smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(c2ccc(NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cn2)CC1 ZINC000030030919 1077255631 /nfs/dbraw/zinc/25/56/31/1077255631.db2.gz UIARJDZTMAHHNJ-UHFFFAOYSA-N 0 1 424.417 0.976 20 5 HCBDMN NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)NCC2(N3CCOCC3)CCCCC2)c1=O ZINC000031812170 1077470366 /nfs/dbraw/zinc/47/03/66/1077470366.db2.gz XSYOIVVRYXZSAS-UHFFFAOYSA-N 0 1 421.454 0.007 20 5 HCBDMN CC(C)CN1CCO[C@@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000032268659 1077822724 /nfs/dbraw/zinc/82/27/24/1077822724.db2.gz YYIJMPQAMLUGSZ-HNNXBMFYSA-N 0 1 406.439 0.793 20 5 HCBDMN CC(C)CN1CCO[C@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000032268660 1077822789 /nfs/dbraw/zinc/82/27/89/1077822789.db2.gz YYIJMPQAMLUGSZ-OAHLLOKOSA-N 0 1 406.439 0.793 20 5 HCBDMN O=C(CN1CCOCC1)N1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000032300851 1077830922 /nfs/dbraw/zinc/83/09/22/1077830922.db2.gz TXDNFJTVBFATPC-UHFFFAOYSA-N 0 1 402.411 0.088 20 5 HCBDMN CN(C)CCNS(=O)(=O)c1ccc(N2CCN(CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC000060874939 1073453645 /nfs/dbraw/zinc/45/36/45/1073453645.db2.gz FNLJTPJKBZRXCG-UHFFFAOYSA-N 0 1 421.470 0.822 20 5 HCBDMN CN1CCN(S(=O)(=O)c2ccc(N3CC[C@@H](N4CC=CC4)C3)c([N+](=O)[O-])c2)CC1 ZINC000301471431 1080096472 /nfs/dbraw/zinc/09/64/72/1080096472.db2.gz TUKHKCOQRZJALV-MRXNPFEDSA-N 0 1 421.523 0.981 20 5 HCBDMN CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@H](C)CO ZINC000428859088 1081281070 /nfs/dbraw/zinc/28/10/70/1081281070.db2.gz CBEGDVIBSSBLJB-CQSZACIVSA-N 0 1 414.484 0.130 20 5 HCBDMN CCN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@H](C)CO ZINC000428864256 1081284372 /nfs/dbraw/zinc/28/43/72/1081284372.db2.gz SIMFUTINNJJHII-CQSZACIVSA-N 0 1 414.484 0.130 20 5 HCBDMN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCCCN1CCC(O)CC1)OCCO2 ZINC000443147548 1075415490 /nfs/dbraw/zinc/41/54/90/1075415490.db2.gz PUHZWWMPDNBACA-UHFFFAOYSA-N 0 1 401.441 0.491 20 5 HCBDMN CCOC(=O)c1cc(S(=O)(=O)NCC2(O)CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC000443240067 1075503948 /nfs/dbraw/zinc/50/39/48/1075503948.db2.gz JBZZOKZQOVBLCZ-UHFFFAOYSA-N 0 1 415.468 0.815 20 5 HCBDMN Cc1ccc(S(=O)(=O)NCCCCN2CCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000443259220 1075543437 /nfs/dbraw/zinc/54/34/37/1075543437.db2.gz ZEFSSLSBGMLARB-UHFFFAOYSA-N 0 1 400.501 0.572 20 5 HCBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCCN1CCN(CCO)CC1 ZINC000443259278 1075543500 /nfs/dbraw/zinc/54/35/00/1075543500.db2.gz ZSAYRNBQKOROHZ-UHFFFAOYSA-N 0 1 400.501 0.572 20 5 HCBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCCCN2CCN(CCO)CC2)c1C ZINC000443260449 1075545153 /nfs/dbraw/zinc/54/51/53/1075545153.db2.gz DDBGJXSMKAQXAH-UHFFFAOYSA-N 0 1 414.528 0.880 20 5 HCBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCN1CCN(CCO)CC1 ZINC000443261652 1075544217 /nfs/dbraw/zinc/54/42/17/1075544217.db2.gz LBOIBVBCCSYFSX-UHFFFAOYSA-N 0 1 414.528 0.826 20 5 HCBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCN1CCN(CCO)CC1 ZINC000443263779 1075543365 /nfs/dbraw/zinc/54/33/65/1075543365.db2.gz PLTZMHLMXKEKLV-UHFFFAOYSA-N 0 1 416.500 0.272 20 5 HCBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCN1CCN(CCO)CC1 ZINC000443267537 1075549251 /nfs/dbraw/zinc/54/92/51/1075549251.db2.gz ANWHHPIXWCKYRB-UHFFFAOYSA-N 0 1 400.501 0.572 20 5 HCBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCCCN2CCN(CCO)CC2)c1C ZINC000443268435 1075549584 /nfs/dbraw/zinc/54/95/84/1075549584.db2.gz KLKIYLLWODYKSC-UHFFFAOYSA-N 0 1 414.528 0.880 20 5 HCBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCCCN1CCN(CCO)CC1 ZINC000443268677 1075549609 /nfs/dbraw/zinc/54/96/09/1075549609.db2.gz IGMQONYMKCWATD-UHFFFAOYSA-N 0 1 414.528 0.880 20 5 HCBDMN COc1cc(S(=O)(=O)NCCCCN2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000443268980 1075553547 /nfs/dbraw/zinc/55/35/47/1075553547.db2.gz CBTMBAZDEQDTDK-UHFFFAOYSA-N 0 1 416.500 0.272 20 5 HCBDMN COc1ccc(S(=O)(=O)NCCCCN2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000443270396 1075553501 /nfs/dbraw/zinc/55/35/01/1075553501.db2.gz IEBRFTRJPLCNMB-UHFFFAOYSA-N 0 1 416.500 0.272 20 5 HCBDMN O=[N+]([O-])c1ccc(CS(=O)(=O)NCCCCN2CCN(CCO)CC2)cc1 ZINC000443271885 1075553471 /nfs/dbraw/zinc/55/34/71/1075553471.db2.gz ZGQKSZDCXIPIPL-UHFFFAOYSA-N 0 1 400.501 0.404 20 5 HCBDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCCN1CCN(CCO)CC1 ZINC000443275040 1075561502 /nfs/dbraw/zinc/56/15/02/1075561502.db2.gz OLWMUGSEFSWGMJ-UHFFFAOYSA-N 0 1 416.500 0.272 20 5 HCBDMN COc1ccc(S(=O)(=O)NCCCCN2CCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000443275322 1075561882 /nfs/dbraw/zinc/56/18/82/1075561882.db2.gz XPQQQCPFPOOQNU-UHFFFAOYSA-N 0 1 416.500 0.272 20 5 HCBDMN Cc1ccc(S(=O)(=O)NCCCCN2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000443275565 1075555880 /nfs/dbraw/zinc/55/58/80/1075555880.db2.gz PVBLDKKFDPOBIP-UHFFFAOYSA-N 0 1 400.501 0.572 20 5 HCBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCCN1CCN(CCO)CC1 ZINC000443279703 1075560791 /nfs/dbraw/zinc/56/07/91/1075560791.db2.gz ZTEOLRDYALVLDB-UHFFFAOYSA-N 0 1 400.501 0.572 20 5 HCBDMN Cc1cc(S(=O)(=O)NCCCCN2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000443290564 1075577130 /nfs/dbraw/zinc/57/71/30/1075577130.db2.gz YRHQLPDYAAUJJE-UHFFFAOYSA-N 0 1 400.501 0.572 20 5 HCBDMN Cn1c(=O)c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)cnc2n(C)c1=O ZINC000443355111 1075715286 /nfs/dbraw/zinc/71/52/86/1075715286.db2.gz ATODNGZWUKGFEF-UHFFFAOYSA-N 0 1 409.355 0.480 20 5 HCBDMN Cc1ccc(S(=O)(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1[N+](=O)[O-] ZINC000443361944 1075715334 /nfs/dbraw/zinc/71/53/34/1075715334.db2.gz NNRJLTBJLDGDOI-UHFFFAOYSA-N 0 1 405.392 0.650 20 5 HCBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000443367549 1075731551 /nfs/dbraw/zinc/73/15/51/1075731551.db2.gz BORQXPFKQKXTLO-UHFFFAOYSA-N 0 1 419.419 0.904 20 5 HCBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1C ZINC000443371791 1075731501 /nfs/dbraw/zinc/73/15/01/1075731501.db2.gz SQQVNOQYWAJROL-UHFFFAOYSA-N 0 1 419.419 0.958 20 5 HCBDMN COc1ccc(S(=O)(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1[N+](=O)[O-] ZINC000443373264 1075730142 /nfs/dbraw/zinc/73/01/42/1075730142.db2.gz OAIQAXVOQHQJJP-UHFFFAOYSA-N 0 1 421.391 0.350 20 5 HCBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000443381017 1075749928 /nfs/dbraw/zinc/74/99/28/1075749928.db2.gz GOPABVDOSOFLOL-UHFFFAOYSA-N 0 1 405.392 0.650 20 5 HCBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000443388093 1075766441 /nfs/dbraw/zinc/76/64/41/1075766441.db2.gz PBRWIHZWSDNHSC-UHFFFAOYSA-N 0 1 405.392 0.650 20 5 HCBDMN C[C@@H]1CC[C@@H](C(N)=O)CN1c1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000443437374 1075822274 /nfs/dbraw/zinc/82/22/74/1075822274.db2.gz BGYWRTKEUGNZRW-CHWSQXEVSA-N 0 1 413.500 0.525 20 5 HCBDMN C[C@@H]1CC[C@H](C(N)=O)CN1c1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000443437376 1075821853 /nfs/dbraw/zinc/82/18/53/1075821853.db2.gz BGYWRTKEUGNZRW-OLZOCXBDSA-N 0 1 413.500 0.525 20 5 HCBDMN C[C@H]1CC[C@@H](C(N)=O)CN1c1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000443437378 1075823018 /nfs/dbraw/zinc/82/30/18/1075823018.db2.gz BGYWRTKEUGNZRW-QWHCGFSZSA-N 0 1 413.500 0.525 20 5 HCBDMN CNC(=O)CNC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000443526665 1075885172 /nfs/dbraw/zinc/88/51/72/1075885172.db2.gz FGSYKJHCBZGVSG-UHFFFAOYSA-N 0 1 422.419 0.880 20 5 HCBDMN CCOC1CC(O)(CNc2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])C1 ZINC000443957566 1077298044 /nfs/dbraw/zinc/29/80/44/1077298044.db2.gz DFMITBTWSRANGK-UHFFFAOYSA-N 0 1 416.500 0.777 20 5 HCBDMN CN(C)CCNS(=O)(=O)c1ccc(N(C)CC2(O)CCOCC2)c([N+](=O)[O-])c1 ZINC000443987130 1077308812 /nfs/dbraw/zinc/30/88/12/1077308812.db2.gz JQKPXOHEEDBCEL-UHFFFAOYSA-N 0 1 416.500 0.412 20 5 HCBDMN COCCO[C@H]1CCN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])C1 ZINC000443994374 1077308679 /nfs/dbraw/zinc/30/86/79/1077308679.db2.gz OQYUXCHGSFDQRE-AWEZNQCLSA-N 0 1 416.500 0.676 20 5 HCBDMN COCCO[C@@H]1CCN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])C1 ZINC000443994375 1077308795 /nfs/dbraw/zinc/30/87/95/1077308795.db2.gz OQYUXCHGSFDQRE-CQSZACIVSA-N 0 1 416.500 0.676 20 5 HCBDMN CN(C)CCNS(=O)(=O)c1ccc(N(CCO)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000443994993 