smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000027210331 1077797863 /nfs/dbraw/zinc/79/78/63/1077797863.db2.gz JEWHEKDQQALHGE-HNNXBMFYSA-N 1 1 411.418 0.769 20 5 HCBDMO O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000027210335 1077797835 /nfs/dbraw/zinc/79/78/35/1077797835.db2.gz JEWHEKDQQALHGE-OAHLLOKOSA-N 1 1 411.418 0.769 20 5 HCBDMO Cn1c2ncn(CC[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)c2c(=O)n(C)c1=O ZINC000030911406 1077311014 /nfs/dbraw/zinc/31/10/14/1077311014.db2.gz GHCXHWXSBNBFPF-UHFFFAOYSA-N 1 1 413.438 0.164 20 5 HCBDMO COCC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000030957396 1077315845 /nfs/dbraw/zinc/31/58/45/1077315845.db2.gz XXIPAWYIGDWUBS-UHFFFAOYSA-N 1 1 414.484 0.384 20 5 HCBDMO C[NH+]1CCN(CCCCNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000031152424 1077325742 /nfs/dbraw/zinc/32/57/42/1077325742.db2.gz GYQQSNISCDKXEP-UHFFFAOYSA-N 1 1 405.503 0.849 20 5 HCBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CC1 ZINC000031811959 1077470546 /nfs/dbraw/zinc/47/05/46/1077470546.db2.gz JLTGLIASMDPOFB-CQSZACIVSA-N 1 1 413.434 0.761 20 5 HCBDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CC1 ZINC000031811964 1077470268 /nfs/dbraw/zinc/47/02/68/1077470268.db2.gz JLTGLIASMDPOFB-AWEZNQCLSA-N 1 1 413.434 0.761 20 5 HCBDMO Cc1cccc(C[NH+]2CCN(C(=O)Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)CC2)c1 ZINC000031813215 1077476684 /nfs/dbraw/zinc/47/66/84/1077476684.db2.gz PBGHZDSTMJQDRU-UHFFFAOYSA-N 1 1 413.434 0.508 20 5 HCBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000031932797 1077555287 /nfs/dbraw/zinc/55/52/87/1077555287.db2.gz MRCKCIKRXQJLRU-UHFFFAOYSA-N 1 1 405.455 0.431 20 5 HCBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000032268659 1077822721 /nfs/dbraw/zinc/82/27/21/1077822721.db2.gz YYIJMPQAMLUGSZ-HNNXBMFYSA-N 1 1 406.439 0.793 20 5 HCBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000032268660 1077822788 /nfs/dbraw/zinc/82/27/88/1077822788.db2.gz YYIJMPQAMLUGSZ-OAHLLOKOSA-N 1 1 406.439 0.793 20 5 HCBDMO Cc1[nH+]ccn1CCCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000056122679 1080239659 /nfs/dbraw/zinc/23/96/59/1080239659.db2.gz RYZWSWJFQREAPU-UHFFFAOYSA-N 1 1 410.456 0.756 20 5 HCBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000062197674 1074000677 /nfs/dbraw/zinc/00/06/77/1074000677.db2.gz POVXRZPGMVVIGW-UHFFFAOYSA-N 1 1 421.454 0.649 20 5 HCBDMO CN1CC[NH+](CCCNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000063653742 1074399981 /nfs/dbraw/zinc/39/99/81/1074399981.db2.gz FOEKXGGXWNPFCJ-UHFFFAOYSA-N 1 1 413.500 0.017 20 5 HCBDMO CCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000063761946 1074430002 /nfs/dbraw/zinc/43/00/02/1074430002.db2.gz RVCVJZRAGDFXPM-UHFFFAOYSA-N 1 1 414.484 0.778 20 5 HCBDMO C[NH+]1CCN(CCCCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000106156783 1080120022 /nfs/dbraw/zinc/12/00/22/1080120022.db2.gz QCKSPYYUYSAJSN-UHFFFAOYSA-N 1 1 405.455 0.464 20 5 HCBDMO COc1cc(C(=O)NC2CC[NH+](CC(N)=O)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000139534346 1079131776 /nfs/dbraw/zinc/13/17/76/1079131776.db2.gz OOPWRDWXWKPCQN-UHFFFAOYSA-N 1 1 402.354 0.884 20 5 HCBDMO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000170260212 1073437950 /nfs/dbraw/zinc/43/79/50/1073437950.db2.gz BYQABNKGHPCTHC-GFCCVEGCSA-N 1 1 400.413 0.694 20 5 HCBDMO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000170260214 1073438049 /nfs/dbraw/zinc/43/80/49/1073438049.db2.gz BYQABNKGHPCTHC-LBPRGKRZSA-N 1 1 400.413 0.694 20 5 HCBDMO CN1CCN(S(=O)(=O)c2ccc(N3CC[NH+](C4CC4)CC3)c([N+](=O)[O-])c2)CC1 ZINC000301099822 1077963384 /nfs/dbraw/zinc/96/33/84/1077963384.db2.gz NRLGGOIGVPATLL-UHFFFAOYSA-N 1 1 409.512 0.815 20 5 HCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428809488 1075698602 /nfs/dbraw/zinc/69/86/02/1075698602.db2.gz QDMBSWTYLXLOAY-CYBMUJFWSA-N 1 1 400.457 0.898 20 5 HCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428809489 1075698464 /nfs/dbraw/zinc/69/84/64/1075698464.db2.gz QDMBSWTYLXLOAY-ZDUSSCGKSA-N 1 1 400.457 0.898 20 5 HCBDMO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@H](C)CO ZINC000428859088 1081281054 /nfs/dbraw/zinc/28/10/54/1081281054.db2.gz CBEGDVIBSSBLJB-CQSZACIVSA-N 1 1 414.484 0.130 20 5 HCBDMO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@H](C)CO ZINC000428864256 1081284367 /nfs/dbraw/zinc/28/43/67/1081284367.db2.gz SIMFUTINNJJHII-CQSZACIVSA-N 