smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000519544902 531214065 /nfs/dbraw/zinc/21/40/65/531214065.db2.gz MQUXOTVEXMFPSQ-ZETCQYMHSA-N -2 3 386.304 1.539 20 5 GDBDHL CCOC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000290752900 531253952 /nfs/dbraw/zinc/25/39/52/531253952.db2.gz YMMVIXWWJWJUOG-VIFPVBQESA-N -2 3 386.304 1.382 20 5 GDBDHL COc1c(F)cc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)[O-])cc1[N+](=O)[O-] ZINC000277189073 531263702 /nfs/dbraw/zinc/26/37/02/531263702.db2.gz DABLJONLFJDNRO-VIFPVBQESA-N -2 3 382.391 1.227 20 5 GDBDHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-] ZINC000526061002 531305286 /nfs/dbraw/zinc/30/52/86/531305286.db2.gz VJVSNZVNVFGUAY-VIFPVBQESA-N -2 3 377.425 1.834 20 5 GDBDHL O=C([O-])CSCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000583250633 531568573 /nfs/dbraw/zinc/56/85/73/531568573.db2.gz VLILYGSKNRGODL-UHFFFAOYSA-N -2 3 388.345 1.710 20 5 GDBDHL O=C([O-])C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000282625910 531777723 /nfs/dbraw/zinc/77/77/23/531777723.db2.gz BRROIUYHDFJSCN-UHFFFAOYSA-N -2 3 379.188 1.643 20 5 GDBDHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000275064051 532259548 /nfs/dbraw/zinc/25/95/48/532259548.db2.gz VDOIBKQQRWWAEV-ZETCQYMHSA-N -2 3 381.204 1.889 20 5 GDBDHL O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1F ZINC000738361216 598842449 /nfs/dbraw/zinc/84/24/49/598842449.db2.gz WQZLHIODECTWFG-UHFFFAOYSA-N -2 3 382.308 1.854 20 5 GDBDHL O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC000738361216 598842451 /nfs/dbraw/zinc/84/24/51/598842451.db2.gz WQZLHIODECTWFG-UHFFFAOYSA-N -2 3 382.308 1.854 20 5 GDBDHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(C)c1 ZINC000737106374 599042074 /nfs/dbraw/zinc/04/20/74/599042074.db2.gz RSKCXXQRWPYRAG-UHFFFAOYSA-N -2 3 390.381 1.893 20 5 GDBDHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(C)c1 ZINC000737106374 599042077 /nfs/dbraw/zinc/04/20/77/599042077.db2.gz RSKCXXQRWPYRAG-UHFFFAOYSA-N -2 3 390.381 1.893 20 5 GDBDHL Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000737282215 599157024 /nfs/dbraw/zinc/15/70/24/599157024.db2.gz CCBOYYNILCNBTE-UHFFFAOYSA-N -2 3 388.365 1.202 20 5 GDBDHL Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000737282215 599157027 /nfs/dbraw/zinc/15/70/27/599157027.db2.gz CCBOYYNILCNBTE-UHFFFAOYSA-N -2 3 388.365 1.202 20 5 GDBDHL O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1sccc1-c1nnn[n-]1 ZINC000823284405 607322902 /nfs/dbraw/zinc/32/29/02/607322902.db2.gz GPMMWRUDUVKIFX-UHFFFAOYSA-N -2 3 398.357 1.094 20 5 GDBDHL O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1sccc1-c1nn[n-]n1 ZINC000823284405 607322903 /nfs/dbraw/zinc/32/29/03/607322903.db2.gz GPMMWRUDUVKIFX-UHFFFAOYSA-N -2 3 398.357 1.094 20 5 GDBDHL O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000823646100 599695603 /nfs/dbraw/zinc/69/56/03/599695603.db2.gz ZWVHVDSFJIZYCG-UHFFFAOYSA-N -2 3 396.772 1.935 20 5 GDBDHL O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000823646100 599695604 /nfs/dbraw/zinc/69/56/04/599695604.db2.gz ZWVHVDSFJIZYCG-UHFFFAOYSA-N -2 3 396.772 1.935 20 5 GDBDHL O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000370273112 606202742 /nfs/dbraw/zinc/20/27/42/606202742.db2.gz QKVZKEANEOWCSN-UHFFFAOYSA-N -3 3 390.337 1.274 20 5 GDBDHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000819971533 606605909 /nfs/dbraw/zinc/60/59/09/606605909.db2.gz NUVVUEXGZWZGLR-UHFFFAOYSA-N -2 3 392.401 1.527 20 5 GDBDHL CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825777374 607847364 /nfs/dbraw/zinc/84/73/64/607847364.db2.gz UIJGIEJCKVDNFA-UHFFFAOYSA-N -2 3 379.358 1.435 20 5 GDBDHL CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825777374 607847365 /nfs/dbraw/zinc/84/73/65/607847365.db2.gz UIJGIEJCKVDNFA-UHFFFAOYSA-N -2 3 379.358 1.435 20 5 GDBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F ZINC000585819450 652089709 /nfs/dbraw/zinc/08/97/09/652089709.db2.gz CYRABLWIHGQKTE-ZETCQYMHSA-N -2 3 386.304 1.535 20 5 GDBDHL C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H](C)C(=O)[O-] ZINC000837292003 655175801 /nfs/dbraw/zinc/17/58/01/655175801.db2.gz KMWXJQSBKDFOKC-RNFRBKRXSA-N -2 3 381.204 1.745 20 5 GDBDHL CC(C)(C)C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000821259352 655425344 /nfs/dbraw/zinc/42/53/44/655425344.db2.gz IHSRTCNFELILQB-JQWIXIFHSA-N -2 3 378.378 1.263 20 5 GDBDHL COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826211490 947618325 /nfs/dbraw/zinc/61/83/25/947618325.db2.gz HCYYJADVFTUZDB-UHFFFAOYSA-N -2 3 390.381 1.893 20 5 GDBDHL C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])c1ccccc1F ZINC001593431235 995249749 /nfs/dbraw/zinc/24/97/49/995249749.db2.gz DGVYYTKOVRCJEX-VFZGTOFNSA-N -2 3 398.368 1.833 20 5 GDBDHL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000548237878 531506696 /nfs/dbraw/zinc/50/66/96/531506696.db2.gz AOYKGXRBXGVXLB-HTQZYQBOSA-N -2 3 391.199 1.665 20 5 GDBDHL COC1(C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C(=O)[O-])CCC1 ZINC000593279039 531826738 /nfs/dbraw/zinc/82/67/38/531826738.db2.gz ZSUCHTYDEXEJER-NSHDSACASA-N -2 3 392.817 1.939 20 5 GDBDHL C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H](C)C(=O)[O-] ZINC000581473030 532083913 /nfs/dbraw/zinc/08/39/13/532083913.db2.gz WNWXFZFUEBFSCM-NKWVEPMBSA-N -2 3 381.204 1.745 20 5 GDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1C ZINC000821845862 607255107 /nfs/dbraw/zinc/25/51/07/607255107.db2.gz KOBNAQPCWHTRPR-UHFFFAOYSA-N -2 3 390.381 1.893 20 5 GDBDHL O=C(OCCOc1c(-c2nnn[n-]2)cnc2ccccc21)c1ccc([N+](=O)[O-])[n-]1 ZINC000738225266 598309712 /nfs/dbraw/zinc/30/97/12/598309712.db2.gz ZZNCIOFGVZUSOT-UHFFFAOYSA-N -2 3 395.335 1.887 20 5 GDBDHL O=C(OCCOc1c(-c2nn[n-]n2)cnc2ccccc21)c1ccc([N+](=O)[O-])[n-]1 ZINC000738225266 598309714 /nfs/dbraw/zinc/30/97/14/598309714.db2.gz ZZNCIOFGVZUSOT-UHFFFAOYSA-N -2 3 395.335 1.887 20 5 GDBDHL O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738371696 598594671 /nfs/dbraw/zinc/59/46/71/598594671.db2.gz WVHBAULNPJEOLW-UHFFFAOYSA-N -2 3 382.308 1.854 20 5 GDBDHL O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738371696 598594673 /nfs/dbraw/zinc/59/46/73/598594673.db2.gz WVHBAULNPJEOLW-UHFFFAOYSA-N -2 3 382.308 1.854 20 5 GDBDHL O=C([O-])N1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000740510747 601991043 /nfs/dbraw/zinc/99/10/43/601991043.db2.gz CIAIJLUJTGCPTP-SECBINFHSA-N -2 3 377.806 1.917 20 5 GDBDHL O=C([O-])c1cccc(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000580632956 601993721 /nfs/dbraw/zinc/99/37/21/601993721.db2.gz