1077312522 /nfs/dbraw/zinc/31/25/22/1077312522.db2.gz MAKWOZHPLJKTFB-UHFFFAOYSA-N 0 1 416.500 0.412 20 5 HCBDMN CC(=O)N1CCN(c2ccc(C(=O)N(C)C[C@@H](C)c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000460336063 1075823519 /nfs/dbraw/zinc/82/35/19/1075823519.db2.gz QLIAKEWSOIIFHM-GFCCVEGCSA-N 0 1 416.442 0.652 20 5 HCBDMN CC(=O)N1CCN(c2ccc(C(=O)N(C)C[C@H](C)c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000460336064 1075824124 /nfs/dbraw/zinc/82/41/24/1075824124.db2.gz QLIAKEWSOIIFHM-LBPRGKRZSA-N 0 1 416.442 0.652 20 5 HCBDMN CN1CCN(C(=O)CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CC1 ZINC000460358982 1075842451 /nfs/dbraw/zinc/84/24/51/1075842451.db2.gz YQANPYGYCQOIHN-UHFFFAOYSA-N 0 1 401.471 0.757 20 5 HCBDMN CNS(=O)(=O)c1ccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])nc1 ZINC000462366654 1075373581 /nfs/dbraw/zinc/37/35/81/1075373581.db2.gz VZRCNBAIPMYRIS-UHFFFAOYSA-N 0 1 400.438 0.882 20 5 HCBDMN CN(C)CCNS(=O)(=O)c1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000462746385 1075510502 /nfs/dbraw/zinc/51/05/02/1075510502.db2.gz SWJHDZPEAJGUQG-UHFFFAOYSA-N 0 1 410.456 0.660 20 5 HCBDMN CN(C)CCNS(=O)(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000462747154 1075510012 /nfs/dbraw/zinc/51/00/12/1075510012.db2.gz YENKIWDOWXXWJL-UHFFFAOYSA-N 0 1 408.440 0.664 20 5 HCBDMN CN(C)CCNS(=O)(=O)c1cccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000462753213 1075507804 /nfs/dbraw/zinc/50/78/04/1075507804.db2.gz KECXYVZWRGGAKB-UHFFFAOYSA-N 0 1 423.451 0.235 20 5 HCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(S(=O)(=O)NCCN(C)C)c1 ZINC000462756490 1075515090 /nfs/dbraw/zinc/51/50/90/1075515090.db2.gz NPTRRQAZDFMODD-UHFFFAOYSA-N 0 1 410.456 0.578 20 5 HCBDMN Cc1nn(C)c(C(=O)Nc2cccc(S(=O)(=O)NCCN(C)C)c2)c1[N+](=O)[O-] ZINC000462759277 1075516233 /nfs/dbraw/zinc/51/62/33/1075516233.db2.gz YTJFOLUSCKGSNI-UHFFFAOYSA-N 0 1 410.456 0.729 20 5 HCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(S(=O)(=O)NCCN(C)C)c1 ZINC000462761006 1075511723 /nfs/dbraw/zinc/51/17/23/1075511723.db2.gz HCUNBLAGDUJMLJ-UHFFFAOYSA-N 0 1 424.483 0.968 20 5 HCBDMN CC(C)NC(=O)CN(C)c1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000462793502 1075523106 /nfs/dbraw/zinc/52/31/06/1075523106.db2.gz QDOIYEZORCQLSG-UHFFFAOYSA-N 0 1 401.489 0.396 20 5 HCBDMN COC[C@H]1CN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])CCO1 ZINC000462869471 1075543282 /nfs/dbraw/zinc/54/32/82/1075543282.db2.gz BPNPQGPYMQIJJK-CYBMUJFWSA-N 0 1 402.473 0.286 20 5 HCBDMN COC[C@@H]1CN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])CCO1 ZINC000462869472 1075543037 /nfs/dbraw/zinc/54/30/37/1075543037.db2.gz BPNPQGPYMQIJJK-ZDUSSCGKSA-N 0 1 402.473 0.286 20 5 HCBDMN CN(C)CCNS(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000462894898 1075551371 /nfs/dbraw/zinc/55/13/71/1075551371.db2.gz JZCYABRNGMFGMM-HNNXBMFYSA-N 0 1 409.512 0.885 20 5 HCBDMN CN(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000462894899 1075551249 /nfs/dbraw/zinc/55/12/49/1075551249.db2.gz JZCYABRNGMFGMM-OAHLLOKOSA-N 0 1 409.512 0.885 20 5 HCBDMN CC[C@H](CO)N1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000462934665 1075562165 /nfs/dbraw/zinc/56/21/65/1075562165.db2.gz HRCZOPNZLDGZTD-DZGCQCFKSA-N 0 1 408.455 0.779 20 5 HCBDMN CC[C@@H](CO)N1CCN(c2ccc(C(=O)N[C@H](C)C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000462934666 1080430031 /nfs/dbraw/zinc/43/00/31/1080430031.db2.gz HRCZOPNZLDGZTD-HIFRSBDPSA-N 0 1 408.455 0.779 20 5 HCBDMN CC[C@H](CO)N1CCN(c2ccc(C(=O)N[C@H](C)C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000462934667 1080430256 /nfs/dbraw/zinc/43/02/56/1080430256.db2.gz HRCZOPNZLDGZTD-UKRRQHHQSA-N 0 1 408.455 0.779 20 5 HCBDMN CC[C@@H](CO)N1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000462934668 1075562139 /nfs/dbraw/zinc/56/21/39/1075562139.db2.gz HRCZOPNZLDGZTD-ZFWWWQNUSA-N 0 1 408.455 0.779 20 5 HCBDMN COC(=O)[C@H]1CCCN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])C1 ZINC000462943140 1075560873 /nfs/dbraw/zinc/56/08/73/1075560873.db2.gz VJRAAYJFIVZOPR-ZDUSSCGKSA-N 0 1 414.484 0.824 20 5 HCBDMN CNS(=O)(=O)NC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000463194228 1075640485 /nfs/dbraw/zinc/64/04/85/1075640485.db2.gz QDOPQGVOOFEFSV-UHFFFAOYSA-N 0 1 415.472 0.450 20 5 HCBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCNS(C)(=O)=O)C1CC1 ZINC000463196701 1075641718 /nfs/dbraw/zinc/64/17/18/1075641718.db2.gz MDTJETDHJCMVTK-UHFFFAOYSA-N 0 1 400.457 0.946 20 5 HCBDMN CNS(=O)(=O)NC1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000463208749 1075650329 /nfs/dbraw/zinc/65/03/29/1075650329.db2.gz GPFWUSAGJVZVFD-UHFFFAOYSA-N 0 1 415.472 0.450 20 5 HCBDMN CNS(=O)(=O)NC1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000463215747 1075663987 /nfs/dbraw/zinc/66/39/87/1075663987.db2.gz RHZYAWINEWBGAH-UHFFFAOYSA-N 0 1 413.456 0.411 20 5 HCBDMN CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000463671959 1075791268 /nfs/dbraw/zinc/79/12/68/1075791268.db2.gz ZMMRIOTUNKNCFZ-UHFFFAOYSA-N 0 1 407.452 0.538 20 5 HCBDMN CCCc1[nH]nc(C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1[N+](=O)[O-] ZINC000464090811 1075863817 /nfs/dbraw/zinc/86/38/17/1075863817.db2.gz PAWOUGVHVYBJMG-UHFFFAOYSA-N 0 1 412.428 0.546 20 5 HCBDMN Cc1cc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000466438405 1081153559 /nfs/dbraw/zinc/15/35/59/1081153559.db2.gz MCNKVLMOACQVNB-UHFFFAOYSA-N 0 1 411.422 0.918 20 5 HCBDMN CCNc1ccc(C(=O)N(CCN2CCN(C)CC2)CC(=O)OC)cc1[N+](=O)[O-] ZINC000466531573 1081253191 /nfs/dbraw/zinc/25/31/91/1081253191.db2.gz UIAHMHUVOXONRV-UHFFFAOYSA-N 0 1 407.471 0.889 20 5 HCBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](O)[C@@H](N(C)CC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000487695321 1077345574 /nfs/dbraw/zinc/34/55/74/1077345574.db2.gz WSQAHNNLRBMGHN-NWDGAFQWSA-N 0 1 411.459 0.900 20 5 HCBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](O)[C@H](N(C)CC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000487695322 1077345505 /nfs/dbraw/zinc/34/55/05/1077345505.db2.gz WSQAHNNLRBMGHN-VXGBXAGGSA-N 0 1 411.459 0.900 20 5 HCBDMN COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000487760568 1077483624 /nfs/dbraw/zinc/48/36/24/1077483624.db2.gz JNHZRYQUQAUZAP-AWEZNQCLSA-N 0 1 422.438 0.855 20 5 HCBDMN COCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000487760570 1077483367 /nfs/dbraw/zinc/48/33/67/1077483367.db2.gz JNHZRYQUQAUZAP-CQSZACIVSA-N 0 1 422.438 0.855 20 5 HCBDMN COC(=O)c1cc(NC(=O)C(=O)N2CCCN([C@H](C)CO)CC2)c(C)c([N+](=O)[O-])c1 ZINC000487780426 1077562620 /nfs/dbraw/zinc/56/26/20/1077562620.db2.gz GDIHMZOEDXQCAV-GFCCVEGCSA-N 0 1 422.438 0.543 20 5 HCBDMN COC(=O)c1cc(NC(=O)C(=O)N2CCCN([C@@H](C)CO)CC2)c(C)c([N+](=O)[O-])c1 ZINC000487780430 1077562510 /nfs/dbraw/zinc/56/25/10/1077562510.db2.gz GDIHMZOEDXQCAV-LBPRGKRZSA-N 0 1 422.438 0.543 20 5 HCBDMN COC(=O)c1cc(NC(=O)C(=O)N[C@H](C)CN2CCN(C)CC2)c(C)c([N+](=O)[O-])c1 ZINC000487808254 1077665639 /nfs/dbraw/zinc/66/56/39/1077665639.db2.gz VYJSARJIMYLAKA-GFCCVEGCSA-N 0 1 421.454 0.380 20 5 HCBDMN COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)CN2CCN(C)CC2)c(C)c([N+](=O)[O-])c1 ZINC000487808255 1077665678 /nfs/dbraw/zinc/66/56/78/1077665678.db2.gz VYJSARJIMYLAKA-LBPRGKRZSA-N 0 1 421.454 0.380 20 5 HCBDMN COCCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)C1 ZINC000487845308 1077745375 /nfs/dbraw/zinc/74/53/75/1077745375.db2.gz WTYQETRTEXAVGD-CYBMUJFWSA-N 0 1 408.411 0.465 20 5 HCBDMN COC(=O)c1cc(NC(=O)C(=O)NCCCCN2CCOCC2)c(C)c([N+](=O)[O-])c1 ZINC000487885814 1077808182 /nfs/dbraw/zinc/80/81/82/1077808182.db2.gz HMJTVFTUJOJGLU-UHFFFAOYSA-N 0 1 422.438 0.857 20 5 HCBDMN COc1c(F)cc(S(=O)(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000491594352 1077252501 /nfs/dbraw/zinc/25/25/01/1077252501.db2.gz PGOBVEFOHBBMLH-GFCCVEGCSA-N 0 1 404.464 0.904 20 5 HCBDMN COc1c(F)cc(S(=O)(=O)NC[C@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000491594353 1077252601 /nfs/dbraw/zinc/25/26/01/1077252601.db2.gz PGOBVEFOHBBMLH-LBPRGKRZSA-N 0 1 404.464 0.904 20 5 HCBDMN Cc1[nH]nc(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000492293773 1077286002 /nfs/dbraw/zinc/28/60/02/1077286002.db2.gz QOUGPZJVMYUZQK-UHFFFAOYSA-N 0 1 414.488 0.893 20 5 HCBDMN CN1CCN(Cc2cccc(NC(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)c2)CC1 ZINC000492352315 1077288568 /nfs/dbraw/zinc/28/85/68/1077288568.db2.gz