXLPTRU-LLVKDONJSA-N -1 0 396.469 3.702 20 5 GHBDRM C[C@H](Cc1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-] ZINC000262874943 885677636 /nfs/dbraw/zinc/67/76/36/885677636.db2.gz XBVOMSTYDCYVNN-CHWSQXEVSA-N -1 0 388.445 3.977 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1Br ZINC000032586115 887415046 /nfs/dbraw/zinc/41/50/46/887415046.db2.gz SAWGRWWRBDPZAY-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM CC1(C)[C@@H](c2ccccc2F)CCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000864218172 887632333 /nfs/dbraw/zinc/63/23/33/887632333.db2.gz SPDWIZUDVQOGGM-MRXNPFEDSA-N -1 0 386.379 3.840 20 5 GHBDRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000864227191 887645898 /nfs/dbraw/zinc/64/58/98/887645898.db2.gz AVZDESNKOYOCGS-CXAGYDPISA-N -1 0 388.445 3.716 20 5 GHBDRM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000194155192 888063649 /nfs/dbraw/zinc/06/36/49/888063649.db2.gz ZIFMHCZRMXCBKY-UHFFFAOYSA-N -1 0 389.202 3.606 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000916108310 888716816 /nfs/dbraw/zinc/71/68/16/888716816.db2.gz UWBGSXYENHBAJC-UHFFFAOYSA-N -1 0 392.176 3.611 20 5 GHBDRM O=C(OCc1c(F)c(F)c(Br)c(F)c1F)c1ccc([N+](=O)[O-])[n-]1 ZINC000810752907 888851732 /nfs/dbraw/zinc/85/17/32/888851732.db2.gz VJCCNFGCRGZQJF-UHFFFAOYSA-N -1 0 397.078 3.599 20 5 GHBDRM O=C([N-]C[C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1)C(F)(F)F ZINC000811855867 890051428 /nfs/dbraw/zinc/05/14/28/890051428.db2.gz GZTHZGFLDHHIBC-SECBINFHSA-N -1 0 399.291 3.509 20 5 GHBDRM CN(C)C(=O)Sc1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)ccc1Cl ZINC000805432854 890226853 /nfs/dbraw/zinc/22/68/53/890226853.db2.gz DOWXWBLDYWTZFM-UHFFFAOYSA-N -1 0 395.824 3.980 20 5 GHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCc2ccccc2)nc1 ZINC000533466502 890625254 /nfs/dbraw/zinc/62/52/54/890625254.db2.gz MTIXHIFHQRZHMQ-UHFFFAOYSA-N -1 0 399.428 3.678 20 5 GHBDRM COc1cc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1OCCC(C)C ZINC000475992951 891900694 /nfs/dbraw/zinc/90/06/94/891900694.db2.gz BDRNKCOUPCODBS-UHFFFAOYSA-N -1 0 388.420 3.664 20 5 GHBDRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000814023443 892169885 /nfs/dbraw/zinc/16/98/85/892169885.db2.gz YEXDKEMPZWKNIJ-HWOXTHGCSA-N -1 0 388.445 3.595 20 5 GHBDRM C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000497732813 892317477 /nfs/dbraw/zinc/31/74/77/892317477.db2.gz REXZRAXBDRMKLV-SNVBAGLBSA-N -1 0 386.795 3.714 20 5 GHBDRM Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000497861458 892575229 /nfs/dbraw/zinc/57/52/29/892575229.db2.gz WJPASSLVVYJFKF-UHFFFAOYSA-N -1 0 385.239 3.775 20 5 GHBDRM Cc1nc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-] ZINC000194677846 893893905 /nfs/dbraw/zinc/89/39/05/893893905.db2.gz LUACJQWGMKOZPI-UHFFFAOYSA-N -1 0 376.221 3.547 20 5 GHBDRM CN(C)c1ccc(C2(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)cc1 ZINC000815943813 894317889 /nfs/dbraw/zinc/31/78/89/894317889.db2.gz DRRKQJYSTRUXDK-UHFFFAOYSA-N -1 0 375.812 3.690 20 5 GHBDRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000816112826 894512311 /nfs/dbraw/zinc/51/23/11/894512311.db2.gz DFXDHKDHPLFQFH-KBXCAEBGSA-N -1 0 390.461 3.542 20 5 GHBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N(CCc1ccccc1)Cc1cccnc1 ZINC000537240497 894637845 /nfs/dbraw/zinc/63/78/45/894637845.db2.gz