SITRAFDHIPKFDS-UHFFFAOYSA-N -2 3 394.361 1.543 20 5 GDBDHL Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000822212888 606210764 /nfs/dbraw/zinc/21/07/64/606210764.db2.gz LQCMGCLGMXIAOY-UHFFFAOYSA-N -2 3 376.354 1.590 20 5 GDBDHL CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000495397931 648012632 /nfs/dbraw/zinc/01/26/32/648012632.db2.gz YBVBBNRHTIKQJR-UHFFFAOYSA-N -2 3 390.370 1.644 20 5 GDBDHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000776561936 654695462 /nfs/dbraw/zinc/69/54/62/654695462.db2.gz BBYMGPSAZUSRKT-SSDOTTSWSA-N -2 3 381.204 1.889 20 5 GDBDHL CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC001594854107 982120028 /nfs/dbraw/zinc/12/00/28/982120028.db2.gz RTFAAYNXLAVFTF-NSHDSACASA-N -2 3 381.204 1.889 20 5 GDBDHL COc1c(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])cc(Br)c(C)c1[N+](=O)[O-] ZINC000262445065 531120962 /nfs/dbraw/zinc/12/09/62/531120962.db2.gz CGFPYMUZJRBHRU-LURJTMIESA-N -2 3 397.203 1.426 20 5 GDBDHL Cc1nc(C)c(S(=O)(=O)[N-][C@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])s1 ZINC000275372341 532290935 /nfs/dbraw/zinc/29/09/35/532290935.db2.gz YVKUGKDOSSXZGB-GFCCVEGCSA-N -2 3 385.423 1.642 20 5 GDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1 ZINC000537601717 598511357 /nfs/dbraw/zinc/51/13/57/598511357.db2.gz DMBLEVMNLRQKJC-UHFFFAOYSA-N -2 3 376.354 1.584 20 5 GDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000537601717 598511360 /nfs/dbraw/zinc/51/13/60/598511360.db2.gz DMBLEVMNLRQKJC-UHFFFAOYSA-N -2 3 376.354 1.584 20 5 GDBDHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000833169541 601389306 /nfs/dbraw/zinc/38/93/06/601389306.db2.gz UCFZZZUOOXRFCN-SNVBAGLBSA-N -2 3 379.188 1.499 20 5 GDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1C ZINC000822213006 607026037 /nfs/dbraw/zinc/02/60/37/607026037.db2.gz QKYORQRANNIJHS-UHFFFAOYSA-N -2 3 381.399 1.649 20 5 GDBDHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCC1 ZINC000776617619 654700460 /nfs/dbraw/zinc/70/04/60/654700460.db2.gz XJVBMLNKXSXSBW-NSHDSACASA-N -2 3 393.215 1.889 20 5 GDBDHL O=C([O-])CN1CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC001606244033 973523827 /nfs/dbraw/zinc/52/38/27/973523827.db2.gz RMLPMUBOQFIMID-UHFFFAOYSA-N -2 3 395.796 1.215 20 5 GDBDHL O=C([O-])[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000274932876 532243452 /nfs/dbraw/zinc/24/34/52/532243452.db2.gz DNKWPLUDJTWPTF-GFCCVEGCSA-N -2 3 391.833 1.466 20 5 GDBDHL O=C([O-])CSCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000274959076 532247033 /nfs/dbraw/zinc/24/70/33/532247033.db2.gz HMRYAHGIJFSBMI-UHFFFAOYSA-N -2 3 388.345 1.710 20 5 GDBDHL COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737040877 599041807 /nfs/dbraw/zinc/04/18/07/599041807.db2.gz QQBYBHORPPSJFZ-UHFFFAOYSA-N -2 3 390.381 1.893 20 5 GDBDHL COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737040877 599041810 /nfs/dbraw/zinc/04/18/10/599041810.db2.gz QQBYBHORPPSJFZ-UHFFFAOYSA-N -2 3 390.381 1.893 20 5 GDBDHL O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000738361194 599042450 /nfs/dbraw/zinc/04/24/50/599042450.db2.gz WLFSWOUDWZRZKK-UHFFFAOYSA-N -2 3 388.369 1.243 20 5 GDBDHL O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000738361194 599042453 /nfs/dbraw/zinc/04/24/53/599042453.db2.gz WLFSWOUDWZRZKK-UHFFFAOYSA-N -2 3 388.369 1.243 20 5 GDBDHL O=C([O-])NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000832489388 603130598 /nfs/dbraw/zinc/13/05/98/603130598.db2.gz CXGBPQPUKTZUAL-GZMMTYOYSA-N -2 3 377.806 1.963 20 5 GDBDHL 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O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000853069626 655631210 /nfs/dbraw/zinc/63/12/10/655631210.db2.gz QIJSPDCODYQOPF-MRVPVSSYSA-N -2 3 391.199 1.809 20 5 GDBDHL COc1ccc(S(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000285033048 532021927 /nfs/dbraw/zinc/02/19/27/532021927.db2.gz IOCWINVWTUSYQS-JTQLQIEISA-N -2 3 376.387 1.150 20 5 GDBDHL CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000272228960 532086271 /nfs/dbraw/zinc/08/62/71/532086271.db2.gz LRRULVSFYDGSGH-LLVKDONJSA-N -2 3 379.822 1.856 20 5 GDBDHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000274997273 532251316 /nfs/dbraw/zinc/25/13/16/532251316.db2.gz LLJKWQUTVNZGTP-SSDOTTSWSA-N -2 3 381.204 1.889 20 5 GDBDHL Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@](C)(CO)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000275567223 532300193 /nfs/dbraw/zinc/30/01/93/532300193.db2.gz GAXOMTXHDJAGEF-ZDUSSCGKSA-N -2 3 380.806 1.308 20 5 GDBDHL COc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737141595 599039219 /nfs/dbraw/zinc/03/92/19/599039219.db2.gz OLLKKGIQHSTTIT-UHFFFAOYSA-N -2 3 376.354 1.584 20 5 GDBDHL COc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000737141595 599039222 /nfs/dbraw/zinc/03/92/22/599039222.db2.gz OLLKKGIQHSTTIT-UHFFFAOYSA-N -2 3 376.354 1.584 20 5 GDBDHL CCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000736654308 599042101 /nfs/dbraw/zinc/04/21/01/599042101.db2.gz JYCNRNBJLPLONP-UHFFFAOYSA-N -2 3 390.381 1.974 20 5 GDBDHL CCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000736654308 599042103 /nfs/dbraw/zinc/04/21/03/599042103.db2.gz JYCNRNBJLPLONP-UHFFFAOYSA-N -2 3 390.381 1.974 20 5 GDBDHL Cc1cc([N+](=O)[O-])ccc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737282849 598307269 /nfs/dbraw/zinc/30/72/69/598307269.db2.gz JWRBPVMAYBIUBR-UHFFFAOYSA-N -2 3 388.365 1.202 20 5 GDBDHL Cc1cc([N+](=O)[O-])ccc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737282849 598307270 /nfs/dbraw/zinc/30/72/70/598307270.db2.gz JWRBPVMAYBIUBR-UHFFFAOYSA-N -2 3 388.365 1.202 20 5 GDBDHL O=C([O-])N1CC[C@@H](CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000740497186 602456240 /nfs/dbraw/zinc/45/62/40/602456240.db2.gz KWANCJQMUQLDKQ-SECBINFHSA-N -2 3 377.806 1.917 20 5 GDBDHL O=C([O-])N1CC[C@H](CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000740497156 602456361 /nfs/dbraw/zinc/45/63/61/602456361.db2.gz KIZPJAQCOQSAJH-VIFPVBQESA-N -2 3 377.806 1.917 20 5 GDBDHL Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)cc1[N+](=O)[O-] ZINC000822201099 606468961 /nfs/dbraw/zinc/46/89/61/606468961.db2.gz QOFFPEWEMJLQTP-UHFFFAOYSA-N -2 3 395.788 1.933 20 5 GDBDHL Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1[N+](=O)[O-] ZINC000822201099 606468962 /nfs/dbraw/zinc/46/89/62/606468962.db2.gz QOFFPEWEMJLQTP-UHFFFAOYSA-N -2 3 395.788 1.933 20 5 GDBDHL O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000823634828 606887294 /nfs/dbraw/zinc/88/72/94/606887294.db2.gz MTUHNBRWDRRXDV-UHFFFAOYSA-N -2 3 396.335 1.532 20 