AHYPFLFTDGXIIJ-UHFFFAOYSA-N 0 1 415.454 0.294 20 5 HCBDMN Cc1[nH]nc(C(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)c1[N+](=O)[O-] ZINC000492421001 1077292388 /nfs/dbraw/zinc/29/23/88/1077292388.db2.gz GRSDSUMLUSVCEA-UHFFFAOYSA-N 0 1 400.461 0.505 20 5 HCBDMN Cc1cc(C)c(S(=O)(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1[N+](=O)[O-] ZINC000493033096 1077322355 /nfs/dbraw/zinc/32/23/55/1077322355.db2.gz LXTLYDUFWODFAG-UHFFFAOYSA-N 0 1 419.419 0.958 20 5 HCBDMN 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411.484 0.246 20 5 HCBDMN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CC(N(C)C)C2)c([N+](=O)[O-])c1 ZINC000497705343 1078310319 /nfs/dbraw/zinc/31/03/19/1078310319.db2.gz GDKMFZJVYVSLDL-UHFFFAOYSA-N 0 1 414.484 0.777 20 5 HCBDMN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000497736056 1078314815 /nfs/dbraw/zinc/31/48/15/1078314815.db2.gz LYFRHIFGUNABTE-AEFFLSMTSA-N 0 1 400.435 0.756 20 5 HCBDMN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000497736057 1078314701 /nfs/dbraw/zinc/31/47/01/1078314701.db2.gz LYFRHIFGUNABTE-FUHWJXTLSA-N 0 1 400.435 0.756 20 5 HCBDMN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000497736058 1078314744 /nfs/dbraw/zinc/31/47/44/1078314744.db2.gz LYFRHIFGUNABTE-SJLPKXTDSA-N 0 1 400.435 0.756 20 5 HCBDMN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000497736059 1078314691 /nfs/dbraw/zinc/31/46/91/1078314691.db2.gz LYFRHIFGUNABTE-WMZOPIPTSA-N 0 1 400.435 0.756 20 5 HCBDMN 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MWGZGSCXXGPQMA-MRXNPFEDSA-N 0 1 407.471 0.930 20 5 HCBDMN CCn1cc(S(=O)(=O)[N-]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])n1 ZINC000542844608 1080354279 /nfs/dbraw/zinc/35/42/79/1080354279.db2.gz UWZFIHLGPIJQIN-HNNXBMFYSA-N 0 1 409.468 0.856 20 5 HCBDMN CCn1cc(S(=O)(=O)[N-]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])n1 ZINC000542844608 1080354276 /nfs/dbraw/zinc/35/42/76/1080354276.db2.gz UWZFIHLGPIJQIN-HNNXBMFYSA-N 0 1 409.468 0.856 20 5 HCBDMN CCn1cc(S(=O)(=O)[N-]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])n1 ZINC000542844609 1080354081 /nfs/dbraw/zinc/35/40/81/1080354081.db2.gz UWZFIHLGPIJQIN-OAHLLOKOSA-N 0 1 409.468 0.856 20 5 HCBDMN CCn1cc(S(=O)(=O)[N-]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])n1 ZINC000542844609 1080354068 /nfs/dbraw/zinc/35/40/68/1080354068.db2.gz UWZFIHLGPIJQIN-OAHLLOKOSA-N 0 1 409.468 0.856 20 5 HCBDMN Cc1nc(CN2CCN(C(=O)CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)n[nH]1 ZINC000542951977 1080556082 /nfs/dbraw/zinc/55/60/82/1080556082.db2.gz MSZXKFCRZYLRCS-UHFFFAOYSA-N 0 1 401.427 0.404 20 5 HCBDMN Cc1cc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000543033040 1080844003 /nfs/dbraw/zinc/84/40/03/1080844003.db2.gz VBPDOKRAUYKUNE-UHFFFAOYSA-N 0 1 413.434 0.959 20 5 HCBDMN Cn1ccnc1CN1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1=O ZINC000543050850 1080859510 /nfs/dbraw/zinc/85/95/10/1080859510.db2.gz MCWKZJNQMNVFQC-GFCCVEGCSA-N 0 1 411.415 0.937 20 5 HCBDMN Cn1ccnc1CN1CCC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1=O ZINC000543050851 1080859386 /nfs/dbraw/zinc/85/93/86/1080859386.db2.gz MCWKZJNQMNVFQC-LBPRGKRZSA-N 0 1 411.415 0.937 20 5 HCBDMN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC000543195624 1081037613 /nfs/dbraw/zinc/03/76/13/1081037613.db2.gz GTKRYRMCUWZEAS-GFCCVEGCSA-N 0 1 400.457 0.296 20 5 HCBDMN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC(O)(CN2CCOCC2)CC1 ZINC000543298299 1081100034 /nfs/dbraw/zinc/10/00/34/1081100034.db2.gz XXGYYTDDBNUFAN-UHFFFAOYSA-N 0 1 407.423 0.665 20 5 HCBDMN O=C(CCCCc1cn[nH]n1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000543417045 1081198727 /nfs/dbraw/zinc/19/87/27/1081198727.db2.gz LEZSDAWNFOJYDO-UHFFFAOYSA-N 0 1 422.467 0.959 20 5 HCBDMN CCn1cc(S(=O)(=O)N2CCC(CCN3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000549910613 1077258620 /nfs/dbraw/zinc/25/86/20/1077258620.db2.gz VTBJWXCXCFUCSM-UHFFFAOYSA-N 0 1 401.489 0.934 20 5 HCBDMN CN1CC[C@@H](N2CCC(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)C1=O ZINC000552247226 1079550936 /nfs/dbraw/zinc/55/09/36/1079550936.db2.gz GYGJXTCTVXTPOI-MRXNPFEDSA-N 0 1 403.439 0.136 20 5 HCBDMN CC1=CCN(CCNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000554576905 1080321816 /nfs/dbraw/zinc/32/18/16/1080321816.db2.gz NTWQSDUNJNMROT-UHFFFAOYSA-N 0 1 402.455 0.407 20 5 HCBDMN CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N2CCc3[nH]nnc3C2)cc1[N+](=O)[O-] ZINC000555045331 1081102057 /nfs/dbraw/zinc/10/20/57/1081102057.db2.gz BZCFIPKKIKYNRB-UHFFFAOYSA-N 0 1 423.455 0.396 20 5 HCBDMN COC(=O)c1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)C)cc([N+](=O)[O-])c1 ZINC000555123983 1081289601 /nfs/dbraw/zinc/28/96/01/1081289601.db2.gz PSADTVMTCMTYSZ-UHFFFAOYSA-N 0 1 409.442 0.405 20 5 HCBDMN COCCOCCc1ncc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[nH]1 ZINC000555286226 1081342382 /nfs/dbraw/zinc/34/23/82/1081342382.db2.gz GRKRDHFOXKPOAI-UHFFFAOYSA-N 0 1 404.427 0.881 20 5 HCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCN[C@H](c2nnc[nH]2)c2cccnc2)c1 ZINC000556064402 1078405477 /nfs/dbraw/zinc/40/54/77/1078405477.db2.gz ZLTHVOKODASCJW-HNNXBMFYSA-N 0 1 403.424 0.765 20 5 HCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCN[C@@H](c2nnc[nH]2)c2cccnc2)c1 ZINC000556064403 1078405364 /nfs/dbraw/zinc/40/53/64/1078405364.db2.gz ZLTHVOKODASCJW-OAHLLOKOSA-N 0 1 403.424 0.765 20 5 HCBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCN[C@H](c1nnc[nH]1)c1cccnc1 ZINC000556118746 1078452456 /nfs/dbraw/zinc/45/24/56/1078452456.db2.gz KJIMTUGXPZLDNK-HNNXBMFYSA-N 0 1 403.424 0.765 20 5 HCBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCN[C@@H](c1nnc[nH]1)c1cccnc1 ZINC000556118747 1078452546 /nfs/dbraw/zinc/45/25/46/1078452546.db2.gz KJIMTUGXPZLDNK-OAHLLOKOSA-N 0 1 403.424 0.765 20 5 HCBDMN O=C(NCCCCN1CCN(c2ncccn2)CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000557052791 1079102447 /nfs/dbraw/zinc/10/24/47/1079102447.db2.gz VYPDDPNHGZPTOR-UHFFFAOYSA-N 0 1 401.427 0.818 20 5 HCBDMN CCN(CC)C(=O)CN(C)c1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000603472524 1073524971 /nfs/dbraw/zinc/52/49/71/1073524971.db2.gz ZXDHINOPOUSEKI-UHFFFAOYSA-N 0 1 415.516 0.739 20 5 HCBDMN COC(=O)C1CCN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])CC1 ZINC000603472949 1073525565 /nfs/dbraw/zinc/52/55/65/1073525565.db2.gz KNGUVKXRVUGMSJ-UHFFFAOYSA-N 0 1 414.484 0.824 20 5 HCBDMN CN(C)CCNS(=O)(=O)c1ccc(NCCCN2CCCC2=O)c([N+](=O)[O-])c1 ZINC000603474876 1073525732 /nfs/dbraw/zinc/52/57/32/1073525732.db2.gz DRWWGJZZUMCQDI-UHFFFAOYSA-N 0 1 413.500 0.859 20 5 HCBDMN CN(C)CCNS(=O)(=O)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1 ZINC000603475102 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JXRRAYDRDGNRCF-UHFFFAOYSA-N 0 1 404.876 0.951 20 5 HCBDMN CN1CCN(C(C)(C)CNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000603805727 1073631478 /nfs/dbraw/zinc/63/14/78/1073631478.db2.gz ALZBOAYKKDRIJJ-UHFFFAOYSA-N 0 1 405.503 0.847 20 5 HCBDMN COc1ccc(C(=O)NCC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000603839673 1073637894 /nfs/dbraw/zinc/63/78/94/1073637894.db2.gz WXSDROHJURUIMZ-KBPBESRZSA-N 0 1 408.455 0.949 20 5 HCBDMN COc1ccc(C(=O)NCC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000603839674 1073637856 /nfs/dbraw/zinc/63/78/56/1073637856.db2.gz WXSDROHJURUIMZ-OKILXGFUSA-N 0 1 408.455 0.949 20 5 HCBDMN COc1ccc(C(=O)NCC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000603839675 1073637752 /nfs/dbraw/zinc/63/77/52/1073637752.db2.gz WXSDROHJURUIMZ-ZIAGYGMSSA-N 0 1 408.455 0.949 20 5 HCBDMN C[C@@H](CN1CCOCC1)Nc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000603856981 1073645810 /nfs/dbraw/zinc/64/58/10/1073645810.db2.gz JLZAUCFUDHWITR-AWEZNQCLSA-N 0 1 415.516 0.567 20 5 HCBDMN C[C@H](CN1CCOCC1)Nc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000603856982 1073645977 /nfs/dbraw/zinc/64/59/77/1073645977.db2.gz JLZAUCFUDHWITR-CQSZACIVSA-N 0 1 415.516 0.567 20 5 HCBDMN C[C@H](CN1CCCC1=O)Nc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000603871646 1073648616 /nfs/dbraw/zinc/64/86/16/1073648616.db2.gz XLBCJOLEUDQDPF-CYBMUJFWSA-N 0 1 413.500 0.858 20 5 HCBDMN C[C@@H](CN1CCCC1=O)Nc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000603871647 1073648885 /nfs/dbraw/zinc/64/88/85/1073648885.db2.gz XLBCJOLEUDQDPF-ZDUSSCGKSA-N 0 1 413.500 0.858 20 5 HCBDMN