1 1 414.484 0.130 20 5 HCBDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000428984244 1081360665 /nfs/dbraw/zinc/36/06/65/1081360665.db2.gz ROKABSFDVDKJSS-FQEVSTJZSA-N 1 1 400.435 0.852 20 5 HCBDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000428984249 1081360606 /nfs/dbraw/zinc/36/06/06/1081360606.db2.gz ROKABSFDVDKJSS-HXUWFJFHSA-N 1 1 400.435 0.852 20 5 HCBDMO C[N@H+]1CCN(CCNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000442961350 1075329463 /nfs/dbraw/zinc/32/94/63/1075329463.db2.gz FBCANMQDHDRSMJ-UHFFFAOYSA-N 1 1 409.512 0.928 20 5 HCBDMO C[N@H+]1CCN(CCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000442976371 1075338877 /nfs/dbraw/zinc/33/88/77/1075338877.db2.gz TYNBRZHFXZTKNB-UHFFFAOYSA-N 1 1 406.487 0.536 20 5 HCBDMO C[N@H+]1CCN(CCNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(C)C ZINC000443077779 1075375835 /nfs/dbraw/zinc/37/58/35/1075375835.db2.gz KAZNDZKKGVGUFJ-UHFFFAOYSA-N 1 1 414.484 0.670 20 5 HCBDMO Cc1ccc(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000443259220 1075543443 /nfs/dbraw/zinc/54/34/43/1075543443.db2.gz ZEFSSLSBGMLARB-UHFFFAOYSA-N 1 1 400.501 0.572 20 5 HCBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000443259278 1075543510 /nfs/dbraw/zinc/54/35/10/1075543510.db2.gz ZSAYRNBQKOROHZ-UHFFFAOYSA-N 1 1 400.501 0.572 20 5 HCBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)c1C ZINC000443260449 1075545159 /nfs/dbraw/zinc/54/51/59/1075545159.db2.gz DDBGJXSMKAQXAH-UHFFFAOYSA-N 1 1 414.528 0.880 20 5 HCBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000443261652 1075544226 /nfs/dbraw/zinc/54/42/26/1075544226.db2.gz LBOIBVBCCSYFSX-UHFFFAOYSA-N 1 1 414.528 0.826 20 5 HCBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000443263779 1075543372 /nfs/dbraw/zinc/54/33/72/1075543372.db2.gz PLTZMHLMXKEKLV-UHFFFAOYSA-N 1 1 416.500 0.272 20 5 HCBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000443267537 1075549259 /nfs/dbraw/zinc/54/92/59/1075549259.db2.gz ANWHHPIXWCKYRB-UHFFFAOYSA-N 1 1 400.501 0.572 20 5 HCBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)c1C ZINC000443268435 1075549590 /nfs/dbraw/zinc/54/95/90/1075549590.db2.gz KLKIYLLWODYKSC-UHFFFAOYSA-N 1 1 414.528 0.880 20 5 HCBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000443268677 1075549615 /nfs/dbraw/zinc/54/96/15/1075549615.db2.gz IGMQONYMKCWATD-UHFFFAOYSA-N 1 1 414.528 0.880 20 5 HCBDMO COc1cc(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000443268980 1075553554 /nfs/dbraw/zinc/55/35/54/1075553554.db2.gz CBTMBAZDEQDTDK-UHFFFAOYSA-N 1 1 416.500 0.272 20 5 HCBDMO COc1ccc(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000443270396 1075553508 /nfs/dbraw/zinc/55/35/08/1075553508.db2.gz IEBRFTRJPLCNMB-UHFFFAOYSA-N 1 1 416.500 0.272 20 5 HCBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)cc1 ZINC000443271885 1075553478 /nfs/dbraw/zinc/55/34/78/1075553478.db2.gz ZGQKSZDCXIPIPL-UHFFFAOYSA-N 1 1 400.501 0.404 20 5 HCBDMO C[N@@H+](CCCO)C1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000443274557 1075562149 /nfs/dbraw/zinc/56/21/49/1075562149.db2.gz UGRDFZSOJJIODL-UHFFFAOYSA-N 1 1 415.468 0.833 20 5 HCBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000443275040 1075561513 /nfs/dbraw/zinc/56/15/13/1075561513.db2.gz OLWMUGSEFSWGMJ-UHFFFAOYSA-N 1 1 416.500 0.272 20 5 HCBDMO COc1ccc(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000443275322 1075561889 /nfs/dbraw/zinc/56/18/89/1075561889.db2.gz XPQQQCPFPOOQNU-UHFFFAOYSA-N 1 1 416.500 0.272 20 5 HCBDMO Cc1ccc(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000443275565 1075555885 /nfs/dbraw/zinc/55/58/85/1075555885.db2.gz PVBLDKKFDPOBIP-UHFFFAOYSA-N 1 1 400.501 0.572 20 5 HCBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000443279703 1075560796 /nfs/dbraw/zinc/56/07/96/1075560796.db2.gz ZTEOLRDYALVLDB-UHFFFAOYSA-N 1 1 400.501 0.572 20 5 HCBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000443281330 1075560022 /nfs/dbraw/zinc/56/00/22/1075560022.db2.gz KOHMETSBPXTZKB-UHFFFAOYSA-N 1 1 400.501 0.572 20 5 HCBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCCN1CCN(CCO)CC1 ZINC000443281330 1075560017 /nfs/dbraw/zinc/56/00/17/1075560017.db2.gz KOHMETSBPXTZKB-UHFFFAOYSA-N 1 1 400.501 0.572 20 5 HCBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)cc1C ZINC000443283171 1075562881 /nfs/dbraw/zinc/56/28/81/1075562881.db2.gz JMNRLWYYQWJLPB-UHFFFAOYSA-N 1 1 414.528 0.880 20 5 HCBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCCCN2CCN(CCO)CC2)cc1C ZINC000443283171 1075562874 /nfs/dbraw/zinc/56/28/74/1075562874.db2.gz JMNRLWYYQWJLPB-UHFFFAOYSA-N 1 1 414.528 0.880 20 5 HCBDMO Cc1cc(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000443290564 1075577135 /nfs/dbraw/zinc/57/71/35/1075577135.db2.gz YRHQLPDYAAUJJE-UHFFFAOYSA-N 1 1 400.501 0.572 20 5 HCBDMO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)OCCO2 ZINC000443312237 1075602753 /nfs/dbraw/zinc/60/27/53/1075602753.db2.gz ZYTZHYXYVHIPFN-CYBMUJFWSA-N 1 1 415.468 0.881 20 5 HCBDMO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCCCC[N@@H+]1CCC[C@H]1CO)OCCO2 ZINC000443312238 1075603601 /nfs/dbraw/zinc/60/36/01/1075603601.db2.gz ZYTZHYXYVHIPFN-ZDUSSCGKSA-N 1 1 415.468 0.881 20 5 HCBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000443482184 1075857198 /nfs/dbraw/zinc/85/71/98/1075857198.db2.gz HJIDNOLNGSKCFH-KBPBESRZSA-N 1 1 413.500 0.855 20 5 HCBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000443482186 1075854645 /nfs/dbraw/zinc/85/46/45/1075854645.db2.gz HJIDNOLNGSKCFH-KGLIPLIRSA-N 1 1 413.500 0.855 20 5 HCBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000443482188 1075856442 /nfs/dbraw/zinc/85/64/42/1075856442.db2.gz HJIDNOLNGSKCFH-UONOGXRCSA-N 1 1 413.500 0.855 20 5 HCBDMO CN1CCN(C(=O)C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CC1 ZINC000460358982 1075842448 /nfs/dbraw/zinc/84/24/48/1075842448.db2.gz YQANPYGYCQOIHN-UHFFFAOYSA-N 1 1 401.471 0.757 20 5 HCBDMO C[NH+]1CCN(C(=O)Cn2cc(NS(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000462414603 1075386572 /nfs/dbraw/zinc/38/65/72/1075386572.db2.gz DXOGNNZRWUZORB-UHFFFAOYSA-N 1 1 422.467 0.507 20 5 HCBDMO COCCC[N@@H+](C)CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000462890601 1075549657 /nfs/dbraw/zinc/54/96/57/1075549657.db2.gz OJZSZDARYKZKPP-UHFFFAOYSA-N 1 1 416.500 0.996 20 5 HCBDMO COCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000462893302 1075550221 /nfs/dbraw/zinc/55/02/21/1075550221.db2.gz YNGKRPPDRLBCAK-UHFFFAOYSA-N 1 1 416.500 0.996 20 5 HCBDMO COC(=O)CNC(=O)c1ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000462898360 1075551686 /nfs/dbraw/zinc/55/16/86/1075551686.db2.gz SYLFFJHPFWCIAL-AWEZNQCLSA-N 1 1 406.439 0.656 20 5 HCBDMO COC(=O)CNC(=O)c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000462898362 1075551710 /nfs/dbraw/zinc/55/17/10/1075551710.db2.gz SYLFFJHPFWCIAL-CQSZACIVSA-N 1 1 406.439 0.656 20 5 HCBDMO CNc1c(C(=O)Nc2cnn(CC(=O)N3CC[NH+](C)CC3)c2)cccc1[N+](=O)[O-] ZINC000462997612 1075575835 /nfs/dbraw/zinc/57/58/35/1075575835.db2.gz XAKGCHXQZVGEIV-UHFFFAOYSA-N 1 1 401.427 0.859 20 5 HCBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000463079065 1075590514 /nfs/dbraw/zinc/59/05/14/1075590514.db2.gz WXRYPDUIXZLCEW-UHFFFAOYSA-N 1 1 412.512 0.932 20 5 HCBDMO CS(=O)(=O)c1ccc(N2CCN(CC[N@H+]3CCCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000463091190 1075592419 /nfs/dbraw/zinc/59/24/19/1075592419.db2.gz ZPRCJFLQNORXOD-UHFFFAOYSA-N 1 1 412.512 0.843 20 5 HCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCNS(C)(=O)=O)C1CC1 ZINC000463196701 1075641716 /nfs/dbraw/zinc/64/17/16/1075641716.db2.gz MDTJETDHJCMVTK-UHFFFAOYSA-N 1 1 400.457 0.946 20 5 HCBDMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000463702516 1075799045 /nfs/dbraw/zinc/79/90/45/1075799045.db2.gz HOTDXYBYTHCPGO-UHFFFAOYSA-N 1 1 407.452 0.585 20 5 HCBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000464022174 1075853479 /nfs/dbraw/zinc/85/34/79/1075853479.db2.gz KOUJHVWBUXZRIM-AWEZNQCLSA-N 1 1 405.455 0.854 20 5 HCBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000464022175 1075853467 /nfs/dbraw/zinc/85/34/67/1075853467.db2.gz KOUJHVWBUXZRIM-CQSZACIVSA-N 1 1 405.455 0.854 20 5 HCBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000464029205 1075852152 /nfs/dbraw/zinc/85/21/52/1075852152.db2.gz LUIJIBNJCISHRP-INIZCTEOSA-N 1 1 417.466 0.915 20 5 HCBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000464029221 1075852100 /nfs/dbraw/zinc/85/21/00/1075852100.db2.gz LUIJIBNJCISHRP-MRXNPFEDSA-N 1 1 417.466 0.915 20 5 HCBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000464032171 1075852488 /nfs/dbraw/zinc/85/24/88/1075852488.db2.gz NEJPSKZNLBXUFK-UHFFFAOYSA-N 1 1 421.498 0.656 20 5 HCBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000464032875 1075852670 /nfs/dbraw/zinc/85/26/70/1075852670.db2.gz RVQARERONXHZGX-UHFFFAOYSA-N 