5 GDBDHL COc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c([N+](=O)[O-])c1 ZINC000821845216 607026112 /nfs/dbraw/zinc/02/61/12/607026112.db2.gz CTPDDXVPFXWWTI-UHFFFAOYSA-N -2 3 383.371 1.041 20 5 GDBDHL CCOc1ncccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000821437134 607153628 /nfs/dbraw/zinc/15/36/28/607153628.db2.gz JPYQOSPNFDDLEY-UHFFFAOYSA-N -2 3 391.369 1.369 20 5 GDBDHL O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826470605 609502383 /nfs/dbraw/zinc/50/23/83/609502383.db2.gz WJXQIECJUDLZKO-INIZCTEOSA-N -2 3 396.363 1.694 20 5 GDBDHL O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826470605 609502385 /nfs/dbraw/zinc/50/23/85/609502385.db2.gz WJXQIECJUDLZKO-INIZCTEOSA-N -2 3 396.363 1.694 20 5 GDBDHL COCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC000776502384 654691716 /nfs/dbraw/zinc/69/17/16/654691716.db2.gz DMLNCRXJZNACHU-VIFPVBQESA-N -2 3 397.203 1.125 20 5 GDBDHL CC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000863409225 655869410 /nfs/dbraw/zinc/86/94/10/655869410.db2.gz XUGGBNRWPYGJMN-QMMMGPOBSA-N -2 3 384.288 1.324 20 5 GDBDHL C[C@](Cc1ccc(F)cc1)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC001592853736 979646839 /nfs/dbraw/zinc/64/68/39/979646839.db2.gz IPISORHENBIYEI-OAHLLOKOSA-N -2 3 383.357 1.493 20 5 GDBDHL COc1c(F)cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])cc1[N+](=O)[O-] ZINC000276764668 531227638 /nfs/dbraw/zinc/22/76/38/531227638.db2.gz ARXZUXYBPLVDBZ-SSDOTTSWSA-N -2 3 390.267 1.426 20 5 GDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCSC[C@H](C)C(=O)[O-])cc1C ZINC000592448530 531788804 /nfs/dbraw/zinc/78/88/04/531788804.db2.gz MCMBTUMWBFWPTB-NSHDSACASA-N -2 3 376.456 1.944 20 5 GDBDHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000282892032 531807346 /nfs/dbraw/zinc/80/73/46/531807346.db2.gz QRBLVUPIJJNVBR-UHFFFAOYSA-N -2 3 379.188 1.643 20 5 GDBDHL O=C([O-])[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOC1 ZINC000368519802 531919827 /nfs/dbraw/zinc/91/98/27/531919827.db2.gz RMFRJVMOBQROCF-LLVKDONJSA-N -2 3 384.288 1.136 20 5 GDBDHL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000274970145 532248313 /nfs/dbraw/zinc/24/83/13/532248313.db2.gz IQLAJFMTZNVQTL-HTQZYQBOSA-N -2 3 380.300 1.921 20 5 GDBDHL O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000738361050 599041324 /nfs/dbraw/zinc/04/13/24/599041324.db2.gz TYVIEKACHDKJDO-UHFFFAOYSA-N -2 3 382.308 1.854 20 5 GDBDHL O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000738361050 599041327 /nfs/dbraw/zinc/04/13/27/599041327.db2.gz TYVIEKACHDKJDO-UHFFFAOYSA-N -2 3 382.308 1.854 20 5 GDBDHL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000737283033 599157119 /nfs/dbraw/zinc/15/71/19/599157119.db2.gz MSTOEJRHSCGRDZ-UHFFFAOYSA-N -2 3 388.365 1.202 20 5 GDBDHL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000737283033 599157123 /nfs/dbraw/zinc/15/71/23/599157123.db2.gz MSTOEJRHSCGRDZ-UHFFFAOYSA-N -2 3 388.365 1.202 20 5 GDBDHL O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000823645906 599695491 /nfs/dbraw/zinc/69/54/91/599695491.db2.gz VOTGNDIIVRSNPZ-UHFFFAOYSA-N -2 3 396.772 1.935 20 5 GDBDHL O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000823645906 599695492 /nfs/dbraw/zinc/69/54/92/599695492.db2.gz VOTGNDIIVRSNPZ-UHFFFAOYSA-N -2 3 396.772 1.935 20 5 GDBDHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000833169540 601389244 /nfs/dbraw/zinc/38/92/44/601389244.db2.gz UCFZZZUOOXRFCN-JTQLQIEISA-N -2 3 379.188 1.499 20 5 GDBDHL O=C([O-])NCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000834238005 605644303 /nfs/dbraw/zinc/64/43/03/605644303.db2.gz TXZAFFZOMAJTCB-UHFFFAOYSA-N -2 3 382.192 1.293 20 5 GDBDHL Cc1cc(Cl)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822200916 606710810 /nfs/dbraw/zinc/71/08/10/606710810.db2.gz IPKLPYARFMEKDG-UHFFFAOYSA-N -2 3 398.792 1.271 20 5 GDBDHL COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826164150 608756945 /nfs/dbraw/zinc/75/69/45/608756945.db2.gz DJTVNJXOAHHWRN-UHFFFAOYSA-N -2 3 391.369 1.117 20 5 GDBDHL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826451807 609262002 /nfs/dbraw/zinc/26/20/02/609262002.db2.gz XDRQMAMGDXDUKB-LBPRGKRZSA-N -2 3 390.743 1.806 20 5 GDBDHL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826451807 609262003 /nfs/dbraw/zinc/26/20/03/609262003.db2.gz XDRQMAMGDXDUKB-LBPRGKRZSA-N -2 3 390.743 1.806 20 5 GDBDHL O=C([O-])[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000548222138 650537410 /nfs/dbraw/zinc/53/74/10/650537410.db2.gz KCAPDSQTCPMHAS-NSHDSACASA-N -2 3 391.833 1.466 20 5 GDBDHL COC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000576344031 651655442 /nfs/dbraw/zinc/65/54/42/651655442.db2.gz OUXJURCKXRWLRN-NSHDSACASA-N -2 3 386.304 1.382 20 5 GDBDHL C[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000776589440 654697785 /nfs/dbraw/zinc/69/77/85/654697785.db2.gz LUMOOXRGKOBFAR-SSDOTTSWSA-N -2 3 381.204 1.746 20 5 GDBDHL O=C([O-])[C@H](CC1CCOCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000776601742 654698693 /nfs/dbraw/zinc/69/86/93/654698693.db2.gz ORRKGECGZRIPJJ-LBPRGKRZSA-N -2 3 376.362 1.282 20 5 GDBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)ccc1Cl ZINC000823634189 655466036 /nfs/dbraw/zinc/46/60/36/655466036.db2.gz CHWKMIBFARMTSR-UHFFFAOYSA-N -2 3 387.790 1.686 20 5 GDBDHL COc1c(F)cc(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000530526101 531397640 /nfs/dbraw/zinc/39/76/40/531397640.db2.gz WPKLCLWDIJNJLX-LLVKDONJSA-N -2 3 376.362 1.664 20 5 GDBDHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000296855773 531732118 /nfs/dbraw/zinc/73/21/18/531732118.db2.gz CUGMIXRVVWKTRV-UHFFFAOYSA-N -2 3 379.188 1.500 20 5 GDBDHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000593273330 531825193 /nfs/dbraw/zinc/82/51/93/531825193.db2.gz HVIPTOPSONGTAB-ZETCQYMHSA-N -2 3 393.215 1.889 20 5 GDBDHL COC1(C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C(=O)[O-])CCC1 ZINC000593277870 531826792 /nfs/dbraw/zinc/82/67/92/531826792.db2.gz MABLVQVDQWLLGG-SECBINFHSA-N -2 3 378.428 1.655 20 5 GDBDHL O=C([O-])[C@H]1C=C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000581238367 532077826 /nfs/dbraw/zinc/07/78/26/532077826.db2.gz YJJASZLIDHSQAS-IONNQARKSA-N -2 3 380.300 1.921 20 5 GDBDHL 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O=C([O-])c1cccc(S(=O)(=O)[N-]CC2(CF)CCOCC2)c1[N+](=O)[O-] ZINC000583326118 531571597 /nfs/dbraw/zinc/57/15/97/531571597.db2.gz LYSXWXBFKYHRJI-UHFFFAOYSA-N -2 3 376.362 1.338 20 5 GDBDHL Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000275051122 532258313 /nfs/dbraw/zinc/25/83/13/532258313.db2.gz