smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1[N+](=O)[O-] ZINC000426802308 974048974 /nfs/dbraw/zinc/04/89/74/974048974.db2.gz VMKJGIWJTLEFFM-QGZVFWFLSA-N -1 1 346.358 3.773 20 5 EHBDMM Cc1oc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1C(=O)[O-] ZINC000565103651 974569130 /nfs/dbraw/zinc/56/91/30/974569130.db2.gz NWTWSAGWWMTATM-UHFFFAOYSA-N -1 1 332.356 3.605 20 5 EHBDMM CN(CCc1cccc([N+](=O)[O-])c1)Cc1c(Cl)cccc1C(=O)[O-] ZINC001598501135 992435974 /nfs/dbraw/zinc/43/59/74/992435974.db2.gz FGCYLQDWIFLAIN-UHFFFAOYSA-N -1 1 348.786 3.621 20 5 EHBDMM O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])[n-]1 ZINC000609527151 1022480692 /nfs/dbraw/zinc/48/06/92/1022480692.db2.gz OVALTYDHRAUEKG-UHFFFAOYSA-N -1 1 347.334 3.719 20 5 EHBDMM O=[N+]([O-])c1cccc(CCc2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445444391 1028800472 /nfs/dbraw/zinc/80/04/72/1028800472.db2.gz FLQSQPMYUNDMJP-UHFFFAOYSA-N -1 1 345.742 3.789 20 5 EHBDMM O=[N+]([O-])c1ccc(Cc2nc(-c3ccc([O-])c(F)c3)no2)c(Cl)c1 ZINC000445482956 1028843189 /nfs/dbraw/zinc/84/31/89/1028843189.db2.gz UIDDQLUMZJNTBP-UHFFFAOYSA-N -1 1 349.705 3.734 20 5 EHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(C)C)c1 ZINC000016126946 1028908671 /nfs/dbraw/zinc/90/86/71/1028908671.db2.gz BDCBUCDIIPFQLA-UHFFFAOYSA-N -1 1 334.397 3.827 20 5 EHBDMM CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1OCCC ZINC000340475762 1031004481 /nfs/dbraw/zinc/00/44/81/1031004481.db2.gz APOGQSZAYWXKHG-UHFFFAOYSA-N -1 1 347.371 3.753 20 5 EHBDMM CCc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000574636819 1033331020 /nfs/dbraw/zinc/33/10/20/1033331020.db2.gz DFRFPDKYQVLKFF-UHFFFAOYSA-N -1 1 334.397 3.575 20 5 EHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000534206577 1034233846 /nfs/dbraw/zinc/23/38/46/1034233846.db2.gz HQVFROXCXGLOJH-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ccc(F)c(F)c1F ZINC000152391212 1036523750 /nfs/dbraw/zinc/52/37/50/1036523750.db2.gz IQLWGADUVPCCFI-UHFFFAOYSA-N -1 1 332.184 3.543 20 5 EHBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cnc(-c2cccnc2)s1 ZINC000761509572 1037082480 /nfs/dbraw/zinc/08/24/80/1037082480.db2.gz BEJRRXQIGBSHHU-UHFFFAOYSA-N -1 1 344.327 3.505 20 5 EHBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000462781360 1037383199 /nfs/dbraw/zinc/38/31/99/1037383199.db2.gz RWYCRARSCBNYMZ-GFCCVEGCSA-N -1 1 332.331 3.647 20 5 EHBDMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000031555861 1037689776 /nfs/dbraw/zinc/68/97/76/1037689776.db2.gz NSLGDPXURAMEPQ-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM CCc1nc(SCc2ccc([N+](=O)[O-])cc2Cl)[n-]c(=O)c1C ZINC000584666342 1039418451 /nfs/dbraw/zinc/41/84/51/1039418451.db2.gz RUSFJLMSPXEHRG-UHFFFAOYSA-N -1 1 339.804 3.907 20 5 EHBDMM COc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(Cl)c1[O-] ZINC000344894819 1044668808 /nfs/dbraw/zinc/66/88/08/1044668808.db2.gz CBYXGHVKVOIHGT-UHFFFAOYSA-N -1 1 336.731 3.523 20 5 EHBDMM Cc1ccc(C)n1C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000332441210 1137944065 /nfs/dbraw/zinc/94/40/65/1137944065.db2.gz HZMPUIKNNNUJGS-UHFFFAOYSA-N -1 1 329.400 3.556 20 5 EHBDMM CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000264183945 1138436593 /nfs/dbraw/zinc/43/65/93/1138436593.db2.gz FFPYMWQBXHOQMT-UHFFFAOYSA-N -1 1 346.343 3.522 20 5 EHBDMM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000031555851 202207352 /nfs/dbraw/zinc/20/73/52/202207352.db2.gz HAVJILKXFODFES-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000833680789 605177034 /nfs/dbraw/zinc/17/70/34/605177034.db2.gz OCFIDDJFLKVYKG-LLVKDONJSA-N -1 1 332.356 3.608 20 5 EHBDMM CC(C)(C(=O)[O-])[C@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000833414483 605184423 /nfs/dbraw/zinc/18/44/23/605184423.db2.gz NZTPOOCYJSOOCS-MRXNPFEDSA-N -1 1 346.358 3.676 20 5 EHBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000593744128 953754988 /nfs/dbraw/zinc/75/49/88/953754988.db2.gz NFAQAURRSNAIFH-ACJLOTCBSA-N -1 1 340.379 3.648 20 5 EHBDMM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414674025 973947162 /nfs/dbraw/zinc/94/71/62/973947162.db2.gz DQRYQSAAWJAHPK-LBPRGKRZSA-N -1 1 332.356 3.540 20 5 EHBDMM Cc1cc(C)cc([C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C(=O)[O-])c1 ZINC000756391728 978700066 /nfs/dbraw/zinc/70/00/66/978700066.db2.gz ZFCFXPHTUTXSJZ-MRXNPFEDSA-N -1 1 348.786 3.781 20 5 EHBDMM CC[C@@H](NCc1cc(C(=O)[O-])ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC001597291718 987381886 /nfs/dbraw/zinc/38/18/86/987381886.db2.gz TUXVAFRQHYFORV-MRXNPFEDSA-N -1 1 344.367 3.543 20 5 EHBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC2(CCCC2)c2cccc(F)c21 ZINC000278775387 1033136055 /nfs/dbraw/zinc/13/60/55/1033136055.db2.gz XZRZRSHLCULFIY-UHFFFAOYSA-N -1 1 329.331 3.534 20 5 EHBDMM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000560013315 1026230289 /nfs/dbraw/zinc/23/02/89/1026230289.db2.gz VUKGRODHNJBHML-UHFFFAOYSA-N -1 1 334.397 3.693 20 5 EHBDMM Cc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445450903 1028783313 /nfs/dbraw/zinc/78/33/13/1028783313.db2.gz YDKVUFUQSKBCIQ-UHFFFAOYSA-N -1 1 331.715 3.979 20 5 EHBDMM O=[N+]([O-])c1ccc(SCc2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445458225 1028829340 /nfs/dbraw/zinc/82/93/40/1028829340.db2.gz XAKLQSHMVUKQNH-UHFFFAOYSA-N -1 1 347.327 3.782 20 5 EHBDMM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1[N+](=O)[O-] ZINC000534206735 1034234316 /nfs/dbraw/zinc/23/43/16/1034234316.db2.gz IZZHIFZEJRROJU-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM CC(C)(C)CN(CC(=O)[O-])Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000596655813 1034330909 /nfs/dbraw/zinc/33/09/09/1034330909.db2.gz BBMQFYPIJDBLKY-UHFFFAOYSA-N -1 1 346.383 3.788 20 5 EHBDMM Cc1nc(SCc2c(Cl)cccc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000488755664 1039372836 /nfs/dbraw/zinc/37/28/36/1039372836.db2.gz TUIVXTKYYNRJHZ-UHFFFAOYSA-N -1 1 325.777 3.653 20 5 EHBDMM CCOc1cc(CSc2nc(CC)c(C)c(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000566498678 1040157136 /nfs/dbraw/zinc/15/71/36/1040157136.db2.gz GDTGXSUSKCVEHE-UHFFFAOYSA-N -1 1 349.412 3.652 20 5 EHBDMM COc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000487219024 1040823578 /nfs/dbraw/zinc/82/35/78/1040823578.db2.gz BONSSCGJBTUVII-UHFFFAOYSA-N -1 1 337.719 3.606 20 5 EHBDMM Cc1c(CSc2nc(C(F)(F)F)cc(=O)[n-]2)cccc1[N+](=O)[O-] ZINC000261385532 1043422396 /nfs/dbraw/zinc/42/23/96/1043422396.db2.gz BIGGKOJUPODLIQ-UHFFFAOYSA-N -1 1 345.302 3.710 20 5 EHBDMM O=C(Nc1ccc(Cl)cc1[O-])c1ccc([N+](=O)[O-])cc1Cl ZINC000153466611 1127155748 /nfs/dbraw/zinc/15/57/48/1127155748.db2.gz SIEXKMWJYPPCOD-UHFFFAOYSA-N -1 1 327.123 3.860 20 5 EHBDMM Cc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)c(C)c1 ZINC000091054483 1128441605 /nfs/dbraw/zinc/44/16/05/1128441605.db2.gz ZQPZYWUPNWNXHS-UHFFFAOYSA-N -1 1 334.397 3.629 20 5 EHBDMM Cc1csc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)n1 ZINC000338696515 1128654032 /nfs/dbraw/zinc/65/40/32/1128654032.db2.gz GCTUMPZQVQAEOK-UHFFFAOYSA-N -1 1 328.353 3.607 20 5 EHBDMM O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1[O-] ZINC000730358475 1130703008 /nfs/dbraw/zinc/70/30/08/1130703008.db2.gz BYPDCNLDDFAMGT-UHFFFAOYSA-N -1 1 342.134 3.964 20 5 EHBDMM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1c([O-])cccc1Cl ZINC000740127841 1131521388 /nfs/dbraw/zinc/52/13/88/1131521388.db2.gz IFRQHKXRNFJFLK-UHFFFAOYSA-N -1 1 348.786 3.707 20 5 EHBDMM Cc1ccc(F)c(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c1F ZINC000766317430 1132114310 /nfs/dbraw/zinc/11/43/10/1132114310.db2.gz LOZZSLZVCYLWJL-UHFFFAOYSA-N -1 1 328.221 3.712 20 5 EHBDMM O=C([N-]c1cccc([N+](=O)[O-])c1Cl)c1c(F)ccc(F)c1F ZINC000813247038 1136309099 /nfs/dbraw/zinc/30/90/99/1136309099.db2.gz LUQVZPJRDQRHIU-UHFFFAOYSA-N -1 1 330.649 3.918 20 5 EHBDMM CC(C)(CCC(=O)Nc1cc(Cl)c([O-])c2ccccc12)[N+](=O)[O-] ZINC000862295893 1137137695 /nfs/dbraw/zinc/13/76/95/1137137695.db2.gz VKVHQXWNXMHZCG-UHFFFAOYSA-N -1 1 336.775 3.973 20 5 EHBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000820455671 606644615 /nfs/dbraw/zinc/64/46/15/606644615.db2.gz LBVGACCKYGLYMA-VIFPVBQESA-N -1 1 344.762 3.601 20 5 EHBDMM Cc1oc(C(=O)[O-])cc1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000572370311 974746480 /nfs/dbraw/zinc/74/64/80/974746480.db2.gz LUYQNVHOLAWRMI-UHFFFAOYSA-N -1 1 332.356 3.605 20 5 EHBDMM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1cc(-c2cccc(F)c2)no1 ZINC000547766044 1016028399 /nfs/dbraw/zinc/02/83/99/1016028399.db2.gz NCVCOADLBLMDEE-UHFFFAOYSA-N -1 1 345.261 3.780 20 5 EHBDMM COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc(C)c2[O-])c1 ZINC000175837018 1019949089 /nfs/dbraw/zinc/94/90/89/1019949089.db2.gz YJXGBJJUWFRSLP-UHFFFAOYSA-N -1 1 336.731 3.523 20 5 EHBDMM COc1c(-c2nc(-c3ccc([O-])cc3Cl)no2)cccc1[N+](=O)[O-] ZINC000436873762 1021316798 /nfs/dbraw/zinc/31/67/98/1021316798.db2.gz QXAHLONTEUVFLP-UHFFFAOYSA-N -1 1 347.714 3.679 20 5 EHBDMM CCc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000519202608 1021931091 /nfs/dbraw/zinc/93/10/91/1021931091.db2.gz CMVXEEARUUHQOE-UHFFFAOYSA-N -1 1 334.397 3.520 20 5 EHBDMM CC(C)(C)Cc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc2o1 ZINC000519488048 1022129607 /nfs/dbraw/zinc/12/96/07/1022129607.db2.gz QRIKZPXIDQDVQG-UHFFFAOYSA-N -1 1 342.355 3.905 20 5 EHBDMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000135686086 1027697226 /nfs/dbraw/zinc/69/72/26/1027697226.db2.gz RVDUNEPUHMSEJI-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1csc(-c2ccccn2)n1 ZINC000066016951 1035140337 /nfs/dbraw/zinc/14/03/37/1035140337.db2.gz CHEIYHACGJXRQI-UHFFFAOYSA-N -1 1 344.327 3.505 20 5 EHBDMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccccc1[N+](=O)[O-] ZINC000463261504 1037944750 /nfs/dbraw/zinc/94/47/50/1037944750.db2.gz IOJKANKYRMUGGE-ZETCQYMHSA-N -1 1 345.302 3.963 20 5 EHBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000540587981 1038140955 /nfs/dbraw/zinc/14/09/55/1038140955.db2.gz NLSHTCKSYAGLHI-UHFFFAOYSA-N -1 1 336.731 3.605 20 5 EHBDMM O=C(Nc1ccc(COC2CCCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000265764593 1128804546 /nfs/dbraw/zinc/80/45/46/1128804546.db2.gz BNUAVFBPOPMSLO-UHFFFAOYSA-N -1 1 329.356 3.634 20 5 EHBDMM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1c([O-])cc(F)cc1F ZINC000734895236 1131290141 /nfs/dbraw/zinc/29/01/41/1131290141.db2.gz XEXOLQNXAYEJGK-UHFFFAOYSA-N -1 1 343.669 3.589 20 5 EHBDMM O=c1cc(C(F)F)nc(SCc2cc([N+](=O)[O-])ccc2Cl)[n-]1 ZINC000809986767 1135909016 /nfs/dbraw/zinc/90/90/16/1135909016.db2.gz NRWFFFXOMDHPBI-UHFFFAOYSA-N -1 1 347.730 3.974 20 5 EHBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000824657621 607447779 /nfs/dbraw/zinc/44/77/79/607447779.db2.gz RUJZHFVFYYNHAY-SECBINFHSA-N -1 1 344.762 3.601 20 5 EHBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000824657621 607447780 /nfs/dbraw/zinc/44/77/80/607447780.db2.gz RUJZHFVFYYNHAY-SECBINFHSA-N -1 1 344.762 3.601 20 5 EHBDMM O=C([O-])c1sccc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000578899445 604785713 /nfs/dbraw/zinc/78/57/13/604785713.db2.gz UXCWBRMMWQRHBL-UHFFFAOYSA-N -1 1 332.381 3.519 20 5 EHBDMM C[C@H](CSc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC001575185059 952427730 /nfs/dbraw/zinc/42/77/30/952427730.db2.gz KJEWQARQEPZIPH-LLVKDONJSA-N -1 1 341.396 3.671 20 5 EHBDMM C[C@H](CSc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC001575185059 952427732 /nfs/dbraw/zinc/42/77/32/952427732.db2.gz KJEWQARQEPZIPH-LLVKDONJSA-N -1 1 341.396 3.671 20 5 EHBDMM C[C@H](NCc1cc(C(=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC001599901294 984834409 /nfs/dbraw/zinc/83/44/09/984834409.db2.gz HVXRFPJHHRKFPB-JTQLQIEISA-N -1 1 334.759 3.797 20 5 EHBDMM CC(C)(C)c1csc(/C(=C\c2cc(O)ccc2[N+](=O)[O-])C(=O)[O-])n1 ZINC001590527086 990140395 /nfs/dbraw/zinc/14/03/95/990140395.db2.gz RHZUYIBMQBWTHP-YRNVUSSQSA-N -1 1 348.380 3.680 20 5 EHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000536892637 1032402188 /nfs/dbraw/zinc/40/21/88/1032402188.db2.gz GOMZMOVHZYWCGP-UHFFFAOYSA-N -1 1 348.424 3.883 20 5 EHBDMM O=C([O-])C[C@H](NCc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000426816730 1023062991 /nfs/dbraw/zinc/06/29/91/1023062991.db2.gz MEKBGRFXPDBVBF-HNNXBMFYSA-N -1 1 334.759 3.554 20 5 EHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000520038178 1026657044 /nfs/dbraw/zinc/65/70/44/1026657044.db2.gz MKVQZJUWPWBTEW-UHFFFAOYSA-N -1 1 340.788 3.611 20 5 EHBDMM Cc1cc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)c(C)o1 ZINC000342912518 1028079204 /nfs/dbraw/zinc/07/92/04/1028079204.db2.gz QFPGDWLNWHEIBV-UHFFFAOYSA-N -1 1 332.341 3.509 20 5 EHBDMM O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000347457884 1121816116 /nfs/dbraw/zinc/81/61/16/1121816116.db2.gz WKTVQNIEAVZSST-UHFFFAOYSA-N -1 1 348.771 3.952 20 5 EHBDMM COc1ccccc1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000609526772 1123604405 /nfs/dbraw/zinc/60/44/05/1123604405.db2.gz YQUHXAPSZOCVIX-UHFFFAOYSA-N -1 1 337.335 3.851 20 5 EHBDMM O=C(Nc1nc(/C=C\c2ccccc2)cs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000609763647 1123663232 /nfs/dbraw/zinc/66/32/32/1123663232.db2.gz GMNNTXKGBFCSLZ-SREVYHEPSA-N -1 1 340.364 3.802 20 5 EHBDMM O=C(c1ccc(Cl)cc1[O-])N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163861186 1129951205 /nfs/dbraw/zinc/95/12/05/1129951205.db2.gz IOHNSXXQASRXAE-UHFFFAOYSA-N -1 1 346.770 3.759 20 5 EHBDMM Nc1ccc2cc3ccc(Nc4cncc(C(=O)[O-])c4)cc3nc2c1 ZINC001175843190 1132773513 /nfs/dbraw/zinc/77/35/13/1132773513.db2.gz KPSQQDMWTMGQCT-UHFFFAOYSA-N -1 1 330.347 3.807 20 5 EHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1C ZINC000769631025 1133318200 /nfs/dbraw/zinc/31/82/00/1133318200.db2.gz RHKAZMKEFMBSCI-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM CSc1cc(F)ccc1[N-]C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001130090892 1135237166 /nfs/dbraw/zinc/23/71/66/1135237166.db2.gz TXFHTKMSQNFBBZ-UHFFFAOYSA-N -1 1 342.298 3.986 20 5 EHBDMM Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)sc1C ZINC000811832088 1136142650 /nfs/dbraw/zinc/14/26/50/1136142650.db2.gz KVPAKCKWLPRXRS-UHFFFAOYSA-N -1 1 346.817 3.727 20 5 EHBDMM Cc1noc(C(F)F)c1C(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000813244219 1136308080 /nfs/dbraw/zinc/30/80/80/1136308080.db2.gz RSANYNHXMPLRHV-UHFFFAOYSA-N -1 1 331.662 3.735 20 5 EHBDMM COc1cc(Cc2nc(=O)c3c(C)sc(C)c3[n-]2)ccc1[N+](=O)[O-] ZINC000864356237 1137223587 /nfs/dbraw/zinc/22/35/87/1137223587.db2.gz RVHXCQIDEFPEFQ-UHFFFAOYSA-N -1 1 345.380 3.521 20 5 EHBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H]1Cc1cc(F)ccc1F ZINC001171280062 1137392260 /nfs/dbraw/zinc/39/22/60/1137392260.db2.gz ZEKGCFZSNKJUSA-HNNXBMFYSA-N -1 1 348.349 3.786 20 5 EHBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1noc2c1CC(C)(C)CC2 ZINC000875673964 1137636744 /nfs/dbraw/zinc/63/67/44/1137636744.db2.gz BNNFZXALXAIYFR-UHFFFAOYSA-N -1 1 347.346 3.798 20 5 EHBDMM C[C@H](C(=O)[O-])[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000826055314 601653848 /nfs/dbraw/zinc/65/38/48/601653848.db2.gz YMGMXSHBEBQQLQ-ZBEGNZNMSA-N -1 1 348.786 3.800 20 5 EHBDMM CC(C)(C(=O)[O-])[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000833412958 605177774 /nfs/dbraw/zinc/17/77/74/605177774.db2.gz FKNOFHAAUNWNGS-MRXNPFEDSA-N -1 1 346.358 3.676 20 5 EHBDMM C[C@@H](C(=O)[O-])N(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCC1 ZINC001589486704 987033200 /nfs/dbraw/zinc/03/32/00/987033200.db2.gz LBUNFDLAHWOPFC-LBPRGKRZSA-N -1 1 344.367 3.682 20 5 EHBDMM CCc1ccccc1S(=O)(=O)[N-]c1cc(C)c([N+](=O)[O-])cc1C ZINC000473755005 1022667887 /nfs/dbraw/zinc/66/78/87/1022667887.db2.gz BYDWZHBFAJNGAH-UHFFFAOYSA-N -1 1 334.397 3.575 20 5 EHBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000473763706 1022687321 /nfs/dbraw/zinc/68/73/21/1022687321.db2.gz JMJICBXSCBVCKJ-UHFFFAOYSA-N -1 1 346.408 3.501 20 5 EHBDMM CC(C)(C)C[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000426829965 1023060310 /nfs/dbraw/zinc/06/03/10/1023060310.db2.gz UBWJSTSOABURLO-OAHLLOKOSA-N -1 1 346.383 3.834 20 5 EHBDMM Cc1noc(C2CC2)c1[N-]C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000438949452 1025314170 /nfs/dbraw/zinc/31/41/70/1025314170.db2.gz DTOVHQOREMSFNH-UHFFFAOYSA-N -1 1 335.747 3.983 20 5 EHBDMM CC(C)c1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c([O-])c1 ZINC000436755545 1026147486 /nfs/dbraw/zinc/14/74/86/1026147486.db2.gz ODHTWSJJHOZKFT-UHFFFAOYSA-N -1 1 326.352 3.627 20 5 EHBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2c2ccccc2)c1 ZINC000593732872 1033879352 /nfs/dbraw/zinc/87/93/52/1033879352.db2.gz QYMAGLRMRAMLRF-INIZCTEOSA-N -1 1 326.352 3.630 20 5 EHBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000509169664 1129904147 /nfs/dbraw/zinc/90/41/47/1129904147.db2.gz SAULPADRMAZWBC-UHFFFAOYSA-N -1 1 331.715 3.687 20 5 EHBDMM O=C(Nc1nc(Cl)ccc1[O-])c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000790048379 1134364553 /nfs/dbraw/zinc/36/45/53/1134364553.db2.gz ULEXAYQLVHDZNJ-UHFFFAOYSA-N -1 1 349.755 3.816 20 5 EHBDMM O=[N+]([O-])c1ccc(Cl)c(CNCc2cccc([O-])c2Cl)c1 ZINC000815129828 1136554560 /nfs/dbraw/zinc/55/45/60/1136554560.db2.gz IMVHXTDVCACUIG-UHFFFAOYSA-N -1 1 327.167 3.897 20 5 EHBDMM CCCN(Cc1ccc(F)cc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001595888148 982916369 /nfs/dbraw/zinc/91/63/69/982916369.db2.gz HJVUBOCFRRURLT-UHFFFAOYSA-N -1 1 346.358 3.844 20 5 EHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2Cl)cc1C ZINC000060436722 1020781239 /nfs/dbraw/zinc/78/12/39/1020781239.db2.gz BFIIWRMFHGIGFC-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000520769562 1024649075 /nfs/dbraw/zinc/64/90/75/1024649075.db2.gz DXGZVXKRLPYYIJ-UHFFFAOYSA-N -1 1 334.397 3.575 20 5 EHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000014257053 1024922334 /nfs/dbraw/zinc/92/23/34/1024922334.db2.gz ONCQRGZEBGXWGW-UHFFFAOYSA-N -1 1 334.397 3.629 20 5 EHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cccc1CC ZINC000520038072 1026654638 /nfs/dbraw/zinc/65/46/38/1026654638.db2.gz BFPWCFUJQZRDGV-UHFFFAOYSA-N -1 1 348.424 3.829 20 5 EHBDMM Cc1cccc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C(C)(C)C)c1 ZINC000444998173 1028460212 /nfs/dbraw/zinc/46/02/12/1028460212.db2.gz HLUWIQWSLUPEHH-HNNXBMFYSA-N -1 1 343.383 3.521 20 5 EHBDMM Cc1cc(Br)ccc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000445452210 1028821908 /nfs/dbraw/zinc/82/19/08/1028821908.db2.gz AXCRHGDSDAGWMF-UHFFFAOYSA-N -1 1 349.144 3.711 20 5 EHBDMM Cc1c(-c2nc(-c3ccc([O-])cc3Cl)no2)cccc1[N+](=O)[O-] ZINC000445454935 1028824661 /nfs/dbraw/zinc/82/46/61/1028824661.db2.gz NGIDZEFGMLIJSI-UHFFFAOYSA-N -1 1 331.715 3.979 20 5 EHBDMM C[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000445480705 1028841309 /nfs/dbraw/zinc/84/13/09/1028841309.db2.gz MVBPUSSFGLQLAD-MRVPVSSYSA-N -1 1 347.277 3.780 20 5 EHBDMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000138136832 1031365494 /nfs/dbraw/zinc/36/54/94/1031365494.db2.gz OLHBJMMZMUYVIV-UHFFFAOYSA-N -1 1 340.788 3.611 20 5 EHBDMM O=[N+]([O-])c1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1[O-] ZINC000534629800 1034756262 /nfs/dbraw/zinc/75/62/62/1034756262.db2.gz TYPDZPJIEJCKKL-UHFFFAOYSA-N -1 1 334.129 3.606 20 5 EHBDMM CC(C)CCn1ncc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C(C)C ZINC000490534797 1040584611 /nfs/dbraw/zinc/58/46/11/1040584611.db2.gz MQZKQWUBKYRKSV-UHFFFAOYSA-N -1 1 333.392 3.541 20 5 EHBDMM CC[C@@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301055320 1121196338 /nfs/dbraw/zinc/19/63/38/1121196338.db2.gz BJWGAONEKMYKFR-GFCCVEGCSA-N -1 1 349.412 3.606 20 5 EHBDMM O=c1cc(C(F)(F)F)nc(SCc2cc(F)ccc2[N+](=O)[O-])[n-]1 ZINC000735980268 1131398384 /nfs/dbraw/zinc/39/83/84/1131398384.db2.gz WPEVYOPSLOADHP-UHFFFAOYSA-N -1 1 349.265 3.541 20 5 EHBDMM O=C(Nc1cc(F)ccc1[O-])c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813500866 1136343128 /nfs/dbraw/zinc/34/31/28/1136343128.db2.gz LROFFJCDCJHBFF-UHFFFAOYSA-N -1 1 345.113 3.999 20 5 EHBDMM Cc1nc(SCc2cc([N+](=O)[O-])ccc2Cl)[n-]c(=O)c1C ZINC000776870072 1136750139 /nfs/dbraw/zinc/75/01/39/1136750139.db2.gz FPSURVFFTQWDNB-UHFFFAOYSA-N -1 1 325.777 3.653 20 5 EHBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]1Cc1cc(F)ccc1F ZINC001171280063 1137392177 /nfs/dbraw/zinc/39/21/77/1137392177.db2.gz ZEKGCFZSNKJUSA-OAHLLOKOSA-N -1 1 348.349 3.786 20 5 EHBDMM O=C([O-])CCCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000833226935 604784676 /nfs/dbraw/zinc/78/46/76/604784676.db2.gz UUEFGSFAPOIFSX-UHFFFAOYSA-N -1 1 346.358 3.601 20 5 EHBDMM O=C([O-])c1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000569251387 604784824 /nfs/dbraw/zinc/78/48/24/604784824.db2.gz LOGOYEXMBLPJAE-UHFFFAOYSA-N -1 1 332.381 3.519 20 5 EHBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000820455129 606644539 /nfs/dbraw/zinc/64/45/39/606644539.db2.gz DWTJICNBHRAGNW-SECBINFHSA-N -1 1 344.762 3.601 20 5 EHBDMM O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340589876 1018592431 /nfs/dbraw/zinc/59/24/31/1018592431.db2.gz OLOLMYMDFRUTRL-UHFFFAOYSA-N -1 1 347.334 3.514 20 5 EHBDMM COc1cc(-c2nc3ccc(SC)cc3[nH]2)cc([N+](=O)[O-])c1[O-] ZINC000436976030 1021429421 /nfs/dbraw/zinc/42/94/21/1021429421.db2.gz AKZARWHDYCRWOO-UHFFFAOYSA-N -1 1 331.353 3.574 20 5 EHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000473773752 1022727835 /nfs/dbraw/zinc/72/78/35/1022727835.db2.gz DCSQIKFSGLFIMQ-UHFFFAOYSA-N -1 1 334.397 3.629 20 5 EHBDMM CCc1cccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000473775155 1022729227 /nfs/dbraw/zinc/72/92/27/1022729227.db2.gz VWPIVKHDQKHEDA-UHFFFAOYSA-N -1 1 334.397 3.575 20 5 EHBDMM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc([O-])c(Cl)c1 ZINC000121004665 1025199887 /nfs/dbraw/zinc/19/98/87/1025199887.db2.gz UYCKFAFAQDOZCW-UHFFFAOYSA-N -1 1 345.742 3.616 20 5 EHBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000294909279 1025971073 /nfs/dbraw/zinc/97/10/73/1025971073.db2.gz BGUDAIYSPQPORW-UHFFFAOYSA-N -1 1 346.408 3.890 20 5 EHBDMM O=C(Nc1ccccc1N1CCc2ccccc21)c1ccc([N+](=O)[O-])[n-]1 ZINC000604097784 1034210935 /nfs/dbraw/zinc/21/09/35/1034210935.db2.gz WKSQBTXLFTZOCW-UHFFFAOYSA-N 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ZINC000078807555 1129198731 /nfs/dbraw/zinc/19/87/31/1129198731.db2.gz OYFIEXASQUHBGC-UHFFFAOYSA-N -1 1 334.397 3.629 20 5 EHBDMM CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000347838992 1129910337 /nfs/dbraw/zinc/91/03/37/1129910337.db2.gz FDNUEJRHGIOKLP-UHFFFAOYSA-N -1 1 343.261 3.593 20 5 EHBDMM CCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000059241374 1129978174 /nfs/dbraw/zinc/97/81/74/1129978174.db2.gz SSQIFAJHZTUVLG-UHFFFAOYSA-N -1 1 340.792 3.695 20 5 EHBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000338196232 1138783648 /nfs/dbraw/zinc/78/36/48/1138783648.db2.gz NOKBSUOHIPIUID-KSSFIOAISA-N -1 1 342.395 3.558 20 5 EHBDMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000030529766 202196433 /nfs/dbraw/zinc/19/64/33/202196433.db2.gz CAZLVYCNFHSMIE-UHFFFAOYSA-N -1 1 334.397 3.575 20 5 EHBDMM COC(=O)c1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(Cl)s1 ZINC001210392499 1017949307 /nfs/dbraw/zinc/94/93/07/1017949307.db2.gz FPGGNDNQAUSETB-UHFFFAOYSA-N -1 1 328.733 3.546 20 5 EHBDMM CCc1nc(SCc2ccc(Cl)cc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000580659069 1019807931 /nfs/dbraw/zinc/80/79/31/1019807931.db2.gz GZDCUENAYLOYGI-UHFFFAOYSA-N -1 1 339.804 3.907 20 5 EHBDMM CCCc1ncc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)s1 ZINC000172723697 1032870538 /nfs/dbraw/zinc/87/05/38/1032870538.db2.gz FQOVKYORMCDHAD-UHFFFAOYSA-N -1 1 327.312 3.534 20 5 EHBDMM O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000476299676 1033119388 /nfs/dbraw/zinc/11/93/88/1033119388.db2.gz LLIBANBBWXZNRG-UHFFFAOYSA-N -1 1 333.653 3.847 20 5 EHBDMM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1[N+](=O)[O-] ZINC000536460368 1024486151 /nfs/dbraw/zinc/48/61/51/1024486151.db2.gz VJMGOGFWMURYJY-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM O=C(Nc1ccc(Br)c(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000227608670 1026221089 /nfs/dbraw/zinc/22/10/89/1026221089.db2.gz QBYUPDVAOFPXIY-UHFFFAOYSA-N -1 1 344.552 3.591 20 5 EHBDMM Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2C)cccc1[N+](=O)[O-] ZINC000135680714 1027646642 /nfs/dbraw/zinc/64/66/42/1027646642.db2.gz NSAFQTJCZYPHSQ-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM O=[N+]([O-])c1ccc2[nH]cc(-c3nc(-c4ccc([O-])c(F)c4)no3)c2c1 ZINC000445481617 1028841498 /nfs/dbraw/zinc/84/14/98/1028841498.db2.gz NCTZXRGSEINZMW-UHFFFAOYSA-N -1 1 340.270 3.638 20 5 EHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(Cl)c1 ZINC000445489744 1028848016 /nfs/dbraw/zinc/84/80/16/1028848016.db2.gz ZUWLMMOHRFXSRR-UHFFFAOYSA-N -1 1 335.678 3.810 20 5 EHBDMM CC(C)Cc1nc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)cs1 ZINC000063575068 1033454617 /nfs/dbraw/zinc/45/46/17/1033454617.db2.gz ZPOSKQPIIFNYBK-UHFFFAOYSA-N -1 1 341.339 3.780 20 5 EHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1[N+](=O)[O-] ZINC000491682383 1037621630 /nfs/dbraw/zinc/62/16/30/1037621630.db2.gz XVYJMDNFBWGOGR-UHFFFAOYSA-N -1 1 346.364 3.759 20 5 EHBDMM O=C(c1cc2ccccc2cc1[O-])N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000129745059 1037813045 /nfs/dbraw/zinc/81/30/45/1037813045.db2.gz CAUJZNHNXQGZKZ-UHFFFAOYSA-N -1 1 348.358 3.652 20 5 EHBDMM Cc1nc(SCc2ccc(Cl)cc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000538515862 1038354551 /nfs/dbraw/zinc/35/45/51/1038354551.db2.gz VHXBZAKVJIFIDS-UHFFFAOYSA-N -1 1 325.777 3.653 20 5 EHBDMM CCC[C@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)sc2C1 ZINC000500754417 1039376242 /nfs/dbraw/zinc/37/62/42/1039376242.db2.gz KQAFKOQSSXYKPQ-VIFPVBQESA-N -1 1 334.401 3.537 20 5 EHBDMM CCO[C@H]1C[C@@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1(CC)CC ZINC001167820818 1042906481 /nfs/dbraw/zinc/90/64/81/1042906481.db2.gz WUSMMBICVPLTBQ-SJORKVTESA-N -1 1 336.432 3.716 20 5 EHBDMM O=C(Nc1ccc(Cl)cc1[O-])c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768716888 1133171582 /nfs/dbraw/zinc/17/15/82/1133171582.db2.gz UBXKQYJGWCQGTM-UHFFFAOYSA-N -1 1 327.123 3.860 20 5 EHBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cc(F)cc2F)c1 ZINC000338523792 1138955691 /nfs/dbraw/zinc/95/56/91/1138955691.db2.gz ASYZDKACBDGYTG-UHFFFAOYSA-N -1 1 340.257 3.663 20 5 EHBDMM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000268300963 1140916767 /nfs/dbraw/zinc/91/67/67/1140916767.db2.gz CLSVWHWFRMQJCB-ZDUSSCGKSA-N -1 1 342.399 3.862 20 5 EHBDMM O=C([O-])CCN(Cc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000692463122 600215209 /nfs/dbraw/zinc/21/52/09/600215209.db2.gz YEPNTHKWVAVQCV-UHFFFAOYSA-N -1 1 348.786 3.725 20 5 EHBDMM O=C([O-])c1cc(F)ccc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000563278322 604784191 /nfs/dbraw/zinc/78/41/91/604784191.db2.gz HWBOXTRSEFFCKY-UHFFFAOYSA-N -1 1 344.342 3.597 20 5 EHBDMM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000833406430 605214885 /nfs/dbraw/zinc/21/48/85/605214885.db2.gz GBUAWGHCELAQOE-BDJLRTHQSA-N -1 1 348.786 3.800 20 5 EHBDMM O=C([O-])C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000426816731 1023063580 /nfs/dbraw/zinc/06/35/80/1023063580.db2.gz MEKBGRFXPDBVBF-OAHLLOKOSA-N -1 1 334.759 3.554 20 5 EHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000520769643 1024653741 /nfs/dbraw/zinc/65/37/41/1024653741.db2.gz HDUDGKHAXDNWGG-UHFFFAOYSA-N -1 1 334.397 3.575 20 5 EHBDMM C[C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C(=O)[O-] ZINC000424424155 1029049027 /nfs/dbraw/zinc/04/90/27/1029049027.db2.gz WCHALSZLRZMAKL-YVEFUNNKSA-N -1 1 344.367 3.540 20 5 EHBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000476359706 1033566488 /nfs/dbraw/zinc/56/64/88/1033566488.db2.gz YXPDTQWPYVSIFP-UHFFFAOYSA-N -1 1 346.408 3.583 20 5 EHBDMM Cc1c(CSc2nc(C(F)F)cc(=O)[n-]2)cccc1[N+](=O)[O-] ZINC000581576782 1035524530 /nfs/dbraw/zinc/52/45/30/1035524530.db2.gz XBWDVSCDLCDVLK-UHFFFAOYSA-N -1 1 327.312 3.629 20 5 EHBDMM CCc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491844514 1037716073 /nfs/dbraw/zinc/71/60/73/1037716073.db2.gz GNFFDZOBZRTYHD-UHFFFAOYSA-N -1 1 334.397 3.575 20 5 EHBDMM Cc1ccc(N(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])[n-]2)cc1C ZINC000732115906 1130886124 /nfs/dbraw/zinc/88/61/24/1130886124.db2.gz QLSAALGZFCXPBN-UHFFFAOYSA-N -1 1 339.351 3.980 20 5 EHBDMM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1c(F)c(F)cc(F)c1F ZINC000347999568 1131112417 /nfs/dbraw/zinc/11/24/17/1131112417.db2.gz IGVOFPNOQWSBGZ-UHFFFAOYSA-N -1 1 332.184 3.543 20 5 EHBDMM CCc1[nH]nc(C(=O)[N-]c2ccc(Cl)cc2SC)c1[N+](=O)[O-] ZINC001146978595 1137397912 /nfs/dbraw/zinc/39/79/12/1137397912.db2.gz VCQRCIHCVAIYGT-UHFFFAOYSA-N -1 1 340.792 3.508 20 5 EHBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(C(C)C)ns2)c1 ZINC000874697935 1137621560 /nfs/dbraw/zinc/62/15/60/1137621560.db2.gz KFLYZVUFNYCPMC-UHFFFAOYSA-N -1 1 338.414 3.544 20 5 EHBDMM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414672718 973946613 /nfs/dbraw/zinc/94/66/13/973946613.db2.gz CJRPJSGJIYLZKL-GFCCVEGCSA-N -1 1 332.356 3.540 20 5 EHBDMM C[C@H](C[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC000600676824 975006263 /nfs/dbraw/zinc/00/62/63/975006263.db2.gz YTJDCXYBJWEPTL-CYBMUJFWSA-N -1 1 334.416 3.941 20 5 EHBDMM C[C@H](N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC001599901149 984829865 /nfs/dbraw/zinc/82/98/65/984829865.db2.gz ULAJHSDISILRAJ-BONVTDFDSA-N -1 1 334.759 3.725 20 5 EHBDMM CCOc1cccc([C@H](C)NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001597148744 986913307 /nfs/dbraw/zinc/91/33/07/986913307.db2.gz FCMBKCQDGGGYAQ-LBPRGKRZSA-N -1 1 344.367 3.543 20 5 EHBDMM O=[N+]([O-])c1cc(Nc2nc(Cl)c(Cl)nc2Cl)ccc1[O-] ZINC001210394974 1017951454 /nfs/dbraw/zinc/95/14/54/1017951454.db2.gz LFOFXWKIMMEPMC-UHFFFAOYSA-N -1 1 335.534 3.794 20 5 EHBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cnc(-c2ccncc2)s1 ZINC000172719750 1032882681 /nfs/dbraw/zinc/88/26/81/1032882681.db2.gz FSPALTJNOGCTSP-UHFFFAOYSA-N -1 1 344.327 3.505 20 5 EHBDMM COc1cccc([C@@H]2C[C@H](C)CN2Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000518991401 1021760005 /nfs/dbraw/zinc/76/00/05/1021760005.db2.gz JGCQMTMRXJTXEI-DJJJIMSYSA-N -1 1 342.395 3.892 20 5 EHBDMM Cc1csc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)n1 ZINC000337605626 1021789933 /nfs/dbraw/zinc/78/99/33/1021789933.db2.gz QSXZJAIQLPBUAC-UHFFFAOYSA-N -1 1 328.353 3.607 20 5 EHBDMM CCc1cc(=O)[n-]c(SCc2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000436205415 1025457376 /nfs/dbraw/zinc/45/73/76/1025457376.db2.gz OOTZSBMWAACYJB-UHFFFAOYSA-N -1 1 325.777 3.599 20 5 EHBDMM Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)cc1C ZINC000503168198 1029104490 /nfs/dbraw/zinc/10/44/90/1029104490.db2.gz YUDMQHRDEZNARL-UHFFFAOYSA-N -1 1 342.380 3.916 20 5 EHBDMM COc1ccc(C2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)cc1 ZINC000549464170 1039402137 /nfs/dbraw/zinc/40/21/37/1039402137.db2.gz LEZMFDWGSOOYPK-UHFFFAOYSA-N -1 1 342.395 3.689 20 5 EHBDMM CC[C@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301055321 1121195974 /nfs/dbraw/zinc/19/59/74/1121195974.db2.gz BJWGAONEKMYKFR-LBPRGKRZSA-N -1 1 349.412 3.606 20 5 EHBDMM Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)c(C)c1 ZINC000609414173 1123570728 /nfs/dbraw/zinc/57/07/28/1123570728.db2.gz HTTSWODIOXXJOI-UHFFFAOYSA-N -1 1 342.380 3.916 20 5 EHBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175589846 1123723168 /nfs/dbraw/zinc/72/31/68/1123723168.db2.gz DSVKRWYDSTWQIL-UHFFFAOYSA-N -1 1 339.666 3.548 20 5 EHBDMM O=c1cc(C(F)F)nc(SCc2cc(Cl)ccc2[N+](=O)[O-])[n-]1 ZINC000809987054 1135908957 /nfs/dbraw/zinc/90/89/57/1135908957.db2.gz PZEFFYUAAJRHRG-UHFFFAOYSA-N -1 1 347.730 3.974 20 5 EHBDMM Cc1nc(SCc2cc(F)ccc2[N+](=O)[O-])[n-]c(=O)c1C1CC1 ZINC000865373351 1137278217 /nfs/dbraw/zinc/27/82/17/1137278217.db2.gz QDDFAXSJRAQKTA-UHFFFAOYSA-N -1 1 335.360 3.708 20 5 EHBDMM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccccc2SC2CCCC2)n1 ZINC000270972742 1141288750 /nfs/dbraw/zinc/28/87/50/1141288750.db2.gz IEQBOSQBHGWVAP-UHFFFAOYSA-N -1 1 346.412 3.615 20 5 EHBDMM CC(C)(C(=O)[O-])[C@@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000833414479 605184451 /nfs/dbraw/zinc/18/44/51/605184451.db2.gz NZTPOOCYJSOOCS-INIZCTEOSA-N -1 1 346.358 3.676 20 5 EHBDMM C[C@H](C(=O)[O-])[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000833406433 605214955 /nfs/dbraw/zinc/21/49/55/605214955.db2.gz GBUAWGHCELAQOE-ZBEGNZNMSA-N -1 1 348.786 3.800 20 5 EHBDMM CC(C)c1cccc(Oc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001574420229 948796822 /nfs/dbraw/zinc/79/68/22/948796822.db2.gz RFLJSSCCDVCYNV-UHFFFAOYSA-N -1 1 325.328 3.691 20 5 EHBDMM CC(C)c1cccc(Oc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001574420229 948796835 /nfs/dbraw/zinc/79/68/35/948796835.db2.gz RFLJSSCCDVCYNV-UHFFFAOYSA-N -1 1 325.328 3.691 20 5 EHBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000182880085 1019764324 /nfs/dbraw/zinc/76/43/24/1019764324.db2.gz HKXGRKBXTRFGNO-UHFFFAOYSA-N -1 1 331.715 3.687 20 5 EHBDMM CC(C)(c1nc(-c2ccc([O-])cc2F)no1)c1ccccc1[N+](=O)[O-] ZINC000436786788 1021229850 /nfs/dbraw/zinc/22/98/50/1021229850.db2.gz ZMAUBKUTVIIHJB-UHFFFAOYSA-N -1 1 343.314 3.815 20 5 EHBDMM O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000434471955 1024058889 /nfs/dbraw/zinc/05/88/89/1024058889.db2.gz WJKSMFTZJGSQRP-UHFFFAOYSA-N -1 1 347.334 3.514 20 5 EHBDMM CCOc1cc(CSc2nc(C3CC3)cc(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000436240630 1025489600 /nfs/dbraw/zinc/48/96/00/1025489600.db2.gz BDVQIQOMVUIWCX-UHFFFAOYSA-N -1 1 347.396 3.659 20 5 EHBDMM Cc1cccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1C ZINC000481953099 1030129562 /nfs/dbraw/zinc/12/95/62/1030129562.db2.gz BNJHWACGYTTYGH-UHFFFAOYSA-N -1 1 334.397 3.629 20 5 EHBDMM Cc1cc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c([N+](=O)[O-])s1 ZINC000596175889 1034118225 /nfs/dbraw/zinc/11/82/25/1034118225.db2.gz WRULEIZZUYDRLX-UHFFFAOYSA-N -1 1 346.408 3.770 20 5 EHBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc(-c2ccccc2)on1 ZINC000057649364 1037023225 /nfs/dbraw/zinc/02/32/25/1037023225.db2.gz WOHNGUBPDGJDDT-UHFFFAOYSA-N -1 1 327.271 3.641 20 5 EHBDMM CC(C)(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000512768116 1040855557 /nfs/dbraw/zinc/85/55/57/1040855557.db2.gz ZVFXAVZODPHMGQ-MNOVXSKESA-N -1 1 346.474 3.540 20 5 EHBDMM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1csc([N+](=O)[O-])c1 ZINC000255447136 1129109592 /nfs/dbraw/zinc/10/95/92/1129109592.db2.gz HIXNEJCYAJRYQR-ARJAWSKDSA-N -1 1 348.365 3.524 20 5 EHBDMM O=C([N-]c1cccc([N+](=O)[O-])c1Cl)c1scnc1C(F)F ZINC001128847938 1130207132 /nfs/dbraw/zinc/20/71/32/1130207132.db2.gz WZJUKTLZHSBJJW-UHFFFAOYSA-N -1 1 333.703 3.895 20 5 EHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)cc1C ZINC000768867073 1133192803 /nfs/dbraw/zinc/19/28/03/1133192803.db2.gz XQXPTSYVLBGQCE-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM CC[C@H]1CN(C)c2ccccc2CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001191529254 1134880405 /nfs/dbraw/zinc/88/04/05/1134880405.db2.gz DBIWMAKGLMDMNI-INIZCTEOSA-N -1 1 341.411 3.531 20 5 EHBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000111668120 1136569813 /nfs/dbraw/zinc/56/98/13/1136569813.db2.gz WURZEXSLRAFGFF-UHFFFAOYSA-N -1 1 347.758 3.780 20 5 EHBDMM CN(C)c1cccc([C@H]2CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000339006043 1136897540 /nfs/dbraw/zinc/89/75/40/1136897540.db2.gz PHISNRCTYBFKFR-GOSISDBHSA-N -1 1 341.411 3.704 20 5 EHBDMM CC(C)(C)c1csc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)n1 ZINC000875094274 1137629148 /nfs/dbraw/zinc/62/91/48/1137629148.db2.gz OBWXFSPOOFZPNB-UHFFFAOYSA-N -1 1 341.339 3.879 20 5 EHBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C(C)C)s2)c1 ZINC000026573495 1032179918 /nfs/dbraw/zinc/17/99/18/1032179918.db2.gz PUESSUQVXBIJAK-UHFFFAOYSA-N -1 1 338.414 3.544 20 5 EHBDMM O=C(Nc1ccc(CCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000439987163 1021880945 /nfs/dbraw/zinc/88/09/45/1021880945.db2.gz DVOWHQDGHKWLBF-UHFFFAOYSA-N -1 1 327.262 3.670 20 5 EHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000093929087 1024283228 /nfs/dbraw/zinc/28/32/28/1024283228.db2.gz ZYOVUYGLKKQLFB-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM O=C(Nc1cc(Cl)ccc1[O-])c1ccc([N+](=O)[O-])c2cccnc12 ZINC000158904633 1033205078 /nfs/dbraw/zinc/20/50/78/1033205078.db2.gz MLTQMKQXASWRIX-UHFFFAOYSA-N -1 1 343.726 3.754 20 5 EHBDMM CCCCc1nnc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000023361632 1025978469 /nfs/dbraw/zinc/97/84/69/1025978469.db2.gz LTPSAJZASVJBFK-UHFFFAOYSA-N -1 1 340.792 3.695 20 5 EHBDMM O=[N+]([O-])c1cc(F)ccc1/C=C\c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445472235 1028819758 /nfs/dbraw/zinc/81/97/58/1028819758.db2.gz PYCMKCVWNCAQPX-UTCJRWHESA-N -1 1 345.261 3.799 20 5 EHBDMM O=[N+]([O-])c1ccc(/C=C\c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445478569 1028836627 /nfs/dbraw/zinc/83/66/27/1028836627.db2.gz HJCUIZIKNKJGLN-BAQGIRSFSA-N -1 1 327.271 3.660 20 5 EHBDMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000007053250 1031215774 /nfs/dbraw/zinc/21/57/74/1031215774.db2.gz YDULEYHXXCTUGG-LBPRGKRZSA-N -1 1 334.397 3.909 20 5 EHBDMM Cc1coc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc12 ZINC000479553410 1040370414 /nfs/dbraw/zinc/37/04/14/1040370414.db2.gz JQHBIBPXPHOSHE-UHFFFAOYSA-N -1 1 346.364 3.759 20 5 EHBDMM O=C(Nc1cccc(COc2ccccc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000918676934 1122885370 /nfs/dbraw/zinc/88/53/70/1122885370.db2.gz QFRAKEYQGUZNQC-UHFFFAOYSA-N -1 1 337.335 3.754 20 5 EHBDMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000609871876 1123681786 /nfs/dbraw/zinc/68/17/86/1123681786.db2.gz PEOGKBGZLFHIAO-UHFFFAOYSA-N -1 1 334.397 3.520 20 5 EHBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1nc(Cl)ccc1Cl ZINC000073906638 1129823291 /nfs/dbraw/zinc/82/32/91/1129823291.db2.gz RINZQMUNXIIJPO-UHFFFAOYSA-N -1 1 348.092 3.827 20 5 EHBDMM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc3ccccc3cc1[O-])CC2 ZINC000773989807 1133585385 /nfs/dbraw/zinc/58/53/85/1133585385.db2.gz ZFUHVXVHHXJQCM-UHFFFAOYSA-N -1 1 348.358 3.965 20 5 EHBDMM CC(C)(NCc1cc(C(=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000833461091 605843150 /nfs/dbraw/zinc/84/31/50/605843150.db2.gz NKLWZCXEWFEWAP-UHFFFAOYSA-N -1 1 348.786 3.971 20 5 EHBDMM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414677410 973949144 /nfs/dbraw/zinc/94/91/44/973949144.db2.gz ILSGZEAHGYCBIU-GFCCVEGCSA-N -1 1 332.356 3.540 20 5 EHBDMM CC(C)(NCc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC001590871263 990776563 /nfs/dbraw/zinc/77/65/63/990776563.db2.gz KXDZWQPNYOMMEH-UHFFFAOYSA-N -1 1 348.786 3.971 20 5 EHBDMM CCCc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000032098369 1024709201 /nfs/dbraw/zinc/70/92/01/1024709201.db2.gz OHBWEHBDKSLUAR-UHFFFAOYSA-N -1 1 334.397 3.657 20 5 EHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)[n-]1 ZINC000545616425 1027135708 /nfs/dbraw/zinc/13/57/08/1027135708.db2.gz MIXIJTTVUZQKBU-UHFFFAOYSA-N -1 1 340.217 3.539 20 5 EHBDMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000135680798 1027646887 /nfs/dbraw/zinc/64/68/87/1027646887.db2.gz WWQYNMYPLLKGEN-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM O=[N+]([O-])c1cccc(/C=C/c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445456536 1028822831 /nfs/dbraw/zinc/82/28/31/1028822831.db2.gz VHXHMITXNAWKHB-QPJJXVBHSA-N -1 1 327.271 3.660 20 5 EHBDMM Cc1ccccc1[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)(C)C ZINC000484203194 1031496500 /nfs/dbraw/zinc/49/65/00/1031496500.db2.gz RKQYAMDXNJWTBZ-OAHLLOKOSA-N -1 1 343.383 3.521 20 5 EHBDMM Cc1nc(SCc2ccc([N+](=O)[O-])cc2Cl)[n-]c(=O)c1C ZINC000542932137 1128865787 /nfs/dbraw/zinc/86/57/87/1128865787.db2.gz OKWSZRNDRRNALS-UHFFFAOYSA-N -1 1 325.777 3.653 20 5 EHBDMM Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(Cl)c1 ZINC000055549446 1120994542 /nfs/dbraw/zinc/99/45/42/1120994542.db2.gz WRHUSCYCUZQIFZ-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM C[C@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])c1ccccn1 ZINC001234875186 1121007166 /nfs/dbraw/zinc/00/71/66/1121007166.db2.gz DLWMLNQXRCIXGZ-QMMMGPOBSA-N -1 1 339.145 3.598 20 5 EHBDMM Cc1c([N-]c2ncc(Cl)cc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000301749060 1129027252 /nfs/dbraw/zinc/02/72/52/1129027252.db2.gz SSMAKKXDFGEDMA-UHFFFAOYSA-N -1 1 329.747 3.881 20 5 EHBDMM Cc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)c1 ZINC000736419704 1131421163 /nfs/dbraw/zinc/42/11/63/1131421163.db2.gz YCBSXBABVYYZMQ-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM Cc1ccc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000865373386 1137278262 /nfs/dbraw/zinc/27/82/62/1137278262.db2.gz RSFZEMDEXVPGFD-UHFFFAOYSA-N -1 1 331.397 3.877 20 5 EHBDMM CCc1oc(C(=O)[O-])cc1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000830362638 601413588 /nfs/dbraw/zinc/41/35/88/601413588.db2.gz FSARKYZEFWYBIZ-UHFFFAOYSA-N -1 1 346.383 3.859 20 5 EHBDMM CC[C@@H]1Cc2ccccc2CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001595500385 981272223 /nfs/dbraw/zinc/27/22/23/981272223.db2.gz ZACBFAXJHIICLF-QGZVFWFLSA-N -1 1 340.379 3.630 20 5 EHBDMM Cc1csc(Nc2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)n1 ZINC000729336361 1019298590 /nfs/dbraw/zinc/29/85/90/1019298590.db2.gz KOWYGSQRRWJEBH-UHFFFAOYSA-N -1 1 343.368 3.684 20 5 EHBDMM CC(C)(C)C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000426801575 1023055825 /nfs/dbraw/zinc/05/58/25/1023055825.db2.gz UVUDHYJGXMQFTR-OAHLLOKOSA-N -1 1 346.383 3.834 20 5 EHBDMM CN(c1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1)C1CCCC1 ZINC000474996018 1026042169 /nfs/dbraw/zinc/04/21/69/1026042169.db2.gz WRQFPRZJOLBJHM-UHFFFAOYSA-N -1 1 328.372 3.554 20 5 EHBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2c2ccsc2)c1 ZINC000593733025 1033878948 /nfs/dbraw/zinc/87/89/48/1033878948.db2.gz UUUZSBJDKGVUDA-CQSZACIVSA-N -1 1 332.381 3.692 20 5 EHBDMM O=C([N-]c1c(F)cc(F)cc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000172975910 1035506687 /nfs/dbraw/zinc/50/66/87/1035506687.db2.gz QPDKFFSWUUDUEC-UHFFFAOYSA-N -1 1 330.649 3.918 20 5 EHBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(C)c1 ZINC000491603902 1037581183 /nfs/dbraw/zinc/58/11/83/1037581183.db2.gz HHLSERQGDARSFT-UHFFFAOYSA-N -1 1 334.397 3.629 20 5 EHBDMM CCCCCc1nnc([N-]C(=O)c2ccc(F)cc2[N+](=O)[O-])s1 ZINC000159303867 1042822201 /nfs/dbraw/zinc/82/22/01/1042822201.db2.gz FOODOXBKUTXKBL-UHFFFAOYSA-N -1 1 338.364 3.570 20 5 EHBDMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000261384322 1043422064 /nfs/dbraw/zinc/42/20/64/1043422064.db2.gz APNLPPJZIZSCQL-SSDOTTSWSA-N -1 1 345.302 3.963 20 5 EHBDMM CCC(CC)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000032060946 1120857659 /nfs/dbraw/zinc/85/76/59/1120857659.db2.gz CEVXQQSAASQRKY-UHFFFAOYSA-N -1 1 340.430 3.972 20 5 EHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C(F)F)c1 ZINC000195451672 1123443482 /nfs/dbraw/zinc/44/34/82/1123443482.db2.gz ZGZWLVLMKVDANZ-UHFFFAOYSA-N -1 1 342.323 3.642 20 5 EHBDMM O=c1nc2nc[nH]c2c(Nc2nc3ccccc3c3ccccc32)[n-]1 ZINC001170229828 1134724583 /nfs/dbraw/zinc/72/45/83/1134724583.db2.gz DXAPJZXTJNTYHA-UHFFFAOYSA-N -1 1 328.335 3.504 20 5 EHBDMM Cc1c([N-]C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])noc1C(C)(C)C ZINC001132459200 1136008591 /nfs/dbraw/zinc/00/85/91/1136008591.db2.gz XKURUIBPGRKHKY-UHFFFAOYSA-N -1 1 335.335 3.889 20 5 EHBDMM CC[C@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000828983371 601380593 /nfs/dbraw/zinc/38/05/93/601380593.db2.gz SSZVNFVRPYUZFJ-JKSUJKDBSA-N -1 1 332.331 3.601 20 5 EHBDMM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000825637741 604036325 /nfs/dbraw/zinc/03/63/25/604036325.db2.gz GOWAOIDBDGIQEX-CJNGLKHVSA-N -1 1 347.415 3.510 20 5 EHBDMM CC(C)c1[nH]c(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001591916970 976372419 /nfs/dbraw/zinc/37/24/19/976372419.db2.gz UPVRUWQDKUHNSF-LLVKDONJSA-N -1 1 331.372 3.595 20 5 EHBDMM C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000449362665 1032498450 /nfs/dbraw/zinc/49/84/50/1032498450.db2.gz LPMGJTLEQBOFRO-AXFHLTTASA-N -1 1 332.322 3.852 20 5 EHBDMM CCOc1ccc([N+](=O)[O-])c(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000436877780 1021327765 /nfs/dbraw/zinc/32/77/65/1021327765.db2.gz HPQOEFJPAXZULZ-UHFFFAOYSA-N -1 1 345.286 3.555 20 5 EHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C(C)C)c1 ZINC000032588520 1021394270 /nfs/dbraw/zinc/39/42/70/1021394270.db2.gz LRMLCBWGPCZIKB-UHFFFAOYSA-N -1 1 334.397 3.827 20 5 EHBDMM COc1cccc([C@H]2C[C@@H](C)CN2Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000518991400 1021759546 /nfs/dbraw/zinc/75/95/46/1021759546.db2.gz JGCQMTMRXJTXEI-BFUOFWGJSA-N -1 1 342.395 3.892 20 5 EHBDMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1ccccc1[N+](=O)[O-] ZINC000514635140 1024622928 /nfs/dbraw/zinc/62/29/28/1024622928.db2.gz QHJLPKUBTUJHCH-SSDOTTSWSA-N -1 1 327.312 3.881 20 5 EHBDMM Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c(Br)c1 ZINC000545689867 1027387204 /nfs/dbraw/zinc/38/72/04/1027387204.db2.gz VMDNKSWUXMUAGJ-UHFFFAOYSA-N -1 1 349.144 3.711 20 5 EHBDMM O=[N+]([O-])c1ccccc1NCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445445206 1028803867 /nfs/dbraw/zinc/80/38/67/1028803867.db2.gz LJTDYOQDJMVRFR-UHFFFAOYSA-N -1 1 346.730 3.616 20 5 EHBDMM O=[N+]([O-])c1cc(F)ccc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445446159 1028806745 /nfs/dbraw/zinc/80/67/45/1028806745.db2.gz CRDIGGGNMHDBAW-UHFFFAOYSA-N -1 1 335.678 3.810 20 5 EHBDMM CC(C)(C)CN(CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000596655776 1034330207 /nfs/dbraw/zinc/33/02/07/1034330207.db2.gz AEQDLQUQTSKBIW-UHFFFAOYSA-N -1 1 346.383 3.788 20 5 EHBDMM O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cc([O-])c2ccccc2c1 ZINC000473350453 1039805293 /nfs/dbraw/zinc/80/52/93/1039805293.db2.gz NFHSLBOZOMCOQE-UHFFFAOYSA-N -1 1 326.283 3.845 20 5 EHBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000091054576 1128441147 /nfs/dbraw/zinc/44/11/47/1128441147.db2.gz GERRQOAMDWTEIZ-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM Cc1cccc([N+](=O)[O-])c1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000615704941 1123859997 /nfs/dbraw/zinc/85/99/97/1123859997.db2.gz BMPIYKGIMGSEPT-UHFFFAOYSA-N -1 1 340.379 3.708 20 5 EHBDMM O=[N+]([O-])c1ccc(F)c([N-]c2nc3cccc(C(F)(F)F)n3n2)c1 ZINC001175735012 1132748081 /nfs/dbraw/zinc/74/80/81/1132748081.db2.gz GLQRMBRANVTJCM-UHFFFAOYSA-N -1 1 341.224 3.539 20 5 EHBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc([O-])cc1F ZINC000773576316 1132920954 /nfs/dbraw/zinc/92/09/54/1132920954.db2.gz NWAZJNUSSXJCQE-UHFFFAOYSA-N -1 1 349.314 3.584 20 5 EHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)c(C)c1 ZINC000768868562 1133192758 /nfs/dbraw/zinc/19/27/58/1133192758.db2.gz PZBMRXZAPSCTSI-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM CCc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000768866884 1133192764 /nfs/dbraw/zinc/19/27/64/1133192764.db2.gz UFPDNTRYHOKWHU-UHFFFAOYSA-N -1 1 340.788 3.611 20 5 EHBDMM CCCCCC[C@@H](CC)CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001148775978 1137433138 /nfs/dbraw/zinc/43/31/38/1137433138.db2.gz NSGURRPIPZPXLL-CYBMUJFWSA-N -1 1 337.420 3.764 20 5 EHBDMM C[C@H](N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC001599901150 984829671 /nfs/dbraw/zinc/82/96/71/984829671.db2.gz ULAJHSDISILRAJ-ZUZCIYMTSA-N -1 1 334.759 3.725 20 5 EHBDMM C[C@H](C(=O)[O-])N(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCC1 ZINC001589486701 987034659 /nfs/dbraw/zinc/03/46/59/987034659.db2.gz KZDPCEIFAXIOOQ-GFCCVEGCSA-N -1 1 344.367 3.682 20 5 EHBDMM CCc1ccc([C@@H](C)NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001597562564 988307719 /nfs/dbraw/zinc/30/77/19/988307719.db2.gz IBUUWQGZLKPRFG-GFCCVEGCSA-N -1 1 328.368 3.706 20 5 EHBDMM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001598513971 992597655 /nfs/dbraw/zinc/59/76/55/992597655.db2.gz NGTPKKRVNIQHDL-UHFFFAOYSA-N -1 1 334.759 3.578 20 5 EHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2Cl)c1[N+](=O)[O-] ZINC000189224275 1016495139 /nfs/dbraw/zinc/49/51/39/1016495139.db2.gz HKAOKFFFDINDDI-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccsc2Cl)cc1C ZINC000189736746 1016706609 /nfs/dbraw/zinc/70/66/09/1016706609.db2.gz ZKQDYIXKPYVEMR-UHFFFAOYSA-N -1 1 346.817 3.727 20 5 EHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1CCC1CCCCC1 ZINC000444985872 1028451916 /nfs/dbraw/zinc/45/19/16/1028451916.db2.gz MBDWTFQLPKKXHO-OAHLLOKOSA-N -1 1 347.415 3.661 20 5 EHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1Cl ZINC000537652927 1030858932 /nfs/dbraw/zinc/85/89/32/1030858932.db2.gz YTOWWMZDPZZGJE-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM COc1ccc(Cn2cc([N-]c3sccc3[N+](=O)[O-])cn2)cc1 ZINC000588053408 1035710600 /nfs/dbraw/zinc/71/06/00/1035710600.db2.gz MRUYJSFXHBDVJU-UHFFFAOYSA-N -1 1 330.369 3.653 20 5 EHBDMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491605096 1037580649 /nfs/dbraw/zinc/58/06/49/1037580649.db2.gz RZHHPTNSDKBOHF-UHFFFAOYSA-N -1 1 348.424 3.883 20 5 EHBDMM CC[C@@H](C)Oc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000545753325 1040863122 /nfs/dbraw/zinc/86/31/22/1040863122.db2.gz QZIDMVHIHBXGAN-SNVBAGLBSA-N -1 1 328.328 3.817 20 5 EHBDMM COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(Cl)c1[O-] ZINC000344907727 1044683481 /nfs/dbraw/zinc/68/34/81/1044683481.db2.gz QALLTUQLMIMMHT-UHFFFAOYSA-N -1 1 336.731 3.523 20 5 EHBDMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000069371792 1129445537 /nfs/dbraw/zinc/44/55/37/1129445537.db2.gz CUWPKFJCRRXABS-LBPRGKRZSA-N -1 1 336.347 3.945 20 5 EHBDMM O=C(c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1)C(F)(F)F ZINC001201223150 1135999616 /nfs/dbraw/zinc/99/96/16/1135999616.db2.gz VEQYAHNEYOCWKE-UHFFFAOYSA-N -1 1 326.230 3.789 20 5 EHBDMM CCOc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000111667440 1136569801 /nfs/dbraw/zinc/56/98/01/1136569801.db2.gz ZQGPGIFYBICLMJ-UHFFFAOYSA-N -1 1 336.731 3.605 20 5 EHBDMM Cc1cc(F)cc(C(=O)[N-]c2cc(F)cc(F)c2F)c1[N+](=O)[O-] ZINC000817085518 1136777744 /nfs/dbraw/zinc/77/77/44/1136777744.db2.gz MQMZXPDOTSNXSO-UHFFFAOYSA-N -1 1 328.221 3.712 20 5 EHBDMM CC(C)c1ncc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)s1 ZINC000124150601 1137581568 /nfs/dbraw/zinc/58/15/68/1137581568.db2.gz MQLASQGTEWRNFX-UHFFFAOYSA-N -1 1 327.312 3.705 20 5 EHBDMM CC(C)c1cc([C@H]2CCC[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)[nH]n1 ZINC000877783750 1137689541 /nfs/dbraw/zinc/68/95/41/1137689541.db2.gz FIGXBCWWBLEHQR-ZDUSSCGKSA-N -1 1 344.415 3.527 20 5 EHBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000820455670 606644548 /nfs/dbraw/zinc/64/45/48/606644548.db2.gz LBVGACCKYGLYMA-SECBINFHSA-N -1 1 344.762 3.601 20 5 EHBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(c3ccsc3)CC2)c1 ZINC000593741115 974985687 /nfs/dbraw/zinc/98/56/87/974985687.db2.gz KGWAEWIZKCANJJ-UHFFFAOYSA-N -1 1 346.408 3.734 20 5 EHBDMM CC(C)c1ccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000426825627 1023070168 /nfs/dbraw/zinc/07/01/68/1023070168.db2.gz BPPNFPOUPFXDJL-QGZVFWFLSA-N -1 1 346.358 3.773 20 5 EHBDMM COCCCCN(Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000092507027 1023397922 /nfs/dbraw/zinc/39/79/22/1023397922.db2.gz GEYKIVAMXRZMPI-UHFFFAOYSA-N -1 1 344.411 3.729 20 5 EHBDMM C[C@H](c1nc(-c2ccc([O-])cc2F)no1)c1cccc([N+](=O)[O-])c1 ZINC000515916195 1025752638 /nfs/dbraw/zinc/75/26/38/1025752638.db2.gz RRBPFFRJYFLTTN-VIFPVBQESA-N -1 1 329.287 3.641 20 5 EHBDMM O=[N+]([O-])c1cc(Cl)ccc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445471608 1028816753 /nfs/dbraw/zinc/81/67/53/1028816753.db2.gz HQHMTTGANUWAOA-UHFFFAOYSA-N -1 1 335.678 3.810 20 5 EHBDMM C[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1C(=O)[O-] ZINC000424424152 1029048882 /nfs/dbraw/zinc/04/88/82/1029048882.db2.gz WCHALSZLRZMAKL-PXAZEXFGSA-N -1 1 344.367 3.540 20 5 EHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2Cl)c1C ZINC000160867026 1031110183 /nfs/dbraw/zinc/11/01/83/1031110183.db2.gz YQAKBZOVOPHVIN-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc(C)c1Br ZINC000235893529 1033768423 /nfs/dbraw/zinc/76/84/23/1033768423.db2.gz GSQRFCNVKAQMHB-UHFFFAOYSA-N -1 1 338.161 3.555 20 5 EHBDMM CCc1sc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nc1-c1ccccc1 ZINC000487256959 1040858736 /nfs/dbraw/zinc/85/87/36/1040858736.db2.gz DGLQNDZHAMHFNY-UHFFFAOYSA-N -1 1 342.380 3.861 20 5 EHBDMM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc([N+](=O)[O-])ccc1F ZINC000919688190 1123124526 /nfs/dbraw/zinc/12/45/26/1123124526.db2.gz SSKTXXCBKJWOHA-UHFFFAOYSA-N -1 1 344.327 3.505 20 5 EHBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1noc2c1CCCCC2 ZINC000282328148 1129103330 /nfs/dbraw/zinc/10/33/30/1129103330.db2.gz NWKBDCHXDWSHMK-UHFFFAOYSA-N -1 1 333.319 3.552 20 5 EHBDMM O=c1cc(CSCc2ccc([N+](=O)[O-])cc2)c2ccc([O-])cc2o1 ZINC000131351016 1137851166 /nfs/dbraw/zinc/85/11/66/1137851166.db2.gz NEDZVAPEQOIAMG-UHFFFAOYSA-N -1 1 343.360 3.840 20 5 EHBDMM CC(C)(C)c1ncsc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000175495823 1139496022 /nfs/dbraw/zinc/49/60/22/1139496022.db2.gz KSIQABIRSVDQMB-UHFFFAOYSA-N -1 1 341.339 3.879 20 5 EHBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000824656814 607447965 /nfs/dbraw/zinc/44/79/65/607447965.db2.gz NFZAMMSMJUVEHN-VIFPVBQESA-N -1 1 344.762 3.601 20 5 EHBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000824656814 607447967 /nfs/dbraw/zinc/44/79/67/607447967.db2.gz NFZAMMSMJUVEHN-VIFPVBQESA-N -1 1 344.762 3.601 20 5 EHBDMM CC(C)[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824199064 607448999 /nfs/dbraw/zinc/44/89/99/607448999.db2.gz GRRSIQHJJDZGTD-MRXNPFEDSA-N -1 1 338.371 3.584 20 5 EHBDMM CC(C)[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824199064 607449000 /nfs/dbraw/zinc/44/90/00/607449000.db2.gz GRRSIQHJJDZGTD-MRXNPFEDSA-N -1 1 338.371 3.584 20 5 EHBDMM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCCN2C(=O)[O-])CC1 ZINC000825637742 604036122 /nfs/dbraw/zinc/03/61/22/604036122.db2.gz GOWAOIDBDGIQEX-CZUORRHYSA-N -1 1 347.415 3.510 20 5 EHBDMM CC(C)[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000820027858 606644491 /nfs/dbraw/zinc/64/44/91/606644491.db2.gz USBUMDKYGSCCDX-INIZCTEOSA-N -1 1 338.371 3.584 20 5 EHBDMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000032585600 1015523865 /nfs/dbraw/zinc/52/38/65/1015523865.db2.gz RLSJPEQZFLCMHS-UHFFFAOYSA-N -1 1 334.397 3.575 20 5 EHBDMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1cccc([N+](=O)[O-])c1 ZINC000436796965 1021242258 /nfs/dbraw/zinc/24/22/58/1021242258.db2.gz LMQWYIVJBUAXGF-LBPRGKRZSA-N -1 1 336.347 3.945 20 5 EHBDMM Cc1ccc(-c2cc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3F)on2)cc1 ZINC000519879394 1021732782 /nfs/dbraw/zinc/73/27/82/1021732782.db2.gz PCYCMZQISWUDHZ-UHFFFAOYSA-N -1 1 341.298 3.950 20 5 EHBDMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(C(C)C)c([N+](=O)[O-])c2)o1 ZINC000426800163 1023053363 /nfs/dbraw/zinc/05/33/63/1023053363.db2.gz NGEZPTMZJJWJEF-HNNXBMFYSA-N -1 1 346.383 3.925 20 5 EHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000520038148 1026655338 /nfs/dbraw/zinc/65/53/38/1026655338.db2.gz IYNBDTNFRQBJHF-UHFFFAOYSA-N -1 1 334.397 3.575 20 5 EHBDMM O=[N+]([O-])c1cc(F)cc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445443169 1028801979 /nfs/dbraw/zinc/80/19/79/1028801979.db2.gz FPAXDPFXKISVEN-UHFFFAOYSA-N -1 1 335.678 3.810 20 5 EHBDMM O=[N+]([O-])c1cc(F)ccc1/C=C/c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445472236 1028819400 /nfs/dbraw/zinc/81/94/00/1028819400.db2.gz PYCMKCVWNCAQPX-ZZXKWVIFSA-N -1 1 345.261 3.799 20 5 EHBDMM O=[N+]([O-])c1ccc2c(-c3nc(-c4ccc([O-])c(F)c4)no3)c[nH]c2c1 ZINC000445482292 1028842693 /nfs/dbraw/zinc/84/26/93/1028842693.db2.gz SDRPSBVRRRYOBK-UHFFFAOYSA-N -1 1 340.270 3.638 20 5 EHBDMM O=C(Nc1ccc(Cl)cc1[O-])c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000533159238 1029387672 /nfs/dbraw/zinc/38/76/72/1029387672.db2.gz PKQDTOBQJHDZBD-UHFFFAOYSA-N -1 1 331.715 3.687 20 5 EHBDMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000446965064 1029868219 /nfs/dbraw/zinc/86/82/19/1029868219.db2.gz FHDBHODSANSDDR-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2c2ccccc2)c1 ZINC000593732876 1033880148 /nfs/dbraw/zinc/88/01/48/1033880148.db2.gz QYMAGLRMRAMLRF-MRXNPFEDSA-N -1 1 326.352 3.630 20 5 EHBDMM Cc1nc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)sc1Cc1ccccc1 ZINC000604249266 1034297604 /nfs/dbraw/zinc/29/76/04/1034297604.db2.gz NKKMRWLRJDOYLP-UHFFFAOYSA-N -1 1 342.380 3.531 20 5 EHBDMM Cc1cc(Cl)cc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c1[O-] ZINC000179804842 1034652251 /nfs/dbraw/zinc/65/22/51/1034652251.db2.gz AUCWKVCDMICAFD-UHFFFAOYSA-N -1 1 338.722 3.962 20 5 EHBDMM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000475795113 1036020829 /nfs/dbraw/zinc/02/08/29/1036020829.db2.gz WMEAYJNKFWCGLF-UHFFFAOYSA-N -1 1 338.360 3.658 20 5 EHBDMM Cc1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c(C)c1 ZINC000541778268 1036631217 /nfs/dbraw/zinc/63/12/17/1036631217.db2.gz WAVBIIDSWQZNGL-UHFFFAOYSA-N -1 1 334.397 3.629 20 5 EHBDMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C)ccc1[N+](=O)[O-] ZINC000538753548 1038517378 /nfs/dbraw/zinc/51/73/78/1038517378.db2.gz TWHCBWWSYHQTNV-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM Cc1sc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nc1-c1ccc(F)cc1 ZINC000478688947 1039621190 /nfs/dbraw/zinc/62/11/90/1039621190.db2.gz PIXMQTLIFAPXAQ-UHFFFAOYSA-N -1 1 346.343 3.746 20 5 EHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000046063791 1042214490 /nfs/dbraw/zinc/21/44/90/1042214490.db2.gz KQHKTCBEFLKHIS-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM CC(C)(C)c1nsc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000068367063 1123927371 /nfs/dbraw/zinc/92/73/71/1123927371.db2.gz IMNMDWOBUSRYND-UHFFFAOYSA-N -1 1 340.792 3.650 20 5 EHBDMM O=C(c1ccc(Cl)cc1[O-])N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154626163 1129576034 /nfs/dbraw/zinc/57/60/34/1129576034.db2.gz XNYQNISUZJPDED-UHFFFAOYSA-N -1 1 346.770 3.759 20 5 EHBDMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000030529896 1129920303 /nfs/dbraw/zinc/92/03/03/1129920303.db2.gz AYAWVPIGOHDHJH-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM O=C(Nc1cc(Cl)ccc1[O-])c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000767174311 1132958773 /nfs/dbraw/zinc/95/87/73/1132958773.db2.gz PADVYYVENZGFKE-UHFFFAOYSA-N -1 1 327.123 3.860 20 5 EHBDMM CC(C)CON=c1cc(C(F)(F)C(F)(F)F)[n-]cc1[N+](=O)[O-] ZINC000774673294 1133846088 /nfs/dbraw/zinc/84/60/88/1133846088.db2.gz CEZNLHIYQGIBET-UHFFFAOYSA-N -1 1 329.225 3.643 20 5 EHBDMM Cc1ccc([O-])c(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC000813545017 1136345486 /nfs/dbraw/zinc/34/54/86/1136345486.db2.gz RIHHJHFHKWPATK-UHFFFAOYSA-N -1 1 342.138 3.563 20 5 EHBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cc(-c2ccccc2)on1 ZINC000800145817 1137899364 /nfs/dbraw/zinc/89/93/64/1137899364.db2.gz IEMYTIAANLEJOR-UHFFFAOYSA-N -1 1 341.298 3.950 20 5 EHBDMM CCc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC000821482594 606644843 /nfs/dbraw/zinc/64/48/43/606644843.db2.gz TVEYJSRQOYGXOP-NSHDSACASA-N -1 1 338.371 3.510 20 5 EHBDMM C[C@@H](c1ccccc1)n1ccc([N-]c2ncc([N+](=O)[O-])cc2Cl)n1 ZINC000610735230 1023392510 /nfs/dbraw/zinc/39/25/10/1023392510.db2.gz LQNFXAWHDOEKHD-NSHDSACASA-N -1 1 343.774 3.615 20 5 EHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000014257029 1024870659 /nfs/dbraw/zinc/87/06/59/1024870659.db2.gz RESUCBAIPVGBIZ-UHFFFAOYSA-N -1 1 334.397 3.827 20 5 EHBDMM Cc1c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cccc1[N+](=O)[O-] ZINC000582747043 1027556546 /nfs/dbraw/zinc/55/65/46/1027556546.db2.gz BKDNNWLKIXHZCJ-UHFFFAOYSA-N -1 1 342.323 3.642 20 5 EHBDMM C[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1C(=O)[O-] ZINC000424411736 1029055004 /nfs/dbraw/zinc/05/50/04/1029055004.db2.gz BNTJTABGJNQXHW-PXAZEXFGSA-N -1 1 344.367 3.540 20 5 EHBDMM O=C([N-]c1sc2c(c1C(=O)C1CC1)CCC2)c1ccc([N+](=O)[O-])o1 ZINC000446610694 1029721625 /nfs/dbraw/zinc/72/16/25/1029721625.db2.gz NZCFHPNDNVCUKT-UHFFFAOYSA-N -1 1 346.364 3.583 20 5 EHBDMM Cc1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cn2)cc1 ZINC000483890273 1031383904 /nfs/dbraw/zinc/38/39/04/1031383904.db2.gz UAYXTMQTGWLEMI-UHFFFAOYSA-N -1 1 338.323 3.671 20 5 EHBDMM Cc1ccc2oc(C(=O)[N-]c3cc([N+](=O)[O-])c(F)cc3F)cc2n1 ZINC000171529097 1034440589 /nfs/dbraw/zinc/44/05/89/1034440589.db2.gz YBPNHZCQSBBZTL-UHFFFAOYSA-N -1 1 333.250 3.575 20 5 EHBDMM Cc1c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cccc1[N+](=O)[O-] ZINC000450968761 1034994786 /nfs/dbraw/zinc/99/47/86/1034994786.db2.gz NPUDPZPKZUWOIH-UHFFFAOYSA-N -1 1 332.381 3.581 20 5 EHBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c([O-])cccc1F ZINC000613235899 1035465414 /nfs/dbraw/zinc/46/54/14/1035465414.db2.gz RYBBNXJFQJAJES-GFCCVEGCSA-N -1 1 332.331 3.647 20 5 EHBDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000005262303 1037862609 /nfs/dbraw/zinc/86/26/09/1037862609.db2.gz NBTKNGUSOSUVFD-UHFFFAOYSA-N -1 1 340.788 3.611 20 5 EHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000554686053 1039590331 /nfs/dbraw/zinc/59/03/31/1039590331.db2.gz VSCBPRPJWRLCOF-UHFFFAOYSA-N -1 1 342.323 3.642 20 5 EHBDMM O=C(Nc1cc(Cl)ccc1[O-])c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000054141319 1039780268 /nfs/dbraw/zinc/78/02/68/1039780268.db2.gz GHEXCJRZWWWQSP-UHFFFAOYSA-N -1 1 331.715 3.687 20 5 EHBDMM O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000919851545 1123179593 /nfs/dbraw/zinc/17/95/93/1123179593.db2.gz POCFOKULQKSSPC-UHFFFAOYSA-N -1 1 348.790 3.819 20 5 EHBDMM Cc1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c(C(F)(F)F)o1 ZINC000769780997 1133344558 /nfs/dbraw/zinc/34/45/58/1133344558.db2.gz HKQUOYKKQAYNFQ-UHFFFAOYSA-N -1 1 332.209 3.906 20 5 EHBDMM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)S1 ZINC000102975292 1135595902 /nfs/dbraw/zinc/59/59/02/1135595902.db2.gz GYNARUZKSWRZKG-KPKJPENVSA-N -1 1 332.362 3.647 20 5 EHBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1noc(C(C)(C)C)c1C ZINC001132459141 1136008795 /nfs/dbraw/zinc/00/87/95/1136008795.db2.gz VDBRQURJUNAKNP-UHFFFAOYSA-N -1 1 347.371 3.840 20 5 EHBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1ccc(Br)o1 ZINC000800143772 1137899400 /nfs/dbraw/zinc/89/94/00/1137899400.db2.gz FFXATTFHUXOHLG-UHFFFAOYSA-N -1 1 343.108 3.650 20 5 EHBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000338196233 1138783530 /nfs/dbraw/zinc/78/35/30/1138783530.db2.gz NOKBSUOHIPIUID-RDTXWAMCSA-N -1 1 342.395 3.558 20 5 EHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1cccc(F)c1-c1nnn[n-]1 ZINC000737262735 599305627 /nfs/dbraw/zinc/30/56/27/599305627.db2.gz GBEGNQVUWATQCW-UHFFFAOYSA-N -1 1 349.709 3.668 20 5 EHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1cccc(F)c1-c1nn[n-]n1 ZINC000737262735 599305629 /nfs/dbraw/zinc/30/56/29/599305629.db2.gz GBEGNQVUWATQCW-UHFFFAOYSA-N -1 1 349.709 3.668 20 5 EHBDMM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000826055291 601655584 /nfs/dbraw/zinc/65/55/84/601655584.db2.gz XWILYGDSUCAWDY-BDJLRTHQSA-N -1 1 348.786 3.800 20 5 EHBDMM C[C@@H](C(=O)[O-])[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000826055292 601655591 /nfs/dbraw/zinc/65/55/91/601655591.db2.gz XWILYGDSUCAWDY-BZNIZROVSA-N -1 1 348.786 3.800 20 5 EHBDMM CSc1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1[N+](=O)[O-] ZINC000436880589 1021332958 /nfs/dbraw/zinc/33/29/58/1021332958.db2.gz RWGMJHAPYWQXLR-UHFFFAOYSA-N -1 1 347.327 3.878 20 5 EHBDMM Cc1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)ccc1[N+](=O)[O-] ZINC000445445735 1028804248 /nfs/dbraw/zinc/80/42/48/1028804248.db2.gz KCOJSDQPXIRIDJ-UHFFFAOYSA-N -1 1 331.715 3.979 20 5 EHBDMM O=[N+]([O-])c1ccc(Cc2nc(-c3ccc([O-])cc3F)no2)c(Cl)c1 ZINC000445460595 1028828580 /nfs/dbraw/zinc/82/85/80/1028828580.db2.gz BPRKUNVMJWOABP-UHFFFAOYSA-N -1 1 349.705 3.734 20 5 EHBDMM CCc1ccccc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481963762 1030146910 /nfs/dbraw/zinc/14/69/10/1030146910.db2.gz RWQHGXDFMOLHSA-UHFFFAOYSA-N -1 1 334.397 3.575 20 5 EHBDMM O=[N+]([O-])c1ccc(-c2nc(C3(c4ccc(F)cc4)CCC3)no2)[n-]1 ZINC000598682205 1033379695 /nfs/dbraw/zinc/37/96/95/1033379695.db2.gz AFPSUXGUXRCHTE-UHFFFAOYSA-N -1 1 328.303 3.582 20 5 EHBDMM Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Br ZINC000485638803 1039346344 /nfs/dbraw/zinc/34/63/44/1039346344.db2.gz DBGQOZRQDLBLDX-UHFFFAOYSA-N -1 1 338.161 3.555 20 5 EHBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cc(Cl)cc2F)c1 ZINC000180350566 1123990914 /nfs/dbraw/zinc/99/09/14/1123990914.db2.gz MBVJENIGOXYKBS-UHFFFAOYSA-N -1 1 342.685 3.787 20 5 EHBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1C(=O)c1ccccc1 ZINC001174772446 1132461110 /nfs/dbraw/zinc/46/11/10/1132461110.db2.gz RPTVTRUOWHNITG-UHFFFAOYSA-N -1 1 349.346 3.715 20 5 EHBDMM CCc1cc(=O)[n-]c(SCc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000767061613 1132938599 /nfs/dbraw/zinc/93/85/99/1132938599.db2.gz GGZPAKYKADVUSM-UHFFFAOYSA-N -1 1 325.777 3.599 20 5 EHBDMM CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)[nH]n1 ZINC000877783749 1137689468 /nfs/dbraw/zinc/68/94/68/1137689468.db2.gz FIGXBCWWBLEHQR-CYBMUJFWSA-N -1 1 344.415 3.527 20 5 EHBDMM O=C([O-])[C@H]1C[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC001605983377 973021158 /nfs/dbraw/zinc/02/11/58/973021158.db2.gz JISOCXUQUAKCRZ-LSDHHAIUSA-N -1 1 346.770 3.651 20 5 EHBDMM CSc1cccc(C(=O)[N-]c2c(C)noc2C2CC2)c1[N+](=O)[O-] ZINC000187044467 1014829801 /nfs/dbraw/zinc/82/98/01/1014829801.db2.gz MCXDNKIHKGWHQK-UHFFFAOYSA-N -1 1 333.369 3.743 20 5 EHBDMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1C ZINC000014253991 1024910724 /nfs/dbraw/zinc/91/07/24/1024910724.db2.gz KBDSRJHURFDRDE-UHFFFAOYSA-N -1 1 348.424 3.938 20 5 EHBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1Oc1ccncc1 ZINC000428201866 1025042695 /nfs/dbraw/zinc/04/26/95/1025042695.db2.gz SGXRLVKXMHXULF-UHFFFAOYSA-N -1 1 338.323 3.671 20 5 EHBDMM CC(C)c1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c([O-])c1 ZINC000436525600 1025827605 /nfs/dbraw/zinc/82/76/05/1025827605.db2.gz BNUHJNXHDWHQIF-UHFFFAOYSA-N -1 1 326.352 3.627 20 5 EHBDMM O=[N+]([O-])c1ccc(OCc2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445446986 1028781176 /nfs/dbraw/zinc/78/11/76/1028781176.db2.gz NMPZDDNOJTXAAW-UHFFFAOYSA-N -1 1 347.714 3.583 20 5 EHBDMM O=[N+]([O-])c1ccccc1/C=C/c1nc(-c2ccc([O-])cc2F)no1 ZINC000445453896 1028820501 /nfs/dbraw/zinc/82/05/01/1028820501.db2.gz CUVRGMLUHTZRRY-VMPITWQZSA-N -1 1 327.271 3.660 20 5 EHBDMM Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1N1CCCC1 ZINC000445819416 1029161615 /nfs/dbraw/zinc/16/16/15/1029161615.db2.gz QMFXJUQFTNEDQN-UHFFFAOYSA-N -1 1 339.355 3.549 20 5 EHBDMM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cc(-c2ccccc2F)on1 ZINC000608871037 1033927211 /nfs/dbraw/zinc/92/72/11/1033927211.db2.gz QTJMZGPUYFYSHI-UHFFFAOYSA-N -1 1 345.261 3.780 20 5 EHBDMM O=C([N-]c1cnoc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000604542237 1034417816 /nfs/dbraw/zinc/41/78/16/1034417816.db2.gz HSOLYBDJFJKHJY-UHFFFAOYSA-N -1 1 341.348 3.986 20 5 EHBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccccc2SC(C)C)n1 ZINC000191671122 1037383480 /nfs/dbraw/zinc/38/34/80/1037383480.db2.gz BMIAFYTUDSNBNY-UHFFFAOYSA-N -1 1 334.401 3.564 20 5 EHBDMM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1c([O-])cc(F)cc1F ZINC000783262203 1041209246 /nfs/dbraw/zinc/20/92/46/1041209246.db2.gz AWCPITGQFSYJIF-UHFFFAOYSA-N -1 1 343.669 3.589 20 5 EHBDMM CCCc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000032098335 1120904866 /nfs/dbraw/zinc/90/48/66/1120904866.db2.gz RVMOJXQKEFDQQU-UHFFFAOYSA-N -1 1 334.397 3.657 20 5 EHBDMM O=[N+]([O-])c1ccc(Cl)nc1[N-][C@H](c1ccccn1)C(F)(F)F ZINC001168479822 1120978657 /nfs/dbraw/zinc/97/86/57/1120978657.db2.gz ORPHTIUHCFZRTD-SNVBAGLBSA-N -1 1 332.669 3.754 20 5 EHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000216143860 1129856952 /nfs/dbraw/zinc/85/69/52/1129856952.db2.gz PUIUHPXDMZSEBQ-UHFFFAOYSA-N -1 1 334.397 3.629 20 5 EHBDMM Cc1ncc([N+](=O)[O-])cc1Nc1cc(Br)cc(F)c1[O-] ZINC001249547546 1132858981 /nfs/dbraw/zinc/85/89/81/1132858981.db2.gz SUSUMQIIRXEOSL-UHFFFAOYSA-N -1 1 342.124 3.649 20 5 EHBDMM O=C(c1c([O-])cccc1Cl)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000770036592 1133380567 /nfs/dbraw/zinc/38/05/67/1133380567.db2.gz UUEGZIXKBJMLII-UHFFFAOYSA-N -1 1 346.770 3.759 20 5 EHBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1coc(-c2ccccc2)n1 ZINC000800146118 1137899499 /nfs/dbraw/zinc/89/94/99/1137899499.db2.gz WSOUHCQUHUHVLC-UHFFFAOYSA-N -1 1 341.298 3.950 20 5 EHBDMM O=C([O-])[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC001594903701 954655009 /nfs/dbraw/zinc/65/50/09/954655009.db2.gz WOJAVRYJCNPVFS-GDBMZVCRSA-N -1 1 346.770 3.651 20 5 EHBDMM Cc1noc(C)c1[N-]C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001625783171 1014503604 /nfs/dbraw/zinc/50/36/04/1014503604.db2.gz YYRUQDYDQXANRL-UHFFFAOYSA-N -1 1 348.117 3.898 20 5 EHBDMM Cc1cccc(-c2cnc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)s2)c1 ZINC000345995011 1021486158 /nfs/dbraw/zinc/48/61/58/1021486158.db2.gz MNGISTMDPFCWIL-UHFFFAOYSA-N -1 1 328.353 3.607 20 5 EHBDMM CCCC[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000262709853 1024447927 /nfs/dbraw/zinc/44/79/27/1024447927.db2.gz OYFIZNCGSGUFOP-OAHLLOKOSA-N -1 1 332.356 3.588 20 5 EHBDMM C[C@@H](c1nc(-c2ccc([O-])cc2F)no1)c1cccc([N+](=O)[O-])c1 ZINC000515916194 1025753174 /nfs/dbraw/zinc/75/31/74/1025753174.db2.gz RRBPFFRJYFLTTN-SECBINFHSA-N -1 1 329.287 3.641 20 5 EHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2c(C)cccc2C)c1 ZINC000542731773 1128566010 /nfs/dbraw/zinc/56/60/10/1128566010.db2.gz NASKNOPCOGJTNB-UHFFFAOYSA-N -1 1 334.397 3.629 20 5 EHBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ncoc1-c1ccccc1 ZINC000112001496 1122245680 /nfs/dbraw/zinc/24/56/80/1122245680.db2.gz VVNLHUXNRHHLOL-UHFFFAOYSA-N -1 1 327.271 3.641 20 5 EHBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c([O-])cccc1F ZINC000609851200 1123674815 /nfs/dbraw/zinc/67/48/15/1123674815.db2.gz SWWYGQGOHMSAJH-VIFPVBQESA-N -1 1 336.344 3.559 20 5 EHBDMM O=S(=O)([N-]c1ccc2nc3ccccc3cc2c1)c1ccncc1 ZINC001190896106 1134764666 /nfs/dbraw/zinc/76/46/66/1134764666.db2.gz CCEYTZIHUZXGET-UHFFFAOYSA-N -1 1 335.388 3.584 20 5 EHBDMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000821123511 1137017758 /nfs/dbraw/zinc/01/77/58/1137017758.db2.gz BNQNMOUKLBKQIP-UHFFFAOYSA-N -1 1 338.772 3.692 20 5 EHBDMM C[C@@H](C(=O)[O-])[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000826054931 601658012 /nfs/dbraw/zinc/65/80/12/601658012.db2.gz SPIQCVFLQYFIMF-BDJLRTHQSA-N -1 1 348.786 3.800 20 5 EHBDMM CCc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC000821482590 606644916 /nfs/dbraw/zinc/64/49/16/606644916.db2.gz TVEYJSRQOYGXOP-LLVKDONJSA-N -1 1 338.371 3.510 20 5 EHBDMM CC[C@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001597349286 987483586 /nfs/dbraw/zinc/48/35/86/987483586.db2.gz CIDQDMYSLOUHFV-HNNXBMFYSA-N -1 1 332.331 3.673 20 5 EHBDMM CCc1nc(Cl)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c(Cl)n1 ZINC001210394246 1017949542 /nfs/dbraw/zinc/94/95/42/1017949542.db2.gz SROQUUVYUABIKY-UHFFFAOYSA-N -1 1 329.143 3.703 20 5 EHBDMM O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340676729 1019170785 /nfs/dbraw/zinc/17/07/85/1019170785.db2.gz AMQRCRDAPAOAPG-UHFFFAOYSA-N -1 1 338.323 3.708 20 5 EHBDMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1cccc([N+](=O)[O-])c1 ZINC000436796962 1021241709 /nfs/dbraw/zinc/24/17/09/1021241709.db2.gz LMQWYIVJBUAXGF-GFCCVEGCSA-N -1 1 336.347 3.945 20 5 EHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1[N+](=O)[O-] ZINC000016130727 1028964333 /nfs/dbraw/zinc/96/43/33/1028964333.db2.gz UBUFWPUYZBSNFC-UHFFFAOYSA-N -1 1 346.408 3.583 20 5 EHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(Cl)c1 ZINC000509652104 1029947147 /nfs/dbraw/zinc/94/71/47/1029947147.db2.gz ORLJKZKBZQHZID-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598710153 1033403189 /nfs/dbraw/zinc/40/31/89/1033403189.db2.gz NCJXDRPZWDIPJD-UHFFFAOYSA-N -1 1 334.397 3.629 20 5 EHBDMM O=C([O-])c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000580206158 1035422469 /nfs/dbraw/zinc/42/24/69/1035422469.db2.gz RZUPEWVFMSFLNW-UHFFFAOYSA-N -1 1 332.381 3.519 20 5 EHBDMM O=C(Nc1ccc(COc2ccccc2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000540224261 1037712494 /nfs/dbraw/zinc/71/24/94/1037712494.db2.gz WMDLVOUWNAXCGO-UHFFFAOYSA-N -1 1 337.335 3.754 20 5 EHBDMM O=C([O-])c1ccc2nc(/C=C\c3cc(O)ccc3[N+](=O)[O-])ccc2c1 ZINC000463346111 1038055861 /nfs/dbraw/zinc/05/58/61/1038055861.db2.gz RVYIOJJLROHJSG-DJWKRKHSSA-N -1 1 336.303 3.717 20 5 EHBDMM O=C(Nc1ccccc1COc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000490818636 1040764305 /nfs/dbraw/zinc/76/43/05/1040764305.db2.gz KREFTEMBEUEWCB-UHFFFAOYSA-N -1 1 337.335 3.754 20 5 EHBDMM Cc1ccc(F)cc1C1(c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CC1 ZINC000347447403 1121656727 /nfs/dbraw/zinc/65/67/27/1121656727.db2.gz MUAXNMVTYVSNFP-UHFFFAOYSA-N -1 1 328.303 3.500 20 5 EHBDMM O=C(Nc1c([O-])cccc1F)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000672910821 1129109264 /nfs/dbraw/zinc/10/92/64/1129109264.db2.gz HZJPBXYTGGPAQA-UHFFFAOYSA-N -1 1 348.333 3.778 20 5 EHBDMM O=C(c1cc2sccc2c([O-])c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000791311226 1134534923 /nfs/dbraw/zinc/53/49/23/1134534923.db2.gz HXFWATJPGPPOAX-UHFFFAOYSA-N -1 1 340.360 3.718 20 5 EHBDMM CC(C)(C)c1nsc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])n1 ZINC000267559200 1140804293 /nfs/dbraw/zinc/80/42/93/1140804293.db2.gz ZYDBNULCXZXYSW-UHFFFAOYSA-N -1 1 340.792 3.650 20 5 EHBDMM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000833680790 605176696 /nfs/dbraw/zinc/17/66/96/605176696.db2.gz OCFIDDJFLKVYKG-NSHDSACASA-N -1 1 332.356 3.608 20 5 EHBDMM O=C([O-])[C@@H]1C[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC001605983376 973020642 /nfs/dbraw/zinc/02/06/42/973020642.db2.gz JISOCXUQUAKCRZ-HUUCEWRRSA-N -1 1 346.770 3.651 20 5 EHBDMM CC(C)(C(=O)[O-])[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001589601556 987427437 /nfs/dbraw/zinc/42/74/37/987427437.db2.gz NKUAUXJQJJLNLA-INIZCTEOSA-N -1 1 346.358 3.676 20 5 EHBDMM O=c1cc(C2CC2)nc(SCc2c(F)cc([N+](=O)[O-])cc2F)[n-]1 ZINC000506430942 1023136792 /nfs/dbraw/zinc/13/67/92/1023136792.db2.gz DRQRQPZERHJZKX-UHFFFAOYSA-N -1 1 339.323 3.538 20 5 EHBDMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000474312506 1024729082 /nfs/dbraw/zinc/72/90/82/1024729082.db2.gz OHCKNIMPYZHWRZ-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000481869282 1030063044 /nfs/dbraw/zinc/06/30/44/1030063044.db2.gz NZUDNTPFTAXCAA-UHFFFAOYSA-N -1 1 348.424 3.829 20 5 EHBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2c2cccs2)c1 ZINC000593733328 1033877759 /nfs/dbraw/zinc/87/77/59/1033877759.db2.gz FLUGDTRKBAIFQN-CQSZACIVSA-N -1 1 332.381 3.692 20 5 EHBDMM O=C(Nc1c([O-])cccc1Cl)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000552782626 1039525894 /nfs/dbraw/zinc/52/58/94/1039525894.db2.gz XFIYTUSKPQZTMI-UHFFFAOYSA-N -1 1 331.715 3.687 20 5 EHBDMM CCCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000032060862 1120857298 /nfs/dbraw/zinc/85/72/98/1120857298.db2.gz KHFFDIPNPZJLOA-UHFFFAOYSA-N -1 1 340.430 3.801 20 5 EHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000032585612 1121619299 /nfs/dbraw/zinc/61/92/99/1121619299.db2.gz IWCLAMIWJSJVPG-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2s1 ZINC000917909249 1122708808 /nfs/dbraw/zinc/70/88/08/1122708808.db2.gz SNWVNCIWZDSIGB-UHFFFAOYSA-N -1 1 334.382 3.507 20 5 EHBDMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000742024764 1131684157 /nfs/dbraw/zinc/68/41/57/1131684157.db2.gz BBLTXIWCDDFEHQ-UHFFFAOYSA-N -1 1 338.360 3.658 20 5 EHBDMM O=[N+]([O-])c1ccc(Nc2ccc(F)c(Br)c2[O-])cc1 ZINC001174480396 1132382233 /nfs/dbraw/zinc/38/22/33/1132382233.db2.gz TYCKTFRSBHHGTE-UHFFFAOYSA-N -1 1 327.109 3.946 20 5 EHBDMM Cc1nc(SCc2ccc(Cl)c([N+](=O)[O-])c2)[n-]c(=O)c1C ZINC000776868843 1136749386 /nfs/dbraw/zinc/74/93/86/1136749386.db2.gz SWJRKJVVFWTZSI-UHFFFAOYSA-N -1 1 325.777 3.653 20 5 EHBDMM COc1cnc(C=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[n-]c1=O ZINC000821009173 1137015616 /nfs/dbraw/zinc/01/56/16/1137015616.db2.gz XCPKHSNLVJCAFH-VURMDHGXSA-N -1 1 339.307 3.529 20 5 EHBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000274127346 1141477478 /nfs/dbraw/zinc/47/74/78/1141477478.db2.gz VTQWCLRRRMVNGV-UHFFFAOYSA-N -1 1 340.792 3.784 20 5 EHBDMM C[C@@H](C(=O)[O-])[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000826054932 601658197 /nfs/dbraw/zinc/65/81/97/601658197.db2.gz SPIQCVFLQYFIMF-BZNIZROVSA-N -1 1 348.786 3.800 20 5 EHBDMM C[C@H](N[C@H](C(=O)[O-])c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001593196510 994155669 /nfs/dbraw/zinc/15/56/69/994155669.db2.gz VIEITGYOYVMHMH-BONVTDFDSA-N -1 1 334.759 3.725 20 5 EHBDMM Cc1nc(-c2ccccc2)sc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000345246172 1020092867 /nfs/dbraw/zinc/09/28/67/1020092867.db2.gz FUPRWBFXIRSTBS-UHFFFAOYSA-N -1 1 328.353 3.607 20 5 EHBDMM O=[N+]([O-])c1cccc(OCc2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445444491 1028799845 /nfs/dbraw/zinc/79/98/45/1028799845.db2.gz GFVULGRXDDEJRY-UHFFFAOYSA-N -1 1 347.714 3.583 20 5 EHBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N(Cc1ccsc1)c1ccccc1 ZINC000505296323 1029446527 /nfs/dbraw/zinc/44/65/27/1029446527.db2.gz SWTDTOYIDVFSPI-UHFFFAOYSA-N -1 1 327.365 3.831 20 5 EHBDMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000069371797 1129445466 /nfs/dbraw/zinc/44/54/66/1129445466.db2.gz CUWPKFJCRRXABS-GFCCVEGCSA-N -1 1 336.347 3.945 20 5 EHBDMM Cc1c([N-]c2nc3ccccn3c2[N+](=O)[O-])cnn1C1CCCC1 ZINC000767408073 1132992984 /nfs/dbraw/zinc/99/29/84/1132992984.db2.gz UNQPOLJBYMIVMK-UHFFFAOYSA-N -1 1 326.360 3.606 20 5 EHBDMM O=C(OCC1CCC(C(F)(F)F)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000770404047 1133424224 /nfs/dbraw/zinc/42/42/24/1133424224.db2.gz KWROYPICQRBWNJ-UHFFFAOYSA-N -1 1 347.289 3.826 20 5 EHBDMM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc3ccccc3c1[O-])CC2 ZINC000773985921 1133584796 /nfs/dbraw/zinc/58/47/96/1133584796.db2.gz SMDFURGTWYPTCD-UHFFFAOYSA-N -1 1 348.358 3.965 20 5 EHBDMM CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000737472676 600214001 /nfs/dbraw/zinc/21/40/01/600214001.db2.gz WNHFCAAWWMBDIF-HNNXBMFYSA-N -1 1 334.759 3.506 20 5 EHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccsc3C(F)(F)F)no2)[n-]1 ZINC000904922665 1032288792 /nfs/dbraw/zinc/28/87/92/1032288792.db2.gz JJURQQPQXOBQHR-UHFFFAOYSA-N -1 1 330.247 3.720 20 5 EHBDMM COc1cccc([C@H]2C[C@H](C)CN2Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000518991402 1021758147 /nfs/dbraw/zinc/75/81/47/1021758147.db2.gz JGCQMTMRXJTXEI-ORAYPTAESA-N -1 1 342.395 3.892 20 5 EHBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)cc1C ZINC000473775703 1022739775 /nfs/dbraw/zinc/73/97/75/1022739775.db2.gz YGOHQJSOILHKPY-UHFFFAOYSA-N -1 1 334.397 3.629 20 5 EHBDMM CC(C)c1ccc(CN[C@H](C(=O)[O-])c2ccsc2)cc1[N+](=O)[O-] ZINC000426837068 1023074716 /nfs/dbraw/zinc/07/47/16/1023074716.db2.gz WHHQSAUOTSMRNJ-HNNXBMFYSA-N -1 1 334.397 3.695 20 5 EHBDMM O=C(Nc1ccc(F)cc1OC1CCCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000610907088 1023870249 /nfs/dbraw/zinc/87/02/49/1023870249.db2.gz DUDDZVFBXAANDU-UHFFFAOYSA-N -1 1 333.319 3.636 20 5 EHBDMM CSc1cccc(C(=O)Nc2cc([O-])c(F)cc2F)c1[N+](=O)[O-] ZINC001141833965 1024736056 /nfs/dbraw/zinc/73/60/56/1024736056.db2.gz QESMDZDGRALQDR-UHFFFAOYSA-N -1 1 340.307 3.553 20 5 EHBDMM C[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C(=O)[O-] ZINC000424424818 1029048108 /nfs/dbraw/zinc/04/81/08/1029048108.db2.gz XKNNJLSUWLGLSW-YVEFUNNKSA-N -1 1 344.367 3.540 20 5 EHBDMM Cc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c(C)c1 ZINC000481970195 1030138104 /nfs/dbraw/zinc/13/81/04/1030138104.db2.gz IAZQVFUMARQQCN-UHFFFAOYSA-N -1 1 334.397 3.629 20 5 EHBDMM CC(C)(C)CN(CC(=O)[O-])Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000596656058 1034329394 /nfs/dbraw/zinc/32/93/94/1034329394.db2.gz FHFZCPUDNZIILV-UHFFFAOYSA-N -1 1 346.383 3.788 20 5 EHBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000091054606 1128440903 /nfs/dbraw/zinc/44/09/03/1128440903.db2.gz MZNOJCLVQFSDPF-UHFFFAOYSA-N -1 1 346.408 3.501 20 5 EHBDMM C[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609899668 1123690036 /nfs/dbraw/zinc/69/00/36/1123690036.db2.gz LEKXHFSSUNCMBT-SNVBAGLBSA-N -1 1 348.852 3.741 20 5 EHBDMM Cc1cccc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1[N+](=O)[O-] ZINC000615705635 1123865444 /nfs/dbraw/zinc/86/54/44/1123865444.db2.gz YAQVOJNSIVBPRC-UHFFFAOYSA-N -1 1 340.379 3.708 20 5 EHBDMM COc1ccc(C(C)=O)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1Cl ZINC001201224103 1136000175 /nfs/dbraw/zinc/00/01/75/1136000175.db2.gz IHLAWHFELHDVPO-UHFFFAOYSA-N -1 1 336.731 3.909 20 5 EHBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc([N+](=O)[O-])ccc1Cl ZINC000005568323 1137419621 /nfs/dbraw/zinc/41/96/21/1137419621.db2.gz SBEOPUJYLCIKIS-UHFFFAOYSA-N -1 1 339.666 3.548 20 5 EHBDMM CC(C)(C)c1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)Cc1ccccc1 ZINC000872007623 1137564382 /nfs/dbraw/zinc/56/43/82/1137564382.db2.gz UTNZKPJHQKRUPZ-UHFFFAOYSA-N -1 1 348.424 3.834 20 5 EHBDMM C[C@@H](CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC001592598648 978531819 /nfs/dbraw/zinc/53/18/19/978531819.db2.gz IFDHPYFSNDAXMB-QMMMGPOBSA-N -1 1 347.198 3.587 20 5 EHBDMM O=C(c1cc([O-])c2ccccc2c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000471659675 1020926139 /nfs/dbraw/zinc/92/61/39/1020926139.db2.gz SMRUFIJSCCHNQS-UHFFFAOYSA-N -1 1 334.331 3.657 20 5 EHBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000014256185 1024883853 /nfs/dbraw/zinc/88/38/53/1024883853.db2.gz VFLADHPINQBKBZ-UHFFFAOYSA-N -1 1 334.397 3.827 20 5 EHBDMM O=C(Nc1ccc(Oc2ccccc2F)nc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000428037712 1024943215 /nfs/dbraw/zinc/94/32/15/1024943215.db2.gz UPBDEQJBZWXZGJ-UHFFFAOYSA-N -1 1 342.286 3.502 20 5 EHBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000084796748 1025118448 /nfs/dbraw/zinc/11/84/48/1025118448.db2.gz HBEMIGQLYGYBMH-UHFFFAOYSA-N -1 1 327.123 3.860 20 5 EHBDMM O=C(Nc1cccc(CCC(F)(F)F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000440910262 1029279502 /nfs/dbraw/zinc/27/95/02/1029279502.db2.gz IIAOYQQTCASOCD-UHFFFAOYSA-N -1 1 327.262 3.670 20 5 EHBDMM O=C(Nc1nc2ccccc2n1-c1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343335126 1030335750 /nfs/dbraw/zinc/33/57/50/1030335750.db2.gz HONFQRCOANEUPH-UHFFFAOYSA-N -1 1 347.334 3.514 20 5 EHBDMM CCCc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000007053307 1031215734 /nfs/dbraw/zinc/21/57/34/1031215734.db2.gz ALKCCSBFEJSUID-UHFFFAOYSA-N -1 1 334.397 3.657 20 5 EHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2c(C)cccc2C)c1C ZINC000007323557 1031941832 /nfs/dbraw/zinc/94/18/32/1031941832.db2.gz JDGITAFPHKJSRF-UHFFFAOYSA-N -1 1 334.397 3.629 20 5 EHBDMM CC(C)(C)c1nc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc2o1 ZINC000604095044 1034206672 /nfs/dbraw/zinc/20/66/72/1034206672.db2.gz CFOQAYJSOALAGH-UHFFFAOYSA-N -1 1 328.328 3.614 20 5 EHBDMM Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC000491604117 1037580586 /nfs/dbraw/zinc/58/05/86/1037580586.db2.gz JIYQDPOGLCJXIV-UHFFFAOYSA-N -1 1 334.397 3.629 20 5 EHBDMM Cc1nn(-c2ccccc2)cc1[N-]c1ncc(Cl)cc1[N+](=O)[O-] ZINC000511871294 1041792809 /nfs/dbraw/zinc/79/28/09/1041792809.db2.gz DNMACOWHMJVIPH-UHFFFAOYSA-N -1 1 329.747 3.881 20 5 EHBDMM CCCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000734419339 1131233501 /nfs/dbraw/zinc/23/35/01/1131233501.db2.gz PEPKQPJRUJWERN-UHFFFAOYSA-N -1 1 334.397 3.657 20 5 EHBDMM Cc1ccsc1-c1nsc([N-]C(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000131550180 1128385207 /nfs/dbraw/zinc/38/52/07/1128385207.db2.gz FXHGLCADDJQQKO-UHFFFAOYSA-N -1 1 346.393 3.736 20 5 EHBDMM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc2ccccc2c1[O-] ZINC000193230964 1120992537 /nfs/dbraw/zinc/99/25/37/1120992537.db2.gz FQGBNKGJNSCXTD-UHFFFAOYSA-N -1 1 336.347 3.726 20 5 EHBDMM C[C@@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])c1ccccn1 ZINC001234875185 1121007493 /nfs/dbraw/zinc/00/74/93/1121007493.db2.gz DLWMLNQXRCIXGZ-MRVPVSSYSA-N -1 1 339.145 3.598 20 5 EHBDMM O=C(Nc1ccc(-c2ccccc2)cc1F)c1ccc([N+](=O)[O-])[n-]1 ZINC000918076940 1122749322 /nfs/dbraw/zinc/74/93/22/1122749322.db2.gz ODMHLYLYDKPDJC-UHFFFAOYSA-N -1 1 325.299 3.981 20 5 EHBDMM CC(C)(C)c1ncc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)s1 ZINC000920218729 1123339996 /nfs/dbraw/zinc/33/99/96/1123339996.db2.gz FWRLKZYNRKMAST-UHFFFAOYSA-N -1 1 341.339 3.879 20 5 EHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1 ZINC000055547352 1129774236 /nfs/dbraw/zinc/77/42/36/1129774236.db2.gz QLHRDAZQCMNUGR-UHFFFAOYSA-N -1 1 347.179 3.702 20 5 EHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1C(C)C ZINC000030529814 1129920277 /nfs/dbraw/zinc/92/02/77/1129920277.db2.gz NCPZIAWLJQEHDH-UHFFFAOYSA-N -1 1 334.397 3.827 20 5 EHBDMM CC[C@@H]1CN(C)c2ccccc2CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001191529257 1134880734 /nfs/dbraw/zinc/88/07/34/1134880734.db2.gz DBIWMAKGLMDMNI-MRXNPFEDSA-N -1 1 341.411 3.531 20 5 EHBDMM O=C(c1cccc(F)c1Nc1cc([O-])cc([N+](=O)[O-])c1)C(F)(F)F ZINC001201233110 1135997885 /nfs/dbraw/zinc/99/78/85/1135997885.db2.gz XSSNCEXPTPATJE-UHFFFAOYSA-N -1 1 344.220 3.928 20 5 EHBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000129537736 1137824264 /nfs/dbraw/zinc/82/42/64/1137824264.db2.gz YBFTZKJCLLHSQR-UHFFFAOYSA-N -1 1 327.123 3.860 20 5 EHBDMM Cc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)cc1[N+](=O)[O-] ZINC000832920881 601370307 /nfs/dbraw/zinc/37/03/07/601370307.db2.gz JEXIUEMATMEXDE-MEDUHNTESA-N -1 1 332.331 3.519 20 5 EHBDMM CC[C@H](N[C@H](C(=O)[O-])c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000828983368 601380289 /nfs/dbraw/zinc/38/02/89/601380289.db2.gz SSZVNFVRPYUZFJ-HOTGVXAUSA-N -1 1 332.331 3.601 20 5 EHBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000825639575 604232879 /nfs/dbraw/zinc/23/28/79/604232879.db2.gz UFNRYPFETSOPGM-ZDUSSCGKSA-N -1 1 347.415 3.510 20 5 EHBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)c(C)c1 ZINC000473770932 1022711973 /nfs/dbraw/zinc/71/19/73/1022711973.db2.gz AORPDJNLCRADJD-UHFFFAOYSA-N -1 1 334.397 3.629 20 5 EHBDMM O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000338169145 1025950361 /nfs/dbraw/zinc/95/03/61/1025950361.db2.gz IUBAVLXXJZXTIG-UHFFFAOYSA-N -1 1 348.771 3.952 20 5 EHBDMM Cn1c2ccc([N+](=O)[O-])cc2nc1-c1ccc([O-])c(Br)c1 ZINC000436655094 1025983782 /nfs/dbraw/zinc/98/37/82/1025983782.db2.gz HULBUARBPQRALE-UHFFFAOYSA-N -1 1 348.156 3.617 20 5 EHBDMM O=[N+]([O-])c1ccc(/C=C\c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445461755 1028830621 /nfs/dbraw/zinc/83/06/21/1028830621.db2.gz IHQWQWHRIGPWBJ-BAQGIRSFSA-N -1 1 327.271 3.660 20 5 EHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000192731700 1031463499 /nfs/dbraw/zinc/46/34/99/1031463499.db2.gz VHTBNHGSZVYUOX-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000460441020 1036287429 /nfs/dbraw/zinc/28/74/29/1036287429.db2.gz RVSISGQBOHXCEM-UHFFFAOYSA-N -1 1 334.397 3.693 20 5 EHBDMM O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000609160836 1036463407 /nfs/dbraw/zinc/46/34/07/1036463407.db2.gz DHHKJIDSPQIDAX-UHFFFAOYSA-N -1 1 347.334 3.719 20 5 EHBDMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000122630740 1037123355 /nfs/dbraw/zinc/12/33/55/1037123355.db2.gz VAJIVCSJZVUFOF-UHFFFAOYSA-N -1 1 338.323 3.514 20 5 EHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)F)c1 ZINC000195451992 1123443548 /nfs/dbraw/zinc/44/35/48/1123443548.db2.gz NYPACFNJNUAIMD-UHFFFAOYSA-N -1 1 342.323 3.642 20 5 EHBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(C)noc2C2CC2)c1 ZINC000154071905 1129531384 /nfs/dbraw/zinc/53/13/84/1129531384.db2.gz KDUVUNQPFLKMCH-UHFFFAOYSA-N -1 1 333.369 3.743 20 5 EHBDMM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000766038826 1129883325 /nfs/dbraw/zinc/88/33/25/1129883325.db2.gz SDMBKBDBOWUHPS-UHFFFAOYSA-N -1 1 327.384 3.813 20 5 EHBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc(F)c(F)cc1F ZINC000126390274 1137672259 /nfs/dbraw/zinc/67/22/59/1137672259.db2.gz XFSCUVGQVRRQEV-UHFFFAOYSA-N -1 1 332.184 3.543 20 5 EHBDMM Cc1nc(Cl)sc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000129223680 1137815219 /nfs/dbraw/zinc/81/52/19/1137815219.db2.gz YCXJODRNUKLUKK-UHFFFAOYSA-N -1 1 333.703 3.544 20 5 EHBDMM CCSCc1cc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)no1 ZINC000800146159 1137899462 /nfs/dbraw/zinc/89/94/62/1137899462.db2.gz XZAQUXYLDDNXON-UHFFFAOYSA-N -1 1 339.348 3.536 20 5 EHBDMM CC(C)(NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC001137234962 1138185383 /nfs/dbraw/zinc/18/53/83/1138185383.db2.gz XRZLEMMKJFNUER-UHFFFAOYSA-N -1 1 348.786 3.548 20 5 EHBDMM C[C@H](C(=O)[O-])[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000826054934 601658151 /nfs/dbraw/zinc/65/81/51/601658151.db2.gz SPIQCVFLQYFIMF-ZBEGNZNMSA-N -1 1 348.786 3.800 20 5 EHBDMM C[C@H](C(=O)[O-])N(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCC1 ZINC001589486703 987034052 /nfs/dbraw/zinc/03/40/52/987034052.db2.gz LBUNFDLAHWOPFC-GFCCVEGCSA-N -1 1 344.367 3.682 20 5 EHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1[N+](=O)[O-] ZINC000536701106 1032161946 /nfs/dbraw/zinc/16/19/46/1032161946.db2.gz PUOISFSNOCBWFS-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM CC(C)COc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000546339330 1024566166 /nfs/dbraw/zinc/56/61/66/1024566166.db2.gz GBPGFAZMPDBLMX-UHFFFAOYSA-N -1 1 328.328 3.675 20 5 EHBDMM O=C(Nc1ccc2nc(C3CC3)sc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000346764795 1025066093 /nfs/dbraw/zinc/06/60/93/1025066093.db2.gz GLRZDTCGMHFHKL-UHFFFAOYSA-N -1 1 328.353 3.662 20 5 EHBDMM C[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)c1cccc([N+](=O)[O-])c1 ZINC000521112430 1025217594 /nfs/dbraw/zinc/21/75/94/1025217594.db2.gz NBBFIDPMRVRKSM-VIFPVBQESA-N -1 1 329.287 3.641 20 5 EHBDMM CCc1cc(Br)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000127550602 1026087193 /nfs/dbraw/zinc/08/71/93/1026087193.db2.gz RMIGNEBFRUSJJB-UHFFFAOYSA-N -1 1 338.161 3.500 20 5 EHBDMM CCc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)s1 ZINC000342972819 1028458607 /nfs/dbraw/zinc/45/86/07/1028458607.db2.gz REDROUSWDSKFNW-UHFFFAOYSA-N -1 1 348.409 3.923 20 5 EHBDMM C[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C(=O)[O-] ZINC000424424154 1029047218 /nfs/dbraw/zinc/04/72/18/1029047218.db2.gz WCHALSZLRZMAKL-SJKOYZFVSA-N -1 1 344.367 3.540 20 5 EHBDMM CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC001648799767 1120040403 /nfs/dbraw/zinc/04/04/03/1120040403.db2.gz UFRMCESXOAWBON-CYBMUJFWSA-N -1 1 327.384 3.788 20 5 EHBDMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000032098418 1120904534 /nfs/dbraw/zinc/90/45/34/1120904534.db2.gz JPGDESMNCWWELT-UHFFFAOYSA-N -1 1 334.397 3.657 20 5 EHBDMM CCO[C@H](C)c1ncc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)s1 ZINC000744357090 1132080206 /nfs/dbraw/zinc/08/02/06/1132080206.db2.gz GIJQGZPUGULXLH-MRVPVSSYSA-N -1 1 339.348 3.540 20 5 EHBDMM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1c([O-])cc(F)cc1F ZINC000746072027 1132366676 /nfs/dbraw/zinc/36/66/76/1132366676.db2.gz DQVOAMIPHZCPPC-UHFFFAOYSA-N -1 1 343.669 3.589 20 5 EHBDMM CC(C)Cc1nsc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])n1 ZINC000857317597 1136863482 /nfs/dbraw/zinc/86/34/82/1136863482.db2.gz VETZZKPJODDIHV-UHFFFAOYSA-N -1 1 340.792 3.551 20 5 EHBDMM CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000263904003 1138389919 /nfs/dbraw/zinc/38/99/19/1138389919.db2.gz CTXNGLIEXPYOGK-UHFFFAOYSA-N -1 1 346.343 3.522 20 5 EHBDMM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000826055313 601653666 /nfs/dbraw/zinc/65/36/66/601653666.db2.gz YMGMXSHBEBQQLQ-MEDUHNTESA-N -1 1 348.786 3.800 20 5 EHBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000820455486 606644589 /nfs/dbraw/zinc/64/45/89/606644589.db2.gz IUJNIESQBGGQDY-VIFPVBQESA-N -1 1 344.762 3.601 20 5 EHBDMM C[C@@H](CSc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC001575185060 952427978 /nfs/dbraw/zinc/42/79/78/952427978.db2.gz KJEWQARQEPZIPH-NSHDSACASA-N -1 1 341.396 3.671 20 5 EHBDMM C[C@@H](CSc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC001575185060 952427980 /nfs/dbraw/zinc/42/79/80/952427980.db2.gz KJEWQARQEPZIPH-NSHDSACASA-N -1 1 341.396 3.671 20 5 EHBDMM CC[C@H]1Cc2ccccc2CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001595500384 981272093 /nfs/dbraw/zinc/27/20/93/981272093.db2.gz ZACBFAXJHIICLF-KRWDZBQOSA-N -1 1 340.379 3.630 20 5 EHBDMM CC(C)(NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001590870365 990771672 /nfs/dbraw/zinc/77/16/72/990771672.db2.gz CQMZBPQVKZKXGO-UHFFFAOYSA-N -1 1 348.786 3.971 20 5 EHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000135681333 1027647259 /nfs/dbraw/zinc/64/72/59/1027647259.db2.gz NRYIESVWJWRVRS-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c([O-])cccc1F ZINC000613235901 1028641803 /nfs/dbraw/zinc/64/18/03/1028641803.db2.gz RYBBNXJFQJAJES-LBPRGKRZSA-N -1 1 332.331 3.647 20 5 EHBDMM CCc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1[N+](=O)[O-] ZINC000445463125 1028808677 /nfs/dbraw/zinc/80/86/77/1028808677.db2.gz NOUVHGLBHBFQGY-UHFFFAOYSA-N -1 1 329.287 3.719 20 5 EHBDMM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000063803314 1033745079 /nfs/dbraw/zinc/74/50/79/1033745079.db2.gz LHSFMHGAVGYEKP-UHFFFAOYSA-N -1 1 338.772 3.928 20 5 EHBDMM Cc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(C)c1 ZINC000491604985 1037580556 /nfs/dbraw/zinc/58/05/56/1037580556.db2.gz RCCXQCBJIOAZQM-UHFFFAOYSA-N -1 1 348.424 3.938 20 5 EHBDMM CCc1ccccc1S(=O)(=O)[N-]c1c(C)ccc([N+](=O)[O-])c1C ZINC000188138657 1038108383 /nfs/dbraw/zinc/10/83/83/1038108383.db2.gz MSKUBWXGOOCJKF-UHFFFAOYSA-N -1 1 334.397 3.575 20 5 EHBDMM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183416779 1125556519 /nfs/dbraw/zinc/55/65/19/1125556519.db2.gz QYIFEORBCGESQP-MRVPVSSYSA-N -1 1 338.722 3.835 20 5 EHBDMM Cc1ccc(-c2nsc([N-]C(=O)c3ccccc3[N+](=O)[O-])n2)s1 ZINC000066413302 1129166884 /nfs/dbraw/zinc/16/68/84/1129166884.db2.gz DUWCIAWBSCXQMD-UHFFFAOYSA-N -1 1 346.393 3.736 20 5 EHBDMM Cc1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)nc1 ZINC000733280256 1131017253 /nfs/dbraw/zinc/01/72/53/1131017253.db2.gz YMKREZMCMMRQEA-UHFFFAOYSA-N -1 1 338.323 3.671 20 5 EHBDMM O=c1cc(C(F)F)nc(SCc2ccc(Cl)c([N+](=O)[O-])c2)[n-]1 ZINC000809987007 1135909187 /nfs/dbraw/zinc/90/91/87/1135909187.db2.gz RYVARZVZCCRFHT-UHFFFAOYSA-N -1 1 347.730 3.974 20 5 EHBDMM Cc1nc(SCc2ccc([N+](=O)[O-])c(F)c2)[n-]c(=O)c1C1CC1 ZINC000865373398 1137278171 /nfs/dbraw/zinc/27/81/71/1137278171.db2.gz SDJHMZCZOJOUEX-UHFFFAOYSA-N -1 1 335.360 3.708 20 5 EHBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1cc(F)cc(F)c1F ZINC000348117239 1137442467 /nfs/dbraw/zinc/44/24/67/1137442467.db2.gz KHCMOPAADNGUMB-UHFFFAOYSA-N -1 1 340.257 3.663 20 5 EHBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)cc(F)c2F)c1 ZINC000348121020 1137442709 /nfs/dbraw/zinc/44/27/09/1137442709.db2.gz PUDFWKPVPTVXHK-UHFFFAOYSA-N -1 1 340.257 3.663 20 5 EHBDMM Cc1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C(C)C)ns2)cc1Cl ZINC000874692154 1137621202 /nfs/dbraw/zinc/62/12/02/1137621202.db2.gz RRSKZORHZJRWHH-UHFFFAOYSA-N -1 1 340.792 3.784 20 5 EHBDMM CCc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1 ZINC000825704931 607448696 /nfs/dbraw/zinc/44/86/96/607448696.db2.gz QUKRIHSSXLMVAU-LLVKDONJSA-N -1 1 338.371 3.510 20 5 EHBDMM CCc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1 ZINC000825704931 607448697 /nfs/dbraw/zinc/44/86/97/607448697.db2.gz QUKRIHSSXLMVAU-LLVKDONJSA-N -1 1 338.371 3.510 20 5 EHBDMM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000826055311 601653608 /nfs/dbraw/zinc/65/36/08/601653608.db2.gz YMGMXSHBEBQQLQ-BDJLRTHQSA-N -1 1 348.786 3.800 20 5 EHBDMM C[C@H](C(=O)[O-])[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000833406432 605215051 /nfs/dbraw/zinc/21/50/51/605215051.db2.gz GBUAWGHCELAQOE-MEDUHNTESA-N -1 1 348.786 3.800 20 5 EHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccsc2Cl)c1C ZINC000189736300 1016705326 /nfs/dbraw/zinc/70/53/26/1016705326.db2.gz WLDAMKAHGTWDHS-UHFFFAOYSA-N -1 1 346.817 3.727 20 5 EHBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1CC ZINC000580504935 1019518711 /nfs/dbraw/zinc/51/87/11/1019518711.db2.gz UVDCPHUVDYTEAY-UHFFFAOYSA-N -1 1 334.397 3.520 20 5 EHBDMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007409026 1024215786 /nfs/dbraw/zinc/21/57/86/1024215786.db2.gz FFLALCYUEGSDJA-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2c1CCCC2 ZINC000030529844 1129920372 /nfs/dbraw/zinc/92/03/72/1129920372.db2.gz GTNZGBILUCBPJW-UHFFFAOYSA-N -1 1 346.408 3.583 20 5 EHBDMM O=C(c1c([O-])cccc1Cl)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000770073132 1133384332 /nfs/dbraw/zinc/38/43/32/1133384332.db2.gz AMVGPABARPDQJA-UHFFFAOYSA-N -1 1 346.770 3.759 20 5 EHBDMM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cccc2cc3ccccc3cc21 ZINC001193263055 1135119350 /nfs/dbraw/zinc/11/93/50/1135119350.db2.gz XSWDXUKRQJZYLP-KRWDZBQOSA-N -1 1 341.432 3.914 20 5 EHBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1ccoc1C(F)(F)F ZINC000813242621 1136307949 /nfs/dbraw/zinc/30/79/49/1136307949.db2.gz BJBYACLOCVBHJD-UHFFFAOYSA-N -1 1 332.209 3.906 20 5 EHBDMM COc1cnc(C=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[n-]c1=O ZINC000821009170 1137015470 /nfs/dbraw/zinc/01/54/70/1137015470.db2.gz XCPKHSNLVJCAFH-SOFGYWHQSA-N -1 1 339.307 3.529 20 5 EHBDMM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000339076708 1137383497 /nfs/dbraw/zinc/38/34/97/1137383497.db2.gz BDKCMUKXBCRSGC-AWEZNQCLSA-N -1 1 341.411 3.751 20 5 EHBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000824656813 607448168 /nfs/dbraw/zinc/44/81/68/607448168.db2.gz NFZAMMSMJUVEHN-SECBINFHSA-N -1 1 344.762 3.601 20 5 EHBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000824656813 607448170 /nfs/dbraw/zinc/44/81/70/607448170.db2.gz NFZAMMSMJUVEHN-SECBINFHSA-N -1 1 344.762 3.601 20 5 EHBDMM CC(C)N(Cc1ccsc1C(=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000574458774 601809622 /nfs/dbraw/zinc/80/96/22/601809622.db2.gz VRNXQYZWYGLVAQ-UHFFFAOYSA-N -1 1 334.397 3.765 20 5 EHBDMM CC(C)Cc1nnc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])s1 ZINC000175748579 1015023044 /nfs/dbraw/zinc/02/30/44/1015023044.db2.gz XOWRBKRLRUQOJZ-UHFFFAOYSA-N -1 1 340.792 3.551 20 5 EHBDMM CCOc1cccc([C@@H](C)NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001597148742 986913174 /nfs/dbraw/zinc/91/31/74/986913174.db2.gz FCMBKCQDGGGYAQ-GFCCVEGCSA-N -1 1 344.367 3.543 20 5 EHBDMM Nc1ccc2n(-c3ccc([O-])c(F)c3F)c3ccccc3cc-2c1=O ZINC001212016316 1028741040 /nfs/dbraw/zinc/74/10/40/1028741040.db2.gz JZCGLEMGPIFJLA-UHFFFAOYSA-N -1 1 338.313 3.662 20 5 EHBDMM CC(C)c1[nH]nc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1[N+](=O)[O-] ZINC000445444003 1028803375 /nfs/dbraw/zinc/80/33/75/1028803375.db2.gz DOWXFQJMAJSJMY-UHFFFAOYSA-N -1 1 349.734 3.517 20 5 EHBDMM O=[N+]([O-])c1cc(Cl)cc(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445458229 1028829028 /nfs/dbraw/zinc/82/90/28/1028829028.db2.gz XDQKRGKKGXAMBS-UHFFFAOYSA-N -1 1 335.678 3.810 20 5 EHBDMM CC(C)(c1nc(-c2ccc([O-])c(F)c2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445476923 1028856224 /nfs/dbraw/zinc/85/62/24/1028856224.db2.gz KAHOBASQCLQAAW-UHFFFAOYSA-N -1 1 343.314 3.815 20 5 EHBDMM Cc1sc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)cc1[N+](=O)[O-] ZINC000163915940 1041097467 /nfs/dbraw/zinc/09/74/67/1041097467.db2.gz FNIBRSYBOJSYAS-UHFFFAOYSA-N -1 1 346.817 3.727 20 5 EHBDMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000032595501 1127853747 /nfs/dbraw/zinc/85/37/47/1127853747.db2.gz AWRCQJFSGUOMRM-UHFFFAOYSA-N -1 1 334.397 3.657 20 5 EHBDMM Cc1c(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)oc2c1C(=O)CCC2 ZINC000282220157 1128100499 /nfs/dbraw/zinc/10/04/99/1128100499.db2.gz HEWWGYAVIDJXEO-UHFFFAOYSA-N -1 1 346.314 3.715 20 5 EHBDMM O=C(Nc1cccc(N2CCCCCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000265869335 1129562800 /nfs/dbraw/zinc/56/28/00/1129562800.db2.gz INTRXHNQUGCORI-UHFFFAOYSA-N -1 1 328.372 3.556 20 5 EHBDMM CCSCc1cc(C(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2F)no1 ZINC000282575307 1131102789 /nfs/dbraw/zinc/10/27/89/1131102789.db2.gz ZEJVRWMFKCBYEV-UHFFFAOYSA-N -1 1 339.348 3.536 20 5 EHBDMM CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001184532941 1133949859 /nfs/dbraw/zinc/94/98/59/1133949859.db2.gz BOBMXIZOJXUUQZ-NSHDSACASA-N -1 1 348.852 3.741 20 5 EHBDMM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc([O-])c3ccccc3c1)CC2 ZINC000792297617 1134676904 /nfs/dbraw/zinc/67/69/04/1134676904.db2.gz AEMLTQDTEYTSTA-UHFFFAOYSA-N -1 1 348.358 3.965 20 5 EHBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1sccc1OC(F)F ZINC000105364927 1135944636 /nfs/dbraw/zinc/94/46/36/1135944636.db2.gz WOHBYQFEBMWEBG-UHFFFAOYSA-N -1 1 332.259 3.649 20 5 EHBDMM CC(C)(C(=O)[O-])[C@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000833414970 605181452 /nfs/dbraw/zinc/18/14/52/605181452.db2.gz QEVOYVLPDCSDMM-CQSZACIVSA-N -1 1 334.397 3.598 20 5 EHBDMM O=C([O-])[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC001594903704 954654848 /nfs/dbraw/zinc/65/48/48/954654848.db2.gz WOJAVRYJCNPVFS-GOEBONIOSA-N -1 1 346.770 3.651 20 5 EHBDMM CCc1ccc([C@H](C)NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001597563301 988314199 /nfs/dbraw/zinc/31/41/99/988314199.db2.gz IBUUWQGZLKPRFG-LBPRGKRZSA-N -1 1 328.368 3.706 20 5 EHBDMM O=[N+]([O-])c1cccc(-c2ccc(C[N-]c3nnc(C(F)F)o3)o2)c1 ZINC000189289580 1016502730 /nfs/dbraw/zinc/50/27/30/1016502730.db2.gz HCRTUAIICMCEFF-UHFFFAOYSA-N -1 1 336.254 3.788 20 5 EHBDMM CC(C)c1ccc(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c([O-])c1 ZINC000437000678 1021470672 /nfs/dbraw/zinc/47/06/72/1021470672.db2.gz PALPIFQEYIJBNG-UHFFFAOYSA-N -1 1 340.339 3.723 20 5 EHBDMM O=C([N-]c1ncn(C2CCCCC2)n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000185966764 1024077742 /nfs/dbraw/zinc/07/77/42/1024077742.db2.gz GRPAHDVFBYNPEB-UHFFFAOYSA-N -1 1 349.778 3.597 20 5 EHBDMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000014257028 1024874502 /nfs/dbraw/zinc/87/45/02/1024874502.db2.gz SYLFSPKKZBZYTH-UHFFFAOYSA-N -1 1 334.397 3.657 20 5 EHBDMM O=C(Nc1cc(F)ccc1[O-])c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000340330373 1026973548 /nfs/dbraw/zinc/97/35/48/1026973548.db2.gz YLGBSRRYJMEQFT-UHFFFAOYSA-N -1 1 344.220 3.711 20 5 EHBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2c2ccsc2)c1 ZINC000593733024 1033878576 /nfs/dbraw/zinc/87/85/76/1033878576.db2.gz UUUZSBJDKGVUDA-AWEZNQCLSA-N -1 1 332.381 3.692 20 5 EHBDMM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc([O-])c(Cl)c1 ZINC000111666288 1042277999 /nfs/dbraw/zinc/27/79/99/1042277999.db2.gz HKZUAVYIRSNLAT-UHFFFAOYSA-N -1 1 338.772 3.685 20 5 EHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1C(C)C ZINC000032586059 1121619378 /nfs/dbraw/zinc/61/93/78/1121619378.db2.gz CUAQOKFDFRLZFX-UHFFFAOYSA-N -1 1 334.397 3.827 20 5 EHBDMM O=C(c1c([O-])cccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000770150615 1133394014 /nfs/dbraw/zinc/39/40/14/1133394014.db2.gz OPLUKVPLRZTXGH-UHFFFAOYSA-N -1 1 346.770 3.759 20 5 EHBDMM Cc1sc(C)c2c1[n-]c(Cc1cccc([N+](=O)[O-])c1C)nc2=O ZINC000864355390 1137223149 /nfs/dbraw/zinc/22/31/49/1137223149.db2.gz LXRFPPIRTGOHBE-UHFFFAOYSA-N -1 1 329.381 3.821 20 5 EHBDMM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000185960185 1140179744 /nfs/dbraw/zinc/17/97/44/1140179744.db2.gz RHSLRTYSRPKGMB-UHFFFAOYSA-N -1 1 349.778 3.597 20 5 EHBDMM CC[C@@](NCc1ccc(Cl)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000736921202 600216141 /nfs/dbraw/zinc/21/61/41/600216141.db2.gz XQKPWDDQTKDJQN-KRWDZBQOSA-N -1 1 348.786 3.728 20 5 EHBDMM CC(C)c1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1[N+](=O)[O-] ZINC000426802306 974048629 /nfs/dbraw/zinc/04/86/29/974048629.db2.gz VMKJGIWJTLEFFM-KRWDZBQOSA-N -1 1 346.358 3.773 20 5 EHBDMM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001593196511 994155616 /nfs/dbraw/zinc/15/56/16/994155616.db2.gz VIEITGYOYVMHMH-MEBBXXQBSA-N -1 1 334.759 3.725 20 5 EHBDMM CCOc1ccc(F)c([N-]C(=O)c2csc([N+](=O)[O-])c2)c1F ZINC000340431188 1017770159 /nfs/dbraw/zinc/77/01/59/1017770159.db2.gz ORNHSNWUYQNHAX-UHFFFAOYSA-N -1 1 328.296 3.586 20 5 EHBDMM CC(C)(C)c1ccc(C(=O)Nc2cccc([O-])c2F)cc1[N+](=O)[O-] ZINC000128248667 1033148701 /nfs/dbraw/zinc/14/87/01/1033148701.db2.gz ONEGTONFEPOLBZ-UHFFFAOYSA-N -1 1 332.331 3.989 20 5 EHBDMM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NC(C)C)cc1 ZINC000451097815 1025557448 /nfs/dbraw/zinc/55/74/48/1025557448.db2.gz UBDZNTDBYSZKRZ-UHFFFAOYSA-N -1 1 349.412 3.524 20 5 EHBDMM O=C(Nc1ccc(F)cc1[O-])c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444253032 1025975311 /nfs/dbraw/zinc/97/53/11/1025975311.db2.gz WXIXRVNWVNPIMG-UHFFFAOYSA-N -1 1 348.333 3.778 20 5 EHBDMM CSc1cccc(C(=O)[N-]c2nnc(C(C)C)s2)c1[N+](=O)[O-] ZINC000186018486 1026102714 /nfs/dbraw/zinc/10/27/14/1026102714.db2.gz QILOJBAALPINFM-UHFFFAOYSA-N -1 1 338.414 3.544 20 5 EHBDMM O=C(c1cc2ccccc2cc1[O-])N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088251901 1027396037 /nfs/dbraw/zinc/39/60/37/1027396037.db2.gz QCICLBULMACNAT-UHFFFAOYSA-N -1 1 348.358 3.652 20 5 EHBDMM Cc1c(Cc2nc(-c3ccc([O-])cc3Cl)no2)cccc1[N+](=O)[O-] ZINC000445449509 1028782146 /nfs/dbraw/zinc/78/21/46/1028782146.db2.gz VAIDJJITKVIQQA-UHFFFAOYSA-N -1 1 345.742 3.903 20 5 EHBDMM O=[N+]([O-])c1ccccc1/C=C\c1nc(-c2ccc([O-])cc2F)no1 ZINC000445453899 1028821509 /nfs/dbraw/zinc/82/15/09/1028821509.db2.gz CUVRGMLUHTZRRY-YVMONPNESA-N -1 1 327.271 3.660 20 5 EHBDMM CCc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000007323621 1031940895 /nfs/dbraw/zinc/94/08/95/1031940895.db2.gz ZBXCUOVUFXWSLU-UHFFFAOYSA-N -1 1 334.397 3.575 20 5 EHBDMM Cc1sc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nc1-c1ccccc1 ZINC000604248970 1034297697 /nfs/dbraw/zinc/29/76/97/1034297697.db2.gz PYHLNMIBDJVCCU-UHFFFAOYSA-N -1 1 328.353 3.607 20 5 EHBDMM O=C(Nc1cc(Cl)ccc1[O-])c1cc(Cl)ccc1[N+](=O)[O-] ZINC000179459491 1034326895 /nfs/dbraw/zinc/32/68/95/1034326895.db2.gz OEIPYPBMDASNOP-UHFFFAOYSA-N -1 1 327.123 3.860 20 5 EHBDMM O=C(c1ccc2ccccc2c1[O-])N1CCc2c1cccc2[N+](=O)[O-] ZINC000172421838 1035504033 /nfs/dbraw/zinc/50/40/33/1035504033.db2.gz KGWOFRQSCOOWOJ-UHFFFAOYSA-N -1 1 334.331 3.657 20 5 EHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000031555871 1037689936 /nfs/dbraw/zinc/68/99/36/1037689936.db2.gz TZSOZNLZFRTULR-UHFFFAOYSA-N -1 1 334.397 3.827 20 5 EHBDMM CCn1c(C2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)n[n-]c1=S ZINC000092652581 1040538981 /nfs/dbraw/zinc/53/89/81/1040538981.db2.gz HVKFQJCHLXAASY-UHFFFAOYSA-N -1 1 347.444 3.561 20 5 EHBDMM O=c1[n-]c(-c2ccc(OCCO)cc2)nc2cc3ccccc3cc12 ZINC000304060497 1121208563 /nfs/dbraw/zinc/20/85/63/1121208563.db2.gz OROWCAMEXVQBLA-UHFFFAOYSA-N -1 1 332.359 3.527 20 5 EHBDMM CC(C)(C)Sc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)nc1 ZINC000762391480 1121275267 /nfs/dbraw/zinc/27/52/67/1121275267.db2.gz RRHNZQBONBJKEM-UHFFFAOYSA-N -1 1 345.384 3.926 20 5 EHBDMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000030529776 1129920193 /nfs/dbraw/zinc/92/01/93/1129920193.db2.gz ODCSTNOBXPAQTC-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM CCO[C@@H](C)c1ncc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)s1 ZINC000744357091 1132079748 /nfs/dbraw/zinc/07/97/48/1132079748.db2.gz GIJQGZPUGULXLH-QMMMGPOBSA-N -1 1 339.348 3.540 20 5 EHBDMM C[C@H](C(=O)[O-])[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000826055293 601655619 /nfs/dbraw/zinc/65/56/19/601655619.db2.gz XWILYGDSUCAWDY-MEDUHNTESA-N -1 1 348.786 3.800 20 5 EHBDMM C[C@H](C(=O)[O-])[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000826054933 601658020 /nfs/dbraw/zinc/65/80/20/601658020.db2.gz SPIQCVFLQYFIMF-MEDUHNTESA-N -1 1 348.786 3.800 20 5 EHBDMM O=C([O-])[C@H]1C[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC001605983375 973021355 /nfs/dbraw/zinc/02/13/55/973021355.db2.gz JISOCXUQUAKCRZ-GJZGRUSLSA-N -1 1 346.770 3.651 20 5 EHBDMM Cc1cc(C)cc([C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C(=O)[O-])c1 ZINC000756391727 978700153 /nfs/dbraw/zinc/70/01/53/978700153.db2.gz ZFCFXPHTUTXSJZ-INIZCTEOSA-N -1 1 348.786 3.781 20 5 EHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000006315855 1014753010 /nfs/dbraw/zinc/75/30/10/1014753010.db2.gz RXINENAJZUXOMR-UHFFFAOYSA-N -1 1 346.408 3.583 20 5 EHBDMM CCCc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000536893121 1032403583 /nfs/dbraw/zinc/40/35/83/1032403583.db2.gz IOHSFPXXUQTBHA-UHFFFAOYSA-N -1 1 348.424 3.965 20 5 EHBDMM COc1cccc([C@H]2C[C@H](N(C)Cc3cc([O-])ccc3[N+](=O)[O-])C2)c1 ZINC000449755316 1033174848 /nfs/dbraw/zinc/17/48/48/1033174848.db2.gz MOINECUPPSSIHE-KOMQPUFPSA-N -1 1 342.395 3.687 20 5 EHBDMM O=C(Nc1ccc(F)cc1[O-])c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000340333010 1026976138 /nfs/dbraw/zinc/97/61/38/1026976138.db2.gz PWPGNCLMGOZIEQ-UHFFFAOYSA-N -1 1 344.220 3.711 20 5 EHBDMM O=c1cc(C2CC2)nc(SCc2ccc(Cl)c([N+](=O)[O-])c2)[n-]1 ZINC000787486107 1134012216 /nfs/dbraw/zinc/01/22/16/1134012216.db2.gz LHVYHYNGVBTKOX-UHFFFAOYSA-N -1 1 337.788 3.914 20 5 EHBDMM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)S1 ZINC000810192296 1135936489 /nfs/dbraw/zinc/93/64/89/1135936489.db2.gz FYTLZUYOLANEHB-KPKJPENVSA-N -1 1 332.362 3.647 20 5 EHBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ccoc1C(F)(F)F ZINC000812856191 1136255226 /nfs/dbraw/zinc/25/52/26/1136255226.db2.gz NSAHFCXRMZZZFO-UHFFFAOYSA-N -1 1 336.172 3.737 20 5 EHBDMM Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000338169796 1138772794 /nfs/dbraw/zinc/77/27/94/1138772794.db2.gz NBINJHPJWKQMEZ-UHFFFAOYSA-N -1 1 340.314 3.685 20 5 EHBDMM CC[C@@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000828983369 601380297 /nfs/dbraw/zinc/38/02/97/601380297.db2.gz SSZVNFVRPYUZFJ-HZPDHXFCSA-N -1 1 332.331 3.601 20 5 EHBDMM Cc1cc(N2Cc3ccc(C(=O)[O-])cc3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000833745773 605268280 /nfs/dbraw/zinc/26/82/80/605268280.db2.gz DEFFSSXXJGYYBM-UHFFFAOYSA-N -1 1 349.346 3.670 20 5 EHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccsc2Cl)c1[N+](=O)[O-] ZINC000189351295 1016516337 /nfs/dbraw/zinc/51/63/37/1016516337.db2.gz XUOJEDWONVZKQA-UHFFFAOYSA-N -1 1 346.817 3.727 20 5 EHBDMM Cc1nc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)cs1 ZINC000340443267 1017842652 /nfs/dbraw/zinc/84/26/52/1017842652.db2.gz FHNYMTRJZWXECC-UHFFFAOYSA-N -1 1 328.353 3.607 20 5 EHBDMM CCc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 ZINC000015243591 1019935771 /nfs/dbraw/zinc/93/57/71/1019935771.db2.gz MEQSKRMXYNYZKJ-UHFFFAOYSA-N -1 1 334.397 3.575 20 5 EHBDMM O=C([N-]c1c(F)cc(F)cc1F)c1cc([N+](=O)[O-])ccc1Cl ZINC000172975877 1033065447 /nfs/dbraw/zinc/06/54/47/1033065447.db2.gz HWDUUHHMKCBXIP-UHFFFAOYSA-N -1 1 330.649 3.918 20 5 EHBDMM O=c1cc(C2CC2)nc(SCc2ccc(Cl)cc2[N+](=O)[O-])[n-]1 ZINC000436253612 1025510510 /nfs/dbraw/zinc/51/05/10/1025510510.db2.gz PNWLISFZGWMFIX-UHFFFAOYSA-N -1 1 337.788 3.914 20 5 EHBDMM CC(C)(C)c1ccc(NC(=O)c2ccc([O-])cc2F)cc1[N+](=O)[O-] ZINC000436711199 1026078751 /nfs/dbraw/zinc/07/87/51/1026078751.db2.gz FEACHRKGSFXAQY-UHFFFAOYSA-N -1 1 332.331 3.989 20 5 EHBDMM O=[N+]([O-])c1cccc(/C=C\c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445478034 1028838657 /nfs/dbraw/zinc/83/86/57/1028838657.db2.gz PHVOCKLGZZKDGS-DAXSKMNVSA-N -1 1 327.271 3.660 20 5 EHBDMM O=[N+]([O-])c1ccc(-c2nc(CSc3ccc(Cl)cc3)no2)[n-]1 ZINC000355691280 1028939007 /nfs/dbraw/zinc/93/90/07/1028939007.db2.gz SSCUCFZWYFOOID-UHFFFAOYSA-N -1 1 336.760 3.919 20 5 EHBDMM CCc1nc(SCCCOc2ccc([N+](=O)[O-])cc2)[n-]c(=O)c1C ZINC000594905006 1033537444 /nfs/dbraw/zinc/53/74/44/1033537444.db2.gz MLMSSLYIRVFXLV-UHFFFAOYSA-N -1 1 349.412 3.522 20 5 EHBDMM CCc1cccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000180159920 1035925804 /nfs/dbraw/zinc/92/58/04/1035925804.db2.gz RRYOSYGHUODAHH-UHFFFAOYSA-N -1 1 334.397 3.575 20 5 EHBDMM Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000414366981 1037023086 /nfs/dbraw/zinc/02/30/86/1037023086.db2.gz CZMAFLMUOCPGMP-UHFFFAOYSA-N -1 1 334.397 3.629 20 5 EHBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc(F)c(Cl)nc1Cl ZINC000057778217 1037143523 /nfs/dbraw/zinc/14/35/23/1037143523.db2.gz BMETVWKCNZGFCI-UHFFFAOYSA-N -1 1 348.092 3.827 20 5 EHBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(C)noc2C(C)C)c1 ZINC000906275071 1039430924 /nfs/dbraw/zinc/43/09/24/1039430924.db2.gz KHZTWFLNKSBGLQ-UHFFFAOYSA-N -1 1 335.385 3.989 20 5 EHBDMM CC(C)(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000512768117 1040854127 /nfs/dbraw/zinc/85/41/27/1040854127.db2.gz ZVFXAVZODPHMGQ-QWRGUYRKSA-N -1 1 346.474 3.540 20 5 EHBDMM CCCCc1nnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000344117630 1043282361 /nfs/dbraw/zinc/28/23/61/1043282361.db2.gz ILUMJDCLCYXIRZ-UHFFFAOYSA-N -1 1 346.368 3.787 20 5 EHBDMM CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC001648799768 1120040581 /nfs/dbraw/zinc/04/05/81/1120040581.db2.gz UFRMCESXOAWBON-ZDUSSCGKSA-N -1 1 327.384 3.788 20 5 EHBDMM CC(C)(NC(=O)c1c([O-])cccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000817038511 1136773142 /nfs/dbraw/zinc/77/31/42/1136773142.db2.gz QUAKKAFYJBHDID-UHFFFAOYSA-N -1 1 334.759 3.619 20 5 EHBDMM CC(C)c1ncc(Cl)c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)n1 ZINC000120653867 1137299877 /nfs/dbraw/zinc/29/98/77/1137299877.db2.gz NYDHKQCPBHHREC-UHFFFAOYSA-N -1 1 338.726 3.553 20 5 EHBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000824657624 607447935 /nfs/dbraw/zinc/44/79/35/607447935.db2.gz RUJZHFVFYYNHAY-VIFPVBQESA-N -1 1 344.762 3.601 20 5 EHBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000824657624 607447937 /nfs/dbraw/zinc/44/79/37/607447937.db2.gz RUJZHFVFYYNHAY-VIFPVBQESA-N -1 1 344.762 3.601 20 5 EHBDMM CC[C@](NCc1cc(Cl)ccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000828989327 601114749 /nfs/dbraw/zinc/11/47/49/601114749.db2.gz XJKLSKGPISQIQD-QGZVFWFLSA-N -1 1 348.786 3.728 20 5 EHBDMM Cc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccccc2F)cc1[N+](=O)[O-] ZINC000832920883 601370475 /nfs/dbraw/zinc/37/04/75/601370475.db2.gz JEXIUEMATMEXDE-ZBEGNZNMSA-N -1 1 332.331 3.519 20 5 EHBDMM CC(C)c1[nH]c(CN[C@@H](C)c2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001591917797 976378228 /nfs/dbraw/zinc/37/82/28/976378228.db2.gz CRMPIHAHCBFXRS-NSHDSACASA-N -1 1 331.372 3.595 20 5 EHBDMM O=[N+]([O-])c1cc(F)ccc1[N-]c1nc(Cl)cnc1Br ZINC001210949059 1019109931 /nfs/dbraw/zinc/10/99/31/1019109931.db2.gz GAQHKDKKXVDWHK-UHFFFAOYSA-N -1 1 347.531 3.683 20 5 EHBDMM CC(C)(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064245434 1021921212 /nfs/dbraw/zinc/92/12/12/1021921212.db2.gz ZVFXAVZODPHMGQ-GHMZBOCLSA-N -1 1 346.474 3.540 20 5 EHBDMM CCc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000091054410 1023415568 /nfs/dbraw/zinc/41/55/68/1023415568.db2.gz IYXVBFOMZYHBBV-UHFFFAOYSA-N -1 1 334.397 3.575 20 5 EHBDMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1ccccc1[N+](=O)[O-] ZINC000514635141 1024623889 /nfs/dbraw/zinc/62/38/89/1024623889.db2.gz QHJLPKUBTUJHCH-ZETCQYMHSA-N -1 1 327.312 3.881 20 5 EHBDMM Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)sc2C)s1 ZINC000505389993 1029506227 /nfs/dbraw/zinc/50/62/27/1029506227.db2.gz SQMOBXUIBJTMQW-UHFFFAOYSA-N -1 1 348.409 3.977 20 5 EHBDMM O=C(Nc1ccc(F)cc1[O-])c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000446223710 1029508855 /nfs/dbraw/zinc/50/88/55/1029508855.db2.gz ARXCIZIJJVTLMF-UHFFFAOYSA-N -1 1 348.333 3.778 20 5 EHBDMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000007053248 1031215927 /nfs/dbraw/zinc/21/59/27/1031215927.db2.gz YDULEYHXXCTUGG-GFCCVEGCSA-N -1 1 334.397 3.909 20 5 EHBDMM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1csc([N+](=O)[O-])c1 ZINC000179586664 1034507441 /nfs/dbraw/zinc/50/74/41/1034507441.db2.gz HIXNEJCYAJRYQR-ONEGZZNKSA-N -1 1 348.365 3.524 20 5 EHBDMM O=C(c1ccc([O-])cc1)C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000588005165 1035669244 /nfs/dbraw/zinc/66/92/44/1035669244.db2.gz ZXPAVLKIWQBWFN-UHFFFAOYSA-N -1 1 344.342 3.539 20 5 EHBDMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000541800051 1036666356 /nfs/dbraw/zinc/66/63/56/1036666356.db2.gz RKXMWTACZDLZMP-UHFFFAOYSA-N -1 1 334.397 3.629 20 5 EHBDMM O=C(Nc1cccc(C2SCCS2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000917936144 1122713158 /nfs/dbraw/zinc/71/31/58/1122713158.db2.gz SPGRKGUQKZNVGB-UHFFFAOYSA-N -1 1 335.410 3.654 20 5 EHBDMM O=c1cc(C2CC2)nc(SCc2cc(Cl)ccc2[N+](=O)[O-])[n-]1 ZINC000767088798 1132947004 /nfs/dbraw/zinc/94/70/04/1132947004.db2.gz RBTRUUNGBBOYDG-UHFFFAOYSA-N -1 1 337.788 3.914 20 5 EHBDMM O=C(Nc1cc2cccnc2c2ncccc12)c1ccc([O-])cc1F ZINC001186329750 1134202895 /nfs/dbraw/zinc/20/28/95/1134202895.db2.gz VCEYUGFSCUBJML-UHFFFAOYSA-N -1 1 333.322 3.880 20 5 EHBDMM CC(C)Cc1nsc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000855705682 1136720062 /nfs/dbraw/zinc/72/00/62/1136720062.db2.gz MNPCKANENLTOMR-UHFFFAOYSA-N -1 1 340.792 3.551 20 5 EHBDMM O=[N+]([O-])c1c(Cl)ncnc1[N-][C@@H](c1ccccc1)C(F)(F)F ZINC001170882690 1136845374 /nfs/dbraw/zinc/84/53/74/1136845374.db2.gz JOQCTSOAELRFCX-VIFPVBQESA-N -1 1 332.669 3.754 20 5 EHBDMM CN(C)c1cccc([C@@H]2CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000339006044 1136897738 /nfs/dbraw/zinc/89/77/38/1136897738.db2.gz PHISNRCTYBFKFR-SFHVURJKSA-N -1 1 341.411 3.704 20 5 EHBDMM CC(C)(C)c1nnc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])s1 ZINC000267336107 1140780219 /nfs/dbraw/zinc/78/02/19/1140780219.db2.gz ISQUDLXJSDLQAD-UHFFFAOYSA-N -1 1 340.792 3.650 20 5 EHBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000824656245 607838683 /nfs/dbraw/zinc/83/86/83/607838683.db2.gz JNTVBRSYKALHKZ-VIFPVBQESA-N -1 1 344.762 3.601 20 5 EHBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000824656245 607838684 /nfs/dbraw/zinc/83/86/84/607838684.db2.gz JNTVBRSYKALHKZ-VIFPVBQESA-N -1 1 344.762 3.601 20 5 EHBDMM Cc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccccc2F)cc1[N+](=O)[O-] ZINC000832920879 601370376 /nfs/dbraw/zinc/37/03/76/601370376.db2.gz JEXIUEMATMEXDE-BZNIZROVSA-N -1 1 332.331 3.519 20 5 EHBDMM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414677413 973948863 /nfs/dbraw/zinc/94/88/63/973948863.db2.gz ILSGZEAHGYCBIU-LBPRGKRZSA-N -1 1 332.356 3.540 20 5 EHBDMM CC(C)c1[nH]c(CN[C@H](C)c2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001591917796 976378479 /nfs/dbraw/zinc/37/84/79/976378479.db2.gz CRMPIHAHCBFXRS-LLVKDONJSA-N -1 1 331.372 3.595 20 5 EHBDMM C[C@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC001599901097 984828368 /nfs/dbraw/zinc/82/83/68/984828368.db2.gz NQKMKRQIIOSQDA-ZUZCIYMTSA-N -1 1 334.759 3.725 20 5 EHBDMM C[C@@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001599841427 988842738 /nfs/dbraw/zinc/84/27/38/988842738.db2.gz HEMOKXYISKNCKM-SNVBAGLBSA-N -1 1 334.759 3.797 20 5 EHBDMM Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)nc(C)c1Br ZINC001210392286 1017946395 /nfs/dbraw/zinc/94/63/95/1017946395.db2.gz FIULCBHQMBIMGD-UHFFFAOYSA-N -1 1 338.161 3.818 20 5 EHBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc([O-])c1F ZINC000127293015 1021762431 /nfs/dbraw/zinc/76/24/31/1021762431.db2.gz UVDXHEPTVYZHEA-UHFFFAOYSA-N -1 1 336.344 3.804 20 5 EHBDMM O=c1cc(C(F)(F)F)nc(SCc2c(F)cccc2[N+](=O)[O-])[n-]1 ZINC000126980441 1024395428 /nfs/dbraw/zinc/39/54/28/1024395428.db2.gz GWMWVIWKPWIGMR-UHFFFAOYSA-N -1 1 349.265 3.541 20 5 EHBDMM Cc1c([N-]S(=O)(=O)c2cccc(C(C)C)c2)cccc1[N+](=O)[O-] ZINC000536457549 1024484324 /nfs/dbraw/zinc/48/43/24/1024484324.db2.gz AIPWFJWHZYDRJD-UHFFFAOYSA-N -1 1 334.397 3.827 20 5 EHBDMM O=C(Nc1ccc(-n2ncc3ccccc32)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343051742 1028815965 /nfs/dbraw/zinc/81/59/65/1028815965.db2.gz RYXSOGNRFPOMQR-UHFFFAOYSA-N -1 1 347.334 3.514 20 5 EHBDMM O=[N+]([O-])c1ccc(SCc2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445478784 1028838128 /nfs/dbraw/zinc/83/81/28/1028838128.db2.gz IAWCRESOJPJIFW-UHFFFAOYSA-N -1 1 347.327 3.782 20 5 EHBDMM C[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1C(=O)[O-] ZINC000424411738 1029056288 /nfs/dbraw/zinc/05/62/88/1029056288.db2.gz BNTJTABGJNQXHW-SJCJKPOMSA-N -1 1 344.367 3.540 20 5 EHBDMM O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343173739 1029616498 /nfs/dbraw/zinc/61/64/98/1029616498.db2.gz QIRNMULQFXQQLH-UHFFFAOYSA-N -1 1 342.286 3.502 20 5 EHBDMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c1C ZINC000007053277 1031215004 /nfs/dbraw/zinc/21/50/04/1031215004.db2.gz KIEVIOYOZOAPLX-UHFFFAOYSA-N -1 1 348.424 3.938 20 5 EHBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000152650110 1031408122 /nfs/dbraw/zinc/40/81/22/1031408122.db2.gz KAKORAGZLAFYDA-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM CC(C)(C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000485652285 1039355129 /nfs/dbraw/zinc/35/51/29/1039355129.db2.gz ANWUBOSKAQXYTK-UHFFFAOYSA-N -1 1 334.759 3.870 20 5 EHBDMM O=[N+]([O-])c1ccc([N-]c2cnn(-c3ccccc3F)c2)c([N+](=O)[O-])c1 ZINC000301602200 1128517132 /nfs/dbraw/zinc/51/71/32/1128517132.db2.gz JVPWXFIGVMNALO-UHFFFAOYSA-N -1 1 343.274 3.571 20 5 EHBDMM Cc1cc(NC(=O)c2ccc3ccc(O)cc3c2[O-])cc([N+](=O)[O-])c1 ZINC001648797936 1120039654 /nfs/dbraw/zinc/03/96/54/1120039654.db2.gz LCRXBDHMMOBARD-UHFFFAOYSA-N -1 1 338.319 3.720 20 5 EHBDMM O=C(Nc1cc2cccnc2c2ncccc12)c1ccc([O-])c(F)c1 ZINC001186226030 1134183367 /nfs/dbraw/zinc/18/33/67/1134183367.db2.gz KIDVATFAPKBWHB-UHFFFAOYSA-N -1 1 333.322 3.880 20 5 EHBDMM O=C(c1ccncc1)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201223978 1136000405 /nfs/dbraw/zinc/00/04/05/1136000405.db2.gz GMGVTAJMHBYIOB-UHFFFAOYSA-N -1 1 335.319 3.670 20 5 EHBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000339125830 1141504009 /nfs/dbraw/zinc/50/40/09/1141504009.db2.gz