COc1ccc(C(=O)NCC(=O)N2CCC(CN3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000603907175 1073661712 /nfs/dbraw/zinc/66/17/12/1073661712.db2.gz XMLIIQTZRDWNIO-UHFFFAOYSA-N 0 1 420.466 0.904 20 5 HCBDMN O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000603922371 1073667506 /nfs/dbraw/zinc/66/75/06/1073667506.db2.gz PSMAVIYXBWHUBK-UHFFFAOYSA-N 0 1 422.401 0.973 20 5 HCBDMN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H](c1nn[nH]n1)c1ccccc1 ZINC000604286127 1073759471 /nfs/dbraw/zinc/75/94/71/1073759471.db2.gz NPJVHECFUQXPEE-KRWDZBQOSA-N 0 1 409.362 0.739 20 5 HCBDMN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H](c1nn[nH]n1)c1ccccc1 ZINC000604286128 1073759408 /nfs/dbraw/zinc/75/94/08/1073759408.db2.gz NPJVHECFUQXPEE-QGZVFWFLSA-N 0 1 409.362 0.739 20 5 HCBDMN CN(C)CC(=O)N1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000604437123 1073807071 /nfs/dbraw/zinc/80/70/71/1073807071.db2.gz UNJDLTFAKWMBGM-UHFFFAOYSA-N 0 1 409.468 0.018 20 5 HCBDMN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000604460879 1073810752 /nfs/dbraw/zinc/81/07/52/1073810752.db2.gz MZNWPCMUFYVXJI-UHFFFAOYSA-N 0 1 412.428 0.439 20 5 HCBDMN COCCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000604468725 1073807950 /nfs/dbraw/zinc/80/79/50/1073807950.db2.gz SLRCHAJCBCAEJE-UHFFFAOYSA-N 0 1 414.484 0.396 20 5 HCBDMN O=[N+]([O-])c1ccc(NCCO)c(NS(=O)(=O)c2cccc(-n3cnnn3)c2)c1 ZINC000604479984 1073809062 /nfs/dbraw/zinc/80/90/62/1073809062.db2.gz UYNRTSYWARPSNH-UHFFFAOYSA-N 0 1 405.396 0.776 20 5 HCBDMN CN(C)CCNS(=O)(=O)c1ccc(NCC(=O)NC2CCCC2)c([N+](=O)[O-])c1 ZINC000604501982 1073813283 /nfs/dbraw/zinc/81/32/83/1073813283.db2.gz GGPZCCSSBBCTMP-UHFFFAOYSA-N 0 1 413.500 0.905 20 5 HCBDMN Cc1[nH]nc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1[N+](=O)[O-] ZINC000604510544 1073813784 /nfs/dbraw/zinc/81/37/84/1073813784.db2.gz OMWQCHSRDDSUOE-UHFFFAOYSA-N 0 1 403.424 0.654 20 5 HCBDMN NS(=O)(=O)c1ccc(O)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000604510691 1073813803 /nfs/dbraw/zinc/81/38/03/1073813803.db2.gz RJDBAUMWOVXZSC-UHFFFAOYSA-N 0 1 407.408 0.305 20 5 HCBDMN Cc1[nH]nc(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1[N+](=O)[O-] ZINC000604546857 1073817400 /nfs/dbraw/zinc/81/74/00/1073817400.db2.gz LYABNLKPQGLYEW-UHFFFAOYSA-N 0 1 419.423 0.649 20 5 HCBDMN Cc1nc2n(n1)C[C@H](Nc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-])CC2 ZINC000608909476 1074518639 /nfs/dbraw/zinc/51/86/39/1074518639.db2.gz SDAKQZPRACPBFN-CYBMUJFWSA-N 0 1 423.499 0.762 20 5 HCBDMN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000609045468 1074534571 /nfs/dbraw/zinc/53/45/71/1074534571.db2.gz PJBAOMFDVQRPBH-UHFFFAOYSA-N 0 1 408.440 0.497 20 5 HCBDMN CS(=O)(=O)c1cc(C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc([N+](=O)[O-])c1 ZINC000609077583 1074813317 /nfs/dbraw/zinc/81/33/17/1074813317.db2.gz XVUZWYNBNHOWDX-GFCCVEGCSA-N 0 1 412.468 0.316 20 5 HCBDMN CS(=O)(=O)c1cc(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc([N+](=O)[O-])c1 ZINC000609077585 1074813246 /nfs/dbraw/zinc/81/32/46/1074813246.db2.gz XVUZWYNBNHOWDX-LBPRGKRZSA-N 0 1 412.468 0.316 20 5 HCBDMN O=C(CCn1cc([N+](=O)[O-])cn1)NCCCCN1CCN(c2ncccn2)CC1 ZINC000609176629 1077447463 /nfs/dbraw/zinc/44/74/63/1077447463.db2.gz MVRLDQNRQFQXOZ-UHFFFAOYSA-N 0 1 402.459 0.690 20 5 HCBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCCN1CCN(c2ncccn2)CC1 ZINC000609176710 1077447425 /nfs/dbraw/zinc/44/74/25/1077447425.db2.gz NODFPPNJOMGPQW-UHFFFAOYSA-N 0 1 416.486 0.998 20 5 HCBDMN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCCCN1CCN(c2ncccn2)CC1 ZINC000609176721 1077447406 /nfs/dbraw/zinc/44/74/06/1077447406.db2.gz NYHREUNYEKKVAN-UHFFFAOYSA-N 0 1 415.454 0.265 20 5 HCBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCCN1CCN(c2ncccn2)CC1 ZINC000609177398 1077449034 /nfs/dbraw/zinc/44/90/34/1077449034.db2.gz ZOEJBBWGPVDQAQ-UHFFFAOYSA-N 0 1 402.459 0.608 20 5 HCBDMN CC(C)(O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609284672 1078563392 /nfs/dbraw/zinc/56/33/92/1078563392.db2.gz QFXSKQLTQRVGII-UHFFFAOYSA-N 0 1 414.484 0.178 20 5 HCBDMN O=C(NCC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000609285011 1078556278 /nfs/dbraw/zinc/55/62/78/1078556278.db2.gz CGVSESSEDWBPJH-IAGOWNOFSA-N 0 1 405.455 0.452 20 5 HCBDMN O=C(NCC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000609285013 1078556417 /nfs/dbraw/zinc/55/64/17/1078556417.db2.gz CGVSESSEDWBPJH-IRXDYDNUSA-N 0 1 405.455 0.452 20 5 HCBDMN O=C(NCC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000609285015 1078557227 /nfs/dbraw/zinc/55/72/27/1078557227.db2.gz CGVSESSEDWBPJH-SJORKVTESA-N 0 1 405.455 0.452 20 5 HCBDMN COc1ccc(C(=O)NCC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000609285218 1078550275 /nfs/dbraw/zinc/55/02/75/1078550275.db2.gz SUBPQNPAOGRQLH-GDBMZVCRSA-N 0 1 406.439 0.391 20 5 HCBDMN COc1ccc(C(=O)NCC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000609285223 1078549725 /nfs/dbraw/zinc/54/97/25/1078549725.db2.gz SUBPQNPAOGRQLH-GOEBONIOSA-N 0 1 406.439 0.391 20 5 HCBDMN COc1ccc(C(=O)NCC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000609285224 1078549745 /nfs/dbraw/zinc/54/97/45/1078549745.db2.gz SUBPQNPAOGRQLH-HOCLYGCPSA-N 0 1 406.439 0.391 20 5 HCBDMN COc1ccc(C(=O)NCC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000609285225 1078549811 /nfs/dbraw/zinc/54/98/11/1078549811.db2.gz SUBPQNPAOGRQLH-ZBFHGGJFSA-N 0 1 406.439 0.391 20 5 HCBDMN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000609285497 1078604981 /nfs/dbraw/zinc/60/49/81/1078604981.db2.gz KBBKPNKEBAMHCG-DZGCQCFKSA-N 0 1 402.407 0.248 20 5 HCBDMN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000609285498 1078605277 /nfs/dbraw/zinc/60/52/77/1078605277.db2.gz KBBKPNKEBAMHCG-HIFRSBDPSA-N 0 1 402.407 0.248 20 5 HCBDMN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000609285501 1078605286 /nfs/dbraw/zinc/60/52/86/1078605286.db2.gz KBBKPNKEBAMHCG-UKRRQHHQSA-N 0 1 402.407 0.248 20 5 HCBDMN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000609286122 1078573504 /nfs/dbraw/zinc/57/35/04/1078573504.db2.gz YDTMGVDFMUHHEJ-GDBMZVCRSA-N 0 1 404.423 0.378 20 5 HCBDMN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000609286124 1078584276 /nfs/dbraw/zinc/58/42/76/1078584276.db2.gz YDTMGVDFMUHHEJ-GOEBONIOSA-N 0 1 404.423 0.378 20 5 HCBDMN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000609286125 1078584846 /nfs/dbraw/zinc/58/48/46/1078584846.db2.gz YDTMGVDFMUHHEJ-HOCLYGCPSA-N 0 1 404.423 0.378 20 5 HCBDMN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000609286126 1078578068 /nfs/dbraw/zinc/57/80/68/1078578068.db2.gz YDTMGVDFMUHHEJ-ZBFHGGJFSA-N 0 1 404.423 0.378 20 5 HCBDMN C[C@@H](CN1CCN(C)CC1)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609311463 1079126420 /nfs/dbraw/zinc/12/64/20/1079126420.db2.gz HNERRNMSJFQZFV-AWEZNQCLSA-N 0 1 413.500 0.015 20 5 HCBDMN C[C@H](CN1CCN(C)CC1)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609311464 1079126454 /nfs/dbraw/zinc/12/64/54/1079126454.db2.gz HNERRNMSJFQZFV-CQSZACIVSA-N 0 1 413.500 0.015 20 5 HCBDMN CCN1CCN([C@@H]2CCN(C(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000609311708 1079126382 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/nfs/dbraw/zinc/24/85/06/1079248506.db2.gz KAVWNDYGHSDJQR-OAHLLOKOSA-N 0 1 401.427 0.554 20 5 HCBDMN NC(=O)[C@@H]1CCCN1CCCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000609352136 1079248705 /nfs/dbraw/zinc/24/87/05/1079248705.db2.gz NHDIDEJYXKIBIF-HNNXBMFYSA-N 0 1 419.438 0.739 20 5 HCBDMN NC(=O)[C@H]1CCCN1CCCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000609352142 1079248557 /nfs/dbraw/zinc/24/85/57/1079248557.db2.gz NHDIDEJYXKIBIF-OAHLLOKOSA-N 0 1 419.438 0.739 20 5 HCBDMN NC(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000609355259 1079249151 /nfs/dbraw/zinc/24/91/51/1079249151.db2.gz UVBZPZOUJZJFHK-KRWDZBQOSA-N 0 1 404.471 0.766 20 5 HCBDMN NC(=O)[C@H]1CCCN1CCCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000609355260 1079249244 /nfs/dbraw/zinc/24/92/44/1079249244.db2.gz UVBZPZOUJZJFHK-QGZVFWFLSA-N 0 1 404.471 0.766 20 5 HCBDMN CCCc1[nH]nc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000609473670 1079273054 /nfs/dbraw/zinc/27/30/54/1079273054.db2.gz WXPCCIJWQBLRDT-UHFFFAOYSA-N 0 1 408.440 0.812 20 5 HCBDMN CCCc1[nH]nc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1[N+](=O)[O-] ZINC000609476634 1079273574 /nfs/dbraw/zinc/27/35/74/1079273574.db2.gz QAAGIVGZPRRFLT-UHFFFAOYSA-N 