XBVHAQITCPECQR-SSDOTTSWSA-N -3 3 380.762 1.010 20 5 GDBDHL COCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(=O)[O-] ZINC000275116030 532266998 /nfs/dbraw/zinc/26/69/98/532266998.db2.gz SMNFNLVIAIISSE-VIFPVBQESA-N -2 3 397.203 1.125 20 5 GDBDHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC000760099294 597146248 /nfs/dbraw/zinc/14/62/48/597146248.db2.gz GBFZRWWOYLYSQI-SNVBAGLBSA-N -2 3 381.204 1.745 20 5 GDBDHL O=C([O-])NCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000832621338 603113811 /nfs/dbraw/zinc/11/38/11/603113811.db2.gz NUPIFNSAQWOYLC-UHFFFAOYSA-N -2 3 382.192 1.293 20 5 GDBDHL 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O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826474567 608083708 /nfs/dbraw/zinc/08/37/08/608083708.db2.gz VWDFJAXLSWCSGN-HNNXBMFYSA-N -2 3 396.363 1.694 20 5 GDBDHL CO[C@@H](C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-])C1CC1 ZINC000594572983 652316651 /nfs/dbraw/zinc/31/66/51/652316651.db2.gz GGOMIOKJPYJUFI-RYUDHWBXSA-N -2 3 392.817 1.795 20 5 GDBDHL C[C@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC000776589515 654697801 /nfs/dbraw/zinc/69/78/01/654697801.db2.gz MZSLPGMCPMRBLV-SSDOTTSWSA-N -2 3 381.204 1.746 20 5 GDBDHL CC(C)(C)OC(=O)[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC12CC(C(=O)[O-])C2 ZINC001589866937 988477527 /nfs/dbraw/zinc/47/75/27/988477527.db2.gz QMEPZZJOAHRJSW-PNSNSFJUSA-N -2 3 393.396 1.954 20 5 GDBDHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000562999025 531797748 /nfs/dbraw/zinc/79/77/48/531797748.db2.gz GBQDPWQTXOBLRK-FKQCQYRASA-N -2 3 379.188 1.499 20 5 GDBDHL 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C[C@@](Cc1ccc(F)cc1)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC001592853735 979646683 /nfs/dbraw/zinc/64/66/83/979646683.db2.gz IPISORHENBIYEI-HNNXBMFYSA-N -2 3 383.357 1.493 20 5 GDBDHL CS(=O)(=O)c1nc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[n-]1 ZINC000439156286 531316003 /nfs/dbraw/zinc/31/60/03/531316003.db2.gz VXWGNRACPFADQA-UHFFFAOYSA-N -2 3 379.276 1.388 20 5 GDBDHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCC1 ZINC000548234429 531507003 /nfs/dbraw/zinc/50/70/03/531507003.db2.gz GIANRLLCAPWXIF-NSHDSACASA-N -2 3 393.215 1.889 20 5 GDBDHL COCc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cs1 ZINC000581916503 531523813 /nfs/dbraw/zinc/52/38/13/531523813.db2.gz CFHOUZZGKATGIA-UHFFFAOYSA-N -2 3 387.395 1.374 20 5 GDBDHL CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(=O)[O-] ZINC000275288316 532283931 /nfs/dbraw/zinc/28/39/31/532283931.db2.gz OZGSHSFEHIHBBQ-UHFFFAOYSA-N -2 3 381.204 1.746 20 5 GDBDHL 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/nfs/dbraw/zinc/69/39/71/654693971.db2.gz YYAJJKWAKZSJHM-LLVKDONJSA-N -2 3 385.785 1.617 20 5 GDBDHL COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)n1 ZINC000783837732 654871097 /nfs/dbraw/zinc/87/10/97/654871097.db2.gz OWKBPDLLOBUHKD-UHFFFAOYSA-N -2 3 387.805 1.969 20 5 GDBDHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000790068092 655040348 /nfs/dbraw/zinc/04/03/48/655040348.db2.gz LTWIAFKSBMBEFU-UHFFFAOYSA-N -2 3 389.367 1.358 20 5 GDBDHL CC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000863411084 655869893 /nfs/dbraw/zinc/86/98/93/655869893.db2.gz TYGUKAZUIDHGRK-SECBINFHSA-N -2 3 395.187 1.068 20 5 GDBDHL O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)ccc1[O-] ZINC000823635309 946460506 /nfs/dbraw/zinc/46/05/06/946460506.db2.gz VGODRGZDJKIUQF-UHFFFAOYSA-N -2 3 396.772 1.935 20 5 GDBDHL O=C([O-])CCCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000274989475 532250903 /nfs/dbraw/zinc/25/09/03/532250903.db2.gz YVEPMPYPGXDWJQ-UHFFFAOYSA-N -2 3 381.204 1.891 20 5 GDBDHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1O ZINC000822151373 599695311 /nfs/dbraw/zinc/69/53/11/599695311.db2.gz AYHIMESWQIAZII-UHFFFAOYSA-N -2 3 376.354 1.590 20 5 GDBDHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1O ZINC000822151373 599695312 /nfs/dbraw/zinc/69/53/12/599695312.db2.gz AYHIMESWQIAZII-UHFFFAOYSA-N -2 3 376.354 1.590 20 5 GDBDHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1F ZINC000831029137 601689259 /nfs/dbraw/zinc/68/92/59/601689259.db2.gz ILNJPBITSUMGAG-UHFFFAOYSA-N -2 3 397.340 1.593 20 5 GDBDHL O=C([O-])NC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000832512831 603137809 /nfs/dbraw/zinc/13/78/09/603137809.db2.gz GYPLKOADUUNEIW-SKDRFNHKSA-N -2 3 375.378 1.839 20 5 GDBDHL O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1-c1nnn[n-]1 ZINC000823647617 607154513 /nfs/dbraw/zinc/15/45/13/607154513.db2.gz NGLYXWMYPUAEOK-UHFFFAOYSA-N -2 3 382.308 1.854 20 5 GDBDHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(O)c1 ZINC000826291660 608885213 /nfs/dbraw/zinc/88/52/13/608885213.db2.gz PSNNCCRIJXHPQL-UHFFFAOYSA-N -2 3 376.354 1.590 20 5 GDBDHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(O)c1 ZINC000826291660 608885216 /nfs/dbraw/zinc/88/52/16/608885216.db2.gz PSNNCCRIJXHPQL-UHFFFAOYSA-N -2 3 376.354 1.590 20 5 GDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F ZINC000556774783 650711247 /nfs/dbraw/zinc/71/12/47/650711247.db2.gz DYSPLKVHFMYXOP-ZETCQYMHSA-N -2 3 386.304 1.535 20 5 GDBDHL C[C@@H](/C=C/C(=O)[O-])[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001592210465 977254717 /nfs/dbraw/zinc/25/47/17/977254717.db2.gz CRICTJONEMSUSD-KNQJERJVSA-N -2 3 379.188 1.665 20 5 GDBDHL CC(C)(C)OC(=O)[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC12CC(C(=O)[O-])C2 ZINC001589866934 988477323 /nfs/dbraw/zinc/47/73/23/988477323.db2.gz QMEPZZJOAHRJSW-ARAINJGVSA-N -2 3 393.396 1.954 20 5 GDBDHL COc1c(F)cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])cc1[N+](=O)[O-] ZINC000276764672 531228069 /nfs/dbraw/zinc/22/80/69/531228069.db2.gz ARXZUXYBPLVDBZ-ZETCQYMHSA-N -2 3 390.267 1.426 20 5 GDBDHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCC1 ZINC000548234428 531506056 /nfs/dbraw/zinc/50/60/56/531506056.db2.gz GIANRLLCAPWXIF-LLVKDONJSA-N -2 3 393.215 1.889 20 5 GDBDHL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000548237888 531506494 /nfs/dbraw/zinc/50/64/94/531506494.db2.gz AOYKGXRBXGVXLB-YUMQZZPRSA-N -2 3 391.199 1.665 20 5 GDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCSC[C@H](C)C(=O)[O-] ZINC000592449033 531789438 /nfs/dbraw/zinc/78/94/38/531789438.db2.gz PCYOZBLYFCTWIA-VIFPVBQESA-N -2 3 378.428 1.336 20 5 GDBDHL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000274970152 532248449 /nfs/dbraw/zinc/24/84/49/532248449.db2.gz IQLAJFMTZNVQTL-YUMQZZPRSA-N -2 3 380.300 1.921 20 5 GDBDHL