YEZBELUWKXEAKN-WBVHZDCISA-N -1 1 348.786 3.574 20 5 EHBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000339125828 1141504178 /nfs/dbraw/zinc/50/41/78/1141504178.db2.gz YEZBELUWKXEAKN-NVXWUHKLSA-N -1 1 348.786 3.574 20 5 EHBDMM COCCCC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000339140639 1141507597 /nfs/dbraw/zinc/50/75/97/1141507597.db2.gz NNJUXBZHRDDIAV-GOSISDBHSA-N -1 1 344.411 3.948 20 5 EHBDMM COCCCC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000339140643 1141508155 /nfs/dbraw/zinc/50/81/55/1141508155.db2.gz NNJUXBZHRDDIAV-SFHVURJKSA-N -1 1 344.411 3.948 20 5 EHBDMM CCc1oc(C(=O)[O-])cc1CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000833681038 605174306 /nfs/dbraw/zinc/17/43/06/605174306.db2.gz RXZPERAWJMHBMP-AWEZNQCLSA-N -1 1 332.356 3.689 20 5 EHBDMM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC001598506931 992516686 /nfs/dbraw/zinc/51/66/86/992516686.db2.gz HXSVYXSVRNPEDK-SFHVURJKSA-N -1 1 340.379 3.802 20 5 EHBDMM COc1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)ccc1[N+](=O)[O-] ZINC000445447183 1028779572 /nfs/dbraw/zinc/77/95/72/1028779572.db2.gz NWJRSMAFGCNMGH-UHFFFAOYSA-N -1 1 347.714 3.679 20 5 EHBDMM CC(C)(c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1ccccc1Cl ZINC000445680679 1029037861 /nfs/dbraw/zinc/03/78/61/1029037861.db2.gz AJAPQGYANDGAMU-UHFFFAOYSA-N -1 1 332.747 3.952 20 5 EHBDMM O=C(Nc1ccccc1SCC(F)(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000604077351 1034184363 /nfs/dbraw/zinc/18/43/63/1034184363.db2.gz LWQJJZOMEFGLHG-UHFFFAOYSA-N -1 1 345.302 3.830 20 5 EHBDMM O=C([N-]c1cnoc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000604542486 1034416994 /nfs/dbraw/zinc/41/69/94/1034416994.db2.gz DGHGIKFSBBMBEB-UHFFFAOYSA-N -1 1 325.280 3.627 20 5 EHBDMM O=C(Nc1ccc(OC2CCCC2)c(F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000461365320 1038365782 /nfs/dbraw/zinc/36/57/82/1038365782.db2.gz YFYXFFKLDFURLX-UHFFFAOYSA-N -1 1 333.319 3.636 20 5 EHBDMM Cc1coc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc12 ZINC000479536591 1040346451 /nfs/dbraw/zinc/34/64/51/1040346451.db2.gz FLBKFCBQRNGMHK-UHFFFAOYSA-N -1 1 346.364 3.759 20 5 EHBDMM Cc1ccccc1-c1csc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000342929504 1040528541 /nfs/dbraw/zinc/52/85/41/1040528541.db2.gz FQMJIXFXLTVSSY-UHFFFAOYSA-N -1 1 328.353 3.607 20 5 EHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1C ZINC000006328246 1043182392 /nfs/dbraw/zinc/18/23/92/1043182392.db2.gz CJVIVNULRXYSKD-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM C[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183416759 1125556075 /nfs/dbraw/zinc/55/60/75/1125556075.db2.gz QYIFEORBCGESQP-QMMMGPOBSA-N -1 1 338.722 3.835 20 5 EHBDMM CCCc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000032098448 1120904956 /nfs/dbraw/zinc/90/49/56/1120904956.db2.gz MGRKTXFYFZNOTQ-UHFFFAOYSA-N -1 1 348.424 3.965 20 5 EHBDMM [O-]c1cccnc1-c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001212482950 1129089967 /nfs/dbraw/zinc/08/99/67/1129089967.db2.gz XNSGWHUKWJPRNT-UHFFFAOYSA-N -1 1 341.330 3.601 20 5 EHBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000180331920 1123987312 /nfs/dbraw/zinc/98/73/12/1123987312.db2.gz WVHLECJRIXQEKK-UHFFFAOYSA-N -1 1 342.685 3.787 20 5 EHBDMM CC(C)(CCc1noc(-c2ccc3ccccc3c2[O-])n1)[N+](=O)[O-] ZINC000812815398 1136249337 /nfs/dbraw/zinc/24/93/37/1136249337.db2.gz LDTRLWODUOWDAY-UHFFFAOYSA-N -1 1 327.340 3.583 20 5 EHBDMM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000339076709 1137383436 /nfs/dbraw/zinc/38/34/36/1137383436.db2.gz BDKCMUKXBCRSGC-CQSZACIVSA-N -1 1 341.411 3.751 20 5 EHBDMM Cc1c([N-]C(=O)c2cc(F)c(F)c(F)c2F)c(F)ccc1[N+](=O)[O-] ZINC000800152235 1137899890 /nfs/dbraw/zinc/89/98/90/1137899890.db2.gz XPDBXVLPCIYIEX-UHFFFAOYSA-N -1 1 346.211 3.851 20 5 EHBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000338196231 1138783444 /nfs/dbraw/zinc/78/34/44/1138783444.db2.gz NOKBSUOHIPIUID-KDOFPFPSSA-N -1 1 342.395 3.558 20 5 EHBDMM CC(C)c1nnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000338282752 1138816163 /nfs/dbraw/zinc/81/61/63/1138816163.db2.gz JSEXDCOZZIPEEK-UHFFFAOYSA-N -1 1 332.341 3.568 20 5 EHBDMM CCc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1 ZINC000825704932 607448501 /nfs/dbraw/zinc/44/85/01/607448501.db2.gz QUKRIHSSXLMVAU-NSHDSACASA-N -1 1 338.371 3.510 20 5 EHBDMM CCc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1 ZINC000825704932 607448502 /nfs/dbraw/zinc/44/85/02/607448502.db2.gz QUKRIHSSXLMVAU-NSHDSACASA-N -1 1 338.371 3.510 20 5 EHBDMM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000825639572 604232311 /nfs/dbraw/zinc/23/23/11/604232311.db2.gz UFNRYPFETSOPGM-CYBMUJFWSA-N -1 1 347.415 3.510 20 5 EHBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000593744129 953755555 /nfs/dbraw/zinc/75/55/55/953755555.db2.gz NFAQAURRSNAIFH-FZKQIMNGSA-N -1 1 340.379 3.648 20 5 EHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)ccc1[N+](=O)[O-] ZINC000523730519 1028575116 /nfs/dbraw/zinc/57/51/16/1028575116.db2.gz ZPQGIBJTJHGBNB-UHFFFAOYSA-N -1 1 334.397 3.827 20 5 EHBDMM C[C@H](c1nc(-c2ccc([O-])cc2F)no1)c1ccc([N+](=O)[O-])cc1F ZINC000445464909 1028809093 /nfs/dbraw/zinc/80/90/93/1028809093.db2.gz WSEZDVFELNJEET-QMMMGPOBSA-N -1 1 347.277 3.780 20 5 EHBDMM C[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000445480707 1028839721 /nfs/dbraw/zinc/83/97/21/1028839721.db2.gz MVBPUSSFGLQLAD-QMMMGPOBSA-N -1 1 347.277 3.780 20 5 EHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000192731290 1031461363 /nfs/dbraw/zinc/46/13/63/1031461363.db2.gz XUIYSKPXBZHOSE-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM COc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1[N+](=O)[O-] ZINC000472525697 1035463717 /nfs/dbraw/zinc/46/37/17/1035463717.db2.gz WPDYKNCGDBKKSH-UHFFFAOYSA-N -1 1 338.319 3.715 20 5 EHBDMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000491597448 1037577665 /nfs/dbraw/zinc/57/76/65/1037577665.db2.gz VLCOCYSPKHPXJL-UHFFFAOYSA-N -1 1 334.397 3.629 20 5 EHBDMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000261384325 1043420923 /nfs/dbraw/zinc/42/09/23/1043420923.db2.gz APNLPPJZIZSCQL-ZETCQYMHSA-N -1 1 345.302 3.963 20 5 EHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000032585935 1121618419 /nfs/dbraw/zinc/61/84/19/1121618419.db2.gz OEZXZJHDNWCPSD-UHFFFAOYSA-N -1 1 334.397 3.827 20 5 EHBDMM CCC(CC)(CC)SCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000762969936 1121623295 /nfs/dbraw/zinc/62/32/95/1121623295.db2.gz BGOUGSRNUSMZBY-UHFFFAOYSA-N -1 1 338.429 3.553 20 5 EHBDMM CC(C)Cc1nnc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000070725740 1125368316 /nfs/dbraw/zinc/36/83/16/1125368316.db2.gz OFBARIIQSDIOHC-UHFFFAOYSA-N -1 1 340.792 3.551 20 5 EHBDMM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000055547473 1129774117 /nfs/dbraw/zinc/77/41/17/1129774117.db2.gz TTZFVINOTLLLOY-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM Cc1c([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cnn1C1CCCC1 ZINC000302890778 1129797891 /nfs/dbraw/zinc/79/78/91/1129797891.db2.gz PMZRELMIHJWURM-UHFFFAOYSA-N -1 1 331.332 3.867 20 5 EHBDMM O=[N+]([O-])c1ccccc1[N-]c1nc(Cl)cnc1Br ZINC001206140149 1137496971 /nfs/dbraw/zinc/49/69/71/1137496971.db2.gz LROZYLAKQWDDHR-UHFFFAOYSA-N -1 1 329.541 3.544 20 5 EHBDMM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000268300961 1140916786 /nfs/dbraw/zinc/91/67/86/1140916786.db2.gz CLSVWHWFRMQJCB-CYBMUJFWSA-N -1 1 342.399 3.862 20 5 EHBDMM CC[C@H](NCc1cc(C(=O)[O-])ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000833643663 605844523 /nfs/dbraw/zinc/84/45/23/605844523.db2.gz DFAIXMHAQPZTDU-INIZCTEOSA-N -1 1 332.331 3.673 20 5 EHBDMM CC(C)c1[nH]c(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001591916971 976372279 /nfs/dbraw/zinc/37/22/79/976372279.db2.gz UPVRUWQDKUHNSF-NSHDSACASA-N -1 1 331.372 3.595 20 5 EHBDMM C[C@H](c1ccccc1)n1ccc([N-]c2ncc([N+](=O)[O-])cc2Cl)n1 ZINC000610735229 1021470286 /nfs/dbraw/zinc/47/02/86/1021470286.db2.gz LQNFXAWHDOEKHD-LLVKDONJSA-N -1 1 343.774 3.615 20 5 EHBDMM O=C(Nc1cccc([O-])c1F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000179151525 1033250183 /nfs/dbraw/zinc/25/01/83/1033250183.db2.gz UTFNQHOUPYVMKA-UHFFFAOYSA-N -1 1 332.312 3.907 20 5 EHBDMM O=[N+]([O-])c1ccc([O-])cc1CSc1nc(-c2ccccc2F)n[nH]1 ZINC000436475386 1025768995 /nfs/dbraw/zinc/76/89/95/1025768995.db2.gz UWQOAMXTVMCLMU-UHFFFAOYSA-N -1 1 346.343 3.517 20 5 EHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Cl)cc3Cl)no2)[n-]1 ZINC000445461477 1028832886 /nfs/dbraw/zinc/83/28/86/1028832886.db2.gz XDODXYHHJFPHEC-UHFFFAOYSA-N -1 1 325.111 3.947 20 5 EHBDMM O=C(Nc1ccc(NC2CCCCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604539511 1034415375 /nfs/dbraw/zinc/41/53/75/1034415375.db2.gz RXBWZVKMDXZZIE-UHFFFAOYSA-N -1 1 328.372 3.920 20 5 EHBDMM CCC[C@@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)sc2C1 ZINC000500754416 1039377861 /nfs/dbraw/zinc/37/78/61/1039377861.db2.gz KQAFKOQSSXYKPQ-SECBINFHSA-N -1 1 334.401 3.537 20 5 EHBDMM Cc1c([N-]S(=O)(=O)c2cccc(C(F)F)c2)cccc1[N+](=O)[O-] ZINC000780365533 1042730352 /nfs/dbraw/zinc/73/03/52/1042730352.db2.gz MNMYRPJXNFFXSC-UHFFFAOYSA-N -1 1 342.323 3.642 20 5 EHBDMM O=C([N-]c1cc(F)c(F)c(F)c1F)c1ccc([N+](=O)[O-])cc1F ZINC001649094552 1128221727 /nfs/dbraw/zinc/22/17/27/1128221727.db2.gz AKEBYCHWBMFVST-UHFFFAOYSA-N -1 1 332.184 3.543 20 5 EHBDMM CCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1Cl ZINC000556332086 1122932215 /nfs/dbraw/zinc/93/22/15/1122932215.db2.gz NUWBWKVCMPMQFD-UHFFFAOYSA-N -1 1 334.719 3.692 20 5 EHBDMM Nc1ccc2n(-c3c(F)ccc([O-])c3F)c3ccccc3cc-2c1=O ZINC001175269846 1132623667 /nfs/dbraw/zinc/62/36/67/1132623667.db2.gz NYOZZZSJPYCECE-UHFFFAOYSA-N -1 1 338.313 3.662 20 5 EHBDMM CCOC(=O)c1nc(C2CC2)oc1[N-]c1cc([N+](=O)[O-])ccc1F ZINC001175734912 1132748631 /nfs/dbraw/zinc/74/86/31/1132748631.db2.gz WVCSQGHOECIQSZ-UHFFFAOYSA-N -1 1 335.291 3.520 20 5 EHBDMM CC[C@](NCc1cc([N+](=O)[O-])ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000736916438 600408126 /nfs/dbraw/zinc/40/81/26/600408126.db2.gz IPYLGIRBVKROHZ-QGZVFWFLSA-N -1 1 348.786 3.728 20 5 EHBDMM CC(C)[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000820027859 606644506 /nfs/dbraw/zinc/64/45/06/606644506.db2.gz USBUMDKYGSCCDX-MRXNPFEDSA-N -1 1 338.371 3.584 20 5 EHBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000820455130 606644637 /nfs/dbraw/zinc/64/46/37/606644637.db2.gz DWTJICNBHRAGNW-VIFPVBQESA-N -1 1 344.762 3.601 20 5 EHBDMM O=C([O-])[C@@H]1C[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC001605983374 973021463 /nfs/dbraw/zinc/02/14/63/973021463.db2.gz JISOCXUQUAKCRZ-CABCVRRESA-N -1 1 346.770 3.651 20 5 EHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000519202614 1021930455 /nfs/dbraw/zinc/93/04/55/1021930455.db2.gz CWFNFXCVQKPEEN-UHFFFAOYSA-N -1 1 334.397 3.575 20 5 EHBDMM C[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)c1cccc([N+](=O)[O-])c1 ZINC000521112429 1025218389 /nfs/dbraw/zinc/21/83/89/1025218389.db2.gz NBBFIDPMRVRKSM-SECBINFHSA-N -1 1 329.287 3.641 20 5 EHBDMM O=C([N-]c1nnc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1F ZINC000077441829 1027442388 /nfs/dbraw/zinc/44/23/88/1027442388.db2.gz IWDHNMQYMYQEIV-UHFFFAOYSA-N -1 1 344.327 3.505 20 5 EHBDMM O=[N+]([O-])c1ccc2[nH]cc(-c3nc(-c4ccc([O-])cc4F)no3)c2c1 ZINC000445457474 1028827473 /nfs/dbraw/zinc/82/74/73/1028827473.db2.gz SRHKCKQMPHOIAK-UHFFFAOYSA-N -1 1 340.270 3.638 20 5 EHBDMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000007053246 1031214146 /nfs/dbraw/zinc/21/41/46/1031214146.db2.gz VRMHIUNIHRCRSA-UHFFFAOYSA-N -1 1 334.397 3.693 20 5 EHBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2c2cccs2)c1 ZINC000593733326 1033878033 /nfs/dbraw/zinc/87/80/33/1033878033.db2.gz FLUGDTRKBAIFQN-AWEZNQCLSA-N -1 1 332.381 3.692 20 5 EHBDMM CCc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000463443508 1035511066 /nfs/dbraw/zinc/51/10/66/1035511066.db2.gz OLQGRPOSQFNORZ-UHFFFAOYSA-N -1 1 334.397 3.575 20 5 EHBDMM CSc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1[N+](=O)[O-] ZINC000188078884 1038054757 /nfs/dbraw/zinc/05/47/57/1038054757.db2.gz BXLTWEJXKWZCIX-UHFFFAOYSA-N -1 1 338.772 3.928 20 5 EHBDMM CCCCCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000054572360 1121352107 /nfs/dbraw/zinc/35/21/07/1121352107.db2.gz GQGGAFAHMQHIHL-UHFFFAOYSA-N -1 1 338.364 3.570 20 5 EHBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000917612214 1122653398 /nfs/dbraw/zinc/65/33/98/1122653398.db2.gz XFEBDNVLCYJIBA-UHFFFAOYSA-N -1 1 345.242 3.641 20 5 EHBDMM CCCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(C)o1 ZINC000618368894 1125062915 /nfs/dbraw/zinc/06/29/15/1125062915.db2.gz SJMHQUOHZYSSAQ-LBPRGKRZSA-N -1 1 347.371 3.600 20 5 EHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000055547453 1129773955 /nfs/dbraw/zinc/77/39/55/1129773955.db2.gz YOCJMYDTDQMNTQ-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(C(C)C)cc1[O-])CC2 ZINC000773994213 1133586987 /nfs/dbraw/zinc/58/69/87/1133586987.db2.gz NVRJXNPZYBSLHB-UHFFFAOYSA-N -1 1 340.379 3.935 20 5 EHBDMM Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1[N+](=O)[O-] ZINC001135880984 1136797136 /nfs/dbraw/zinc/79/71/36/1136797136.db2.gz QYRKDJGIVOMFGZ-UHFFFAOYSA-N -1 1 340.257 3.880 20 5 EHBDMM COc1ccc([N+](=O)[O-])c(Cc2nc(=O)c3c(C)sc(C)c3[n-]2)c1 ZINC000864356684 1137223372 /nfs/dbraw/zinc/22/33/72/1137223372.db2.gz XMLOVFCMXSFFKP-UHFFFAOYSA-N -1 1 345.380 3.521 20 5 EHBDMM O=C([O-])c1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1F ZINC000569622024 604784927 /nfs/dbraw/zinc/78/49/27/604784927.db2.gz DOXGKTKOWYUSNV-UHFFFAOYSA-N -1 1 344.342 3.597 20 5 EHBDMM O=C([O-])c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1F ZINC000516315669 1021293534 /nfs/dbraw/zinc/29/35/34/1021293534.db2.gz PLQORHBXJYGUAV-UHFFFAOYSA-N -1 1 344.342 3.597 20 5 EHBDMM CSc1cccc(-c2nc(-c3ccc([O-])cc3F)no2)c1[N+](=O)[O-] ZINC000436880822 1021331602 /nfs/dbraw/zinc/33/16/02/1021331602.db2.gz SQQQAYJSSCYFTI-UHFFFAOYSA-N -1 1 347.327 3.878 20 5 EHBDMM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1 ZINC000018707137 1021903517 /nfs/dbraw/zinc/90/35/17/1021903517.db2.gz MSHIMTKVGZYRGJ-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM COc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C2CC2)cc1Cl ZINC000594416024 1033383745 /nfs/dbraw/zinc/38/37/45/1033383745.db2.gz RUZOAWGYHAJSMU-UHFFFAOYSA-N -1 1 335.747 3.715 20 5 EHBDMM CCn1c(C2CCN(c3cc(C)ccc3[N+](=O)[O-])CC2)n[n-]c1=S ZINC000088721860 1035719898 /nfs/dbraw/zinc/71/98/98/1035719898.db2.gz WIKVOCGSNFMKOL-UHFFFAOYSA-N -1 1 347.444 3.561 20 5 EHBDMM CSc1cccc(C(=O)[N-]c2c(C)noc2C(C)C)c1[N+](=O)[O-] ZINC000906275374 1039429528 /nfs/dbraw/zinc/42/95/28/1039429528.db2.gz YDYVNGNZBYFINN-UHFFFAOYSA-N -1 1 335.385 3.989 20 5 EHBDMM CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1[O-] ZINC000193054957 1120875089 /nfs/dbraw/zinc/87/50/89/1120875089.db2.gz XQSBXEFLGQUUKI-UHFFFAOYSA-N -1 1 336.731 3.605 20 5 EHBDMM Cc1[nH]nc(C(=O)[N-]c2ccccc2SC2CCCC2)c1[N+](=O)[O-] ZINC000064336611 1123573024 /nfs/dbraw/zinc/57/30/24/1123573024.db2.gz TWWHKRXXTYJRFY-UHFFFAOYSA-N -1 1 346.412 3.913 20 5 EHBDMM CC(C)(C)c1nsc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000068074050 1123823315 /nfs/dbraw/zinc/82/33/15/1123823315.db2.gz WOCLTKFZKFXZIQ-UHFFFAOYSA-N -1 1 340.792 3.650 20 5 EHBDMM O=C(c1cc2ccccc2cc1[O-])N1CCc2c1cccc2[N+](=O)[O-] ZINC000172423097 1130133041 /nfs/dbraw/zinc/13/30/41/1130133041.db2.gz CROGIMAXYIAECW-UHFFFAOYSA-N -1 1 334.331 3.657 20 5 EHBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)cc1 ZINC000770517981 1133437346 /nfs/dbraw/zinc/43/73/46/1133437346.db2.gz BVURJQVZIMGNIY-MDZDMXLPSA-N -1 1 338.772 3.661 20 5 EHBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1csc(C(F)(F)F)n1 ZINC000791064486 1134504530 /nfs/dbraw/zinc/50/45/30/1134504530.db2.gz VDJBORWBSHYNDL-UHFFFAOYSA-N -1 1 349.265 3.770 20 5 EHBDMM O=C1[N-]C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)s2)S1 ZINC000874927523 1137626424 /nfs/dbraw/zinc/62/64/24/1137626424.db2.gz JCGWNBCLPGPNSY-GHXNOFRVSA-N -1 1 332.362 3.647 20 5 EHBDMM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cc(-c2ccccc2)no1 ZINC000339184906 1141521581 /nfs/dbraw/zinc/52/15/81/1141521581.db2.gz IAMSEJMCIPCILY-UHFFFAOYSA-N -1 1 327.271 3.641 20 5 EHBDMM CC(C)(C(=O)[O-])[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000833413455 605183098 /nfs/dbraw/zinc/18/30/98/605183098.db2.gz GJQMTKZDTHFSFD-MRXNPFEDSA-N -1 1 346.358 3.676 20 5 EHBDMM CC(C)[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccccc1 ZINC001574079948 948778901 /nfs/dbraw/zinc/77/89/01/948778901.db2.gz LWTZANWHWBVFJB-CYBMUJFWSA-N -1 1 344.400 3.646 20 5 EHBDMM CC(C)[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccccc1 ZINC001574079948 948778912 /nfs/dbraw/zinc/77/89/12/948778912.db2.gz LWTZANWHWBVFJB-CYBMUJFWSA-N -1 1 344.400 3.646 20 5 EHBDMM CC1(C)CC(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC(C)(C)C1 ZINC001575640568 950897619 /nfs/dbraw/zinc/89/76/19/950897619.db2.gz ISPAYHUJWQQJEL-UHFFFAOYSA-N -1 1 344.419 3.792 20 5 EHBDMM CC1(C)CC(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC(C)(C)C1 ZINC001575640568 950897634 /nfs/dbraw/zinc/89/76/34/950897634.db2.gz ISPAYHUJWQQJEL-UHFFFAOYSA-N -1 1 344.419 3.792 20 5 EHBDMM CCc1oc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1C(=O)[O-] ZINC000902515528 980916719 /nfs/dbraw/zinc/91/67/19/980916719.db2.gz WGGJOROJWVBUCS-UHFFFAOYSA-N -1 1 346.383 3.859 20 5 EHBDMM Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)cs1 ZINC000340463582 1017932356 /nfs/dbraw/zinc/93/23/56/1017932356.db2.gz GELVLGOQNZRGTE-UHFFFAOYSA-N -1 1 328.353 3.607 20 5 EHBDMM CCc1onc(C)c1[N-]C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000089396474 1022927354 /nfs/dbraw/zinc/92/73/54/1022927354.db2.gz JRIQDILTZXBJGV-UHFFFAOYSA-N -1 1 343.261 3.725 20 5 EHBDMM CC(C)(C)C[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000426829964 1023060079 /nfs/dbraw/zinc/06/00/79/1023060079.db2.gz UBWJSTSOABURLO-HNNXBMFYSA-N -1 1 346.383 3.834 20 5 EHBDMM CCc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1CC ZINC000442228890 1025212731 /nfs/dbraw/zinc/21/27/31/1025212731.db2.gz LCIQHZONZOLDDN-UHFFFAOYSA-N -1 1 334.397 3.520 20 5 EHBDMM CCc1ccc(CC)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000442329843 1025265632 /nfs/dbraw/zinc/26/56/32/1025265632.db2.gz FGYUYKJSWDQODC-UHFFFAOYSA-N -1 1 334.397 3.520 20 5 EHBDMM O=C(Nc1cccc([O-])c1F)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000129775735 1027964002 /nfs/dbraw/zinc/96/40/02/1027964002.db2.gz JOKZKJFIIFEJTB-UHFFFAOYSA-N -1 1 344.220 3.711 20 5 EHBDMM O=[N+]([O-])c1ccc2oc(-c3nc(-c4ccc([O-])cc4F)no3)cc2c1 ZINC000445461132 1028832043 /nfs/dbraw/zinc/83/20/43/1028832043.db2.gz VNWVOKBCCXWEIC-UHFFFAOYSA-N -1 1 341.254 3.903 20 5 EHBDMM O=[N+]([O-])c1ccccc1/C=C/c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445483864 1028844770 /nfs/dbraw/zinc/84/47/70/1028844770.db2.gz XCWIFBNZKDIXJM-SOFGYWHQSA-N -1 1 327.271 3.660 20 5 EHBDMM Cc1ccccc1[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)(C)C ZINC000484203193 1031496324 /nfs/dbraw/zinc/49/63/24/1031496324.db2.gz RKQYAMDXNJWTBZ-HNNXBMFYSA-N -1 1 343.383 3.521 20 5 EHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000460414169 1036182621 /nfs/dbraw/zinc/18/26/21/1036182621.db2.gz ABLAZWYSMVCZQI-UHFFFAOYSA-N -1 1 334.397 3.827 20 5 EHBDMM O=C(Nc1ccccc1CCC(F)(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000465115391 1037149914 /nfs/dbraw/zinc/14/99/14/1037149914.db2.gz AZAMLEDCBKRORR-UHFFFAOYSA-N -1 1 327.262 3.670 20 5 EHBDMM CCc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000609414255 1123570845 /nfs/dbraw/zinc/57/08/45/1123570845.db2.gz LDOGVRSDRFGZQI-UHFFFAOYSA-N -1 1 342.380 3.861 20 5 EHBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1OCCC(C)C ZINC000610070451 1123726257 /nfs/dbraw/zinc/72/62/57/1123726257.db2.gz ZYWRBJATEHOVSM-UHFFFAOYSA-N -1 1 331.372 3.909 20 5 EHBDMM O=C([N-]c1ncn(C2CCCCC2)n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000184893507 1140124748 /nfs/dbraw/zinc/12/47/48/1140124748.db2.gz DXPOLTNORMMKSX-UHFFFAOYSA-N -1 1 349.778 3.597 20 5 EHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000007428290 210800240 /nfs/dbraw/zinc/80/02/40/210800240.db2.gz SQDNWVGQZUHLTP-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM CC(C)[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824199063 607449383 /nfs/dbraw/zinc/44/93/83/607449383.db2.gz GRRSIQHJJDZGTD-INIZCTEOSA-N -1 1 338.371 3.584 20 5 EHBDMM CC(C)[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824199063 607449385 /nfs/dbraw/zinc/44/93/85/607449385.db2.gz GRRSIQHJJDZGTD-INIZCTEOSA-N -1 1 338.371 3.584 20 5 EHBDMM CCc1oc(C(=O)[O-])cc1CN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000833681039 605174351 /nfs/dbraw/zinc/17/43/51/605174351.db2.gz RXZPERAWJMHBMP-CQSZACIVSA-N -1 1 332.356 3.689 20 5 EHBDMM CC(C)(C(=O)[O-])[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000833412956 605177644 /nfs/dbraw/zinc/17/76/44/605177644.db2.gz FKNOFHAAUNWNGS-INIZCTEOSA-N -1 1 346.358 3.676 20 5 EHBDMM CC(C)(C(=O)[O-])[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000833413453 605183030 /nfs/dbraw/zinc/18/30/30/605183030.db2.gz GJQMTKZDTHFSFD-INIZCTEOSA-N -1 1 346.358 3.676 20 5 EHBDMM Nc1ccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)cc1[N+](=O)[O-] ZINC000436996749 1021453094 /nfs/dbraw/zinc/45/30/94/1021453094.db2.gz GWKCBTJWDHKVST-UHFFFAOYSA-N -1 1 348.318 3.753 20 5 EHBDMM CC(C)c1ccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000426825626 1023070940 /nfs/dbraw/zinc/07/09/40/1023070940.db2.gz BPPNFPOUPFXDJL-KRWDZBQOSA-N -1 1 346.358 3.773 20 5 EHBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000439118123 1025759053 /nfs/dbraw/zinc/75/90/53/1025759053.db2.gz UZVVHTHVYKWGFM-UHFFFAOYSA-N -1 1 348.718 3.598 20 5 EHBDMM CCC(CC)c1nnc([N-]C(=O)c2ccc(F)cc2[N+](=O)[O-])s1 ZINC000159319386 1026602146 /nfs/dbraw/zinc/60/21/46/1026602146.db2.gz GAFUYEZYBXKCMC-UHFFFAOYSA-N -1 1 338.364 3.741 20 5 EHBDMM O=[N+]([O-])c1ccccc1OCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445446984 1028779910 /nfs/dbraw/zinc/77/99/10/1028779910.db2.gz GLLXSJPEJGNXOQ-UHFFFAOYSA-N -1 1 347.714 3.583 20 5 EHBDMM C[C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1C(=O)[O-] ZINC000424424153 1029047051 /nfs/dbraw/zinc/04/70/51/1029047051.db2.gz WCHALSZLRZMAKL-SJCJKPOMSA-N -1 1 344.367 3.540 20 5 EHBDMM C[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C(=O)[O-] ZINC000424424816 1029048256 /nfs/dbraw/zinc/04/82/56/1029048256.db2.gz XKNNJLSUWLGLSW-SJKOYZFVSA-N -1 1 344.367 3.540 20 5 EHBDMM CC(C)(c1nc(-c2ccc([O-])cc2F)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445463847 1128655131 /nfs/dbraw/zinc/65/51/31/1128655131.db2.gz RIOUKTVSOJCTPN-UHFFFAOYSA-N -1 1 343.314 3.815 20 5 EHBDMM CC(C)(C)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000068074129 1123823433 /nfs/dbraw/zinc/82/34/33/1123823433.db2.gz QPVUTDRYWQHZFD-UHFFFAOYSA-N -1 1 340.792 3.650 20 5 EHBDMM CCCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](C)c1ccc(C)o1 ZINC000618368893 1125061963 /nfs/dbraw/zinc/06/19/63/1125061963.db2.gz SJMHQUOHZYSSAQ-GFCCVEGCSA-N -1 1 347.371 3.600 20 5 EHBDMM O=S(=O)(C[C@H]1CCCO1)[N-]c1cccc2cc3ccccc3cc21 ZINC001193263056 1135119129 /nfs/dbraw/zinc/11/91/29/1135119129.db2.gz XSWDXUKRQJZYLP-QGZVFWFLSA-N -1 1 341.432 3.914 20 5 EHBDMM O=C([N-]c1cccc([N+](=O)[O-])c1Cl)c1cc(-c2ccccn2)no1 ZINC000813244029 1136308190 /nfs/dbraw/zinc/30/81/90/1136308190.db2.gz KJSCREOITBLWLU-UHFFFAOYSA-N -1 1 344.714 3.551 20 5 EHBDMM CC(C)(C)c1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1 ZINC000872007069 1137564349 /nfs/dbraw/zinc/56/43/49/1137564349.db2.gz JDMFCZIQHQGJSO-UHFFFAOYSA-N -1 1 334.397 3.693 20 5 EHBDMM O=C([N-]c1ncn(C2CCCCC2)n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000186012725 1140182263 /nfs/dbraw/zinc/18/22/63/1140182263.db2.gz DAZACKHGBPQPMB-UHFFFAOYSA-N -1 1 349.778 3.597 20 5 EHBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000825637740 604036090 /nfs/dbraw/zinc/03/60/90/604036090.db2.gz GOWAOIDBDGIQEX-BBRMVZONSA-N -1 1 347.415 3.510 20 5 EHBDMM O=C([O-])c1sccc1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000572489976 974749088 /nfs/dbraw/zinc/74/90/88/974749088.db2.gz LIPVZGSHBGXFHN-UHFFFAOYSA-N -1 1 332.381 3.519 20 5 EHBDMM CCCc1nc(C)cc(OCc2ccccc2[N+](=O)[O-])c1C(=O)[O-] ZINC001596090197 983415474 /nfs/dbraw/zinc/41/54/74/983415474.db2.gz XFMBXTACCZRDDX-UHFFFAOYSA-N -1 1 330.340 3.528 20 5 