CIULSEHVMHHTIP-UHFFFAOYSA-N -1 0 377.400 3.581 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1-c1cccc(Cl)c1 ZINC000537396149 894893751 /nfs/dbraw/zinc/89/37/51/894893751.db2.gz ZLOLKYGJLVSOIU-UHFFFAOYSA-N -1 0 392.824 3.543 20 5 GHBDRM Cc1cc(N2CCC[C@H](c3ncc4n3CCCC4)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000571049269 899723998 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WTQDZDVMRJLYLZ-UHFFFAOYSA-N -1 0 394.786 3.777 20 5 GHBDRM CC(C)N(Cc1ccc(Br)cc1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000600839058 902986907 /nfs/dbraw/zinc/98/69/07/902986907.db2.gz GKAVZRWPSOHWJW-UHFFFAOYSA-N -1 0 394.225 3.509 20 5 GHBDRM CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000600875376 903036541 /nfs/dbraw/zinc/03/65/41/903036541.db2.gz JEYQLNHCEOIHKO-KRWDZBQOSA-N -1 0 386.379 3.840 20 5 GHBDRM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600879101 903040846 /nfs/dbraw/zinc/04/08/46/903040846.db2.gz VNYCIVUJZVSSHG-BLVKFPJESA-N -1 0 390.823 3.543 20 5 GHBDRM COc1cc(Br)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1F ZINC001174504818 907079598 /nfs/dbraw/zinc/07/95/98/907079598.db2.gz GLPPRVNQOONLJO-UHFFFAOYSA-N -1 0 385.145 3.947 20 5 GHBDRM O=C(Nc1cc(F)cc(OC(F)F)c1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001174887237 907247589 /nfs/dbraw/zinc/24/75/89/907247589.db2.gz XUWGANMMLWQXMQ-UHFFFAOYSA-N -1 0 376.674 3.947 20 5 GHBDRM O=C([O-])c1cc(Nc2cc(F)ccc2OC[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC001176676853 908205941 /nfs/dbraw/zinc/20/59/41/908205941.db2.gz JVKFPDHZJLSVHP-OAHLLOKOSA-N -1 0 376.340 3.734 20 5 GHBDRM O=C([O-])c1cc(Nc2ccc(I)cc2)cc([N+](=O)[O-])c1 ZINC001176678857 908206614 /nfs/dbraw/zinc/20/66/14/908206614.db2.gz BRMGCHUXVZHUIF-UHFFFAOYSA-N -1 0 384.129 3.641 20 5 GHBDRM O=C([O-])c1cc(Nc2c(F)cccc2OC[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC001176680285 908207863 /nfs/dbraw/zinc/20/78/63/908207863.db2.gz XEEBRGFDTPYDCF-AWEZNQCLSA-N -1 0 376.340 3.734 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c1 ZINC000795347077 910027194 /nfs/dbraw/zinc/02/71/94/910027194.db2.gz QGKDMUFNZSLFCZ-UHFFFAOYSA-N -1 0 397.771 3.843 20 5 GHBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1onc(C2CCCCC2)c1C ZINC000284140346 911768578 /nfs/dbraw/zinc/76/85/78/911768578.db2.gz QWVAEGMTJPUVKU-UHFFFAOYSA-N -1 0 395.437 3.748 20 5 GHBDRM O=C([N-]Cc1cc(F)cc(Nc2ncc([N+](=O)[O-])cc2Cl)c1)C(F)(F)F ZINC001187234331 915104126 /nfs/dbraw/zinc/10/41/26/915104126.db2.gz XXCZTYXQDBVBPB-UHFFFAOYSA-N -1 0 392.696 3.704 20 5 GHBDRM O=C([O-])CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000901974356 921782199 /nfs/dbraw/zinc/78/21/99/921782199.db2.gz FCBYYVPMWLGYAY-UHFFFAOYSA-N -1 0 395.209 3.666 20 5 GHBDRM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(C)(C)C)c1O ZINC000775296560 916849015 /nfs/dbraw/zinc/84/90/15/916849015.db2.gz YYNPFUZHVRHPDS-UHFFFAOYSA-N -1 0 382.413 3.846 20 5 GHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1nc2c(s1)CCCCCC2 ZINC000409548348 924755594 /nfs/dbraw/zinc/75/55/94/924755594.db2.gz QGTSKLHJILGUFF-UHFFFAOYSA-N -1 0 381.479 3.820 20 5 GHBDRM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])c4ncccc34)c2O1 ZINC000410339738 925550654 /nfs/dbraw/zinc/55/06/54/925550654.db2.gz UHSPPVDUTTZNOZ-UHFFFAOYSA-N -1 0 399.428 3.657 20 5 GHBDRM O=C(COC(=O)c1ccc([N+](=O)[O-])[n-]1)Nc1ccc(Oc2ccccc2)cc1 