1 1 405.455 0.819 20 5 HCBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000464047446 1075857396 /nfs/dbraw/zinc/85/73/96/1075857396.db2.gz LQNHUNAAAAIEPC-UHFFFAOYSA-N 1 1 405.455 0.773 20 5 HCBDMO C[C@H]1C[C@H](N(C)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000465743200 1080297007 /nfs/dbraw/zinc/29/70/07/1080297007.db2.gz PLABMDZMZQCYBB-DZGCQCFKSA-N 1 1 413.500 0.997 20 5 HCBDMO C[C@@H]1C[C@@H](N(C)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000465743201 1080297170 /nfs/dbraw/zinc/29/71/70/1080297170.db2.gz PLABMDZMZQCYBB-HIFRSBDPSA-N 1 1 413.500 0.997 20 5 HCBDMO C[C@@H]1C[C@H](N(C)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000465743202 1080297097 /nfs/dbraw/zinc/29/70/97/1080297097.db2.gz PLABMDZMZQCYBB-UKRRQHHQSA-N 1 1 413.500 0.997 20 5 HCBDMO C[C@H]1C[C@@H](N(C)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000465743203 1080296883 /nfs/dbraw/zinc/29/68/83/1080296883.db2.gz PLABMDZMZQCYBB-ZFWWWQNUSA-N 1 1 413.500 0.997 20 5 HCBDMO C[C@H]1C[C@@H](N(C)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000465772560 1080333226 /nfs/dbraw/zinc/33/32/26/1080333226.db2.gz XTVNBTXXHSVUPW-KBPBESRZSA-N 1 1 413.500 0.997 20 5 HCBDMO C[C@@H]1C[C@@H](N(C)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000465772561 1080333311 /nfs/dbraw/zinc/33/33/11/1080333311.db2.gz XTVNBTXXHSVUPW-KGLIPLIRSA-N 1 1 413.500 0.997 20 5 HCBDMO C[C@H]1C[C@H](N(C)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000465772562 1080333397 /nfs/dbraw/zinc/33/33/97/1080333397.db2.gz XTVNBTXXHSVUPW-UONOGXRCSA-N 1 1 413.500 0.997 20 5 HCBDMO C[C@@H]1C[C@H](N(C)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000465772563 1080333283 /nfs/dbraw/zinc/33/32/83/1080333283.db2.gz XTVNBTXXHSVUPW-ZIAGYGMSSA-N 1 1 413.500 0.997 20 5 HCBDMO C[C@H]1C[C@@H](N(C)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000465973696 1080609207 /nfs/dbraw/zinc/60/92/07/1080609207.db2.gz RKAIWAYJIKZFFD-KBPBESRZSA-N 1 1 413.500 0.997 20 5 HCBDMO C[C@@H]1C[C@@H](N(C)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000465973697 1080609082 /nfs/dbraw/zinc/60/90/82/1080609082.db2.gz RKAIWAYJIKZFFD-KGLIPLIRSA-N 1 1 413.500 0.997 20 5 HCBDMO C[C@H]1C[C@H](N(C)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000465973698 1080609267 /nfs/dbraw/zinc/60/92/67/1080609267.db2.gz RKAIWAYJIKZFFD-UONOGXRCSA-N 1 1 413.500 0.997 20 5 HCBDMO C[C@@H]1C[C@H](N(C)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000465973699 1080609167 /nfs/dbraw/zinc/60/91/67/1080609167.db2.gz RKAIWAYJIKZFFD-ZIAGYGMSSA-N 1 1 413.500 0.997 20 5 HCBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000466253714 1081043805 /nfs/dbraw/zinc/04/38/05/1081043805.db2.gz FFDMNZJQZXDCDW-BLLLJJGKSA-N 1 1 411.484 0.655 20 5 HCBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000466253715 1081043705 /nfs/dbraw/zinc/04/37/05/1081043705.db2.gz FFDMNZJQZXDCDW-LRDDRELGSA-N 1 1 411.484 0.655 20 5 HCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000466253717 1081043902 /nfs/dbraw/zinc/04/39/02/1081043902.db2.gz FFDMNZJQZXDCDW-MLGOLLRUSA-N 1 1 411.484 0.655 20 5 HCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000466253719 1081043822 /nfs/dbraw/zinc/04/38/22/1081043822.db2.gz FFDMNZJQZXDCDW-WBMJQRKESA-N 1 1 411.484 0.655 20 5 HCBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000466261404 1081047329 /nfs/dbraw/zinc/04/73/29/1081047329.db2.gz DSJXZPPWEOZWCI-BLLLJJGKSA-N 1 1 411.484 0.655 20 5 HCBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000466261407 1081047277 /nfs/dbraw/zinc/04/72/77/1081047277.db2.gz DSJXZPPWEOZWCI-LRDDRELGSA-N 1 1 411.484 0.655 20 5 HCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000466261409 1081047647 /nfs/dbraw/zinc/04/76/47/1081047647.db2.gz DSJXZPPWEOZWCI-MLGOLLRUSA-N 1 1 411.484 0.655 20 5 HCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000466261411 1081047486 /nfs/dbraw/zinc/04/74/86/1081047486.db2.gz DSJXZPPWEOZWCI-WBMJQRKESA-N 1 1 411.484 0.655 20 5 HCBDMO C[NH+](C)CCN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H]1CCS(=O)(=O)C1 ZINC000467638299 1078374066 /nfs/dbraw/zinc/37/40/66/1078374066.db2.gz RUKLPISHZVPTND-OAHLLOKOSA-N 1 1 422.467 0.366 20 5 HCBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CC1 ZINC000487759385 1077475826 /nfs/dbraw/zinc/47/58/26/1077475826.db2.gz YHJRFSKFCJEYNB-AWEZNQCLSA-N 1 1 422.438 0.543 20 5 HCBDMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CC1 ZINC000487759387 