Cc1cc(Cl)c(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)cc1[N+](=O)[O-] ZINC000275001168 532252079 /nfs/dbraw/zinc/25/20/79/532252079.db2.gz OGBBYMJPTYBBJT-UHFFFAOYSA-N -2 3 392.817 1.716 20 5 GDBDHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000275064049 532259536 /nfs/dbraw/zinc/25/95/36/532259536.db2.gz VDOIBKQQRWWAEV-SSDOTTSWSA-N -2 3 381.204 1.889 20 5 GDBDHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737077036 599039734 /nfs/dbraw/zinc/03/97/34/599039734.db2.gz MCWBCZCOOAYPDN-UHFFFAOYSA-N -2 3 390.381 1.893 20 5 GDBDHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737077036 599039736 /nfs/dbraw/zinc/03/97/36/599039736.db2.gz MCWBCZCOOAYPDN-UHFFFAOYSA-N -2 3 390.381 1.893 20 5 GDBDHL O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000738321713 598379205 /nfs/dbraw/zinc/37/92/05/598379205.db2.gz WXSXZGAPCLOSDC-KPKJPENVSA-N -2 3 378.304 1.825 20 5 GDBDHL O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000738321713 598379207 /nfs/dbraw/zinc/37/92/07/598379207.db2.gz WXSXZGAPCLOSDC-KPKJPENVSA-N -2 3 378.304 1.825 20 5 GDBDHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000776578520 601613215 /nfs/dbraw/zinc/61/32/15/601613215.db2.gz WDEAWAQSAQIIRJ-SNVBAGLBSA-N -2 3 393.215 1.889 20 5 GDBDHL COc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1[N+](=O)[O-] ZINC000821846613 606210578 /nfs/dbraw/zinc/21/05/78/606210578.db2.gz WBWKNHISGJQVID-UHFFFAOYSA-N -2 3 392.353 1.290 20 5 GDBDHL COc1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000370424424 607032333 /nfs/dbraw/zinc/03/23/33/607032333.db2.gz OFXDQYZATPGGGP-UHFFFAOYSA-N -2 3 376.354 1.584 20 5 GDBDHL Cc1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc([N+](=O)[O-])c1F ZINC000826272256 607962589 /nfs/dbraw/zinc/96/25/89/607962589.db2.gz APOQFIRDYONCOH-UHFFFAOYSA-N -2 3 394.344 1.729 20 5 GDBDHL CO[C@H](C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-])C1CC1 ZINC000594574108 652318128 /nfs/dbraw/zinc/31/81/28/652318128.db2.gz VVBWNRGTXVJVPW-CMPLNLGQSA-N -2 3 392.817 1.795 20 5 GDBDHL CC[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC000776536296 654693597 /nfs/dbraw/zinc/69/35/97/654693597.db2.gz HMHLCNQCBXJGJM-ZETCQYMHSA-N -2 3 381.204 1.746 20 5 GDBDHL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C(F)(F)F ZINC000794767384 655153677 /nfs/dbraw/zinc/15/36/77/655153677.db2.gz MLMVZJNRDCPISK-ZCFIWIBFSA-N -2 3 376.334 1.978 20 5 GDBDHL CCn1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(Cl)c2)c([N+](=O)[O-])n1 ZINC000825804517 947336480 /nfs/dbraw/zinc/33/64/80/947336480.db2.gz CFYOMMSSEMRYPW-UHFFFAOYSA-N -2 3 398.792 1.446 20 5 GDBDHL CCn1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)c([N+](=O)[O-])n1 ZINC000825804517 947336493 /nfs/dbraw/zinc/33/64/93/947336493.db2.gz CFYOMMSSEMRYPW-UHFFFAOYSA-N -2 3 398.792 1.446 20 5 GDBDHL Cc1cc(S(=O)(=O)[N-][C@@H](Cc2ccncc2)C(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC001605219864 972968227 /nfs/dbraw/zinc/96/82/27/972968227.db2.gz OYZIBMCDXKEONV-LBPRGKRZSA-N -2 3 383.357 1.412 20 5 GDBDHL COc1cc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)cc([N+](=O)[O-])c1C ZINC000276876925 531236389 /nfs/dbraw/zinc/23/63/89/531236389.db2.gz RAUWCWOBMLGVIO-UHFFFAOYSA-N -2 3 387.399 1.387 20 5 GDBDHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000277976193 531323835 /nfs/dbraw/zinc/32/38/35/531323835.db2.gz IWLNAEKZEFRUQG-JTQLQIEISA-N -2 3 394.789 1.323 20 5 GDBDHL Cc1ccc(C)c(S(=O)(=O)[N-]CCSC[C@@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC000592448846 531788660 /nfs/dbraw/zinc/78/86/60/531788660.db2.gz FAKPSSOZLSZBBD-LLVKDONJSA-N -2 3 376.456 1.944 20 5 GDBDHL COC1(C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])CCC1 ZINC000593274602 531825919 /nfs/dbraw/zinc/82/59/19/531825919.db2.gz AHVQXGYJPPAOMF-NSHDSACASA-N -2 3 376.362 1.425 20 5 GDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)[O-] ZINC000284915836 532005693 /nfs/dbraw/zinc/00/56/93/532005693.db2.gz BNCPPOOZVBUNLL-JTQLQIEISA-N -2 3 376.387 1.150 20 5 GDBDHL CCOc1ncccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736656915 599042271 /nfs/dbraw/zinc/04/22/71/599042271.db2.gz PDTOWIXUJJMHCW-UHFFFAOYSA-N -2 3 391.369 1.369 20 5 GDBDHL CCOc1ncccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736656915 599042274 /nfs/dbraw/zinc/04/22/74/599042274.db2.gz PDTOWIXUJJMHCW-UHFFFAOYSA-N -2 3 391.369 1.369 20 5 GDBDHL O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000738370223 598312852 /nfs/dbraw/zinc/31/28/52/598312852.db2.gz RTTWOSOLFGNXJW-UHFFFAOYSA-N -2 3 396.335 1.532 20 5 GDBDHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000737117453 598593299 /nfs/dbraw/zinc/59/32/99/598593299.db2.gz VHIPVSPQPWCSQI-UHFFFAOYSA-N -2 3 394.344 1.723 20 5 GDBDHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000737117453 598593301 /nfs/dbraw/zinc/59/33/01/598593301.db2.gz VHIPVSPQPWCSQI-UHFFFAOYSA-N -2 3 394.344 1.723 20 5 GDBDHL O=C([O-])CC1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000833205773 601270066 /nfs/dbraw/zinc/27/00/66/601270066.db2.gz JDSKUNRVFWOUGP-UHFFFAOYSA-N -2 3 378.790 1.550 20 5 GDBDHL O=C([O-])N1CCC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000740497388 601987147 /nfs/dbraw/zinc/98/71/47/601987147.db2.gz VXGDYIZUCVCNAM-UHFFFAOYSA-N -2 3 377.806 1.917 20 5 GDBDHL O=C([O-])N1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000740510748 601991520 /nfs/dbraw/zinc/99/15/20/601991520.db2.gz CIAIJLUJTGCPTP-VIFPVBQESA-N -2 3 377.806 1.917 20 5 GDBDHL O=C([O-])NC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000832489391 603130561 /nfs/dbraw/zinc/13/05/61/603130561.db2.gz CXGBPQPUKTZUAL-LDYMZIIASA-N -2 3 377.806 1.963 20 5 GDBDHL CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000821487425 606211689 /nfs/dbraw/zinc/21/16/89/606211689.db2.gz SWPSXADHMRTPKA-UHFFFAOYSA-N -2 3 390.381 1.844 20 5 GDBDHL O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823284337 606463114 /nfs/dbraw/zinc/46/31/14/606463114.db2.gz DTYDHBGQNHFYAR-UHFFFAOYSA-N -2 3 398.357 1.094 20 5 GDBDHL O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823284337 606463116 /nfs/dbraw/zinc/46/31/16/606463116.db2.gz DTYDHBGQNHFYAR-UHFFFAOYSA-N -2 3 398.357 1.094 20 5 GDBDHL O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000823646880 606889488 /nfs/dbraw/zinc/88/94/88/606889488.db2.gz BZYZGAPTMNKXAH-UHFFFAOYSA-N -2 3 396.335 1.532 20 5 GDBDHL O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1-c1nnn[n-]1 ZINC000823648586 607154777 /nfs/dbraw/zinc/15/47/77/607154777.db2.gz XJVGVPZKTAQWLH-UHFFFAOYSA-N -2 3 388.365 1.511 20 5 GDBDHL O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1-c1nn[n-]n1 ZINC000823648586 