0 1 422.467 0.880 20 5 HCBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NCc2nn[nH]n2)CC1 ZINC000609489193 1079275401 /nfs/dbraw/zinc/27/54/01/1079275401.db2.gz WPGNTTMTMDWESD-UHFFFAOYSA-N 0 1 409.428 0.133 20 5 HCBDMN CC(=O)N1CCN(c2ccc(C(=O)NC[C@H]3CN(C)CCN3C)cc2[N+](=O)[O-])CC1 ZINC000609489206 1079275496 /nfs/dbraw/zinc/27/54/96/1079275496.db2.gz XBUCJNNHTDXDHY-KRWDZBQOSA-N 0 1 418.498 0.239 20 5 HCBDMN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc(C)[nH]3)CC2)cc1[N+](=O)[O-] ZINC000609491418 1079275889 /nfs/dbraw/zinc/27/58/89/1079275889.db2.gz RBIWYWNVUHTTFY-UHFFFAOYSA-N 0 1 409.424 0.782 20 5 HCBDMN CN1CCN(C)[C@@H](CNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000609517184 1079279335 /nfs/dbraw/zinc/27/93/35/1079279335.db2.gz XPHANUCYZMTHAM-AWEZNQCLSA-N 0 1 413.500 0.273 20 5 HCBDMN CN1CCN(C)[C@H](CNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000609517186 1079279885 /nfs/dbraw/zinc/27/98/85/1079279885.db2.gz XPHANUCYZMTHAM-CQSZACIVSA-N 0 1 413.500 0.273 20 5 HCBDMN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000609519183 1079280676 /nfs/dbraw/zinc/28/06/76/1079280676.db2.gz IOKIJHYMKHXKCO-ILXRZTDVSA-N 0 1 406.439 0.850 20 5 HCBDMN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000609519184 1079280719 /nfs/dbraw/zinc/28/07/19/1079280719.db2.gz IOKIJHYMKHXKCO-KKUMJFAQSA-N 0 1 406.439 0.850 20 5 HCBDMN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000609519185 1079280816 /nfs/dbraw/zinc/28/08/16/1079280816.db2.gz IOKIJHYMKHXKCO-QLFBSQMISA-N 0 1 406.439 0.850 20 5 HCBDMN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000609519186 1079280865 /nfs/dbraw/zinc/28/08/65/1079280865.db2.gz IOKIJHYMKHXKCO-SOUVJXGZSA-N 0 1 406.439 0.850 20 5 HCBDMN NC(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000609522988 1079282337 /nfs/dbraw/zinc/28/23/37/1079282337.db2.gz YETNIPNAHSWMKP-CHWSQXEVSA-N 0 1 407.427 0.248 20 5 HCBDMN NC(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000609522989 1079282207 /nfs/dbraw/zinc/28/22/07/1079282207.db2.gz YETNIPNAHSWMKP-OLZOCXBDSA-N 0 1 407.427 0.248 20 5 HCBDMN NC(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000609522990 1079282257 /nfs/dbraw/zinc/28/22/57/1079282257.db2.gz YETNIPNAHSWMKP-QWHCGFSZSA-N 0 1 407.427 0.248 20 5 HCBDMN NC(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000609522991 1079282717 /nfs/dbraw/zinc/28/27/17/1079282717.db2.gz YETNIPNAHSWMKP-STQMWFEESA-N 0 1 407.427 0.248 20 5 HCBDMN CN(C)CCNS(=O)(=O)c1ccc(N(C)CCN2CCCC2=O)c([N+](=O)[O-])c1 ZINC000609578021 1078485017 /nfs/dbraw/zinc/48/50/17/1078485017.db2.gz MHELDKWPNNQNNR-UHFFFAOYSA-N 0 1 413.500 0.493 20 5 HCBDMN Cc1[nH]nc(C(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)c1[N+](=O)[O-] ZINC000609664421 1078504533 /nfs/dbraw/zinc/50/45/33/1078504533.db2.gz VXMNRDKWCKKDME-UHFFFAOYSA-N 0 1 421.435 0.628 20 5 HCBDMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609667989 1078507682 /nfs/dbraw/zinc/50/76/82/1078507682.db2.gz CJSQNVFSKJDXPO-INIZCTEOSA-N 0 1 414.466 0.917 20 5 HCBDMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609667990 1078507757 /nfs/dbraw/zinc/50/77/57/1078507757.db2.gz CJSQNVFSKJDXPO-MRXNPFEDSA-N 0 1 414.466 0.917 20 5 HCBDMN CCOC(=O)c1cc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000609668005 1078507888 /nfs/dbraw/zinc/50/78/88/1078507888.db2.gz DFFONISXPYYHFC-KRWDZBQOSA-N 0 1 420.466 0.908 20 5 HCBDMN CCOC(=O)c1cc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000609668007 1078507346 /nfs/dbraw/zinc/50/73/46/1078507346.db2.gz DFFONISXPYYHFC-QGZVFWFLSA-N 0 1 420.466 0.908 20 5 HCBDMN COc1cc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000609668088 1078508004 /nfs/dbraw/zinc/50/80/04/1078508004.db2.gz GEDRQNKVKDHUFC-AWEZNQCLSA-N 0 1 408.455 0.748 20 5 HCBDMN COc1cc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000609668092 1078507713 /nfs/dbraw/zinc/50/77/13/1078507713.db2.gz GEDRQNKVKDHUFC-CQSZACIVSA-N 0 1 408.455 0.748 20 5 HCBDMN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000609668108 1078507828 /nfs/dbraw/zinc/50/78/28/1078507828.db2.gz GLTUDPOFFBQYHE-DOTOQJQBSA-N 0 1 419.482 0.236 20 5 HCBDMN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000609668111 1078507781 /nfs/dbraw/zinc/50/77/81/1078507781.db2.gz GLTUDPOFFBQYHE-NVXWUHKLSA-N 0 1 419.482 0.236 20 5 HCBDMN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000609668112 1078507510 /nfs/dbraw/zinc/50/75/10/1078507510.db2.gz GLTUDPOFFBQYHE-RDJZCZTQSA-N 0 1 419.482 0.236 20 5 HCBDMN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000609668113 1078507410 /nfs/dbraw/zinc/50/74/10/1078507410.db2.gz GLTUDPOFFBQYHE-WBVHZDCISA-N 0 1 419.482 0.236 20 5 HCBDMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609668191 1078507851 /nfs/dbraw/zinc/50/78/51/1078507851.db2.gz JEDLBNRIPPLHHW-INIZCTEOSA-N 0 1 414.466 0.917 20 5 HCBDMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609668192 1078507641 /nfs/dbraw/zinc/50/76/41/1078507641.db2.gz JEDLBNRIPPLHHW-MRXNPFEDSA-N 0 1 414.466 0.917 20 5 HCBDMN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000609668205 1078506745 /nfs/dbraw/zinc/50/67/45/1078506745.db2.gz JTZPSCKPDRFIGW-KRWDZBQOSA-N 0 1 419.482 0.237 20 5 HCBDMN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000609668206 1078507925 /nfs/dbraw/zinc/50/79/25/1078507925.db2.gz JTZPSCKPDRFIGW-QGZVFWFLSA-N 0 1 419.482 0.237 20 5 HCBDMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000609668228 1078507463 /nfs/dbraw/zinc/50/74/63/1078507463.db2.gz KKFNBMGKYVHNMG-KRWDZBQOSA-N 0 1 414.466 0.917 20 5 HCBDMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000609668229 1078507603 /nfs/dbraw/zinc/50/76/03/1078507603.db2.gz KKFNBMGKYVHNMG-QGZVFWFLSA-N 0 1 414.466 0.917 20 5 HCBDMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000609668399 1078506531 /nfs/dbraw/zinc/50/65/31/1078506531.db2.gz ONBVFHWNAIWUDF-AWEZNQCLSA-N 0 1 406.439 0.502 20 5 HCBDMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000609668400 1078506915 /nfs/dbraw/zinc/50/69/15/1078506915.db2.gz ONBVFHWNAIWUDF-CQSZACIVSA-N 0 1 406.439 0.502 20 5 HCBDMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000609668435 1078506856 /nfs/dbraw/zinc/50/68/56/1078506856.db2.gz QGSGVYNLWMZKBS-KRWDZBQOSA-N 0 1 414.466 0.917 20 5 HCBDMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000609668436 1078506664 /nfs/dbraw/zinc/50/66/64/1078506664.db2.gz QGSGVYNLWMZKBS-QGZVFWFLSA-N 0 1 414.466 0.917 20 5 HCBDMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609668641 1078506979 /nfs/dbraw/zinc/50/69/79/1078506979.db2.gz VJDIQVJONKBKNP-AWEZNQCLSA-N 0 1 406.439 0.502 20 5 HCBDMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609668642 1078506702 /nfs/dbraw/zinc/50/67/02/1078506702.db2.gz VJDIQVJONKBKNP-CQSZACIVSA-N 0 1 406.439 0.502 20 5 HCBDMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000609668683 1078507807 /nfs/dbraw/zinc/50/78/07/1078507807.db2.gz XJEGBTKWEUSYJI-HNNXBMFYSA-N 0 1 415.454 0.312 20 5 HCBDMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000609668684 1078507967 /nfs/dbraw/zinc/50/79/67/1078507967.db2.gz XJEGBTKWEUSYJI-OAHLLOKOSA-N 0 1 415.454 0.312 20 5 HCBDMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000609668720 1078508792 /nfs/dbraw/zinc/50/87/92/1078508792.db2.gz YRPUMHBTEVTYQD-INIZCTEOSA-N 0 1 415.454 0.312 20 5 HCBDMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000609668721 1078508581 /nfs/dbraw/zinc/50/85/81/1078508581.db2.gz YRPUMHBTEVTYQD-MRXNPFEDSA-N 0 1 415.454 0.312 20 5 HCBDMN COc1cc(OCC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000609668722 1078508462 /nfs/dbraw/zinc/50/84/62/1078508462.db2.gz YUEUBRAPEOAKGG-HNNXBMFYSA-N 0 1 408.455 0.505 20 5 HCBDMN COc1cc(OCC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000609668723 1078508681 /nfs/dbraw/zinc/50/86/81/1078508681.db2.gz YUEUBRAPEOAKGG-OAHLLOKOSA-N 0 1 408.455 0.505 20 5 HCBDMN COC(=O)c1cc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000609668757 1078508847 /nfs/dbraw/zinc/50/88/47/1078508847.db2.gz ZSPUMSVGTDVMFZ-MRXNPFEDSA-N 0 1 406.439 0.518 20 5 HCBDMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609681468 1078514820 /nfs/dbraw/zinc/51/48/20/1078514820.db2.gz NDXZBMRYVRAXFB-AWEZNQCLSA-N 0 1 415.450 0.985 20 5 HCBDMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609681469 1078515326 /nfs/dbraw/zinc/51/53/26/1078515326.db2.gz NDXZBMRYVRAXFB-CQSZACIVSA-N 0 1 415.450 0.985 20 5 HCBDMN