1077475864 /nfs/dbraw/zinc/47/58/64/1077475864.db2.gz YHJRFSKFCJEYNB-CQSZACIVSA-N 1 1 422.438 0.543 20 5 HCBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000487760568 1077483611 /nfs/dbraw/zinc/48/36/11/1077483611.db2.gz JNHZRYQUQAUZAP-AWEZNQCLSA-N 1 1 422.438 0.855 20 5 HCBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000487760570 1077483338 /nfs/dbraw/zinc/48/33/38/1077483338.db2.gz JNHZRYQUQAUZAP-CQSZACIVSA-N 1 1 422.438 0.855 20 5 HCBDMO COC(=O)c1cc(NC(=O)C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c(C)c([N+](=O)[O-])c1 ZINC000487780426 1077562614 /nfs/dbraw/zinc/56/26/14/1077562614.db2.gz GDIHMZOEDXQCAV-GFCCVEGCSA-N 1 1 422.438 0.543 20 5 HCBDMO COC(=O)c1cc(NC(=O)C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c(C)c([N+](=O)[O-])c1 ZINC000487780430 1077562503 /nfs/dbraw/zinc/56/25/03/1077562503.db2.gz GDIHMZOEDXQCAV-LBPRGKRZSA-N 1 1 422.438 0.543 20 5 HCBDMO COC(=O)c1cc(NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)c(C)c([N+](=O)[O-])c1 ZINC000487795243 1077646980 /nfs/dbraw/zinc/64/69/80/1077646980.db2.gz DAAFPKPPZMJEGS-UHFFFAOYSA-N 1 1 418.410 0.744 20 5 HCBDMO COC(=O)c1cc(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)c(C)c([N+](=O)[O-])c1 ZINC000487796182 1077647476 /nfs/dbraw/zinc/64/74/76/1077647476.db2.gz HCYAIAPXQGNKHV-UHFFFAOYSA-N 1 1 422.438 0.543 20 5 HCBDMO COC(=O)c1cc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)c(C)c([N+](=O)[O-])c1 ZINC000487802971 1077647816 /nfs/dbraw/zinc/64/78/16/1077647816.db2.gz OEBPTHRVWQVXMT-UHFFFAOYSA-N 1 1 408.411 0.467 20 5 HCBDMO COC(=O)c1cc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)c(C)c([N+](=O)[O-])c1 ZINC000487802971 1077647813 /nfs/dbraw/zinc/64/78/13/1077647813.db2.gz OEBPTHRVWQVXMT-UHFFFAOYSA-N 1 1 408.411 0.467 20 5 HCBDMO COC(=O)c1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c(C)c([N+](=O)[O-])c1 ZINC000487803015 1077647853 /nfs/dbraw/zinc/64/78/53/1077647853.db2.gz OKXLPLUKCVTAMP-GFCCVEGCSA-N 1 1 422.438 0.713 20 5 HCBDMO COC(=O)c1cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)c(C)c([N+](=O)[O-])c1 ZINC000487803020 1077647889 /nfs/dbraw/zinc/64/78/89/1077647889.db2.gz OKXLPLUKCVTAMP-LBPRGKRZSA-N 1 1 422.438 0.713 20 5 HCBDMO 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COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000487965556 1077873121 /nfs/dbraw/zinc/87/31/21/1077873121.db2.gz TZJHAJLGZGWWBD-OAHLLOKOSA-N 1 1 402.473 0.129 20 5 HCBDMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000487965556 1077873119 /nfs/dbraw/zinc/87/31/19/1077873119.db2.gz TZJHAJLGZGWWBD-OAHLLOKOSA-N 1 1 402.473 0.129 20 5 HCBDMO C[N@H+]1CC[C@]2(CCN(C(=O)NCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000488085603 1078070735 /nfs/dbraw/zinc/07/07/35/1078070735.db2.gz DWZNTQVIRHSBGC-KRWDZBQOSA-N 1 1 411.484 0.610 20 5 HCBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)NCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000488085604 1078070772 /nfs/dbraw/zinc/07/07/72/1078070772.db2.gz DWZNTQVIRHSBGC-QGZVFWFLSA-N 1 1 411.484 0.610 20 5 HCBDMO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCN(c2cnccn2)CC1 ZINC000488235029 1079030777 /nfs/dbraw/zinc/03/07/77/1079030777.db2.gz TUXOBCUNPBMBGN-HNNXBMFYSA-N 1 1 412.454 0.615 20 5 HCBDMO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCN(c2cnccn2)CC1 ZINC000488235029 1079030768 /nfs/dbraw/zinc/03/07/68/1079030768.db2.gz TUXOBCUNPBMBGN-HNNXBMFYSA-N 1 1 412.454 0.615 20 5 HCBDMO C[NH+]1CCN(C(=O)Cn2cc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)cn2)CC1 ZINC000488993738 1080562765 /nfs/dbraw/zinc/56/27/65/1080562765.db2.gz OMJRPJIWROMABS-UHFFFAOYSA-N 1 1 416.394 0.546 20 5 HCBDMO NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000489016574 1080596339 /nfs/dbraw/zinc/59/63/39/1080596339.db2.gz PXJBKSUJGODCEF-UHFFFAOYSA-N 1 1 408.440 0.714 20 5 HCBDMO COc1c(F)cc(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000491306476 1075841692 /nfs/dbraw/zinc/84/16/92/1075841692.db2.gz FBFWJZBSVKGVMZ-UHFFFAOYSA-N 1 1 404.420 0.185 20 5 HCBDMO C[N@@H+](CCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000491791223 1077264270 /nfs/dbraw/zinc/26/42/70/1077264270.db2.gz XKBXTBLOEMGSAX-UHFFFAOYSA-N 1 1 411.484 0.705 20 5 HCBDMO C[N@@H+](CCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000491838735 1077266652 /nfs/dbraw/zinc/26/66/52/1077266652.db2.gz UOSTYWKTOPFCDM-UHFFFAOYSA-N 1 1 411.484 0.705 20 5 HCBDMO