607154778 /nfs/dbraw/zinc/15/47/78/607154778.db2.gz XJVGVPZKTAQWLH-UHFFFAOYSA-N -2 3 388.365 1.511 20 5 GDBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000826271951 607791833 /nfs/dbraw/zinc/79/18/33/607791833.db2.gz OKCNWBNTWJEUEE-UHFFFAOYSA-N -2 3 390.381 1.614 20 5 GDBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000826271951 607791834 /nfs/dbraw/zinc/79/18/34/607791834.db2.gz OKCNWBNTWJEUEE-UHFFFAOYSA-N -2 3 390.381 1.614 20 5 GDBDHL O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cc(-c2nnn[n-]2)cs1 ZINC000826450239 609404743 /nfs/dbraw/zinc/40/47/43/609404743.db2.gz CIFJPOABOYOSHP-UHFFFAOYSA-N -2 3 398.357 1.094 20 5 GDBDHL O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cc(-c2nn[n-]n2)cs1 ZINC000826450239 609404744 /nfs/dbraw/zinc/40/47/44/609404744.db2.gz CIFJPOABOYOSHP-UHFFFAOYSA-N -2 3 398.357 1.094 20 5 GDBDHL 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Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000826249742 607397539 /nfs/dbraw/zinc/39/75/39/607397539.db2.gz SAFWBRFRQGCKBW-UHFFFAOYSA-N -2 3 388.365 1.202 20 5 GDBDHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)cc1 ZINC000823393303 607154190 /nfs/dbraw/zinc/15/41/90/607154190.db2.gz WPWDRDVHQQILRY-UHFFFAOYSA-N -3 3 390.337 1.274 20 5 GDBDHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cc1 ZINC000823393303 607154191 /nfs/dbraw/zinc/15/41/91/607154191.db2.gz WPWDRDVHQQILRY-UHFFFAOYSA-N -3 3 390.337 1.274 20 5 GDBDHL O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)c1-c1nnn[n-]1 ZINC000823646930 607154494 /nfs/dbraw/zinc/15/44/94/607154494.db2.gz DECMLVNWMDOXDF-UHFFFAOYSA-N -2 3 398.364 1.519 20 5 GDBDHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000826210581 609455217 /nfs/dbraw/zinc/45/52/17/609455217.db2.gz XEEZEIKHZHSERA-UHFFFAOYSA-N -2 3 394.344 1.723 20 5 GDBDHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000826210581 609455218 /nfs/dbraw/zinc/45/52/18/609455218.db2.gz XEEZEIKHZHSERA-UHFFFAOYSA-N -2 3 394.344 1.723 20 5 GDBDHL CCOC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000584577228 652076307 /nfs/dbraw/zinc/07/63/07/652076307.db2.gz YOTYYTHCQCAWNH-MRVPVSSYSA-N -2 3 386.304 1.382 20 5 GDBDHL CO[C@H](C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-])C1CC1 ZINC000594573719 652317286 /nfs/dbraw/zinc/31/72/86/652317286.db2.gz QVZHUXRHGRONKF-NWDGAFQWSA-N -2 3 376.362 1.281 20 5 GDBDHL CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H](O)C(=O)[O-] ZINC001590879612 990793398 /nfs/dbraw/zinc/79/33/98/990793398.db2.gz DACYWPCOQWSGKT-SECBINFHSA-N -2 3 386.304 1.116 20 5 GDBDHL CS(=O)(=O)[N-]c1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1F ZINC000026538453 530585762 /nfs/dbraw/zinc/58/57/62/530585762.db2.gz OJDKNVXVBJSMJG-UHFFFAOYSA-N -2 3 389.386 1.906 20 5 GDBDHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000261692882 531096688 /nfs/dbraw/zinc/09/66/88/531096688.db2.gz NGTVKMCNNCHULP-SNVBAGLBSA-N -2 3 381.204 1.745 20 5 GDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCSC[C@@H](C)C(=O)[O-])cc1C ZINC000592448529 531788417 /nfs/dbraw/zinc/78/84/17/531788417.db2.gz MCMBTUMWBFWPTB-LLVKDONJSA-N -2 3 376.456 1.944 20 5 GDBDHL C[C@@H](CSCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000592447944 531789520 /nfs/dbraw/zinc/78/95/20/531789520.db2.gz IXFWGMVTTBSCLN-QMMMGPOBSA-N -2 3 382.847 1.980 20 5 GDBDHL COCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000275001934 532251975 /nfs/dbraw/zinc/25/19/75/532251975.db2.gz ARKKFTOFPDMAJG-SECBINFHSA-N -2 3 397.203 1.125 20 5 GDBDHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(=O)[O-] ZINC000275044539 532257284 /nfs/dbraw/zinc/25/72/84/532257284.db2.gz RMLLNIJJTPGSRG-SNVBAGLBSA-N -2 3 378.790 1.657 20 5 GDBDHL COCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737022068 599039716 /nfs/dbraw/zinc/03/97/16/599039716.db2.gz KFOZVBXYDGARQH-UHFFFAOYSA-N -2 3 390.381 1.722 20 5 GDBDHL COCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737022068 599039718 /nfs/dbraw/zinc/03/97/18/599039718.db2.gz KFOZVBXYDGARQH-UHFFFAOYSA-N -2 3 390.381 1.722 20 5 GDBDHL CCOC(=O)c1sc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c(C(=O)[O-])c1C ZINC000820373717 598223516 /nfs/dbraw/zinc/22/35/16/598223516.db2.gz FQWCGVWATBCRKS-UHFFFAOYSA-N -2 3 382.354 1.825 20 5 GDBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c(Cl)c1 ZINC000738366084 598638472 /nfs/dbraw/zinc/63/84/72/598638472.db2.gz BNALIRGLZNMGRV-UHFFFAOYSA-N -2 3 381.761 1.624 20 5 GDBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c(Cl)c1 ZINC000738366084 598638473 /nfs/dbraw/zinc/63/84/73/598638473.db2.gz BNALIRGLZNMGRV-UHFFFAOYSA-N -2 3 381.761 1.624 20 5 GDBDHL Cc1cccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000826304082 607535276 /nfs/dbraw/zinc/53/52/76/607535276.db2.gz VIMLRZDEIXIYSQ-UHFFFAOYSA-N -2 3 375.370 1.466 20 5 GDBDHL C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739041012 601991886 /nfs/dbraw/zinc/99/18/86/601991886.db2.gz XXHPGMBZSCOVFK-ZJUUUORDSA-N -2 3 375.378 1.791 20 5 GDBDHL O=C([O-])NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000832482509 603127489 /nfs/dbraw/zinc/12/74/89/603127489.db2.gz ODPGTUVHWVBPKA-WCBMZHEXSA-N -2 3 377.806 1.963 20 5 GDBDHL Cc1cc(F)c(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1[N+](=O)[O-] ZINC000822203165 606211811 /nfs/dbraw/zinc/21/18/11/606211811.db2.gz HRRYCKYKTGCJPV-UHFFFAOYSA-N -2 3 394.344 1.729 20 5 GDBDHL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000822259100 606765401 /nfs/dbraw/zinc/76/54/01/606765401.db2.gz MLKKSYAHSWXONZ-UHFFFAOYSA-N -2 3 376.354 1.590 20 5 GDBDHL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000822259100 606765402 /nfs/dbraw/zinc/76/54/02/606765402.db2.gz MLKKSYAHSWXONZ-UHFFFAOYSA-N -2 3 376.354 1.590 20 5 GDBDHL CCn1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2Cl)c([N+](=O)[O-])n1 ZINC000825804919 607933400 /nfs/dbraw/zinc/93/34/00/607933400.db2.gz KQMLQHRGJYETFV-UHFFFAOYSA-N -2 3 398.792 1.446 20 5 GDBDHL O=C([N-]c1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccc([N+](=O)[O-])cn1 ZINC000826451278 608162362 /nfs/dbraw/zinc/16/23/62/608162362.db2.gz YUZJFPGVUWIFFC-UHFFFAOYSA-N -2 3 390.703 1.984 20 5 GDBDHL O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826470151 609502190 /nfs/dbraw/zinc/50/21/90/609502190.db2.gz FILFAKAWKXAWLP-UHFFFAOYSA-N -2 3 395.379 1.443 20 5 GDBDHL O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826470151 609502192 /nfs/dbraw/zinc/50/21/92/609502192.db2.gz FILFAKAWKXAWLP-UHFFFAOYSA-N -2 3 395.379 1.443 20 5 GDBDHL O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1sccc1-c1nnn[n-]1 ZINC000826415806 