ZINC000726365109 926640461 /nfs/dbraw/zinc/64/04/61/926640461.db2.gz 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Cc1cc(F)c(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)cc1[N+](=O)[O-] ZINC000759678754 930449935 /nfs/dbraw/zinc/44/99/35/930449935.db2.gz KARRKDUQJYERIB-UHFFFAOYSA-N -1 0 394.302 3.584 20 5 GHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470861891 930977746 /nfs/dbraw/zinc/97/77/46/930977746.db2.gz AOESCYOHFDCVIH-LBPRGKRZSA-N -1 0 397.214 3.901 20 5 GHBDRM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc2[n-]c(=S)oc2c1 ZINC000782014374 931060860 /nfs/dbraw/zinc/06/08/60/931060860.db2.gz XIFBDZBTWFYLAS-UHFFFAOYSA-N -1 0 388.361 3.504 20 5 GHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)c([N+](=O)[O-])c1 ZINC000782492183 931241329 /nfs/dbraw/zinc/24/13/29/931241329.db2.gz RUAXMJVTEZMKIL-UHFFFAOYSA-N -1 0 377.378 3.571 20 5 GHBDRM COc1cc(/C=C2/C(=O)Nc3c2cccc3Br)cc([N+](=O)[O-])c1[O-] ZINC000783714442 931627270 /nfs/dbraw/zinc/62/72/70/931627270.db2.gz KNVDARYJUWVSGC-BJMVGYQFSA-N -1 0 391.177 3.564 20 5 GHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C1CC(C(F)(F)F)C1 ZINC000557861748 931727222 /nfs/dbraw/zinc/72/72/22/931727222.db2.gz OAUCANWALPEULT-UHFFFAOYSA-N -1 0 393.170 3.521 20 5 GHBDRM CC(C)(C)OC(=O)N1CCc2c1cccc2NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000797079275 932172969 /nfs/dbraw/zinc/17/29/69/932172969.db2.gz AQSYQPFUXLZBFJ-UHFFFAOYSA-N -1 0 399.403 3.850 20 5 GHBDRM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000797816870 932415320 /nfs/dbraw/zinc/41/53/20/932415320.db2.gz KLEWRACWJZIABW-UHFFFAOYSA-N -1 0 399.812 3.536 20 5 GHBDRM COc1ccc([C@@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])cc1Br ZINC000559147033 932462044 /nfs/dbraw/zinc/46/20/44/932462044.db2.gz KFCPZIFJYKVHMR-SNVBAGLBSA-N -1 0 381.226 3.922 20 5 GHBDRM C[C@@H](OC(=O)c1cc([S-])ccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000798718883 932753386 /nfs/dbraw/zinc/75/33/86/932753386.db2.gz HMCZKYBHBHUAQW-SECBINFHSA-N -1 0 389.364 3.991 20 5 GHBDRM COc1cc(/C=C\c2cc(C(=O)[O-])ccn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000559938614 932972611 /nfs/dbraw/zinc/97/26/11/932972611.db2.gz BIXJUUJBXJBXQC-IHWYPQMZSA-N -1 0 398.293 3.808 20 5 GHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC(Nc2ccccc2)CC1 ZINC001118217875 934111451 /nfs/dbraw/zinc/11/14/51/934111451.db2.gz CULPHRSWDVXTCV-UHFFFAOYSA-N -1 0 375.812 3.671 20 5 GHBDRM CCOc1cc(N2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)ccc1[N+](=O)[O-] ZINC001118285953 934127797 /nfs/dbraw/zinc/12/77/97/934127797.db2.gz ZZSONSYQUXKOEC-CABCVRRESA-N -1 0 392.358 3.576 20 5 GHBDRM CCCCNc1nc(CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cs1 ZINC001137825402 935809734 /nfs/dbraw/zinc/80/97/34/935809734.db2.gz KELIAUIRWYSBDF-UHFFFAOYSA-N -1 0 384.845 3.804 20 5 GHBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)cc1[N+](=O)[O-] ZINC000830008484 935889300 /nfs/dbraw/zinc/88/93/00/935889300.db2.gz CPNWBEDFZCAEMX-CYBMUJFWSA-N -1 0 396.852 3.861 20 5 GHBDRM Cc1nc(SCC(C)C)sc1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001138013104 935927616 /nfs/dbraw/zinc/92/76/16/935927616.db2.gz GBLPSHSILDRVFC-UHFFFAOYSA-N -1 0 381.479 3.995 20 5 GHBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000830427093 935943784 /nfs/dbraw/zinc/94/37/84/935943784.db2.gz DDWXYGALCBSSBE-INIZCTEOSA-N -1 0 390.440 3.598 20 5 GHBDRM O=C([O-])c1cccnc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001594820662 953895039 /nfs/dbraw/zinc/89/50/39/953895039.db2.gz IWLZHYASKFSWRO-UHFFFAOYSA-N -1 0 392.371 3.552 20 5 GHBDRM O=C([O-])c1ccsc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001594822159 953908612 /nfs/dbraw/zinc/90/86/12/953908612.db2.gz MARCWMULKBDOKW-UHFFFAOYSA-N -1 0 375.387 3.730 20 5 GHBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H](C)c2ccc(-c3ccccc3)cc2)c1[N+](=O)[O-] ZINC001226648296 1032063054 /nfs/dbraw/zinc/06/30/54/1032063054.db2.gz CUOWIVAGKODLPS-LBPRGKRZSA-N -1 0 395.371 3.684 20 5 GHBDRM Cc1cc(C(=O)[O-])cc(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)c1 ZINC001594289514 957815023 /nfs/dbraw/zinc/81/50/23/957815023.db2.gz UEXNFUCSSIUAPB-UHFFFAOYSA-N -1 0 394.177 3.721 20 5 GHBDRM C[C@](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001573622055 959516313 /nfs/dbraw/zinc/51/63/13/959516313.db2.gz CPVLBVAHGLTXOY-MRXNPFEDSA-N -1 0 383.187 3.631 20 5 GHBDRM CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC001603812528 974289892 /nfs/dbraw/zinc/28/98/92/974289892.db2.gz VHZVNMIOIFGKCN-HXUWFJFHSA-N -1 0 386.404 3.534 20 5 GHBDRM CC(C)Oc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)ccc1[N+](=O)[O-] ZINC001591751345 975804259 /nfs/dbraw/zinc/80/42/59/975804259.db2.gz QUBAVEZLKRRLNE-UHFFFAOYSA-N -1 0 378.768 3.986 20 5 GHBDRM CC(C)c1ccc(C(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001591942600 976471481 /nfs/dbraw/zinc/47/14/81/976471481.db2.gz VPIWSLXJMRYGSB-HXUWFJFHSA-N -1 0 388.395 3.673 20 5 GHBDRM CC(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])cn1 ZINC001591967529 976564656 /nfs/dbraw/zinc/56/46/56/976564656.db2.gz DYSZDHGFZGSCKV-UHFFFAOYSA-N -1 0 389.433 3.932 20 5 GHBDRM C[C@@H](CC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc21 ZINC001592242812 977463197 /nfs/dbraw/zinc/46/31/97/977463197.db2.gz MVVGCOFMQFCVKL-YEJXKQKISA-N -1 0 395.415 3.686 20 5 GHBDRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC001592305039 977669447 /nfs/dbraw/zinc/66/94/47/977669447.db2.gz VTNBWOBWWIGILN-KRWDZBQOSA-N -1 0 380.759 3.507 20 5 GHBDRM C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC001592675283 979088760 /nfs/dbraw/zinc/08/87/60/979088760.db2.gz PRXYMWQXYIAWBO-LBPRGKRZSA-N -1 0 394.387 3.766 20 5 GHBDRM C[C@](CNc1c(Br)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001592723261 979230030 /nfs/dbraw/zinc/23/00/30/979230030.db2.gz UQQQNARMMUVUOK-MRXNPFEDSA-N -1 0 379.210 3.812 20 5 GHBDRM CCNc1ccc(C(=O)N[C@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)cc1[N+](=O)[O-] ZINC001596501484 984256286 /nfs/dbraw/zinc/25/62/86/984256286.db2.gz WOUZHKDCZHFBDC-YEJXKQKISA-N -1 0 397.431 3.634 20 5 GHBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001589003365 984952205 /nfs/dbraw/zinc/95/22/05/984952205.db2.gz YPIBVJZVCIAEAK-UKTHLTGXSA-N -1 0 386.429 3.955 20 5 GHBDRM Cc1c(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC001599979043 986135861 /nfs/dbraw/zinc/13/58/61/986135861.db2.gz RRORXEVTSRTMSJ-CQSZACIVSA-N -1 0 396.321 3.868 20 5 GHBDRM C[C@@H](C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC001589353408 986330080 /nfs/dbraw/zinc/33/00/80/986330080.db2.gz XPUPIOGKBKHNNF-OAHLLOKOSA-N -1 0 396.443 3.878 20 5 GHBDRM CCOc1cc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001597042567 