COc1ccc(CNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000609684844 1078516181 /nfs/dbraw/zinc/51/61/81/1078516181.db2.gz KHXOSJOVOJBJHC-INIZCTEOSA-N 0 1 407.471 0.809 20 5 HCBDMN COc1ccc(CNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000609684845 1078515906 /nfs/dbraw/zinc/51/59/06/1078515906.db2.gz KHXOSJOVOJBJHC-MRXNPFEDSA-N 0 1 407.471 0.809 20 5 HCBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000609685054 1078516215 /nfs/dbraw/zinc/51/62/15/1078516215.db2.gz PPEZQNJTEYQXNT-INIZCTEOSA-N 0 1 407.471 0.809 20 5 HCBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000609685055 1078515820 /nfs/dbraw/zinc/51/58/20/1078515820.db2.gz PPEZQNJTEYQXNT-MRXNPFEDSA-N 0 1 407.471 0.809 20 5 HCBDMN O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000609685286 1078515357 /nfs/dbraw/zinc/51/53/57/1078515357.db2.gz RQBUVTSVYOVUOQ-KRWDZBQOSA-N 0 1 406.487 0.712 20 5 HCBDMN O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000609685296 1078515230 /nfs/dbraw/zinc/51/52/30/1078515230.db2.gz RQBUVTSVYOVUOQ-QGZVFWFLSA-N 0 1 406.487 0.712 20 5 HCBDMN O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000609685389 1078514772 /nfs/dbraw/zinc/51/47/72/1078514772.db2.gz UZAGEALTKJDVJS-INIZCTEOSA-N 0 1 406.487 0.712 20 5 HCBDMN O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000609685391 1078515266 /nfs/dbraw/zinc/51/52/66/1078515266.db2.gz UZAGEALTKJDVJS-MRXNPFEDSA-N 0 1 406.487 0.712 20 5 HCBDMN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000609685935 1078516573 /nfs/dbraw/zinc/51/65/73/1078516573.db2.gz AUABKQNKGKAKQQ-INIZCTEOSA-N 0 1 407.471 0.679 20 5 HCBDMN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000609685936 1078516754 /nfs/dbraw/zinc/51/67/54/1078516754.db2.gz AUABKQNKGKAKQQ-MRXNPFEDSA-N 0 1 407.471 0.679 20 5 HCBDMN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(C2CCC2)CC1 ZINC000609748042 1078530559 /nfs/dbraw/zinc/53/05/59/1078530559.db2.gz LFOURYXQRFWDPV-UHFFFAOYSA-N 0 1 411.484 0.753 20 5 HCBDMN CCCc1[nH]nc(C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000609771674 1078536078 /nfs/dbraw/zinc/53/60/78/1078536078.db2.gz VVOFSQKGISOBSX-CYBMUJFWSA-N 0 1 408.459 0.276 20 5 HCBDMN CCCc1[nH]nc(C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000609771675 1078535594 /nfs/dbraw/zinc/53/55/94/1078535594.db2.gz VVOFSQKGISOBSX-ZDUSSCGKSA-N 0 1 408.459 0.276 20 5 HCBDMN Cc1nc(CN2CCN(C(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000609835696 1078547990 /nfs/dbraw/zinc/54/79/90/1078547990.db2.gz DDTWUONOBJAMOL-UHFFFAOYSA-N 0 1 421.845 0.749 20 5 HCBDMN Cc1nc(CN2CCN(C(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000609835704 1078548403 /nfs/dbraw/zinc/54/84/03/1078548403.db2.gz FUVQVCKBYNIMBR-GFCCVEGCSA-N 0 1 401.427 0.484 20 5 HCBDMN Cc1nc(CN2CCN(C(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000609835705 1078548619 /nfs/dbraw/zinc/54/86/19/1078548619.db2.gz FUVQVCKBYNIMBR-LBPRGKRZSA-N 0 1 401.427 0.484 20 5 HCBDMN Cc1c(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609840897 1078555951 /nfs/dbraw/zinc/55/59/51/1078555951.db2.gz VGZBHYKVRMPKDZ-RYUDHWBXSA-N 0 1 414.484 0.780 20 5 HCBDMN Cc1c(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609840898 1078555880 /nfs/dbraw/zinc/55/58/80/1078555880.db2.gz VGZBHYKVRMPKDZ-TXEJJXNPSA-N 0 1 414.484 0.780 20 5 HCBDMN Cc1c(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609840899 1078555959 /nfs/dbraw/zinc/55/59/59/1078555959.db2.gz VGZBHYKVRMPKDZ-VXGBXAGGSA-N 0 1 414.484 0.780 20 5 HCBDMN Cc1c(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609842019 1078555908 /nfs/dbraw/zinc/55/59/08/1078555908.db2.gz XNVVKNIZWBFCEN-CYBMUJFWSA-N 0 1 414.484 0.637 20 5 HCBDMN Cc1c(C(=O)NC[C@H]2CN(CC(C)C)CCO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609842020 1078556196 /nfs/dbraw/zinc/55/61/96/1078556196.db2.gz XNVVKNIZWBFCEN-ZDUSSCGKSA-N 0 1 414.484 0.637 20 5 HCBDMN Cc1c(C(=O)NCCCCN2CCOCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609842238 1078555993 /nfs/dbraw/zinc/55/59/93/1078555993.db2.gz TYJNTSVJUJRDJT-UHFFFAOYSA-N 0 1 400.457 0.393 20 5 HCBDMN CN(CCCN1CCN(C)CC1)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609851083 1078553400 /nfs/dbraw/zinc/55/34/00/1078553400.db2.gz ZDWHTWVGQMZZOT-UHFFFAOYSA-N 0 1 414.484 0.624 20 5 HCBDMN Cc1nc(CN2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)n[nH]1 ZINC000609855004 1078553901 /nfs/dbraw/zinc/55/39/01/1078553901.db2.gz CKQMLVZYSGABJY-UHFFFAOYSA-N 0 1 415.410 0.091 20 5 HCBDMN Cc1nc(CN2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)n[nH]1 ZINC000609880934 1078558866 /nfs/dbraw/zinc/55/88/66/1078558866.db2.gz ODOLBEGELHCQRC-CYBMUJFWSA-N 0 1 417.426 0.563 20 5 HCBDMN Cc1nc(CN2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)n[nH]1 ZINC000609880935 1078558955 /nfs/dbraw/zinc/55/89/55/1078558955.db2.gz ODOLBEGELHCQRC-ZDUSSCGKSA-N 0 1 417.426 0.563 20 5 HCBDMN CN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C(C)(C)CO ZINC000609894946 1078561782 /nfs/dbraw/zinc/56/17/82/1078561782.db2.gz RCDCVBISAIKZQG-UHFFFAOYSA-N 0 1 414.484 0.130 20 5 HCBDMN CN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)CO ZINC000609894973 1078561668 /nfs/dbraw/zinc/56/16/68/1078561668.db2.gz UHWFSSJAYNTOHK-UHFFFAOYSA-N 0 1 414.484 0.130 20 5 HCBDMN CN(C)CCNS(=O)(=O)c1ccc(NC[C@H](O)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000609914793 1078560365 /nfs/dbraw/zinc/56/03/65/1078560365.db2.gz ZDLQCSAGIJTRMO-KRWDZBQOSA-N 0 1 416.500 0.634 20 5 HCBDMN CN(C)CCNS(=O)(=O)c1ccc(NC[C@@H](O)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000609914794 1078560345 /nfs/dbraw/zinc/56/03/45/1078560345.db2.gz ZDLQCSAGIJTRMO-QGZVFWFLSA-N 0 1 416.500 0.634 20 5 HCBDMN COCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000609946549 1078579603 /nfs/dbraw/zinc/57/96/03/1078579603.db2.gz CVBJSGOPSBMHRO-CYBMUJFWSA-N 0 1 422.438 0.922 20 5 HCBDMN COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000609946550 1078579564 /nfs/dbraw/zinc/57/95/64/1078579564.db2.gz CVBJSGOPSBMHRO-ZDUSSCGKSA-N 0 1 422.438 0.922 20 5 HCBDMN CN(C)C(=O)c1cc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccn1 ZINC000609959824 1078575078 /nfs/dbraw/zinc/57/50/78/1078575078.db2.gz UQFRGTQIIODXMJ-UHFFFAOYSA-N 0 1 408.392 0.686 20 5 HCBDMN COCCN1CCCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609987153 1078583144 /nfs/dbraw/zinc/58/31/44/1078583144.db2.gz FUONEVITBGHKQQ-UHFFFAOYSA-N 0 1 414.484 0.396 20 5 HCBDMN CN(CC(=O)N1CCN(CC(C)(C)O)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609988592 1078583086 /nfs/dbraw/zinc/58/30/86/1078583086.db2.gz NJAGNSBDHPHVLH-UHFFFAOYSA-N 0 1 414.484 0.130 20 5 HCBDMN CCCc1[nH]nc(C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)c1[N+](=O)[O-] ZINC000609989114 1078591933 /nfs/dbraw/zinc/59/19/33/1078591933.db2.gz BDZXOLQGXIKASI-UHFFFAOYSA-N 0 1 408.444 0.518 20 5 HCBDMN CN(CC(=O)NCCCCN1CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609991195 1078593013 /nfs/dbraw/zinc/59/30/13/1078593013.db2.gz JLCWMJPJCPHLSI-UHFFFAOYSA-N 0 1 414.484 0.444 20 5 HCBDMN Cc1n[nH]c(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1[N+](=O)[O-] ZINC000610003434 1078589870 /nfs/dbraw/zinc/58/98/70/1078589870.db2.gz DRVFFGYPTHZJIR-UHFFFAOYSA-N 0 1 402.415 0.215 20 5 HCBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610003445 1078590128 /nfs/dbraw/zinc/59/01/28/1078590128.db2.gz FPUYWZFORLXYGP-INIZCTEOSA-N 0 1 413.500 0.843 20 5 HCBDMN CC(C)[C@H]1CN(C)CCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610003446 1078590094 /nfs/dbraw/zinc/59/00/94/1078590094.db2.gz FPUYWZFORLXYGP-MRXNPFEDSA-N 0 1 413.500 0.843 20 5 HCBDMN Cc1cc(CNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000610011713 1078594469 /nfs/dbraw/zinc/59/44/69/1078594469.db2.gz PTPZIYCZJSMQQJ-UHFFFAOYSA-N 0 1 408.440 0.842 20 5 HCBDMN Cc1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000610011717 1078594517 /nfs/dbraw/zinc/59/45/17/1078594517.db2.gz PZZVCDLYXWHVSW-UHFFFAOYSA-N 0 1 408.440 0.842 20 5 HCBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000610024117 1078596307 /nfs/dbraw/zinc/59/63/07/1078596307.db2.gz JHYAQJHTNXQKSY-INIZCTEOSA-N 0 1 413.500 0.855 20 5 HCBDMN CC(C)[C@H]1CN(C)CCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000610024118 1078596232 /nfs/dbraw/zinc/59/62/32/1078596232.db2.gz JHYAQJHTNXQKSY-MRXNPFEDSA-N 0 1 413.500 0.855 20 5 HCBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000610024430 1078596347 /nfs/dbraw/zinc/59/63/47/1078596347.db2.gz