609622129 /nfs/dbraw/zinc/62/21/29/609622129.db2.gz TWDFQPPZKZJKCJ-UHFFFAOYSA-N -2 3 390.337 1.338 20 5 GDBDHL C[C@@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC000776589517 654697714 /nfs/dbraw/zinc/69/77/14/654697714.db2.gz MZSLPGMCPMRBLV-ZETCQYMHSA-N -2 3 381.204 1.746 20 5 GDBDHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)c([N+](=O)[O-])c3)ccc21 ZINC000730088301 654924796 /nfs/dbraw/zinc/92/47/96/654924796.db2.gz BJSBMHGHQITKPV-UHFFFAOYSA-N -2 3 381.753 1.933 20 5 GDBDHL C[C@@H](/C=C\C(=O)[O-])[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001592210466 977255323 /nfs/dbraw/zinc/25/53/23/977255323.db2.gz CRICTJONEMSUSD-KVFVURRZSA-N -2 3 379.188 1.665 20 5 GDBDHL O=C([O-])[C@@H]1C=C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000548237887 531506293 /nfs/dbraw/zinc/50/62/93/531506293.db2.gz AOYKGXRBXGVXLB-SFYZADRCSA-N -2 3 391.199 1.665 20 5 GDBDHL COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2C)c([N+](=O)[O-])c1 ZINC000821845174 607255073 /nfs/dbraw/zinc/25/50/73/607255073.db2.gz CEELFOUQUFVNPA-UHFFFAOYSA-N -2 3 390.381 1.893 20 5 GDBDHL COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)c([N+](=O)[O-])c1 ZINC000821845174 607255074 /nfs/dbraw/zinc/25/50/74/607255074.db2.gz CEELFOUQUFVNPA-UHFFFAOYSA-N -2 3 390.381 1.893 20 5 GDBDHL CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736654415 599039452 /nfs/dbraw/zinc/03/94/52/599039452.db2.gz DVZYSHQZMQDEBR-UHFFFAOYSA-N -2 3 390.381 1.974 20 5 GDBDHL CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736654415 599039455 /nfs/dbraw/zinc/03/94/55/599039455.db2.gz DVZYSHQZMQDEBR-UHFFFAOYSA-N -2 3 390.381 1.974 20 5 GDBDHL COc1ccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c(OC)c1C(=O)[O-] ZINC000833734292 604861109 /nfs/dbraw/zinc/86/11/09/604861109.db2.gz TWCAMFLFDNNOKY-UHFFFAOYSA-N -2 3 398.353 1.011 20 5 GDBDHL O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823285496 606467512 /nfs/dbraw/zinc/46/75/12/606467512.db2.gz ULIJFZNJNYSTJS-UHFFFAOYSA-N -2 3 386.396 1.017 20 5 GDBDHL O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823285496 606467513 /nfs/dbraw/zinc/46/75/13/606467513.db2.gz ULIJFZNJNYSTJS-UHFFFAOYSA-N -2 3 386.396 1.017 20 5 GDBDHL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822202274 606981122 /nfs/dbraw/zinc/98/11/22/606981122.db2.gz TZCTZNYMEAXREG-UHFFFAOYSA-N -2 3 395.788 1.933 20 5 GDBDHL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822202274 606981124 /nfs/dbraw/zinc/98/11/24/606981124.db2.gz TZCTZNYMEAXREG-UHFFFAOYSA-N -2 3 395.788 1.933 20 5 GDBDHL O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823493957 607204830 /nfs/dbraw/zinc/20/48/30/607204830.db2.gz XUBSNFYIKIZTJP-UHFFFAOYSA-N -2 3 395.379 1.443 20 5 GDBDHL O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823493957 607204831 /nfs/dbraw/zinc/20/48/31/607204831.db2.gz XUBSNFYIKIZTJP-UHFFFAOYSA-N -2 3 395.379 1.443 20 5 GDBDHL O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826470666 609165303 /nfs/dbraw/zinc/16/53/03/609165303.db2.gz YECXZHXEAQCARO-INIZCTEOSA-N -2 3 396.363 1.694 20 5 GDBDHL C[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000776589441 654697697 /nfs/dbraw/zinc/69/76/97/654697697.db2.gz LUMOOXRGKOBFAR-ZETCQYMHSA-N -2 3 381.204 1.746 20 5 GDBDHL O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(F)cc1-c1nn[n-]n1 ZINC000826500051 948415590 /nfs/dbraw/zinc/41/55/90/948415590.db2.gz JLKZJQVFBZCVLY-UHFFFAOYSA-N -2 3 392.372 1.898 20 5 GDBDHL COc1c(F)cc(S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000262450169 531120837 /nfs/dbraw/zinc/12/08/37/531120837.db2.gz JRSMWGZSZJNFOR-VIFPVBQESA-N -2 3 378.378 1.768 20 5 GDBDHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000548557592 531511665 /nfs/dbraw/zinc/51/16/65/531511665.db2.gz JTSKJUUKZADCKV-SNVBAGLBSA-N -2 3 379.188 1.499 20 5 GDBDHL C[C@H](CSCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000592447943 531788608 /nfs/dbraw/zinc/78/86/08/531788608.db2.gz IXFWGMVTTBSCLN-MRVPVSSYSA-N -2 3 382.847 1.980 20 5 GDBDHL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000275008010 532252431 /nfs/dbraw/zinc/25/24/31/532252431.db2.gz MVRGGKBKDUAPLB-CBAPKCEASA-N -2 3 391.199 1.665 20 5 GDBDHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC000432191886 597514174 /nfs/dbraw/zinc/51/41/74/597514174.db2.gz LFBDCLYINDILOD-UHFFFAOYSA-N -3 3 384.297 1.931 20 5 GDBDHL O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000823285406 607322716 /nfs/dbraw/zinc/32/27/16/607322716.db2.gz SIMZRHKBEVOJLC-UHFFFAOYSA-N -2 3 392.328 1.033 20 5 GDBDHL O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000823285406 607322717 /nfs/dbraw/zinc/32/27/17/607322717.db2.gz SIMZRHKBEVOJLC-UHFFFAOYSA-N -2 3 392.328 1.033 20 5 GDBDHL O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738370592 598594651 /nfs/dbraw/zinc/59/46/51/598594651.db2.gz WFZVGTMTUYVNQC-UHFFFAOYSA-N -2 3 382.308 1.854 20 5 GDBDHL O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738370592 598594653 /nfs/dbraw/zinc/59/46/53/598594653.db2.gz WFZVGTMTUYVNQC-UHFFFAOYSA-N -2 3 382.308 1.854 20 5 GDBDHL O=C([O-])CCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000776445068 600725404 /nfs/dbraw/zinc/72/54/04/600725404.db2.gz IQLWVAAAWFKTGY-UHFFFAOYSA-N -2 3 381.204 1.891 20 5 GDBDHL O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000823635102 606211492 /nfs/dbraw/zinc/21/14/92/606211492.db2.gz RNGAUVDBSJMYMW-UHFFFAOYSA-N -2 3 396.772 1.935 20 5 GDBDHL Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c1C ZINC000822212685 606337315 /nfs/dbraw/zinc/33/73/15/606337315.db2.gz BWFKZOUWECXYKQ-UHFFFAOYSA-N -2 3 390.381 1.898 20 5 GDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000821845800 607026877 /nfs/dbraw/zinc/02/68/77/607026877.db2.gz JJGLGSLTPCGKDR-UHFFFAOYSA-N -2 3 383.371 1.041 20 5 GDBDHL COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000821690589 607192684 /nfs/dbraw/zinc/19/26/84/607192684.db2.gz RAZIANDCYZQUAB-UHFFFAOYSA-N -2 3 398.379 1.769 20 5 GDBDHL COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000821690589 607192685 /nfs/dbraw/zinc/19/26/85/607192685.db2.gz RAZIANDCYZQUAB-UHFFFAOYSA-N -2 3 398.379 1.769 20 5 GDBDHL Cc1c(Cl)cc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000794864937 655155425 /nfs/dbraw/zinc/15/54/25/655155425.db2.gz GXXYKZBDZHPWMZ-UHFFFAOYSA-N -2 3 386.773 1.955 20 5 GDBDHL Cc1[nH]nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1-c1nnn[n-]1 ZINC000826322312 655497462 /nfs/dbraw/zinc/49/74/62/655497462.db2.gz HNRSOXQQMUKWMU-UHFFFAOYSA-N -2 3 384.765 1.261 20 5 GDBDHL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000852732565 