EHBDMM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001593196509 994155720 /nfs/dbraw/zinc/15/57/20/994155720.db2.gz VIEITGYOYVMHMH-BMIGLBTASA-N -1 1 334.759 3.725 20 5 EHBDMM Cc1ccc(Cl)c2sc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)nc21 ZINC000517409480 1022315897 /nfs/dbraw/zinc/31/58/97/1022315897.db2.gz BBUDIXMYLHUOPR-UHFFFAOYSA-N -1 1 336.760 3.747 20 5 EHBDMM Cc1ccc(F)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1Br ZINC000362050709 1025454586 /nfs/dbraw/zinc/45/45/86/1025454586.db2.gz SHRCUMALKJPDEO-UHFFFAOYSA-N -1 1 343.108 3.650 20 5 EHBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cnc(-c2ccco2)s1 ZINC000728805092 1027537268 /nfs/dbraw/zinc/53/72/68/1027537268.db2.gz GHZVJKXTIOXOHX-UHFFFAOYSA-N -1 1 333.300 3.703 20 5 EHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1CCC1CCCCC1 ZINC000444985871 1028452128 /nfs/dbraw/zinc/45/21/28/1028452128.db2.gz MBDWTFQLPKKXHO-HNNXBMFYSA-N -1 1 347.415 3.661 20 5 EHBDMM O=[N+]([O-])c1cc(F)ccc1/C=C/c1nc(-c2ccc([O-])cc2F)no1 ZINC000445458197 1028830237 /nfs/dbraw/zinc/83/02/37/1028830237.db2.gz WIEKMFRHOWSAMU-QHHAFSJGSA-N -1 1 345.261 3.799 20 5 EHBDMM O=C(Nc1cc(F)ccc1SCC(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000348572273 1044344691 /nfs/dbraw/zinc/34/46/91/1044344691.db2.gz DXDSYRJUTAJZMT-UHFFFAOYSA-N -1 1 345.302 3.672 20 5 EHBDMM Nc1ccc2n(-c3c(F)cc([O-])cc3F)c3ccccc3cc-2c1=O ZINC001175103710 1132554592 /nfs/dbraw/zinc/55/45/92/1132554592.db2.gz WZKLEQDDEOCFQL-UHFFFAOYSA-N -1 1 338.313 3.662 20 5 EHBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(c2cccc(F)c2)CC1 ZINC000769390145 1133275544 /nfs/dbraw/zinc/27/55/44/1133275544.db2.gz QUCYEKXXYOTHSJ-UHFFFAOYSA-N -1 1 330.359 3.819 20 5 EHBDMM COc1ccc([C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])C2CC2)cc1 ZINC000339074618 1137358566 /nfs/dbraw/zinc/35/85/66/1137358566.db2.gz HWSCUZIRHYZHJC-SFHVURJKSA-N -1 1 328.368 3.550 20 5 EHBDMM O=C([O-])CCN(Cc1ccccc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000692461537 601112987 /nfs/dbraw/zinc/11/29/87/601112987.db2.gz MIZRAXYLBWZSPU-UHFFFAOYSA-N -1 1 348.786 3.725 20 5 EHBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000593744130 953755603 /nfs/dbraw/zinc/75/56/03/953755603.db2.gz NFAQAURRSNAIFH-SCLBCKFNSA-N -1 1 340.379 3.648 20 5 EHBDMM CC(C)N(Cc1cccs1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593733201 974984164 /nfs/dbraw/zinc/98/41/64/974984164.db2.gz ZUDAGVSCLXGDDM-UHFFFAOYSA-N -1 1 334.397 3.765 20 5 EHBDMM C[C@H](NCc1ccc(C(=O)[O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC001599901228 984831921 /nfs/dbraw/zinc/83/19/21/984831921.db2.gz AXAWFSXFYNLZTL-JTQLQIEISA-N -1 1 334.759 3.797 20 5 EHBDMM C[C@@H](C(=O)[O-])N(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCC1 ZINC001589486702 987033428 /nfs/dbraw/zinc/03/34/28/987033428.db2.gz KZDPCEIFAXIOOQ-LBPRGKRZSA-N -1 1 344.367 3.682 20 5 EHBDMM CN(CCc1ccccc1[N+](=O)[O-])Cc1cccc(C(=O)[O-])c1Cl ZINC001598502434 992451830 /nfs/dbraw/zinc/45/18/30/992451830.db2.gz ZZFFAWKAUPIDLS-UHFFFAOYSA-N -1 1 348.786 3.621 20 5 EHBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000340330687 1016952852 /nfs/dbraw/zinc/95/28/52/1016952852.db2.gz LNVPABCCRZUHQI-VIFPVBQESA-N -1 1 336.344 3.559 20 5 EHBDMM O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000427494260 1021426304 /nfs/dbraw/zinc/42/63/04/1021426304.db2.gz DUBZOJMIRWATMA-UHFFFAOYSA-N -1 1 348.771 3.952 20 5 EHBDMM O=C(Nc1ccc(OC2CCCCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000522534756 1024060172 /nfs/dbraw/zinc/06/01/72/1024060172.db2.gz USJBPKJMKHLWKO-UHFFFAOYSA-N -1 1 329.356 3.887 20 5 EHBDMM Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)s1 ZINC000342973532 1028461224 /nfs/dbraw/zinc/46/12/24/1028461224.db2.gz SQQBPLPIYJNPFL-UHFFFAOYSA-N -1 1 334.382 3.669 20 5 EHBDMM O=C(Nc1ccc(Cl)cc1[O-])c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000532837695 1028915513 /nfs/dbraw/zinc/91/55/13/1028915513.db2.gz RGTFKUKEUVBJNX-UHFFFAOYSA-N -1 1 332.699 3.952 20 5 EHBDMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2Cl)c([N+](=O)[O-])c1 ZINC000161059351 1031280538 /nfs/dbraw/zinc/28/05/38/1031280538.db2.gz DONSHRSACGEPSA-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604076657 1034182872 /nfs/dbraw/zinc/18/28/72/1034182872.db2.gz AOUNEVCCKYIWLR-UHFFFAOYSA-N -1 1 348.790 3.819 20 5 EHBDMM COc1ccc([N-]C(=O)c2cc(-c3ccccc3)no2)c([N+](=O)[O-])c1 ZINC000075512231 1037591359 /nfs/dbraw/zinc/59/13/59/1037591359.db2.gz CFRQHUCFTANQIH-UHFFFAOYSA-N -1 1 339.307 3.511 20 5 EHBDMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccccc1[N+](=O)[O-] ZINC000463261501 1037944146 /nfs/dbraw/zinc/94/41/46/1037944146.db2.gz IOJKANKYRMUGGE-SSDOTTSWSA-N -1 1 345.302 3.963 20 5 EHBDMM O=[N+]([O-])c1ccc(Cl)nc1[N-][C@@H](c1ccccn1)C(F)(F)F ZINC001168479821 1120978422 /nfs/dbraw/zinc/97/84/22/1120978422.db2.gz ORPHTIUHCFZRTD-JTQLQIEISA-N -1 1 332.669 3.754 20 5 EHBDMM COc1cnc(C=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[n-]c1=O ZINC000821009122 1137015594 /nfs/dbraw/zinc/01/55/94/1137015594.db2.gz WZLQZQLTVWHZJG-CLFYSBASSA-N -1 1 339.307 3.529 20 5 EHBDMM C[C@@H](C(=O)[O-])[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000833406431 605215123 /nfs/dbraw/zinc/21/51/23/605215123.db2.gz GBUAWGHCELAQOE-BZNIZROVSA-N -1 1 348.786 3.800 20 5 EHBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000824656243 607838732 /nfs/dbraw/zinc/83/87/32/607838732.db2.gz JNTVBRSYKALHKZ-SECBINFHSA-N -1 1 344.762 3.601 20 5 EHBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000824656243 607838733 /nfs/dbraw/zinc/83/87/33/607838733.db2.gz JNTVBRSYKALHKZ-SECBINFHSA-N -1 1 344.762 3.601 20 5 EHBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000558831450 1014621995 /nfs/dbraw/zinc/62/19/95/1014621995.db2.gz RXXXKIATLRZCHL-UHFFFAOYSA-N -1 1 336.731 3.605 20 5 EHBDMM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000516343723 1021328764 /nfs/dbraw/zinc/32/87/64/1021328764.db2.gz QNNSXXDVDYDWPS-UHFFFAOYSA-N -1 1 348.852 3.741 20 5 EHBDMM CC(C)(C)Oc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000546285368 1022935726 /nfs/dbraw/zinc/93/57/26/1022935726.db2.gz SUZRVOMXIKLLPW-UHFFFAOYSA-N -1 1 328.328 3.817 20 5 EHBDMM O=C([N-]c1c2nsnc2ccc1Cl)c1csc([N+](=O)[O-])c1 ZINC000173266182 1033190813 /nfs/dbraw/zinc/19/08/13/1033190813.db2.gz GATJURBQULRSCZ-UHFFFAOYSA-N -1 1 340.773 3.567 20 5 EHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[n-]1 ZINC000545009466 1024366584 /nfs/dbraw/zinc/36/65/84/1024366584.db2.gz KIJIEKHYVBATQX-UHFFFAOYSA-N -1 1 340.217 3.539 20 5 EHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 ZINC000014257090 1024922200 /nfs/dbraw/zinc/92/22/00/1024922200.db2.gz KVODSBAURVAPMX-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)c1 ZINC000442257347 1025241413 /nfs/dbraw/zinc/24/14/13/1025241413.db2.gz ZMEMBQVNBLOIKE-UHFFFAOYSA-N -1 1 332.381 3.663 20 5 EHBDMM CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](CC)c1ccccc1 ZINC000445190697 1028601360 /nfs/dbraw/zinc/60/13/60/1028601360.db2.gz KQXDNVUAJQINFE-OAHLLOKOSA-N -1 1 343.383 3.699 20 5 EHBDMM O=[N+]([O-])c1ccccc1/C=C\c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445483865 1028844501 /nfs/dbraw/zinc/84/45/01/1028844501.db2.gz XCWIFBNZKDIXJM-VURMDHGXSA-N -1 1 327.271 3.660 20 5 EHBDMM C[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1C(=O)[O-] ZINC000424411741 1029056067 /nfs/dbraw/zinc/05/60/67/1029056067.db2.gz BNTJTABGJNQXHW-YVEFUNNKSA-N -1 1 344.367 3.540 20 5 EHBDMM O=C(c1cc2ccccc2cc1[O-])N1CCc2ccc([N+](=O)[O-])cc21 ZINC000122065068 1031341897 /nfs/dbraw/zinc/34/18/97/1031341897.db2.gz DMCFNNYTPPTFMB-UHFFFAOYSA-N -1 1 334.331 3.657 20 5 EHBDMM CC(C)Cn1ncc([N-]c2c(Cl)cncc2[N+](=O)[O-])c1C(F)F ZINC000596177649 1034118464 /nfs/dbraw/zinc/11/84/64/1034118464.db2.gz GTNJPNHSOXVCSC-UHFFFAOYSA-N -1 1 345.737 3.599 20 5 EHBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c([O-])cccc1F ZINC000609851199 1123675065 /nfs/dbraw/zinc/67/50/65/1123675065.db2.gz SWWYGQGOHMSAJH-SECBINFHSA-N -1 1 336.344 3.559 20 5 EHBDMM [O-]c1cnccc1-c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001212722575 1132045583 /nfs/dbraw/zinc/04/55/83/1132045583.db2.gz OLBYIEHIGVQXAV-UHFFFAOYSA-N -1 1 341.330 3.601 20 5 EHBDMM CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001184532940 1133949704 /nfs/dbraw/zinc/94/97/04/1133949704.db2.gz BOBMXIZOJXUUQZ-LLVKDONJSA-N -1 1 348.852 3.741 20 5 EHBDMM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111667496 1136569878 /nfs/dbraw/zinc/56/98/78/1136569878.db2.gz URAPOJVPRHRWIG-UHFFFAOYSA-N -1 1 338.772 3.928 20 5 EHBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000111668462 1136570018 /nfs/dbraw/zinc/57/00/18/1136570018.db2.gz LEWCYWRACXBADL-UHFFFAOYSA-N -1 1 327.123 3.860 20 5 EHBDMM Cc1ccccc1-c1cnc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)s1 ZINC001137121048 1137676862 /nfs/dbraw/zinc/67/68/62/1137676862.db2.gz RDJABZFYCCSGJP-UHFFFAOYSA-N -1 1 328.353 3.607 20 5 EHBDMM CC[C@@H](N[C@H](C(=O)[O-])c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000828983365 601380322 /nfs/dbraw/zinc/38/03/22/601380322.db2.gz SSZVNFVRPYUZFJ-CVEARBPZSA-N -1 1 332.331 3.601 20 5 EHBDMM CCOC(=O)c1nc(C2CC2)oc1[N-]c1cccc([N+](=O)[O-])c1F ZINC001210381743 1017922985 /nfs/dbraw/zinc/92/29/85/1017922985.db2.gz PCAPYLJQAVQGQR-UHFFFAOYSA-N -1 1 335.291 3.520 20 5 EHBDMM O=[N+]([O-])c1ccc([O-])cc1CN(CCc1ccc(F)cc1)C1CC1 ZINC000338996083 1026332360 /nfs/dbraw/zinc/33/23/60/1026332360.db2.gz CQASYRPBHDLDAB-UHFFFAOYSA-N -1 1 330.359 3.647 20 5 EHBDMM O=[N+]([O-])c1cccc(/C=C\c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445456535 1028824758 /nfs/dbraw/zinc/82/47/58/1028824758.db2.gz VHXHMITXNAWKHB-DAXSKMNVSA-N -1 1 327.271 3.660 20 5 EHBDMM O=[N+]([O-])c1cccc(/C=C/c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445478035 1028837237 /nfs/dbraw/zinc/83/72/37/1028837237.db2.gz PHVOCKLGZZKDGS-QPJJXVBHSA-N -1 1 327.271 3.660 20 5 EHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)cc1 ZINC000447273005 1030039946 /nfs/dbraw/zinc/03/99/46/1030039946.db2.gz UHDKADPBXYJMOC-UHFFFAOYSA-N -1 1 332.381 3.663 20 5 EHBDMM Cc1cc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)oc1C(=O)[O-] ZINC000568889673 1042906839 /nfs/dbraw/zinc/90/68/39/1042906839.db2.gz AAPHATFQTACEAJ-UHFFFAOYSA-N -1 1 332.356 3.605 20 5 EHBDMM CCO[C@@H]1C[C@@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1(CC)CC ZINC001167820816 1042907064 /nfs/dbraw/zinc/90/70/64/1042907064.db2.gz WUSMMBICVPLTBQ-IAGOWNOFSA-N -1 1 336.432 3.716 20 5 EHBDMM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000731982545 1130872875 /nfs/dbraw/zinc/87/28/75/1130872875.db2.gz SIQDCFLNSCJLMD-UHFFFAOYSA-N -1 1 339.666 3.548 20 5 EHBDMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001177588415 1133083948 /nfs/dbraw/zinc/08/39/48/1133083948.db2.gz XIBZOLMJKARTPB-GFCCVEGCSA-N -1 1 336.347 3.945 20 5 EHBDMM CCc1ccc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)c([O-])c1 ZINC001183834377 1133862535 /nfs/dbraw/zinc/86/25/35/1133862535.db2.gz ATHIUFWPNNPIOK-UHFFFAOYSA-N -1 1 337.335 3.663 20 5 EHBDMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000014255988 1024870885 /nfs/dbraw/zinc/87/08/85/1024870885.db2.gz HKPPLESHNUCYMW-UHFFFAOYSA-N -1 1 334.397 3.594 20 5 EHBDMM Cc1sc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nc1-c1ccc(C)cc1 ZINC000343496599 1031117495 /nfs/dbraw/zinc/11/74/95/1031117495.db2.gz JAZVOPQHPFQFAZ-UHFFFAOYSA-N -1 1 342.380 3.916 20 5 EHBDMM COC(=O)c1cnc([N-]c2csc3ccccc23)c([N+](=O)[O-])c1 ZINC000477720735 1031809930 /nfs/dbraw/zinc/80/99/30/1031809930.db2.gz QSKMCSXLDGUHLU-UHFFFAOYSA-N -1 1 329.337 3.735 20 5 EHBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000462781361 1037384772 /nfs/dbraw/zinc/38/47/72/1037384772.db2.gz RWYCRARSCBNYMZ-LBPRGKRZSA-N -1 1 332.331 3.647 20 5 EHBDMM CCO[C@@H]1C[C@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1(CC)CC ZINC001167820815 1042906688 /nfs/dbraw/zinc/90/66/88/1042906688.db2.gz WUSMMBICVPLTBQ-DLBZAZTESA-N -1 1 336.432 3.716 20 5 EHBDMM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1ccccc1[N+](=O)[O-] ZINC000112595530 1127455620 /nfs/dbraw/zinc/45/56/20/1127455620.db2.gz HCJRDLCUETUTLV-UHFFFAOYSA-N -1 1 344.327 3.505 20 5 EHBDMM O=C([N-]c1nnc(C2CCCCC2)s1)c1csc([N+](=O)[O-])c1 ZINC000916043814 1122032656 /nfs/dbraw/zinc/03/26/56/1122032656.db2.gz GSQOWGXEQXALRV-UHFFFAOYSA-N -1 1 338.414 3.808 20 5 EHBDMM COc1nscc1[N-]C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001176769217 1133000055 /nfs/dbraw/zinc/00/00/55/1133000055.db2.gz ZAZDJLLQSIKGNT-UHFFFAOYSA-N -1 1 348.167 3.619 20 5 EHBDMM Nc1ccccc1S(=O)(=O)[N-]c1ccc2nc3ccccc3cc2c1 ZINC001193932735 1135201338 /nfs/dbraw/zinc/20/13/38/1135201338.db2.gz SHGQLRRQIRXVLS-UHFFFAOYSA-N -1 1 349.415 3.771 20 5 EHBDMM CC(C)(C)c1nsc([N-]C(=O)c2cccc([N+](=O)[O-])c2Cl)n1 ZINC000859150584 1137005106 /nfs/dbraw/zinc/00/51/06/1137005106.db2.gz FMAOOJUXHQSRBF-UHFFFAOYSA-N -1 1 340.792 3.650 20 5 EHBDMM CC(C)Cc1nsc([N-]C(=O)c2cccc([N+](=O)[O-])c2Cl)n1 ZINC000862190547 1137131800 /nfs/dbraw/zinc/13/18/00/1137131800.db2.gz WITMPGKTSBYAKA-UHFFFAOYSA-N -1 1 340.792 3.551 20 5 EHBDMM Cc1sc(C)c2c1[n-]c(Cc1ccc([N+](=O)[O-])c(C)c1)nc2=O ZINC000864354596 1137223301 /nfs/dbraw/zinc/22/33/01/1137223301.db2.gz HGYGUMIWYYVBMF-UHFFFAOYSA-N -1 1 329.381 3.821 20 5 EHBDMM CC(C)(C)c1nc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)cs1 ZINC000263662369 1138338473 /nfs/dbraw/zinc/33/84/73/1138338473.db2.gz KFIBEKJJBGNPML-UHFFFAOYSA-N -1 1 341.339 3.879 20 5 EHBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCCN2C(=O)[O-])CC1 ZINC000825637743 604036239 /nfs/dbraw/zinc/03/62/39/604036239.db2.gz GOWAOIDBDGIQEX-XJKSGUPXSA-N -1 1 347.415 3.510 20 5 EHBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)c1 ZINC000461330292 1032402418 /nfs/dbraw/zinc/40/24/18/1032402418.db2.gz CVDUSYFSHUNJRH-UHFFFAOYSA-N -1 1 332.381 3.663 20 5 EHBDMM CCCc1nnc([N-]C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000275842723 1019070574 /nfs/dbraw/zinc/07/05/74/1019070574.db2.gz HEXOMWQIECRCKX-UHFFFAOYSA-N -1 1 340.792 3.613 20 5 EHBDMM CCc1ccc(-c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)c([O-])c1 ZINC000436849236 1021291994 /nfs/dbraw/zinc/29/19/94/1021291994.db2.gz YSLDEZAWIAMWME-UHFFFAOYSA-N -1 1 325.324 3.888 20 5 EHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3c(Cl)cccc3Cl)no2)[n-]1 ZINC000505073069 1029185086 /nfs/dbraw/zinc/18/50/86/1029185086.db2.gz CWLFRDDNPOEWIF-UHFFFAOYSA-N -1 1 325.111 3.947 20 5 EHBDMM CCc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2CC)c1 ZINC000583904109 1031089733 /nfs/dbraw/zinc/08/97/33/1031089733.db2.gz BYBWGLQFMNNQNE-UHFFFAOYSA-N -1 1 334.397 3.520 20 5 EHBDMM O=C(c1ccc2ccccc2c1[O-])N1CCc2ccc([N+](=O)[O-])cc21 ZINC000122067608 1031345922 /nfs/dbraw/zinc/34/59/22/1031345922.db2.gz GCCSWNHVRSFTOP-UHFFFAOYSA-N -1 1 334.331 3.657 20 5 EHBDMM CSc1cccnc1[N-]C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000593843982 1034316272 /nfs/dbraw/zinc/31/62/72/1034316272.db2.gz LHHJIYZMBOXGFF-UHFFFAOYSA-N -1 1 347.396 3.751 20 5 EHBDMM CCO[C@H]1C[C@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1(CC)CC ZINC001167820817 1042906739 /nfs/dbraw/zinc/90/67/39/1042906739.db2.gz WUSMMBICVPLTBQ-IRXDYDNUSA-N -1 1 336.432 3.716 20 5 EHBDMM O=c1cc(C2CC2)nc(SCc2cc([N+](=O)[O-])ccc2Cl)[n-]1 ZINC000767089150 1132947476 /nfs/dbraw/zinc/94/74/76/1132947476.db2.gz YZAXOGJRJIWIFL-UHFFFAOYSA-N -1 1 337.788 3.914 20 5 EHBDMM O=C([N-]c1nc2ccc3scnc3c2s1)c1ccc([N+](=O)[O-])o1 ZINC001134503490 1136478278 /nfs/dbraw/zinc/47/82/78/1136478278.db2.gz ZMKPQPYRQLMLFA-UHFFFAOYSA-N -1 1 346.349 3.660 20 5 EHBDMM CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000737472677 600214024 /nfs/dbraw/zinc/21/40/24/600214024.db2.gz WNHFCAAWWMBDIF-OAHLLOKOSA-N -1 1 334.759 3.506 20 5 EHBDMM CC[C@@](NCc1cc([N+](=O)[O-])ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000736916436 600408120 /nfs/dbraw/zinc/40/81/20/600408120.db2.gz IPYLGIRBVKROHZ-KRWDZBQOSA-N -1 1 348.786 3.728 20 5 EHBDMM C[C@@H](NCc1ccc(C2(C(=O)[O-])CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC001599841678 988848106 /nfs/dbraw/zinc/84/81/06/988848106.db2.gz CKJKRDPRLDWBMQ-CYBMUJFWSA-N -1 1 340.379 3.562 20 5 EHBDMM O=[N+]([O-])c1ccccc1-c1ccc(C[N-]c2nnc(C(F)F)o2)o1 ZINC000189294509 1016502836 /nfs/dbraw/zinc/50/28/36/1016502836.db2.gz XDSALCXPDWDWHQ-UHFFFAOYSA-N -1 1 336.254 3.788 20 5 EHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(C(F)(F)F)s3)no2)[n-]1 ZINC000904970219 1032305841 /nfs/dbraw/zinc/30/58/41/1032305841.db2.gz IBWRBLUOYCJKQZ-UHFFFAOYSA-N -1 1 330.247 3.720 20 5 EHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1C ZINC000015243202 1019942083 /nfs/dbraw/zinc/94/20/83/1019942083.db2.gz ARQVUPOMHRTZLG-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM Cc1c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] ZINC000014253936 1024909901 /nfs/dbraw/zinc/90/99/01/1024909901.db2.gz WHASXDRQVNWJPM-UHFFFAOYSA-N -1 1 334.397 3.827 20 5 EHBDMM O=C(Nc1cccc([O-])c1F)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000548701941 1025523657 /nfs/dbraw/zinc/52/36/57/1025523657.db2.gz YGXUTWAPVUCELO-UHFFFAOYSA-N -1 1 348.333 3.778 20 5 EHBDMM CCc1[nH]nc(C(=O)[N-]c2ccccc2SC(C)C)c1[N+](=O)[O-] ZINC000185850072 1028767725 /nfs/dbraw/zinc/76/77/25/1028767725.db2.gz SGBPFMNEJQAVBR-UHFFFAOYSA-N -1 1 334.401 3.633 20 5 EHBDMM O=[N+]([O-])c1ccc2c(-c3nc(-c4ccc([O-])cc4F)no3)c[nH]c2c1 ZINC000445456439 1028822475 /nfs/dbraw/zinc/82/24/75/1028822475.db2.gz OHGIIQSYUSLAQJ-UHFFFAOYSA-N -1 1 340.270 3.638 20 5 EHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc([O-])cc3F)no2)c(Cl)c1 ZINC000445455475 1028822582 /nfs/dbraw/zinc/82/25/82/1028822582.db2.gz PUHGFDBFGDJXKL-UHFFFAOYSA-N -1 1 335.678 3.810 20 5 EHBDMM O=[N+]([O-])c1cccc(Cc2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445457741 1028826272 /nfs/dbraw/zinc/82/62/72/1028826272.db2.gz ZLIDVLARUYVIJY-UHFFFAOYSA-N -1 1 331.715 3.595 20 5 EHBDMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000541800375 1036650930 /nfs/dbraw/zinc/65/09/30/1036650930.db2.gz YMMQRDTTYHDWHH-UHFFFAOYSA-N -1 1 348.424 3.883 20 5 EHBDMM CCCC[C@@H](CC)CCCN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001648926343 1120217526 /nfs/dbraw/zinc/21/75/26/1120217526.db2.gz CRMVQOUHHXTXIT-CYBMUJFWSA-N -1 1 337.420 3.764 20 5 EHBDMM CC(C)(C)Sc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cn1 ZINC000762351269 1121261059 /nfs/dbraw/zinc/26/10/59/1121261059.db2.gz RJKATZRCOBZYGD-UHFFFAOYSA-N -1 1 345.384 3.926 20 5 EHBDMM CCC(CC)c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000054572365 1121352574 /nfs/dbraw/zinc/35/25/74/1121352574.db2.gz MCHQHWIIOYCBIT-UHFFFAOYSA-N -1 1 338.364 3.741 20 5 EHBDMM O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCc2cccc([O-])c21 ZINC000170872990 1123929026 /nfs/dbraw/zinc/92/90/26/1123929026.db2.gz AEPYCBXTLHJZEJ-UHFFFAOYSA-N -1 1 332.743 3.547 20 5 EHBDMM O=[N+]([O-])c1cc2c(nc1NCc1ccc([O-])c(Cl)c1)CCCC2 ZINC001187509668 1134339905 /nfs/dbraw/zinc/33/99/05/1134339905.db2.gz IVQBLUZWGYQQAB-UHFFFAOYSA-N -1 1 333.775 3.840 20 5 EHBDMM O=C1[N-]C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)s2)S1 ZINC000874927533 1137626431 /nfs/dbraw/zinc/62/64/31/1137626431.db2.gz JCGWNBCLPGPNSY-KPKJPENVSA-N -1 1 332.362 3.647 20 5 EHBDMM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000830819487 604785904 /nfs/dbraw/zinc/78/59/04/604785904.db2.gz QFLJQJPPYDJNIK-UHFFFAOYSA-N -1 1 334.759 3.578 20 5 EHBDMM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414672719 973947089 /nfs/dbraw/zinc/94/70/89/973947089.db2.gz CJRPJSGJIYLZKL-LBPRGKRZSA-N -1 1 332.356 3.540 20 5 EHBDMM CCC(CC)c1cc(C(=O)[N-]c2ccc(OC)cc2[N+](=O)[O-])on1 ZINC000131083776 1017582380 /nfs/dbraw/zinc/58/23/80/1017582380.db2.gz XSBYRSCNGXWYGS-UHFFFAOYSA-N -1 1 333.344 3.747 20 5 EHBDMM O=[N+]([O-])c1cc(Nc2ccc(F)c(Br)c2[O-])ccc1O ZINC001210398053 1017953577 /nfs/dbraw/zinc/95/35/77/1017953577.db2.gz OFNPNIYQWXRPIM-UHFFFAOYSA-N -1 1 343.108 3.651 20 5 EHBDMM C[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1C(=O)[O-] ZINC000424424814 1029047313 /nfs/dbraw/zinc/04/73/13/1029047313.db2.gz XKNNJLSUWLGLSW-SJCJKPOMSA-N -1 1 344.367 3.540 20 5 EHBDMM C[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1C(=O)[O-] ZINC000424424812 1029047885 /nfs/dbraw/zinc/04/78/85/1029047885.db2.gz XKNNJLSUWLGLSW-PXAZEXFGSA-N -1 1 344.367 3.540 20 5 EHBDMM CC(C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(F)c1 ZINC000594419632 1033387097 /nfs/dbraw/zinc/38/70/97/1033387097.db2.gz YYPMYEOOKLZAHW-UHFFFAOYSA-N -1 1 335.335 3.739 20 5 EHBDMM O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604031040 1034160290 /nfs/dbraw/zinc/16/02/90/1034160290.db2.gz SZRFQNVMHJSJSL-UHFFFAOYSA-N -1 1 337.335 3.754 20 5 EHBDMM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604035360 1034163225 /nfs/dbraw/zinc/16/32/25/1034163225.db2.gz HKMVCRGCISBBSV-UHFFFAOYSA-N -1 1 333.653 3.847 20 5 EHBDMM CCc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2CC)cc1 ZINC000581222759 1035479832 /nfs/dbraw/zinc/47/98/32/1035479832.db2.gz DJHNNEXABMALNN-UHFFFAOYSA-N -1 1 334.397 3.520 20 5 EHBDMM CC(C)(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000512768118 1040854199 /nfs/dbraw/zinc/85/41/99/1040854199.db2.gz ZVFXAVZODPHMGQ-WDEREUQCSA-N -1 1 346.474 3.540 20 5 EHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000091054481 1128441169 /nfs/dbraw/zinc/44/11/69/1128441169.db2.gz KSOSNIXVDRPWBH-UHFFFAOYSA-N -1 1 334.397 3.629 20 5 EHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000055547470 1129774047 /nfs/dbraw/zinc/77/40/47/1129774047.db2.gz MQEYDISJMOLDEH-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM CCOC(=O)NC(=S)[N-]c1ccc2nc3ccccc3cc2c1 ZINC001195490094 1135433088 /nfs/dbraw/zinc/43/30/88/1135433088.db2.gz DBSYVXUDANJHKO-UHFFFAOYSA-N -1 1 325.393 3.831 20 5 EHBDMM CC(C)Cn1ncc([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C1CC1 ZINC000808098511 1135617314 /nfs/dbraw/zinc/61/73/14/1135617314.db2.gz NRENRLLDPQFMKN-UHFFFAOYSA-N -1 1 345.359 3.977 20 5 EHBDMM CSc1cccc(C(=O)[N-]c2nc(C(C)C)ns2)c1[N+](=O)[O-] ZINC000874694330 1137621428 /nfs/dbraw/zinc/62/14/28/1137621428.db2.gz MTPCXGIBYRLNID-UHFFFAOYSA-N -1 1 338.414 3.544 20 5 EHBDMM CCCCc1nnc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])s1 ZINC000175748761 1139515683 /nfs/dbraw/zinc/51/56/83/1139515683.db2.gz YIOCXTDWTUJRDO-UHFFFAOYSA-N -1 1 340.792 3.695 20 5 EHBDMM CC[C@H](NCc1ccc(C(=O)[O-])cc1F)c1cccc([N+](=O)[O-])c1 ZINC000833645864 605174339 /nfs/dbraw/zinc/17/43/39/605174339.db2.gz ZDBMTAIZSBKLFM-INIZCTEOSA-N -1 1 332.331 3.673 20 5 EHBDMM CC(C)[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccccc1 ZINC001574079949 948777996 /nfs/dbraw/zinc/77/79/96/948777996.db2.gz LWTZANWHWBVFJB-ZDUSSCGKSA-N -1 1 344.400 3.646 20 5 EHBDMM CC(C)[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccccc1 ZINC001574079949 948778005 /nfs/dbraw/zinc/77/80/05/948778005.db2.gz LWTZANWHWBVFJB-ZDUSSCGKSA-N -1 1 344.400 3.646 20 5 EHBDMM CCCC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000262720878 961825773 /nfs/dbraw/zinc/82/57/73/961825773.db2.gz VLCNUCARFOBNRE-HNNXBMFYSA-N -1 1 332.356 3.588 20 5 EHBDMM CC(C)N(Cc1csc(C(=O)[O-])c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000593735626 974984070 /nfs/dbraw/zinc/98/40/70/974984070.db2.gz RYBKTFQYYNLYKJ-UHFFFAOYSA-N -1 1 334.397 3.765 20 5 EHBDMM CC(C)N(Cc1ccc(F)cc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001591596674 992824043 /nfs/dbraw/zinc/82/40/43/992824043.db2.gz LQZVKIAQEBTIPA-UHFFFAOYSA-N -1 1 346.358 3.843 20 5 EHBDMM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001593196512 994155729 /nfs/dbraw/zinc/15/57/29/994155729.db2.gz VIEITGYOYVMHMH-ZUZCIYMTSA-N -1 1 334.759 3.725 20 5 EHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3C(F)(F)F)no2)[n-]1 ZINC000508043379 1024869154 /nfs/dbraw/zinc/86/91/54/1024869154.db2.gz VFUMHZWKBIGFJU-UHFFFAOYSA-N -1 1 342.208 3.798 20 5 EHBDMM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1C1CC1 ZINC000442226264 1025211580 /nfs/dbraw/zinc/21/15/80/1025211580.db2.gz ZHHXKZTVDBHICX-UHFFFAOYSA-N -1 1 332.381 3.581 20 5 EHBDMM COc1cc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc(Cl)c1[O-] ZINC000443087074 1025695990 /nfs/dbraw/zinc/69/59/90/1025695990.db2.gz OPFGVKWYTCWBNJ-UHFFFAOYSA-N -1 1 347.714 3.679 20 5 EHBDMM O=C(Nc1ccc(F)cc1[O-])c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000531756466 1027285549 /nfs/dbraw/zinc/28/55/49/1027285549.db2.gz RHSPKZWIYZMSJB-UHFFFAOYSA-N -1 1 332.312 3.907 20 5 EHBDMM O=C(Nc1cc(Cl)ccc1[O-])c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130295891 1028373327 /nfs/dbraw/zinc/37/33/27/1028373327.db2.gz