MDICUVZOSOBFGA-INIZCTEOSA-N 0 1 413.500 0.855 20 5 HCBDMN CC(C)[C@H]1CN(C)CCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000610024431 1078596259 /nfs/dbraw/zinc/59/62/59/1078596259.db2.gz MDICUVZOSOBFGA-MRXNPFEDSA-N 0 1 413.500 0.855 20 5 HCBDMN Cc1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000610026445 1078597224 /nfs/dbraw/zinc/59/72/24/1078597224.db2.gz VZZIAUCOEBDTII-UHFFFAOYSA-N 0 1 408.440 0.842 20 5 HCBDMN C[C@H](CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCN(C)CC1 ZINC000610151185 1078639901 /nfs/dbraw/zinc/63/99/01/1078639901.db2.gz JMPGOLKFWABCLA-GFCCVEGCSA-N 0 1 400.457 0.280 20 5 HCBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000615315091 1078656695 /nfs/dbraw/zinc/65/66/95/1078656695.db2.gz BHDHWOJZVOHRGU-HNNXBMFYSA-N 0 1 405.455 0.364 20 5 HCBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000615315093 1078656638 /nfs/dbraw/zinc/65/66/38/1078656638.db2.gz BHDHWOJZVOHRGU-OAHLLOKOSA-N 0 1 405.455 0.364 20 5 HCBDMN COc1ccc(NC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000615315726 1078657879 /nfs/dbraw/zinc/65/78/79/1078657879.db2.gz NOVJJSWRLBTJBI-OAHLLOKOSA-N 0 1 421.454 0.065 20 5 HCBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000615315772 1078657301 /nfs/dbraw/zinc/65/73/01/1078657301.db2.gz QMPHMPGNYPLOIW-INIZCTEOSA-N 0 1 419.482 0.673 20 5 HCBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000615315777 1078657352 /nfs/dbraw/zinc/65/73/52/1078657352.db2.gz QMPHMPGNYPLOIW-MRXNPFEDSA-N 0 1 419.482 0.673 20 5 HCBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000615315815 1078657416 /nfs/dbraw/zinc/65/74/16/1078657416.db2.gz RSHHVLXYIJMVGH-AWEZNQCLSA-N 0 1 421.454 0.065 20 5 HCBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000615315818 1078657397 /nfs/dbraw/zinc/65/73/97/1078657397.db2.gz RSHHVLXYIJMVGH-CQSZACIVSA-N 0 1 421.454 0.065 20 5 HCBDMN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000615315896 1078657364 /nfs/dbraw/zinc/65/73/64/1078657364.db2.gz VHDXJVPQQGDQGD-MRXNPFEDSA-N 0 1 405.455 0.364 20 5 HCBDMN Cc1c(NC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000615315925 1078657212 /nfs/dbraw/zinc/65/72/12/1078657212.db2.gz WHCMZCRLBJZCGF-HNNXBMFYSA-N 0 1 405.455 0.364 20 5 HCBDMN Cc1c(NC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000615315928 1078657196 /nfs/dbraw/zinc/65/71/96/1078657196.db2.gz WHCMZCRLBJZCGF-OAHLLOKOSA-N 0 1 405.455 0.364 20 5 HCBDMN CCCc1[nH]nc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c1[N+](=O)[O-] ZINC000615489018 1078672453 /nfs/dbraw/zinc/67/24/53/1078672453.db2.gz VRJRANZQPFUAGY-UHFFFAOYSA-N 0 1 422.467 0.880 20 5 HCBDMN NS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000615489027 1078672448 /nfs/dbraw/zinc/67/24/48/1078672448.db2.gz XBTYPLRYOKTSEF-UHFFFAOYSA-N 0 1 406.420 0.910 20 5 HCBDMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615691483 1078685029 /nfs/dbraw/zinc/68/50/29/1078685029.db2.gz BATRUNLADMMOEW-INIZCTEOSA-N 0 1 419.482 0.774 20 5 HCBDMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615691484 1078685045 /nfs/dbraw/zinc/68/50/45/1078685045.db2.gz BATRUNLADMMOEW-MRXNPFEDSA-N 0 1 419.482 0.774 20 5 HCBDMN CN(C)CCNS(=O)(=O)c1ccc(N2C[C@H](O)CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000615730225 1078687463 /nfs/dbraw/zinc/68/74/63/1078687463.db2.gz FEBIEHBNUFRCDP-LLVKDONJSA-N 0 1 408.427 0.641 20 5 HCBDMN CN(C)CCNS(=O)(=O)c1ccc(N2C[C@@H](O)CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000615730244 1078687589 /nfs/dbraw/zinc/68/75/89/1078687589.db2.gz FEBIEHBNUFRCDP-NSHDSACASA-N 0 1 408.427 0.641 20 5 HCBDMN CN(C)CCNS(=O)(=O)c1ccc(NC[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000616397187 1078748508 /nfs/dbraw/zinc/74/85/08/1078748508.db2.gz UYHYSOGXTUPNIE-GFCCVEGCSA-N 0 1 400.379 0.770 20 5 HCBDMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618815080 1078873783 /nfs/dbraw/zinc/87/37/83/1078873783.db2.gz SHJZJIPFFUWFTA-INIZCTEOSA-N 0 1 421.502 0.544 20 5 HCBDMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618815083 1078873804 /nfs/dbraw/zinc/87/38/04/1078873804.db2.gz SHJZJIPFFUWFTA-MRXNPFEDSA-N 0 1 421.502 0.544 20 5 HCBDMN COCCNC(=O)Cn1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cn1 ZINC000619467722 1078900034 /nfs/dbraw/zinc/90/00/34/1078900034.db2.gz YVCJAOZOFJJQHQ-UHFFFAOYSA-N 0 1 413.412 0.363 20 5 HCBDMN CC(=O)N1CCCN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])CC1 ZINC000619512630 1078909232 /nfs/dbraw/zinc/90/92/32/1078909232.db2.gz KSWHRORJYVUZAY-UHFFFAOYSA-N 0 1 413.500 0.493 20 5 HCBDMN CN1CCN(CCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1 ZINC000619515864 1078909264 /nfs/dbraw/zinc/90/92/64/1078909264.db2.gz WPHGCGDBMVCWAX-UHFFFAOYSA-N 0 1 413.500 0.275 20 5 HCBDMN COCCN1CCN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])CC1 ZINC000619568903 1078914273 /nfs/dbraw/zinc/91/42/73/1078914273.db2.gz VIZULFJATOCVOY-UHFFFAOYSA-N 0 1 415.516 0.203 20 5 HCBDMN COC(=O)CN(CCN1CCN(C)CC1)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000619608049 1078920090 /nfs/dbraw/zinc/92/00/90/1078920090.db2.gz BYPWEOJPEUILCV-UHFFFAOYSA-N 0 1 408.455 0.395 20 5 HCBDMN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@H]1CN2CCN1CCC2 ZINC000619873531 1078951719 /nfs/dbraw/zinc/95/17/19/1078951719.db2.gz KYCVDXHHCZWTTO-HNNXBMFYSA-N 0 1 403.439 0.789 20 5 HCBDMN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CN2CCN1CCC2 ZINC000619873532 1078951876 /nfs/dbraw/zinc/95/18/76/1078951876.db2.gz KYCVDXHHCZWTTO-OAHLLOKOSA-N 0 1 403.439 0.789 20 5 HCBDMN Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000761396549 1075359271 /nfs/dbraw/zinc/35/92/71/1075359271.db2.gz FZYBQWUZGOZNLJ-UHFFFAOYSA-N 0 1 412.362 0.803 20 5 HCBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)CN(C)C)CC1 ZINC000762279923 1077835765 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RXZYJLMABWNZQG-IRXDYDNUSA-N 0 1 409.487 0.314 20 5 HCBDMN CN1CCN(C(C)(C)CNC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915882688 1078047347 /nfs/dbraw/zinc/04/73/47/1078047347.db2.gz RXZYJLMABWNZQG-SJORKVTESA-N 0 1 409.487 0.314 20 5 HCBDMN C[C@@H]1CN(CCCNC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000915882877 1078047323 /nfs/dbraw/zinc/04/73/23/1078047323.db2.gz VVYPZCSYTPPQKE-DTDBQYNISA-N 0 1 410.471 0.788 20 5 HCBDMN C[C@@H]1CN(CCCNC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000915882878 1078047303 /nfs/dbraw/zinc/04/73/03/1078047303.db2.gz VVYPZCSYTPPQKE-DTTOXWODSA-N 0 1 410.471 0.788 20 5 HCBDMN C[C@@H]1CN(CCCNC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000915882879 1078047420 /nfs/dbraw/zinc/04/74/20/1078047420.db2.gz VVYPZCSYTPPQKE-LTCOOKNTSA-N 0 1 410.471 0.788 20 5 HCBDMN C[C@@H]1CN(CCCNC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000915882880 1078047718 /nfs/dbraw/zinc/04/77/18/1078047718.db2.gz VVYPZCSYTPPQKE-NONVJHHQSA-N 0 1 410.471 0.788 20 5 HCBDMN CC(C)[C@H](CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1 ZINC000915882928 1078047607 /nfs/dbraw/zinc/04/76/07/1078047607.db2.gz XGQYUFKPEBVKOU-CEXWTWQISA-N 0 1 423.514 0.560 20 5 HCBDMN CC(C)[C@H](CNC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1 ZINC000915882929 1078047563 /nfs/dbraw/zinc/04/75/63/1078047563.db2.gz XGQYUFKPEBVKOU-FHWLQOOXSA-N 0 1 423.514 0.560 20 5 HCBDMN CC(C)[C@H](CNC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1 ZINC000915882930 1078047532 /nfs/dbraw/zinc/04/75/32/1078047532.db2.gz XGQYUFKPEBVKOU-GBESFXJTSA-N 0 1 423.514 0.560 20 5 HCBDMN CC(C)[C@H](CNC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1 ZINC000915882931 1078047627 /nfs/dbraw/zinc/04/76/27/1078047627.db2.gz XGQYUFKPEBVKOU-QYZOEREBSA-N 0 1 423.514 0.560 20 5 HCBDMN CC(C)CN1CCO[C@H](CNC(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000915884475 1078047822 /nfs/dbraw/zinc/04/78/22/1078047822.db2.gz ZXHUMMWMWGYUPW-FGTMMUONSA-N 0 1 410.471 0.645 20 5 HCBDMN CC(C)CN1CCO[C@H](CNC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000915884478 1078047875 /nfs/dbraw/zinc/04/78/75/1078047875.db2.gz ZXHUMMWMWGYUPW-KURKYZTESA-N 0 1 410.471 0.645 20 5 HCBDMN CC(C)CN1CCO[C@H](CNC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000915884479 1078048113 /nfs/dbraw/zinc/04/81/13/1078048113.db2.gz ZXHUMMWMWGYUPW-KZNAEPCWSA-N 0 1 410.471 0.645 20 5 HCBDMN CC(C)CN1CCO[C@H](CNC(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000915884480 1078048155 /nfs/dbraw/zinc/04/81/55/1078048155.db2.gz ZXHUMMWMWGYUPW-SQNIBIBYSA-N 0 1 410.471 0.645 20 