986494153 /nfs/dbraw/zinc/49/41/53/986494153.db2.gz WOYDCDDXUXSFPG-SJCJKPOMSA-N -1 0 387.392 3.577 20 5 GHBDRM C[C@@H](C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)c1cccc([N+](=O)[O-])c1 ZINC001589444267 986797703 /nfs/dbraw/zinc/79/77/03/986797703.db2.gz JYPUXGMKXXCWFN-SECBINFHSA-N -1 0 377.422 3.789 20 5 GHBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001597164018 986977644 /nfs/dbraw/zinc/97/76/44/986977644.db2.gz VEXQPVJXTHFEBQ-UHFFFAOYSA-N -1 0 390.417 3.564 20 5 GHBDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)cc1 ZINC001589637525 987556533 /nfs/dbraw/zinc/55/65/33/987556533.db2.gz DNMMCIQQQDOGSZ-UHFFFAOYSA-N -1 0 392.799 3.837 20 5 GHBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001597563763 988319179 /nfs/dbraw/zinc/31/91/79/988319179.db2.gz VTUGDOZCDMKVEP-INIZCTEOSA-N -1 0 385.420 3.531 20 5 GHBDRM CC(C)(C)OC(=O)CCc1cccc(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC001589877674 988539179 /nfs/dbraw/zinc/53/91/79/988539179.db2.gz CAJJSTXOAYYOQD-UHFFFAOYSA-N -1 0 387.392 3.706 20 5 GHBDRM CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1(C(=O)[O-])CCCCC1 ZINC001598077588 990383577 /nfs/dbraw/zinc/38/35/77/990383577.db2.gz MJVDWPWRMNSZFU-UHFFFAOYSA-N -1 0 375.208 3.761 20 5 GHBDRM CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001590949330 991006362 /nfs/dbraw/zinc/00/63/62/991006362.db2.gz PBORZKBYPHBIPV-GFCCVEGCSA-N -1 0 384.388 3.874 20 5 GHBDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001598300084 991241050 /nfs/dbraw/zinc/24/10/50/991241050.db2.gz CBMNQNYPXFWZMU-UHFFFAOYSA-N -1 0 397.309 3.630 20 5 GHBDRM CN(C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001598371116 991542198 /nfs/dbraw/zinc/54/21/98/991542198.db2.gz SXBWWVCCLIYNCB-UHFFFAOYSA-N -1 0 398.481 3.518 20 5 GHBDRM CC(C)C[C@H](NC(=O)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC001591173625 991965588 /nfs/dbraw/zinc/96/55/88/991965588.db2.gz JPODXQMNSIFRAW-KRWDZBQOSA-N -1 0 386.404 3.575 20 5 GHBDRM CC(C)CCc1ccc(S(=O)(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001591270278 992188968 /nfs/dbraw/zinc/18/89/68/992188968.db2.gz NZMRSTVFEAEIFO-UHFFFAOYSA-N -1 0 393.417 3.649 20 5 GHBDRM CN(CCc1ccc(Br)cc1)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001598500550 992431049 /nfs/dbraw/zinc/43/10/49/992431049.db2.gz HZARPBGDIYWLAA-UHFFFAOYSA-N -1 0 393.237 3.663 20 5 GHBDRM CN(Cc1csc([N+](=O)[O-])c1)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598536459 992844773 /nfs/dbraw/zinc/84/47/73/992844773.db2.gz XDVWFVIVLHPTCH-LLVKDONJSA-N -1 0 391.268 3.738 20 5 GHBDRM C[C@@H](Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])[C@H](C)NC(=O)OC(C)(C)C ZINC001593131816 993885415 /nfs/dbraw/zinc/88/54/15/993885415.db2.gz SLABXNXOEALWMN-BDAKNGLRSA-N -1 0 387.820 3.660 20 5 GHBDRM C[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC001593298997 994717979 /nfs/dbraw/zinc/71/79/79/994717979.db2.gz PBELNXZJNVCJTO-LLVKDONJSA-N -1 0 393.465 3.663 20 5 GHBDRM CNc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001598678877 994893903 /nfs/dbraw/zinc/89/39/03/994893903.db2.gz OHVVTXNFNYLIBC-AWEZNQCLSA-N -1 0 398.293 3.638 20 5 GHBDRM C[C@H](O)[C@](C)(CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])Cc1ccccc1 ZINC001593426971 995233825 /nfs/dbraw/zinc/23/38/25/995233825.db2.gz UYDZWLFWKUBUHC-BUXKBTBVSA-N -1 0 392.839 3.988 20 5 GHBDRM