HGSYAMWRYNHGNM-UHFFFAOYSA-N -1 1 331.715 3.687 20 5 EHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2Cl)c([N+](=O)[O-])c1 ZINC000524793154 1029514144 /nfs/dbraw/zinc/51/41/44/1029514144.db2.gz GNHPHNCCBWYXGJ-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1[N+](=O)[O-] ZINC000007055750 1031215164 /nfs/dbraw/zinc/21/51/64/1031215164.db2.gz RCGXGOKUIMRMOO-UHFFFAOYSA-N -1 1 334.397 3.827 20 5 EHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3OC3CCC3)no2)[n-]1 ZINC000599182533 1033804962 /nfs/dbraw/zinc/80/49/62/1033804962.db2.gz MBAQIMOUKGFJRX-UHFFFAOYSA-N -1 1 326.312 3.571 20 5 EHBDMM Cc1cc([C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])C2CC2)ccc1F ZINC000555421961 1040558674 /nfs/dbraw/zinc/55/86/74/1040558674.db2.gz YQZVWCPMYLATLU-SFHVURJKSA-N -1 1 330.359 3.989 20 5 EHBDMM Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000342773591 1044135134 /nfs/dbraw/zinc/13/51/34/1044135134.db2.gz BZBXMPPLURAINP-UHFFFAOYSA-N -1 1 328.353 3.607 20 5 EHBDMM Cc1c([N-]S(=O)(=O)c2cccc3c2CCCC3)cccc1[N+](=O)[O-] ZINC000762596075 1121375098 /nfs/dbraw/zinc/37/50/98/1121375098.db2.gz WUCFMQLTDCKRCJ-UHFFFAOYSA-N -1 1 346.408 3.583 20 5 EHBDMM Cc1nc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)sc1-c1ccccc1 ZINC000918628251 1122869166 /nfs/dbraw/zinc/86/91/66/1122869166.db2.gz JYPDTKRZBCTLAH-UHFFFAOYSA-N -1 1 328.353 3.607 20 5 EHBDMM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000813242000 1136307114 /nfs/dbraw/zinc/30/71/14/1136307114.db2.gz KFLMWZUBSPYODA-UHFFFAOYSA-N -1 1 349.652 3.816 20 5 EHBDMM COc1cnc(C=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[n-]c1=O ZINC000821009123 1137015573 /nfs/dbraw/zinc/01/55/73/1137015573.db2.gz WZLQZQLTVWHZJG-VQHVLOKHSA-N -1 1 339.307 3.529 20 5 EHBDMM O=C([N-]c1ccccc1SC1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000136364900 1138796913 /nfs/dbraw/zinc/79/69/13/1138796913.db2.gz ZETBRAUZAYCFBG-UHFFFAOYSA-N -1 1 332.385 3.605 20 5 EHBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000593744131 953755371 /nfs/dbraw/zinc/75/53/71/953755371.db2.gz NFAQAURRSNAIFH-UGSOOPFHSA-N -1 1 340.379 3.648 20 5 EHBDMM O=C([O-])[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC001594903707 954654221 /nfs/dbraw/zinc/65/42/21/954654221.db2.gz WOJAVRYJCNPVFS-HOCLYGCPSA-N -1 1 346.770 3.651 20 5 EHBDMM O=C([O-])[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC001594903710 954654509 /nfs/dbraw/zinc/65/45/09/954654509.db2.gz WOJAVRYJCNPVFS-ZBFHGGJFSA-N -1 1 346.770 3.651 20 5 EHBDMM CC(C)CCC1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593744717 974986294 /nfs/dbraw/zinc/98/62/94/974986294.db2.gz TUMXMLXFJJTPSW-UHFFFAOYSA-N -1 1 334.416 3.941 20 5 EHBDMM CCc1nc(SCc2c(F)cc([N+](=O)[O-])cc2F)[n-]c(=O)c1C ZINC000578787488 1017626988 /nfs/dbraw/zinc/62/69/88/1017626988.db2.gz QPMAJNUYYWOQOC-UHFFFAOYSA-N -1 1 341.339 3.532 20 5 EHBDMM CCc1ccc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)c([O-])c1 ZINC000436839000 1021282167 /nfs/dbraw/zinc/28/21/67/1021282167.db2.gz KWFFSUWQDFGCSB-UHFFFAOYSA-N -1 1 325.324 3.504 20 5 EHBDMM O=C(Nc1c([O-])cccc1F)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000610966599 1023914368 /nfs/dbraw/zinc/91/43/68/1023914368.db2.gz GOOHEYSJADJRLF-UHFFFAOYSA-N -1 1 344.220 3.711 20 5 EHBDMM CCCc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1 ZINC000014253933 1024873247 /nfs/dbraw/zinc/87/32/47/1024873247.db2.gz NUNBGYFIWPSWBV-UHFFFAOYSA-N -1 1 334.397 3.657 20 5 EHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)[n-]1 ZINC000504800848 1028926498 /nfs/dbraw/zinc/92/64/98/1028926498.db2.gz BABSOCYWGJKCDF-UHFFFAOYSA-N -1 1 349.306 3.827 20 5 EHBDMM CSc1cc(F)ccc1[N-]C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000592899411 1033630446 /nfs/dbraw/zinc/63/04/46/1033630446.db2.gz QTCWXWNRJUYSSC-UHFFFAOYSA-N -1 1 338.364 3.555 20 5 EHBDMM Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000040945638 1043750297 /nfs/dbraw/zinc/75/02/97/1043750297.db2.gz JKYBRWFCCOLNQE-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM CCOc1cc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)ccc1O ZINC000077256512 1123541935 /nfs/dbraw/zinc/54/19/35/1123541935.db2.gz YJCWIWDQFXRUKT-UHFFFAOYSA-N -1 1 332.359 3.848 20 5 EHBDMM CC(C)(C(=O)Nc1ccc([O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000509185568 1129934847 /nfs/dbraw/zinc/93/48/47/1129934847.db2.gz PATLGNIIORRKDU-UHFFFAOYSA-N -1 1 334.759 3.870 20 5 EHBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000769673047 1133328256 /nfs/dbraw/zinc/32/82/56/1133328256.db2.gz VCMBPVLOFQALKX-UHFFFAOYSA-N -1 1 346.408 3.583 20 5 EHBDMM Cc1nc(SCc2cc(Cl)ccc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000776868380 1136749286 /nfs/dbraw/zinc/74/92/86/1136749286.db2.gz FQECSKODRUAALX-UHFFFAOYSA-N -1 1 325.777 3.653 20 5 EHBDMM CCCCCC[C@H](CC)CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001148775979 1137433116 /nfs/dbraw/zinc/43/31/16/1137433116.db2.gz NSGURRPIPZPXLL-ZDUSSCGKSA-N -1 1 337.420 3.764 20 5 EHBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1nc(C(C)C)ns1 ZINC000874694662 1137621360 /nfs/dbraw/zinc/62/13/60/1137621360.db2.gz XSUUPHXNZZCMFP-UHFFFAOYSA-N -1 1 340.792 3.784 20 5 EHBDMM CCCC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000262720879 961824819 /nfs/dbraw/zinc/82/48/19/961824819.db2.gz VLCNUCARFOBNRE-OAHLLOKOSA-N -1 1 332.356 3.588 20 5 EHBDMM C[C@H](CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC001592598644 978532276 /nfs/dbraw/zinc/53/22/76/978532276.db2.gz IFDHPYFSNDAXMB-MRVPVSSYSA-N -1 1 347.198 3.587 20 5 EHBDMM C[C@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC001599901096 984828535 /nfs/dbraw/zinc/82/85/35/984828535.db2.gz NQKMKRQIIOSQDA-BONVTDFDSA-N -1 1 334.759 3.725 20 5 EHBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1nc(Cl)ccc1Cl ZINC000035122501 1032176771 /nfs/dbraw/zinc/17/67/71/1032176771.db2.gz GZKDWNOKDLKPDP-UHFFFAOYSA-N -1 1 330.102 3.688 20 5 EHBDMM CSc1ccncc1[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000610544918 1021977238 /nfs/dbraw/zinc/97/72/38/1021977238.db2.gz CVNVIIYPVIQYDX-UHFFFAOYSA-N -1 1 329.337 3.710 20 5 EHBDMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C(C)C)c([N+](=O)[O-])c2)o1 ZINC000426800164 1023053106 /nfs/dbraw/zinc/05/31/06/1023053106.db2.gz NGEZPTMZJJWJEF-OAHLLOKOSA-N -1 1 346.383 3.925 20 5 EHBDMM CC(C)(C)C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000426801574 1023055729 /nfs/dbraw/zinc/05/57/29/1023055729.db2.gz UVUDHYJGXMQFTR-HNNXBMFYSA-N -1 1 346.383 3.834 20 5 EHBDMM CCc1ccccc1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000544641091 1025981639 /nfs/dbraw/zinc/98/16/39/1025981639.db2.gz BRTGRVZTMAGASO-UHFFFAOYSA-N -1 1 334.397 3.575 20 5 EHBDMM Cc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1[N+](=O)[O-] ZINC000445452374 1028818785 /nfs/dbraw/zinc/81/87/85/1028818785.db2.gz BTEVGGSBPBSVNT-UHFFFAOYSA-N -1 1 331.715 3.979 20 5 EHBDMM O=[N+]([O-])c1ccc2oc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc2c1 ZINC000445484599 1028843947 /nfs/dbraw/zinc/84/39/47/1028843947.db2.gz XNFFOMSBQNYUIG-UHFFFAOYSA-N -1 1 341.254 3.903 20 5 EHBDMM Cc1cccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1Cl ZINC000525822419 1030147387 /nfs/dbraw/zinc/14/73/87/1030147387.db2.gz GYIKBLYBLGABDD-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604075129 1034182574 /nfs/dbraw/zinc/18/25/74/1034182574.db2.gz JXQCEKUOQSQVKT-UHFFFAOYSA-N -1 1 347.334 3.719 20 5 EHBDMM O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc([N+](=O)[O-])[n-]1 ZINC000604071348 1034198336 /nfs/dbraw/zinc/19/83/36/1034198336.db2.gz DDLQCMHLHATFHC-UHFFFAOYSA-N -1 1 343.339 3.607 20 5 EHBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000091054697 1128440958 /nfs/dbraw/zinc/44/09/58/1128440958.db2.gz BRXPFGXXWKGYQY-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM O=C(Nc1ccc(Cl)c(Br)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000094670827 1128835706 /nfs/dbraw/zinc/83/57/06/1128835706.db2.gz AOFVHUUXLJDTSK-UHFFFAOYSA-N -1 1 344.552 3.591 20 5 EHBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(F)c1[O-] ZINC001648850264 1120054654 /nfs/dbraw/zinc/05/46/54/1120054654.db2.gz DWLQFKWJNDVIOI-UHFFFAOYSA-N -1 1 336.344 3.804 20 5 EHBDMM COc1cccc(C(=O)[N-]c2c(F)cc(Cl)cc2F)c1[N+](=O)[O-] ZINC000194824415 1122973977 /nfs/dbraw/zinc/97/39/77/1122973977.db2.gz BWZHBLXEAMXGIC-UHFFFAOYSA-N -1 1 342.685 3.787 20 5 EHBDMM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1c([O-])cc(F)cc1F ZINC000735531873 1131355895 /nfs/dbraw/zinc/35/58/95/1131355895.db2.gz HGUXECCIQACCCN-UHFFFAOYSA-N -1 1 343.669 3.589 20 5 EHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C(C)C)c1 ZINC000030530134 1129920237 /nfs/dbraw/zinc/92/02/37/1129920237.db2.gz LQOHTADHCLWOGH-UHFFFAOYSA-N -1 1 334.397 3.827 20 5 EHBDMM CCc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)s1 ZINC000788218031 1134096974 /nfs/dbraw/zinc/09/69/74/1134096974.db2.gz XWQFHFNMGPBBSM-UHFFFAOYSA-N -1 1 346.817 3.673 20 5 EHBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000338196230 1138783301 /nfs/dbraw/zinc/78/33/01/1138783301.db2.gz NOKBSUOHIPIUID-KBXCAEBGSA-N -1 1 342.395 3.558 20 5 EHBDMM C[C@H](C(=O)[O-])[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000826055294 601655788 /nfs/dbraw/zinc/65/57/88/601655788.db2.gz XWILYGDSUCAWDY-ZBEGNZNMSA-N -1 1 348.786 3.800 20 5 EHBDMM CC(C)(C(=O)[O-])[C@@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000833414968 605181213 /nfs/dbraw/zinc/18/12/13/605181213.db2.gz QEVOYVLPDCSDMM-AWEZNQCLSA-N -1 1 334.397 3.598 20 5 EHBDMM CN(CCc1ccccc1[N+](=O)[O-])Cc1c(Cl)cccc1C(=O)[O-] ZINC001598501732 992444307 /nfs/dbraw/zinc/44/43/07/992444307.db2.gz CGUFLYKNCNMBJX-UHFFFAOYSA-N -1 1 348.786 3.621 20 5 EHBDMM CC(C)Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000005909281 1016371337 /nfs/dbraw/zinc/37/13/37/1016371337.db2.gz DWWRPWWODLECGV-UHFFFAOYSA-N -1 1 340.792 3.551 20 5 EHBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cc(F)cc2F)c1 ZINC000072506100 1016500872 /nfs/dbraw/zinc/50/08/72/1016500872.db2.gz UGTOHIUGEVHCHM-UHFFFAOYSA-N -1 1 342.298 3.986 20 5 EHBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000340330686 1016953610 /nfs/dbraw/zinc/95/36/10/1016953610.db2.gz LNVPABCCRZUHQI-SECBINFHSA-N -1 1 336.344 3.559 20 5 EHBDMM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc([O-])c(Cl)c1 ZINC000182863623 1019776807 /nfs/dbraw/zinc/77/68/07/1019776807.db2.gz MWOYYKIRMSDWMT-UHFFFAOYSA-N -1 1 341.150 3.788 20 5 EHBDMM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc([O-])c(Cl)c1 ZINC000129580328 1024237232 /nfs/dbraw/zinc/23/72/32/1024237232.db2.gz RDIBAWDBWMYCBG-UHFFFAOYSA-N -1 1 349.774 3.785 20 5 EHBDMM CCCc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000014256184 1024872130 /nfs/dbraw/zinc/87/21/30/1024872130.db2.gz SEMPFRZFFZGBCR-UHFFFAOYSA-N -1 1 334.397 3.657 20 5 EHBDMM CCCc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000521415418 1025377404 /nfs/dbraw/zinc/37/74/04/1025377404.db2.gz ZJTPCALMAOEROH-UHFFFAOYSA-N -1 1 348.424 3.911 20 5 EHBDMM O=C(Nc1ccc(Cl)cc1[O-])c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000339007958 1026342407 /nfs/dbraw/zinc/34/24/07/1026342407.db2.gz XVYSNRMBYGZUNL-UHFFFAOYSA-N -1 1 331.715 3.687 20 5 EHBDMM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cc(-c2cccc(F)c2)no1 ZINC000520144426 1026911055 /nfs/dbraw/zinc/91/10/55/1026911055.db2.gz GYKLXPDJYHMRTK-UHFFFAOYSA-N -1 1 345.261 3.780 20 5 EHBDMM COc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1[N+](=O)[O-] ZINC000445442996 1028800361 /nfs/dbraw/zinc/80/03/61/1028800361.db2.gz FDEPVBVEFNDYIJ-UHFFFAOYSA-N -1 1 347.714 3.679 20 5 EHBDMM COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Cl)c1[O-] ZINC000344930662 1044705433 /nfs/dbraw/zinc/70/54/33/1044705433.db2.gz PFFJSIFIDGGHCQ-UHFFFAOYSA-N -1 1 336.731 3.523 20 5 EHBDMM CCOc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1[N+](=O)[O-] ZINC000445464839 1128656850 /nfs/dbraw/zinc/65/68/50/1128656850.db2.gz PAHWRWGRVXTIIO-UHFFFAOYSA-N -1 1 345.286 3.555 20 5 EHBDMM CCOc1c(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000466313419 1129377330 /nfs/dbraw/zinc/37/73/30/1129377330.db2.gz WMFXYJCWEOMCFT-UHFFFAOYSA-N -1 1 344.154 3.881 20 5 EHBDMM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)S1 ZINC000810192288 1135936630 /nfs/dbraw/zinc/93/66/30/1135936630.db2.gz FYTLZUYOLANEHB-GHXNOFRVSA-N -1 1 332.362 3.647 20 5 EHBDMM COc1ccc([C@H](NCc2cc([O-])ccc2[N+](=O)[O-])C2CC2)cc1 ZINC000339074617 1137354723 /nfs/dbraw/zinc/35/47/23/1137354723.db2.gz HWSCUZIRHYZHJC-GOSISDBHSA-N -1 1 328.368 3.550 20 5 EHBDMM CCc1noc(C)c1[N-]C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000339176575 1141518687 /nfs/dbraw/zinc/51/86/87/1141518687.db2.gz SMKYNCRJPPRLSG-UHFFFAOYSA-N -1 1 343.261 3.725 20 5 EHBDMM CC(C)(C)c1cc2c([n-]c(-c3ccc([N+](=O)[O-])s3)nc2=O)s1 ZINC000165079073 1015709885 /nfs/dbraw/zinc/70/98/85/1015709885.db2.gz JASLOMPDLIJKNQ-UHFFFAOYSA-N -1 1 335.410 3.919 20 5 EHBDMM C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000449362666 1032498423 /nfs/dbraw/zinc/49/84/23/1032498423.db2.gz LPMGJTLEQBOFRO-HBNTYKKESA-N -1 1 332.322 3.852 20 5 EHBDMM Cc1ccc(-c2ocnc2C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000172688058 1032855718 /nfs/dbraw/zinc/85/57/18/1032855718.db2.gz WWLMRFZRFPMBDJ-UHFFFAOYSA-N -1 1 341.298 3.950 20 5 EHBDMM COc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436870614 1021311239 /nfs/dbraw/zinc/31/12/39/1021311239.db2.gz QNGVSJRQSJNLOG-UHFFFAOYSA-N -1 1 347.714 3.679 20 5 EHBDMM COc1cccc([C@@H]2C[C@@H](C)CN2Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000518991403 1021759319 /nfs/dbraw/zinc/75/93/19/1021759319.db2.gz JGCQMTMRXJTXEI-YJYMSZOUSA-N -1 1 342.395 3.892 20 5 EHBDMM CCc1ccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)cc1 ZINC000473777332 1022736279 /nfs/dbraw/zinc/73/62/79/1022736279.db2.gz QDNWMDONCPIPOF-UHFFFAOYSA-N -1 1 334.397 3.575 20 5 EHBDMM CC(C)c1ccc(CN[C@@H](C(=O)[O-])c2ccsc2)cc1[N+](=O)[O-] ZINC000426837069 1023073938 /nfs/dbraw/zinc/07/39/38/1023073938.db2.gz WHHQSAUOTSMRNJ-OAHLLOKOSA-N -1 1 334.397 3.695 20 5 EHBDMM CCCC[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000262709852 1024447081 /nfs/dbraw/zinc/44/70/81/1024447081.db2.gz OYFIZNCGSGUFOP-HNNXBMFYSA-N -1 1 332.356 3.588 20 5 EHBDMM Cc1cc(C)c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c(C)c1 ZINC000539105965 1024776121 /nfs/dbraw/zinc/77/61/21/1024776121.db2.gz VYSYDWZXCMBEIU-UHFFFAOYSA-N -1 1 348.424 3.938 20 5 EHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000014256045 1024872187 /nfs/dbraw/zinc/87/21/87/1024872187.db2.gz PJUMAIWMTMKVMK-UHFFFAOYSA-N -1 1 348.424 3.903 20 5 EHBDMM C=Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000436475554 1025768722 /nfs/dbraw/zinc/76/87/22/1025768722.db2.gz CEQQQPCVWACYQA-UHFFFAOYSA-N -1 1 332.381 3.655 20 5 EHBDMM O=c1cc(C(F)F)nc(SCc2c(Cl)cccc2[N+](=O)[O-])[n-]1 ZINC000582294226 1025782193 /nfs/dbraw/zinc/78/21/93/1025782193.db2.gz WMHQXXLXWOPINK-UHFFFAOYSA-N -1 1 347.730 3.974 20 5 EHBDMM Cc1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc([N+](=O)[O-])c1 ZINC000445442602 1028798529 /nfs/dbraw/zinc/79/85/29/1028798529.db2.gz DBUJULCWXPJLSW-UHFFFAOYSA-N -1 1 331.715 3.979 20 5 EHBDMM CSc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1[N+](=O)[O-] ZINC000445457616 1028825874 /nfs/dbraw/zinc/82/58/74/1028825874.db2.gz TXLPNIUPNQQIEL-UHFFFAOYSA-N -1 1 347.327 3.878 20 5 EHBDMM O=[N+]([O-])c1ccc(/C=C/c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445461757 1028831657 /nfs/dbraw/zinc/83/16/57/1028831657.db2.gz IHQWQWHRIGPWBJ-FPYGCLRLSA-N -1 1 327.271 3.660 20 5 EHBDMM Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445446953 1033926033 /nfs/dbraw/zinc/92/60/33/1033926033.db2.gz GHUQJYOKHYDQHG-UHFFFAOYSA-N -1 1 331.715 3.979 20 5 EHBDMM CC(C)c1nc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)cs1 ZINC000171426987 1034385233 /nfs/dbraw/zinc/38/52/33/1034385233.db2.gz LPBHKZGTAAQVIY-UHFFFAOYSA-N -1 1 327.312 3.705 20 5 EHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000450963561 1034991169 /nfs/dbraw/zinc/99/11/69/1034991169.db2.gz YDMSETFRYVZALY-UHFFFAOYSA-N -1 1 332.381 3.581 20 5 EHBDMM CCc1ccccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C ZINC000488248624 1039002380 /nfs/dbraw/zinc/00/23/80/1039002380.db2.gz MVLDHLDLLGWPJI-UHFFFAOYSA-N -1 1 334.397 3.575 20 5 EHBDMM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc2ccccc2cc1[O-] ZINC000193224651 1120991573 /nfs/dbraw/zinc/99/15/73/1120991573.db2.gz YBRXBYSGWWAQGN-UHFFFAOYSA-N -1 1 336.347 3.726 20 5 EHBDMM O=C(c1ccc2ccccc2c1[O-])N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000129760029 1122845219 /nfs/dbraw/zinc/84/52/19/1122845219.db2.gz VZEZRFHOLUKBNB-UHFFFAOYSA-N -1 1 348.358 3.652 20 5 EHBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(c2ccc(F)cc2)CC1 ZINC000769390545 1133275564 /nfs/dbraw/zinc/27/55/64/1133275564.db2.gz XXMMJNZNICAMCT-UHFFFAOYSA-N -1 1 330.359 3.819 20 5 EHBDMM CC(C)(C)CCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001186752780 1134252272 /nfs/dbraw/zinc/25/22/72/1134252272.db2.gz XVFDEMWTMDMODS-UHFFFAOYSA-N -1 1 348.852 3.743 20 5 EHBDMM Cc1nc(CC(C)C)oc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000789614189 1134301674 /nfs/dbraw/zinc/30/16/74/1134301674.db2.gz NQOZJHICTPOEBY-UHFFFAOYSA-N -1 1 339.298 3.620 20 5 EHBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc(-c2ccc(F)cc2)on1 ZINC000128106585 1137763007 /nfs/dbraw/zinc/76/30/07/1137763007.db2.gz BOJLRECLZIRDRA-UHFFFAOYSA-N -1 1 345.261 3.780 20 5 EHBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1occc1Br ZINC000800147781 1137899587 /nfs/dbraw/zinc/89/95/87/1137899587.db2.gz AQLFTRVIJLZJKB-UHFFFAOYSA-N -1 1 343.108 3.650 20 5 EHBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cnc(CC2CC2)s1 ZINC000887877908 1138966723 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EHBDMM O=C(c1ccc2ccccc2c1[O-])N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088251911 1027396424 /nfs/dbraw/zinc/39/64/24/1027396424.db2.gz SQBSBBKKOPBMNM-UHFFFAOYSA-N -1 1 348.358 3.652 20 5 EHBDMM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ocnc1C(F)F ZINC000599990716 1034283640 /nfs/dbraw/zinc/28/36/40/1034283640.db2.gz FMKSANTYADDDSU-UHFFFAOYSA-N -1 1 340.286 3.593 20 5 EHBDMM COc1ccc(N(CCC(C)C)C(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000477894477 1039021948 /nfs/dbraw/zinc/02/19/48/1039021948.db2.gz JWGWURWIDYOKID-UHFFFAOYSA-N -1 1 331.372 3.624 20 5 EHBDMM Cc1csc(Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)n1 ZINC000347521434 1128034475 /nfs/dbraw/zinc/03/44/75/1128034475.db2.gz BBDDOBKBMBOGSI-UHFFFAOYSA-N -1 1 343.368 3.684 20 5 EHBDMM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000765860394 1128624024 /nfs/dbraw/zinc/62/40/24/1128624024.db2.gz QKQHITMTOZFVBB-UHFFFAOYSA-N -1 1 343.122 3.565 20 5 EHBDMM O=C(Nc1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC001168683147 1128816326 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ZINC000216471898 1042331954 /nfs/dbraw/zinc/33/19/54/1042331954.db2.gz QINGZELKOHJHCY-UHFFFAOYSA-N -1 1 334.397 3.575 20 5 EHBDMM CCCCc1nnc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000070755531 1125373305 /nfs/dbraw/zinc/37/33/05/1125373305.db2.gz DKEHOWSEBYGVKN-UHFFFAOYSA-N -1 1 340.792 3.695 20 5 EHBDMM CC(C)CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001187791456 1134388113 /nfs/dbraw/zinc/38/81/13/1134388113.db2.gz QQWVLJAVPMHVTR-UHFFFAOYSA-N -1 1 348.852 3.599 20 5 EHBDMM COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000190905046 1032409660 /nfs/dbraw/zinc/40/96/60/1032409660.db2.gz UGLQERQJLMQXKU-UHFFFAOYSA-N -1 1 337.719 3.606 20 5 EHBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(O)c(Cl)c1 ZINC000186041083 1026170715 /nfs/dbraw/zinc/17/07/15/1026170715.db2.gz KYFPMFNBAFHRSX-UHFFFAOYSA-N -1 1 343.122 3.565 20 5 EHBDMM O=[N+]([O-])c1ccc(/C=C/c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445478571 1028838381 /nfs/dbraw/zinc/83/83/81/1028838381.db2.gz HJCUIZIKNKJGLN-FPYGCLRLSA-N -1 1 327.271 3.660 20 5 EHBDMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000186728994 1028946110 /nfs/dbraw/zinc/94/61/10/1028946110.db2.gz AVEKRQIKUIGPKJ-UHFFFAOYSA-N -1 1 329.337 3.872 20 5 EHBDMM Cc1c(Br)cccc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000485877948 1039656884 /nfs/dbraw/zinc/65/68/84/1039656884.db2.gz ZTEYWIQQXAUYKD-UHFFFAOYSA-N -1 1 349.144 3.711 20 5 EHBDMM Cc1cc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)ccc1[N+](=O)[O-] ZINC000092687631 1042309560 /nfs/dbraw/zinc/30/95/60/1042309560.db2.gz PBJQPGSUIAWCHY-UHFFFAOYSA-N -1 1 340.379 3.708 20 5 EHBDMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000032585725 1127853010 /nfs/dbraw/zinc/85/30/10/1127853010.db2.gz FPMIVXJCXQEVPI-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM O=C(Nc1nc(/C=C/c2ccccc2)cs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000609763648 1123663100 /nfs/dbraw/zinc/66/31/00/1123663100.db2.gz GMNNTXKGBFCSLZ-VOTSOKGWSA-N -1 1 340.364 3.802 20 5 EHBDMM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1cc(-c2ccccc2)no1 ZINC000347959666 1131105906 /nfs/dbraw/zinc/10/59/06/1131105906.db2.gz NBHDAWIXBIDGHR-UHFFFAOYSA-N -1 1 327.271 3.641 20 5 EHBDMM CC[C@@H](NCc1ccc(C(=O)[O-])cc1F)c1cccc([N+](=O)[O-])c1 ZINC000833645867 605174267 /nfs/dbraw/zinc/17/42/67/605174267.db2.gz ZDBMTAIZSBKLFM-MRXNPFEDSA-N -1 1 332.331 3.673 20 5 EHBDMM CC[C@@H](NCc1cc(C(=O)[O-])ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000833643664 605844099 /nfs/dbraw/zinc/84/40/99/605844099.db2.gz DFAIXMHAQPZTDU-MRXNPFEDSA-N -1 1 332.331 3.673 20 5 EHBDMM CC(C)(C(=O)[O-])[C@H](NCc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001589601557 987427608 /nfs/dbraw/zinc/42/76/08/987427608.db2.gz NKUAUXJQJJLNLA-MRXNPFEDSA-N -1 1 346.358 3.676 20 5 EHBDMM CSc1ccccc1[C@H](C)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599825763 988595672 /nfs/dbraw/zinc/59/56/72/988595672.db2.gz PCJAYBAANDOIGJ-NSHDSACASA-N -1 1 346.408 3.866 20 5 EHBDMM CCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000015243679 1019935541 /nfs/dbraw/zinc/93/55/41/1019935541.db2.gz HYHDTXNIOSTJJA-UHFFFAOYSA-N -1 1 334.397 3.575 20 5 EHBDMM CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](CC)c1ccccc1 ZINC000445190696 1028601131 /nfs/dbraw/zinc/60/11/31/1028601131.db2.gz KQXDNVUAJQINFE-HNNXBMFYSA-N -1 1 343.383 3.699 20 5 EHBDMM Cc1ccc(C)c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000481953595 1030132677 /nfs/dbraw/zinc/13/26/77/1030132677.db2.gz XXXQEXXYBZGVKG-UHFFFAOYSA-N -1 1 334.397 3.629 20 5 EHBDMM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000161064552 1031278918 /nfs/dbraw/zinc/27/89/18/1031278918.db2.gz LFCQDNXQPNPEDR-UHFFFAOYSA-N -1 1 340.788 3.666 20 5 EHBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1Cl ZINC000007428289 1038844789 /nfs/dbraw/zinc/84/47/89/1038844789.db2.gz MEDYDCRCABLKDK-UHFFFAOYSA-N -1 1 347.179 3.702 20 5 EHBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154022738 1122177863 /nfs/dbraw/zinc/17/78/63/1122177863.db2.gz VDLPUIZVQJPEIL-UHFFFAOYSA-N -1 1 343.726 3.754 20 5 EHBDMM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1OC1CCCC1 ZINC000918048510 1122739738 /nfs/dbraw/zinc/73/97/38/1122739738.db2.gz YXBJULJZKNZUOZ-UHFFFAOYSA-N -1 1 345.355 3.505 20 5 EHBDMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000078383572 1129137924 /nfs/dbraw/zinc/13/79/24/1129137924.db2.gz MQQUTLFCGAEGKO-UHFFFAOYSA-N -1 1 334.397 3.629 20 5 EHBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1csc(-c2ccoc2)n1 ZINC000730958390 1130755095 /nfs/dbraw/zinc/75/50/95/1130755095.db2.gz RFRKLTWFZMJOTA-UHFFFAOYSA-N -1 1 333.300 3.703 20 5 EHBDMM COc1ccc(-c2nnsc2[N-]c2ccc([N+](=O)[O-])cc2)cc1 ZINC001174477078 1132380807 /nfs/dbraw/zinc/38/08/07/1132380807.db2.gz KRBOLGIZPXSLIB-UHFFFAOYSA-N -1 1 328.353 3.866 20 5 EHBDMM O=[N+]([O-])c1cc(O)cc(Nc2cc(Br)cc(F)c2[O-])c1 ZINC001201229455 1135997132 /nfs/dbraw/zinc/99/71/32/1135997132.db2.gz NVFGSQOJYZQXDB-UHFFFAOYSA-N -1 1 343.108 3.651 20 5 EHBDMM CSc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000111666653 1136570130 /nfs/dbraw/zinc/57/01/30/1136570130.db2.gz NKJSGRCHSOBJOR-UHFFFAOYSA-N -1 1 338.772 3.928 20 5 EHBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000339125827 1141504069 /nfs/dbraw/zinc/50/40/69/1141504069.db2.gz YEZBELUWKXEAKN-DOTOQJQBSA-N -1 1 348.786 3.574 20 5 EHBDMM Cc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)cc1[N+](=O)[O-] ZINC000832920877 601370320 /nfs/dbraw/zinc/37/03/20/601370320.db2.gz JEXIUEMATMEXDE-BDJLRTHQSA-N -1 1 332.331 3.519 20 5 EHBDMM