5 HCBDMN C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)CC1 ZINC000917896157 1078344026 /nfs/dbraw/zinc/34/40/26/1078344026.db2.gz PPHZWFYUPNSEBL-UHFFFAOYSA-N 0 1 412.468 0.475 20 5 HCBDMN CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000919504825 1078892112 /nfs/dbraw/zinc/89/21/12/1078892112.db2.gz COQRZMZTVQXIMY-ZDUSSCGKSA-N 0 1 412.418 0.946 20 5 HCBDMN C[C@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000919520381 1078900804 /nfs/dbraw/zinc/90/08/04/1078900804.db2.gz RLUUAIQXODSFJU-DZGCQCFKSA-N 0 1 402.411 0.509 20 5 HCBDMN C[C@@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000919520382 1078900854 /nfs/dbraw/zinc/90/08/54/1078900854.db2.gz RLUUAIQXODSFJU-HIFRSBDPSA-N 0 1 402.411 0.509 20 5 HCBDMN C[C@@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000919520383 1078900752 /nfs/dbraw/zinc/90/07/52/1078900752.db2.gz RLUUAIQXODSFJU-UKRRQHHQSA-N 0 1 402.411 0.509 20 5 HCBDMN C[C@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000919520384 1078900733 /nfs/dbraw/zinc/90/07/33/1078900733.db2.gz RLUUAIQXODSFJU-ZFWWWQNUSA-N 0 1 402.411 0.509 20 5 HCBDMN CCN(CC)C(=O)CNc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000920760050 1079208331 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/nfs/dbraw/zinc/69/41/94/720694194.db2.gz PWPLGFHZUZGTER-NEPJUHHUSA-N 0 1 403.399 0.534 20 5 HCBDMN COc1nc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164740091 720693057 /nfs/dbraw/zinc/69/30/57/720693057.db2.gz PWPLGFHZUZGTER-NWDGAFQWSA-N 0 1 403.399 0.534 20 5 HCBDMN COc1nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164740092 720692872 /nfs/dbraw/zinc/69/28/72/720692872.db2.gz PWPLGFHZUZGTER-RYUDHWBXSA-N 0 1 403.399 0.534 20 5 HCBDMN COc1nc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164740093 720693616 /nfs/dbraw/zinc/69/36/16/720693616.db2.gz PWPLGFHZUZGTER-VXGBXAGGSA-N 0 1 403.399 0.534 20 5 HCBDMN COC(=O)c1ccnc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164740503 720711895 /nfs/dbraw/zinc/71/18/95/720711895.db2.gz QRMUYUZAFCDVPK-CHWSQXEVSA-N 0 1 400.395 0.908 20 5 HCBDMN COC(=O)c1ccnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164740506 720712630 /nfs/dbraw/zinc/71/26/30/720712630.db2.gz QRMUYUZAFCDVPK-OLZOCXBDSA-N 0 1 400.395 0.908 20 5 HCBDMN COC(=O)c1ccnc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164740510 720712072 /nfs/dbraw/zinc/71/20/72/720712072.db2.gz QRMUYUZAFCDVPK-QWHCGFSZSA-N 0 1 400.395 0.908 20 5 HCBDMN COC(=O)c1ccnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164740513 720711380 /nfs/dbraw/zinc/71/13/80/720711380.db2.gz QRMUYUZAFCDVPK-STQMWFEESA-N 0 1 400.395 0.908 20 5 HCBDMN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164741626 720802749 /nfs/dbraw/zinc/80/27/49/720802749.db2.gz BONBWSDWXJBNTM-KBPBESRZSA-N 0 1 414.426 0.784 20 5 HCBDMN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164741630 720803142 /nfs/dbraw/zinc/80/31/42/720803142.db2.gz BONBWSDWXJBNTM-KGLIPLIRSA-N 0 1 414.426 0.784 20 5 HCBDMN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164741634 720803136 /nfs/dbraw/zinc/80/31/36/720803136.db2.gz BONBWSDWXJBNTM-UONOGXRCSA-N 0 1 414.426 0.784 20 5 HCBDMN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164741636 720803679 /nfs/dbraw/zinc/80/36/79/720803679.db2.gz BONBWSDWXJBNTM-ZIAGYGMSSA-N 0 1 414.426 0.784 20 5 HCBDMN COC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742439 720628321 /nfs/dbraw/zinc/62/83/21/720628321.db2.gz NHJHTODKCSOWAF-KBPBESRZSA-N 0 1 400.395 0.908 20 5 HCBDMN COC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742441 720627622 /nfs/dbraw/zinc/62/76/22/720627622.db2.gz NHJHTODKCSOWAF-KGLIPLIRSA-N 0 1 400.395 0.908 20 5 HCBDMN COC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742442 720626898 /nfs/dbraw/zinc/62/68/98/720626898.db2.gz NHJHTODKCSOWAF-UONOGXRCSA-N 0 1 400.395 0.908 20 5 HCBDMN COC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742444 720629417 /nfs/dbraw/zinc/62/94/17/720629417.db2.gz NHJHTODKCSOWAF-ZIAGYGMSSA-N 0 1 400.395 0.908 20 5 HCBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164744934 720805284 /nfs/dbraw/zinc/80/52/84/720805284.db2.gz JWOVXJXTQRAHBW-CHWSQXEVSA-N 0 1 400.395 0.908 20 5 HCBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164744935 720804796 /nfs/dbraw/zinc/80/47/96/720804796.db2.gz JWOVXJXTQRAHBW-OLZOCXBDSA-N 0 1 400.395 0.908 20 5 HCBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164744936 720804943 /nfs/dbraw/zinc/80/49/43/720804943.db2.gz JWOVXJXTQRAHBW-QWHCGFSZSA-N 0 1 400.395 0.908 20 5 HCBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164744937 720805405 /nfs/dbraw/zinc/80/54/05/720805405.db2.gz JWOVXJXTQRAHBW-STQMWFEESA-N 0 1 400.395 0.908 20 5 HCBDMN COc1nc(C)c([N+](=O)[O-])c(N2CCn3cc(CN4CCN(C)CC4)nc3C2)n1 ZINC001164794043 721513991 /nfs/dbraw/zinc/51/39/91/721513991.db2.gz CKXGWNOHNOYAJD-UHFFFAOYSA-N 0 1 402.459 0.666 20 5 HCBDMN COc1nc(N2CCn3cc(CN4CCN(C)CC4)nc3C2)nc(OC)c1[N+](=O)[O-] ZINC001164794286 721513417 /nfs/dbraw/zinc/51/34/17/721513417.db2.gz MRCNDGGUGRFFGI-UHFFFAOYSA-N 0 1 418.458 0.366 20 5 HCBDMN CN1CCN(Cc2cn3c(n2)CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC3)CC1 ZINC001164794597 721511403 /nfs/dbraw/zinc/51/14/03/721511403.db2.gz STHQCOSMQAXSSC-UHFFFAOYSA-N 0 1 402.415 0.862 20 5 HCBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCn3cc(CN4CCN(C)CC4)nc3C2)n1 ZINC001164795665 721522813 /nfs/dbraw/zinc/52/28/13/721522813.db2.gz QRLVFALKVIIGLQ-UHFFFAOYSA-N 0 1 415.454 0.741 20 5 HCBDMN COC(=O)c1cc([N+](=O)[O-])cnc1N1CCn2cc(CN3CCN(C)CC3)nc2C1 ZINC001164796588 721509354 /nfs/dbraw/zinc/50/93/54/721509354.db2.gz SSOVHWDZYNWSPB-UHFFFAOYSA-N 0 1 415.454 0.741 20 5 HCBDMN COC(=O)c1ccnc(N2CCn3cc(CN4CCN(C)CC4)nc3C2)c1[N+](=O)[O-] ZINC001164796723 721515083 /nfs/dbraw/zinc/51/50/83/721515083.db2.gz AJQAUTKYNHMTDE-UHFFFAOYSA-N 0 1 415.454 0.741 20 5 HCBDMN CN1CCN(Cc2cn3c(n2)CN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC3)CC1 ZINC001164797115 721514863 /nfs/dbraw/zinc/51/48/63/721514863.db2.gz GUMDYDCBXNZLHZ-UHFFFAOYSA-N 0 1 407.862 0.846 20 5 HCBDMN CN1CCN(Cc2cn3c(n2)CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC3)CC1 ZINC001164798365 721515920 /nfs/dbraw/zinc/51/59/20/721515920.db2.gz SGCXQRDNLQKPSK-UHFFFAOYSA-N 0 1 407.862 0.846 20 5 HCBDMN COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)n1 ZINC001164868522 721272510 /nfs/dbraw/zinc/27/25/10/721272510.db2.gz AHMGFMDIBFFENB-UHFFFAOYSA-N 0 1 422.486 0.709 20 5 HCBDMN CN(C)C(=O)CN1CCOCC2(CCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)C1 ZINC001164868543 721268739 /nfs/dbraw/zinc/26/87/39/721268739.db2.gz BCMLGOJLOSFIBF-UHFFFAOYSA-N 0 1 422.442 0.905 20 5 HCBDMN COc1ncnc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)c1[N+](=O)[O-] ZINC001164870388 721273144 /nfs/dbraw/zinc/27/31/44/721273144.db2.gz XLXWEZPJQPPXRY-UHFFFAOYSA-N 0 1 408.459 0.400 20 5 HCBDMN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(CC1)COCCN(CC(=O)N(C)C)C2 ZINC001164872444 721278936 /nfs/dbraw/zinc/27/89/36/721278936.db2.gz CXHUYFFQPSSMKZ-UHFFFAOYSA-N 0 1 407.471 0.544 20 5 HCBDMN COc1nc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)ncc1[N+](=O)[O-] ZINC001164873258 721260511 /nfs/dbraw/zinc/26/05/11/721260511.db2.gz HGNQDBYNQUXWOP-UHFFFAOYSA-N 0 1 408.459 0.400 20 5 HCBDMN COc1nc(N2CCCC23CCN(CC(=O)N(C)C)CC3)nc(OC)c1[N+](=O)[O-] ZINC001165010149 721737300 /nfs/dbraw/zinc/73/73/00/721737300.db2.gz CMMGBCPOKJDACE-UHFFFAOYSA-N 0 1 408.459 0.925 20 5 HCBDMN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCC(N2CCOCC2)CC1 ZINC001168663817 1080385410 /nfs/dbraw/zinc/38/54/10/1080385410.db2.gz RTUNILTYSVDHCX-UHFFFAOYSA-N 0 1 402.407 0.514 20 5 HCBDMN CC(C)C[C@H](NC(=O)CNC(=O)CN)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001212298833 1078814719 /nfs/dbraw/zinc/81/47/19/1078814719.db2.gz WIRXFJABCVKCOR-JTQLQIEISA-N 0 1 409.378 0.457 20 5 HCBDMN CC(C)C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001212452576 1080595163 /nfs/dbraw/zinc/59/51/63/1080595163.db2.gz AMOHJAMCBRHCHO-KBPBESRZSA-N 0 1 413.500 0.845 20 5 HCBDMN CC(C)C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001212452577 1080595137 /nfs/dbraw/zinc/59/51/37/1080595137.db2.gz AMOHJAMCBRHCHO-KGLIPLIRSA-N 0 1 413.500 0.845 20 5 HCBDMN COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)CN2CCCCC2)cc1[N+](=O)[O-] ZINC001212497083 1080870897 /nfs/dbraw/zinc/87/08/97/1080870897.db2.gz KNGNLCOTMMBIFF-GFCCVEGCSA-N 0 1 401.441 0.507 20 5 HCBDMN