C[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1cc(C(=O)[O-])co1 ZINC001593573831 995676275 /nfs/dbraw/zinc/67/62/75/995676275.db2.gz XQZUXNDEORSPBV-SSDOTTSWSA-N -1 0 384.138 3.567 20 5 GHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001593667719 996059076 /nfs/dbraw/zinc/05/90/76/996059076.db2.gz RUZDMBPAWSAABR-SECBINFHSA-N -1 0 392.458 3.963 20 5 GHBDRM COC(=O)/C=C/c1ccc(OC)c(Oc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001598835271 996478523 /nfs/dbraw/zinc/47/85/23/996478523.db2.gz VZSBKMDZRDBPMS-VTBWALSUSA-N -1 0 399.355 3.680 20 5 GHBDRM COc1cc(Cc2noc(-c3cc(C(=O)[O-])ccc3Cl)n2)ccc1[N+](=O)[O-] ZINC001599418615 997554787 /nfs/dbraw/zinc/55/47/87/997554787.db2.gz RLFRGGGRWMKZIZ-UHFFFAOYSA-N -1 0 389.751 3.596 20 5 GHBDRM Cc1ccc(N2C(=O)N[C@H](c3ccc([N+](=O)[O-])cc3)C(C(=O)[O-])=C2C)c(C)c1 ZINC001594097913 998075155 /nfs/dbraw/zinc/07/51/55/998075155.db2.gz JRVCQNFGOXRHQD-GOSISDBHSA-N -1 0 381.388 3.841 20 5 GHBDRM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC001598955999 998241510 /nfs/dbraw/zinc/24/15/10/998241510.db2.gz XYELSYYJBBVRBH-CQSZACIVSA-N -1 0 392.795 3.624 20 5 GHBDRM COc1ccc(CNc2ncc(Cc3cccc(C(=O)[O-])c3)s2)cc1[N+](=O)[O-] ZINC001599575412 998435087 /nfs/dbraw/zinc/43/50/87/998435087.db2.gz XZPHXFRFLOLLEE-UHFFFAOYSA-N -1 0 399.428 3.961 20 5 GHBDRM CCOC(=O)c1ccc(OC(=C([O-])c2ccco2)c2ccco2)c([N+](=O)[O-])c1 ZINC001227297078 1032359819 /nfs/dbraw/zinc/35/98/19/1032359819.db2.gz KFTAJDQDYJKIDT-SFHVURJKSA-N -1 0 385.328 3.961 20 5 GHBDRM O=c1oc2cc([O-])ccc2c2oc3cc(O[C@@H]4CCc5nccn5C4)ccc3c21 ZINC001227516800 1032449080 /nfs/dbraw/zinc/44/90/80/1032449080.db2.gz FMBQGTUJBZRJDG-CQSZACIVSA-N -1 0 388.379 3.988 20 5 GHBDRM Cc1ccc(C(=O)c2cc(O)c(O[C@@H](C)c3ncccn3)c([N+](=O)[O-])c2)cc1 ZINC001227699687 1032521621 /nfs/dbraw/zinc/52/16/21/1032521621.db2.gz ITCBETDXJUJUKT-ZDUSSCGKSA-N -1 0 379.372 3.770 20 5 GHBDRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047521544 1020033857 /nfs/dbraw/zinc/03/38/57/1020033857.db2.gz UQYIHCZWPXMFNM-UHFFFAOYSA-N -1 0 377.205 3.711 20 5 GHBDRM O=C([O-])[C@H](Cc1cccc2ccccc21)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000578708973 1020356283 /nfs/dbraw/zinc/35/62/83/1020356283.db2.gz WLWQRRNDJFHRIS-SFHVURJKSA-N -1 0 397.362 3.705 20 5 GHBDRM CC(C)Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000756092457 1023518751 /nfs/dbraw/zinc/51/87/51/1023518751.db2.gz CPEGUKWSEQBVOP-UHFFFAOYSA-N -1 0 396.852 3.565 20 5 GHBDRM CC(C)Oc1cc(COc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])c(F)cn1 ZINC001228859570 1033143124 /nfs/dbraw/zinc/14/31/24/1033143124.db2.gz KZOWFHVRAYNMFB-UHFFFAOYSA-N -1 0 391.277 3.615 20 5 GHBDRM CN(C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])[C@@H]1CCC(C)(C)C1 ZINC000831009801 1024304906 /nfs/dbraw/zinc/30/49/06/1024304906.db2.gz GRZPUMBNPQMLHA-GFCCVEGCSA-N -1 0 392.843 3.790 20 5 GHBDRM COC(=O)[C@@](C)([N-]c1cc2ccc(Cl)nc2cc1[N+](=O)[O-])C(F)(F)F ZINC001162259737 1025694702 /nfs/dbraw/zinc/69/47/02/1025694702.db2.gz CSZCDQZUYMLTGD-CYBMUJFWSA-N -1 0 377.706 3.702 20 5 GHBDRM COc1ccc(I)cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210398019 1027488641 /nfs/dbraw/zinc/48/86/41/1027488641.db2.gz MPUPUSVDQDGIPK-UHFFFAOYSA-N -1 0 386.145 3.657 20 5 GHBDRM O=C(OCc1ccccc1)c1cc([N-]c2nonc2C2CC2)cc([N+](=O)[O-])c1 ZINC001211407764 1027945915 /nfs/dbraw/zinc/94/59/15/1027945915.db2.gz