955837376 /nfs/dbraw/zinc/83/73/76/955837376.db2.gz FHABAFRYISXOGA-ZYHUDNBSSA-N -3 3 391.302 1.397 20 5 GDBDHL CCOC[C@@H]([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000290960901 531268521 /nfs/dbraw/zinc/26/85/21/531268521.db2.gz NLVHUALRRFDBOZ-SECBINFHSA-N -2 3 397.203 1.125 20 5 GDBDHL COc1c(F)cc(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000566064041 531876765 /nfs/dbraw/zinc/87/67/65/531876765.db2.gz WWJFIIDLELXUJQ-PRHODGIISA-N -2 3 378.378 1.766 20 5 GDBDHL O=C([O-])[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOC1 ZINC000368519803 531920344 /nfs/dbraw/zinc/92/03/44/531920344.db2.gz RMFRJVMOBQROCF-NSHDSACASA-N -2 3 384.288 1.136 20 5 GDBDHL O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000738359770 599040812 /nfs/dbraw/zinc/04/08/12/599040812.db2.gz NLWZHKHCAAXNQR-UHFFFAOYSA-N -2 3 390.337 1.304 20 5 GDBDHL O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000738359770 599040813 /nfs/dbraw/zinc/04/08/13/599040813.db2.gz NLWZHKHCAAXNQR-UHFFFAOYSA-N -2 3 390.337 1.304 20 5 GDBDHL C[C@@](CNC(=O)[O-])([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000738923367 602707368 /nfs/dbraw/zinc/70/73/68/602707368.db2.gz FHFHJSIBDCVWRR-ZDUSSCGKSA-N -2 3 377.806 1.963 20 5 GDBDHL O=C([O-])NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000832489390 603130706 /nfs/dbraw/zinc/13/07/06/603130706.db2.gz CXGBPQPUKTZUAL-KWQFWETISA-N -2 3 377.806 1.963 20 5 GDBDHL O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826473577 608086423 /nfs/dbraw/zinc/08/64/23/608086423.db2.gz DHVTUGWUXFWRLI-INIZCTEOSA-N -2 3 396.363 1.694 20 5 GDBDHL O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826473577 608086424 /nfs/dbraw/zinc/08/64/24/608086424.db2.gz DHVTUGWUXFWRLI-INIZCTEOSA-N -2 3 396.363 1.694 20 5 GDBDHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826237197 608305409 /nfs/dbraw/zinc/30/54/09/608305409.db2.gz RJPIZYKPUZOLRY-UHFFFAOYSA-N -2 3 384.765 1.261 20 5 GDBDHL O=[N+]([O-])c1ccc([O-])cc1CN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826498768 608509734 /nfs/dbraw/zinc/50/97/34/608509734.db2.gz JAZGSKWTILFPRT-UHFFFAOYSA-N -2 3 382.384 1.198 20 5 GDBDHL O=[N+]([O-])c1ccc([O-])cc1CN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826498768 608509736 /nfs/dbraw/zinc/50/97/36/608509736.db2.gz JAZGSKWTILFPRT-UHFFFAOYSA-N -2 3 382.384 1.198 20 5 GDBDHL O=C([O-])[C@H](CC1CCOCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000776603021 654699019 /nfs/dbraw/zinc/69/90/19/654699019.db2.gz VGDCHFQGKFWWHP-LBPRGKRZSA-N -2 3 392.817 1.796 20 5 GDBDHL COc1cc(C(=O)[O-])ccc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001599367595 998360878 /nfs/dbraw/zinc/36/08/78/998360878.db2.gz KWEJZFSLQDXZTP-UHFFFAOYSA-N -2 3 398.368 1.962 20 5 GDBDHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000261623873 531093852 /nfs/dbraw/zinc/09/38/52/531093852.db2.gz CPOWOHUFGQQSKP-SNVBAGLBSA-N -2 3 381.204 1.745 20 5 GDBDHL COc1c(F)cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccsc2)cc1[N+](=O)[O-] ZINC000558736473 531580779 /nfs/dbraw/zinc/58/07/79/531580779.db2.gz QKDNUOINTDQKES-NSHDSACASA-N -2 3 390.370 1.908 20 5 GDBDHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000737300439 598976953 /nfs/dbraw/zinc/97/69/53/598976953.db2.gz XMRCBLKUABNGNB-UHFFFAOYSA-N -2 3 388.365 1.202 20 5 GDBDHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000737300439 598976955 /nfs/dbraw/zinc/97/69/55/598976955.db2.gz XMRCBLKUABNGNB-UHFFFAOYSA-N -2 3 388.365 1.202 20 5 GDBDHL C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739041010 601992134 /nfs/dbraw/zinc/99/21/34/601992134.db2.gz XXHPGMBZSCOVFK-UWVGGRQHSA-N -2 3 375.378 1.791 20 5 GDBDHL O=C([O-])NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000832489389 603130637 /nfs/dbraw/zinc/13/06/37/603130637.db2.gz CXGBPQPUKTZUAL-KCJUWKMLSA-N -2 3 377.806 1.963 20 5 GDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1C ZINC000822212957 606210553 /nfs/dbraw/zinc/21/05/53/606210553.db2.gz OIXFQFXFXQLDAI-UHFFFAOYSA-N -2 3 390.381 1.898 20 5 GDBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nn[nH]n2)c1C ZINC000826271935 608267893 /nfs/dbraw/zinc/26/78/93/608267893.db2.gz NODNXHPCYZJDBD-UHFFFAOYSA-N -2 3 390.381 1.898 20 5 GDBDHL O=C([O-])[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000590603155 652135899 /nfs/dbraw/zinc/13/58/99/652135899.db2.gz ULGBCPVPYGCQBW-GFCCVEGCSA-N -2 3 385.785 1.617 20 5 GDBDHL O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC001595201505 952314953 /nfs/dbraw/zinc/31/49/53/952314953.db2.gz IGRMFQJXTOGPKU-KNVOCYPGSA-N -2 3 379.188 1.499 20 5 GDBDHL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000852732562 955836832 /nfs/dbraw/zinc/83/68/32/955836832.db2.gz FHABAFRYISXOGA-CMPLNLGQSA-N -3 3 391.302 1.397 20 5 GDBDHL Cc1nc(C)c(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])s1 ZINC000414327477 531439750 /nfs/dbraw/zinc/43/97/50/531439750.db2.gz ZBZIFTKAQWJBQN-UHFFFAOYSA-N -2 3 385.423 1.887 20 5 GDBDHL Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])cc1[N+](=O)[O-] ZINC000275064459 532259379 /nfs/dbraw/zinc/25/93/79/532259379.db2.gz ZOXVRMRACNTZJR-SSDOTTSWSA-N -3 3 380.762 1.010 20 5 GDBDHL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000275081571 532262787 /nfs/dbraw/zinc/26/27/87/532262787.db2.gz YVVNBVISRKZKFX-HTQZYQBOSA-N -2 3 391.199 1.665 20 5 GDBDHL O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000738358944 599043039 /nfs/dbraw/zinc/04/30/39/599043039.db2.gz GALOHHYSEUSRER-UHFFFAOYSA-N -2 3 396.772 1.935 20 5 GDBDHL O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000738358944 599043042 /nfs/dbraw/zinc/04/30/42/599043042.db2.gz GALOHHYSEUSRER-UHFFFAOYSA-N -2 3 396.772 1.935 20 5 GDBDHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000831328813 600689341 /nfs/dbraw/zinc/68/93/41/600689341.db2.gz ZODVPESHOPNZGL-UHFFFAOYSA-N -3 3 396.333 1.586 20 5 GDBDHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000823387676 607154121 /nfs/dbraw/zinc/15/41/21/607154121.db2.gz UGMSSMXKFXTQFB-UHFFFAOYSA-N -3 3 390.337 1.274 20 5 GDBDHL O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1scnc1C1CC1 ZINC000826497683 608095203 /nfs/dbraw/zinc/09/52/03/608095203.db2.gz PVGLTHZMJSVVOG-UHFFFAOYSA-N -2 3 393.410 1.910 20 5 GDBDHL O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1scnc1C1CC1 ZINC000826497683 608095204 /nfs/dbraw/zinc/09/52/04/608095204.db2.gz PVGLTHZMJSVVOG-UHFFFAOYSA-N -2 3 393.410 1.910 20 5 GDBDHL O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000823634173 655466060 /nfs/dbraw/zinc/46/60/60/655466060.db2.gz BRGVWNARWGDJEV-UHFFFAOYSA-N -2 3 387.790 1.686 20 5 GDBDHL