C[N@@H+](CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000491876047 1077267551 /nfs/dbraw/zinc/26/75/51/1077267551.db2.gz NISBQTKWUSLSEY-UHFFFAOYSA-N 1 1 411.484 0.705 20 5 HCBDMO C[C@@H](c1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1)[NH+]1CCOCC1 ZINC000492206400 1077281741 /nfs/dbraw/zinc/28/17/41/1077281741.db2.gz DBVLMUFAZSGNIK-AWEZNQCLSA-N 1 1 416.438 0.939 20 5 HCBDMO C[C@H](c1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1)[NH+]1CCOCC1 ZINC000492206401 1077281868 /nfs/dbraw/zinc/28/18/68/1077281868.db2.gz DBVLMUFAZSGNIK-CQSZACIVSA-N 1 1 416.438 0.939 20 5 HCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000492443875 1077292985 /nfs/dbraw/zinc/29/29/85/1077292985.db2.gz RNFFTUUKLZDADQ-UHFFFAOYSA-N 1 1 416.438 0.421 20 5 HCBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000492560272 1077298233 /nfs/dbraw/zinc/29/82/33/1077298233.db2.gz ONWDDRJJRSZSPQ-UHFFFAOYSA-N 1 1 403.399 0.046 20 5 HCBDMO C[N@H+]1CC[C@H]2CCN(C(=O)CCNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000493344048 1077342684 /nfs/dbraw/zinc/34/26/84/1077342684.db2.gz KJKLPSIQVNUZKU-BLLLJJGKSA-N 1 1 411.484 0.597 20 5 HCBDMO C[N@H+]1CC[C@H]2CCN(C(=O)CCNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000493344049 1077342744 /nfs/dbraw/zinc/34/27/44/1077342744.db2.gz KJKLPSIQVNUZKU-LRDDRELGSA-N 1 1 411.484 0.597 20 5 HCBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CCNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000493344050 1077342768 /nfs/dbraw/zinc/34/27/68/1077342768.db2.gz KJKLPSIQVNUZKU-MLGOLLRUSA-N 1 1 411.484 0.597 20 5 HCBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CCNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000493344051 1077342667 /nfs/dbraw/zinc/34/26/67/1077342667.db2.gz KJKLPSIQVNUZKU-WBMJQRKESA-N 1 1 411.484 0.597 20 5 HCBDMO COCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000493640480 1077359247 /nfs/dbraw/zinc/35/92/47/1077359247.db2.gz JIYLWVZRMOPPIB-INIZCTEOSA-N 1 1 414.484 0.442 20 5 HCBDMO COCC[N@@H+](C)CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000493640481 1077359163 /nfs/dbraw/zinc/35/91/63/1077359163.db2.gz JIYLWVZRMOPPIB-MRXNPFEDSA-N 1 1 414.484 0.442 20 5 HCBDMO Cc1cc(C)c(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000493924017 1077376837 /nfs/dbraw/zinc/37/68/37/1077376837.db2.gz GEHFLTNPRHRPLQ-UHFFFAOYSA-N 1 1 414.528 0.880 20 5 HCBDMO O=C(NCCCCN1CC[NH+](CCO)CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000494306625 1077495953 /nfs/dbraw/zinc/49/59/53/1077495953.db2.gz GKUPWLVJEOGKJA-UHFFFAOYSA-N 1 1 416.482 0.900 20 5 HCBDMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000494378174 1077523234 /nfs/dbraw/zinc/52/32/34/1077523234.db2.gz PQCHFDCPAIPPDD-CYBMUJFWSA-N 1 1 422.438 0.610 20 5 HCBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000494378175 1077523396 /nfs/dbraw/zinc/52/33/96/1077523396.db2.gz PQCHFDCPAIPPDD-ZDUSSCGKSA-N 1 1 422.438 0.610 20 5 HCBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000494746961 1077606876 /nfs/dbraw/zinc/60/68/76/1077606876.db2.gz RNIORGOPHGIKFT-GFCCVEGCSA-N 1 1 400.457 0.946 20 5 HCBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000494746962 1077606715 /nfs/dbraw/zinc/60/67/15/1077606715.db2.gz RNIORGOPHGIKFT-LBPRGKRZSA-N 1 1 400.457 0.946 20 5 HCBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000494749505 1077609177 /nfs/dbraw/zinc/60/91/77/1077609177.db2.gz QHLFJLOKGMKOQC-CYBMUJFWSA-N 1 1 400.457 0.946 20 5 HCBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000494749506 1077608906 /nfs/dbraw/zinc/60/89/06/1077608906.db2.gz QHLFJLOKGMKOQC-ZDUSSCGKSA-N 1 1 400.457 0.946 20 5 HCBDMO Cc1c(C(=O)N(C)CCCN(C)CC[NH+](C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000494834074 1077653560 /nfs/dbraw/zinc/65/35/60/1077653560.db2.gz DEZWJYJMYVMTMI-UHFFFAOYSA-N 1 1 415.516 0.506 20 5 HCBDMO Cc1c(C(=O)N(C)CCC[N@H+](C)CCN(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000494834074 1077653551 /nfs/dbraw/zinc/65/35/51/1077653551.db2.gz DEZWJYJMYVMTMI-UHFFFAOYSA-N 1 1 415.516 0.506 20 5 HCBDMO CN(CCCN(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)CC[NH+](C)C ZINC000494841933 1077657689 /nfs/dbraw/zinc/65/76/89/1077657689.db2.gz JANIQVMLSFUSQS-UHFFFAOYSA-N 1 1 405.455 0.533 20 5 HCBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000494841933 1077657679 /nfs/dbraw/zinc/65/76/79/1077657679.db2.gz JANIQVMLSFUSQS-UHFFFAOYSA-N 1 1 405.455 0.533 20 5 HCBDMO