XMJLZGBXDPHBJV-UHFFFAOYSA-N -1 0 380.360 3.956 20 5 GHBDRM O=[N+]([O-])c1ncc(-c2nc(-c3cccc(OCc4ccccc4)c3)no2)cc1[O-] ZINC001213596286 1028286926 /nfs/dbraw/zinc/28/69/26/1028286926.db2.gz VZCFEPVODQKBEG-UHFFFAOYSA-N -1 0 390.355 3.991 20 5 GHBDRM O=[N+]([O-])c1ccc(F)c(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)c1F ZINC001215295164 1029136497 /nfs/dbraw/zinc/13/64/97/1029136497.db2.gz SUJYRFACPUUADX-UHFFFAOYSA-N -1 0 396.327 3.722 20 5 GHBDRM CC1(C)CC(=O)c2ccc(-c3noc(-c4cccc([N+](=O)[O-])c4[O-])n3)cc2O1 ZINC001216700788 1029734396 /nfs/dbraw/zinc/73/43/96/1029734396.db2.gz NEKBCFQGIHFUMY-UHFFFAOYSA-N -1 0 381.344 3.761 20 5 GHBDRM COc1cc(Cl)c(-c2noc(-c3cccc([N+](=O)[O-])c3[O-])n2)cc1OC ZINC001216700783 1029734654 /nfs/dbraw/zinc/73/46/54/1029734654.db2.gz MYOAYJAVPMXWLT-UHFFFAOYSA-N -1 0 377.740 3.688 20 5 GHBDRM COc1ccc(-c2noc(-c3cc(OC)c([O-])c([N+](=O)[O-])c3)n2)c(Cl)c1 ZINC001216836948 1029955741 /nfs/dbraw/zinc/95/57/41/1029955741.db2.gz CQVPAUBWSNPRHO-UHFFFAOYSA-N -1 0 377.740 3.688 20 5 GHBDRM O=c1c(-c2nc(-c3cc(F)cc(F)c3F)no2)c[n-]c2ccc([N+](=O)[O-])cc21 ZINC001217439339 1030393494 /nfs/dbraw/zinc/39/34/94/1030393494.db2.gz WCMGZVXGZRROJF-UHFFFAOYSA-N -1 0 388.261 3.571 20 5 GHBDRM O=c1cc(-c2nc(-c3cc(Cl)ccc3F)no2)[n-]c2ccc([N+](=O)[O-])cc12 ZINC001217510145 1030453002 /nfs/dbraw/zinc/45/30/02/1030453002.db2.gz VLNVYHNYZIJKCE-UHFFFAOYSA-N -1 0 386.726 3.946 20 5 GHBDRM O=C(c1cccs1)[C@@H](Oc1[n-]c(=O)nc(Cl)c1[N+](=O)[O-])c1cccs1 ZINC001231071260 1034376720 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396.831 3.901 20 5 GHBDRM O=[N+]([O-])C[C@@H](Oc1ccc2[n-]c(=S)sc2c1)c1ccc2c(c1)OCO2 ZINC001234424335 1040025028 /nfs/dbraw/zinc/02/50/28/1040025028.db2.gz KBMPFKYBLHBTOG-CQSZACIVSA-N -1 0 376.415 3.711 20 5 GHBDRM COc1ccc(C2(CNC(=O)c3cc([O-])cc([N+](=O)[O-])c3)CCCCC2)cc1 ZINC001292013289 1043565618 /nfs/dbraw/zinc/56/56/18/1043565618.db2.gz OEVJVDQNNOJELD-UHFFFAOYSA-N -1 0 384.432 3.941 20 5 GHBDRM O=C(Nc1c(F)cccc1N1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001292841850 1043908396 /nfs/dbraw/zinc/90/83/96/1043908396.db2.gz RIVSTURFJHIQCQ-UHFFFAOYSA-N -1 0 379.775 3.945 20 5 GHBDRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc2nc3ccccc3cc2c1 ZINC001258432213 1044562968 /nfs/dbraw/zinc/56/29/68/1044562968.db2.gz WDFNJVBGSIJWRL-UHFFFAOYSA-N -1 0 386.864 3.884 20 5 GHBDRM C[C@@H]1CCCN(c2cc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])ccn2)C1 ZINC001295615028 1045072312 /nfs/dbraw/zinc/07/23/12/1045072312.db2.gz RGJNQHCMGDHGBO-LLVKDONJSA-N -1 0 390.827 3.837 20 5 GHBDRM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccc3nc4ccccc4cc3c2)s1 ZINC001260707272 1045617958 /nfs/dbraw/zinc/61/79/58/1045617958.db2.gz LTTYMHGQBYTJMB-UHFFFAOYSA-N -1 0 398.469 3.604 20 5 GHBDRM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(F)ccc(Br)c2F)c1 ZINC001289428204 1049485051 /nfs/dbraw/zinc/48/50/51/1049485051.db2.gz ZEIYATOWVKPFHF-UHFFFAOYSA-N -1 0 387.136 3.896 20 5 GHBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001309095545 1050347771 /nfs/dbraw/zinc/34/77/71/1050347771.db2.gz DZMPRPYAWRHMEJ-UHFFFAOYSA-N -1 0 384.841 3.553 20 5 GHBDRM CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1ccccn1 ZINC001309873257 1051016417 /nfs/dbraw/zinc/01/64/17/1051016417.db2.gz WCNMOAPPSWKCAG-JTQLQIEISA-N -1 0 390.248 3.726 20 5 GHBDRM Cc1ccc(CC2CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CC2)cc1 ZINC001320758903 1055951224 /nfs/dbraw/zinc/95/12/24/1055951224.db2.gz JQIXHDGJDRNHMT-UHFFFAOYSA-N -1 0 382.416 3.696 20 5 GHBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n(-c2cccc(C)c2)n1 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0 385.601 3.646 20 5 GHBDRM COc1ccc([C@@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C2CCC2)cc1 ZINC001464724044 1065177224 /nfs/dbraw/zinc/17/72/24/1065177224.db2.gz QPQXQKQATZWXNO-KRWDZBQOSA-N -1 0 394.424 3.562 20 5 GHBDRM COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c(OC2CCCC2)c1 ZINC001465638319 1065761848 /nfs/dbraw/zinc/76/18/48/1065761848.db2.gz SSEOZZRQLMBQSI-UHFFFAOYSA-N -1 0 386.404 3.560 20 5 GHBDRM CC(C)(C)OC(=O)C1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC001466127484 1065991307 /nfs/dbraw/zinc/99/13/07/1065991307.db2.gz WJPZVURBJYWFOU-UHFFFAOYSA-N -1 0 398.843 3.584 20 5 GHBDRM CC(C)(C)OC(=O)NCC1(CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC001546162293 1067267861 /nfs/dbraw/zinc/26/78/61/1067267861.db2.gz DAWUSNAKDSHXDQ-UHFFFAOYSA-N -1 0 399.831 3.587 20 5 GHBDRM Cc1[nH]nc(C(=O)[N-]c2nnc(-c3cc(Cl)cc(Cl)c3)s2)c1[N+](=O)[O-] ZINC001470019957 1068526884 /nfs/dbraw/zinc/52/68/84/1068526884.db2.gz INXBXSHYCGKSJC-UHFFFAOYSA-N -1 0 399.219 3.704 20 5 GHBDRM C[C@@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001471259755 1072987130 /nfs/dbraw/zinc/98/71/30/1072987130.db2.gz MBDWDYOKGSCMHQ-IBGZPJMESA-N -1 0 376.359 3.816 20 5 GHBDRM O=C(NCc1cc2cc(Br)ccc2o1)c1cccc([N+](=O)[O-])c1[O-] ZINC001471632808 1073165120 /nfs/dbraw/zinc/16/51/20/1073165120.db2.gz OLUPAMURLQBQBE-UHFFFAOYSA-N -1 0 391.177 3.739 20 5 GHBDRM O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1ccc(Br)cc1[O-] ZINC001472588485 1073563568 /nfs/dbraw/zinc/56/35/68/1073563568.db2.gz DTSQWRJAKNTZOH-UHFFFAOYSA-N -1 0 388.177 3.863 20 5 GHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCc2cc(F)c(Br)cc2C1 ZINC001473826472 1074161847 /nfs/dbraw/zinc/16/18/47/1074161847.db2.gz GUHXNLQFFNXSCY-UHFFFAOYSA-N -1 0 381.201 3.760 20 5 GHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)ccc1[O-] ZINC001474949570 1074647075 /nfs/dbraw/zinc/64/70/75/1074647075.db2.gz MRIPMRREDUZUFT-KRWDZBQOSA-N -1 0 396.852 3.774 20 5 GHBDRM CCCn1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1 ZINC001475271703 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GHBDRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000833226645 604936660 /nfs/dbraw/zinc/93/66/60/604936660.db2.gz OPGZTZSYXSOPOS-UHFFFAOYSA-N -1 0 376.796 3.755 20 5 GHBDRM CC(C)(C)C[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000833428883 605232577 /nfs/dbraw/zinc/23/25/77/605232577.db2.gz BEKZJXSBPQESNS-CYBMUJFWSA-N -1 0 378.406 3.765 20 5 GHBDRM Cc1cc(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])ccc1N1CCOCC1 ZINC000833746612 605268194 /nfs/dbraw/zinc/26/81/94/605268194.db2.gz DSDCUQSLHYMJPV-CLTKARDFSA-N -1 0 383.404 3.581 20 5 GHBDRM CC(C)(C)c1nc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)sc1C(=O)[O-] ZINC000833450636 605295672 /nfs/dbraw/zinc/29/56/72/605295672.db2.gz GVGNUISJLWZXCI-UHFFFAOYSA-N -1 0 399.375 3.778 20 5 GHBDRM CCCN(C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1)C1CCN(C(=O)[O-])CC1 ZINC000826866712 605650719 /nfs/dbraw/zinc/65/07/19/605650719.db2.gz QOGCMSMJCZODGM-QGZVFWFLSA-N -1 0 392.456 3.610 20 5 GHBDRM