CN(CCCN(C)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)CC[NH+](C)C ZINC000494842783 1077657638 /nfs/dbraw/zinc/65/76/38/1077657638.db2.gz TVRFVQOVALFVOS-UHFFFAOYSA-N 1 1 401.489 0.198 20 5 HCBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000494842783 1077657631 /nfs/dbraw/zinc/65/76/31/1077657631.db2.gz TVRFVQOVALFVOS-UHFFFAOYSA-N 1 1 401.489 0.198 20 5 HCBDMO Cc1c(C(=O)NCCCN(C)CC[NH+](C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000494847009 1077659233 /nfs/dbraw/zinc/65/92/33/1077659233.db2.gz SLQLYMQEBIBPHK-UHFFFAOYSA-N 1 1 401.489 0.164 20 5 HCBDMO Cc1c(C(=O)NCCC[N@H+](C)CCN(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000494847009 1077659231 /nfs/dbraw/zinc/65/92/31/1077659231.db2.gz SLQLYMQEBIBPHK-UHFFFAOYSA-N 1 1 401.489 0.164 20 5 HCBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000495029796 1077706270 /nfs/dbraw/zinc/70/62/70/1077706270.db2.gz XCHCYGNJCOZWOX-UHFFFAOYSA-N 1 1 407.475 0.690 20 5 HCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000495194285 1077752644 /nfs/dbraw/zinc/75/26/44/1077752644.db2.gz LIYWTPHOPQKYPX-AWEZNQCLSA-N 1 1 407.475 0.725 20 5 HCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000495194291 1077752589 /nfs/dbraw/zinc/75/25/89/1077752589.db2.gz LIYWTPHOPQKYPX-CQSZACIVSA-N 1 1 407.475 0.725 20 5 HCBDMO CO[C@@H](C)c1noc(CN2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000495229079 1077763896 /nfs/dbraw/zinc/76/38/96/1077763896.db2.gz IMTPPUTVMUYKDS-DZGCQCFKSA-N 1 1 409.447 0.451 20 5 HCBDMO CO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000495229180 1077763955 /nfs/dbraw/zinc/76/39/55/1077763955.db2.gz IMTPPUTVMUYKDS-HIFRSBDPSA-N 1 1 409.447 0.451 20 5 HCBDMO CO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000495229181 1077763772 /nfs/dbraw/zinc/76/37/72/1077763772.db2.gz IMTPPUTVMUYKDS-UKRRQHHQSA-N 1 1 409.447 0.451 20 5 HCBDMO CO[C@@H](C)c1noc(CN2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000495229182 1077763655 /nfs/dbraw/zinc/76/36/55/1077763655.db2.gz IMTPPUTVMUYKDS-ZFWWWQNUSA-N 1 1 409.447 0.451 20 5 HCBDMO C[NH+](C)CCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H]1CCS(=O)(=O)C1 ZINC000495417116 1077829198 /nfs/dbraw/zinc/82/91/98/1077829198.db2.gz PTAHOPABRIBTOB-AWEZNQCLSA-N 1 1 421.479 0.971 20 5 HCBDMO C[NH+](C)CCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H]1CCS(=O)(=O)C1 ZINC000495417117 1077829224 /nfs/dbraw/zinc/82/92/24/1077829224.db2.gz PTAHOPABRIBTOB-CQSZACIVSA-N 1 1 421.479 0.971 20 5 HCBDMO NC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000495490459 1077835528 /nfs/dbraw/zinc/83/55/28/1077835528.db2.gz IFQQYHDQHGRQAC-DLBZAZTESA-N 1 1 422.873 0.650 20 5 HCBDMO NC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000495490460 1077835584 /nfs/dbraw/zinc/83/55/84/1077835584.db2.gz IFQQYHDQHGRQAC-IAGOWNOFSA-N 1 1 422.873 0.650 20 5 HCBDMO NC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000495490461 1077835540 /nfs/dbraw/zinc/83/55/40/1077835540.db2.gz IFQQYHDQHGRQAC-IRXDYDNUSA-N 1 1 422.873 0.650 20 5 HCBDMO NC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000495490462 1077835571 /nfs/dbraw/zinc/83/55/71/1077835571.db2.gz IFQQYHDQHGRQAC-SJORKVTESA-N 1 1 422.873 0.650 20 5 HCBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000495549879 1077842236 /nfs/dbraw/zinc/84/22/36/1077842236.db2.gz FAROEVRDXHFUGZ-HNNXBMFYSA-N 1 1 417.422 0.268 20 5 HCBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000495549885 1077842268 /nfs/dbraw/zinc/84/22/68/1077842268.db2.gz FAROEVRDXHFUGZ-OAHLLOKOSA-N 1 1 417.422 0.268 20 5 HCBDMO C[N@H+]1CCN(CCNC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1(C)C ZINC000496333659 1078065406 /nfs/dbraw/zinc/06/54/06/1078065406.db2.gz SVTJBTYNQTZPFZ-UHFFFAOYSA-N 1 1 421.502 0.097 20 5 HCBDMO C[N@H+]1CCN(CCNC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1(C)C ZINC000496335144 1078065304 /nfs/dbraw/zinc/06/53/04/1078065304.db2.gz ZWMNDNFRUQVNOC-UHFFFAOYSA-N 1 1 417.470 0.230 20 5 HCBDMO COc1ccc(C(=O)NCC(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1[N+](=O)[O-] ZINC000496989165 1078112347 /nfs/dbraw/zinc/11/23/47/1078112347.db2.gz WYCXZLWHWCPYOE-UHFFFAOYSA-N 1 1 408.455 0.638 20 5 HCBDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000497410852 1078239588 /nfs/dbraw/zinc/23/95/88/1078239588.db2.gz WNTFYUVXPPKQJX-BBRMVZONSA-N 1 1 411.484 0.609 20 5 HCBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000497410855 1078239545 /nfs/dbraw/zinc/23/95/45/1078239545.db2.gz WNTFYUVXPPKQJX-CJNGLKHVSA-N 1 1 411.484 0.609 20 5 HCBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000497410856 1078239494 /nfs/dbraw/zinc/23/94/94/1078239494.db2.gz WNTFYUVXPPKQJX-CZUORRHYSA-N 1 1 411.484 0.609 20 5 HCBDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000497410858 1078239568 /nfs/dbraw/zinc/23/95/68/1078239568.db2.gz WNTFYUVXPPKQJX-XJKSGUPXSA-N 1 1 411.484 0.609 20 5 HCBDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000497477293 1078258612 /nfs/dbraw/zinc/25/86/12/1078258612.db2.gz BOELSSCPCXZAKY-BBRMVZONSA-N 1 1 411.484 0.609 20 5 HCBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000497477294 1078258570 /nfs/dbraw/zinc/25/85/70/1078258570.db2.gz BOELSSCPCXZAKY-CJNGLKHVSA-N 1 1 411.484 0.609 20 5 HCBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000497477295 1078258762 /nfs/dbraw/zinc/25/87/62/1078258762.db2.gz BOELSSCPCXZAKY-CZUORRHYSA-N 1 1 411.484 0.609 20 5 HCBDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000497477296 1078259069 /nfs/dbraw/zinc/25/90/69/1078259069.db2.gz BOELSSCPCXZAKY-XJKSGUPXSA-N 1 1 411.484 0.609 20 5 HCBDMO C[NH+]1CCN(C(=O)C2CCN(c3cccc(S(C)(=O)=O)c3[N+](=O)[O-])CC2)CC1 ZINC000497540837 1078272127 /nfs/dbraw/zinc/27/21/27/1078272127.db2.gz SVLQUONQTPDYSE-UHFFFAOYSA-N 1 1 410.496 0.989 20 5 HCBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)c1 ZINC000497552732 1078276784 /nfs/dbraw/zinc/27/67/84/1078276784.db2.gz GJDRBNNNWWIFRV-KRWDZBQOSA-N 1 1 413.496 0.529 20 5 HCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)c1 ZINC000497552733 1078276801 /nfs/dbraw/zinc/27/68/01/1078276801.db2.gz GJDRBNNNWWIFRV-QGZVFWFLSA-N 1 1 413.496 0.529 20 5 HCBDMO C[NH+]1CCN(C(=O)Cn2cc(Nc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])cn2)CC1 ZINC000497558695 1078274221 /nfs/dbraw/zinc/27/42/21/1078274221.db2.gz WNXONLYUTSUAKG-UHFFFAOYSA-N 1 1 422.467 0.712 20 5 HCBDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000497667725 1078300805 /nfs/dbraw/zinc/30/08/05/1078300805.db2.gz ZJZOBUAFIACJPA-DZGCQCFKSA-N 1 1 411.484 0.609 20 5 HCBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000497667726 1078300755 /nfs/dbraw/zinc/30/07/55/1078300755.db2.gz ZJZOBUAFIACJPA-HIFRSBDPSA-N 1 1 411.484 0.609 20 5 HCBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000497667727 1078301027 /nfs/dbraw/zinc/30/10/27/1078301027.db2.gz ZJZOBUAFIACJPA-UKRRQHHQSA-N 1 1 411.484 0.609 20 5 HCBDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000497667728 1078300948 /nfs/dbraw/zinc/30/09/48/1078300948.db2.gz ZJZOBUAFIACJPA-ZFWWWQNUSA-N 1 1 411.484 0.609 20 5 HCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000497736056 1078314811 /nfs/dbraw/zinc/31/48/11/1078314811.db2.gz LYFRHIFGUNABTE-AEFFLSMTSA-N 1 1 400.435 0.756 20 5 HCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000497736057 1078314698 /nfs/dbraw/zinc/31/46/98/1078314698.db2.gz LYFRHIFGUNABTE-FUHWJXTLSA-N 1 1 400.435 0.756 20 5 HCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000497736058 1078314739 /nfs/dbraw/zinc/31/47/39/1078314739.db2.gz LYFRHIFGUNABTE-SJLPKXTDSA-N 1 1 400.435 0.756 20 5 HCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000497736059 1078314686 /nfs/dbraw/zinc/31/46/86/1078314686.db2.gz LYFRHIFGUNABTE-WMZOPIPTSA-N 1 1 400.435 0.756 20 5 HCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(OC)c(OCCOC)cc2[N+](=O)[O-])CC1 ZINC000497756857 1078319711 /nfs/dbraw/zinc/31/97/11/1078319711.db2.gz LIRSXACWZIZEBZ-UHFFFAOYSA-N 1 1 424.454 0.569 20 5 HCBDMO CC[N@H+]1CCC[C@@H](CNC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000498078604 1078364912 /nfs/dbraw/zinc/36/49/12/1078364912.db2.gz XKYPHLOPOONDMH-ZDUSSCGKSA-N 1 1 413.500 0.892 20 5 HCBDMO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000498259205 1078444476 /nfs/dbraw/zinc/44/44/76/1078444476.db2.gz RZFLIUODRZMRKB-AWEZNQCLSA-N 1 1 412.468 0.531 20 5 HCBDMO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000498259206 1078444413 /nfs/dbraw/zinc/44/44/13/1078444413.db2.gz RZFLIUODRZMRKB-CQSZACIVSA-N 1 1 412.468 0.531 20 5 HCBDMO CC(C)[C@H](CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000498347693 1078534508 /nfs/dbraw/zinc/53/45/08/1078534508.db2.gz FAQMFSDCLWMAIM-KRWDZBQOSA-N 1 1 407.471 0.867 20 5 HCBDMO CC(C)[C@@H](CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000498347694 1078534413 /nfs/dbraw/zinc/53/44/13/1078534413.db2.gz FAQMFSDCLWMAIM-QGZVFWFLSA-N 1 1 407.471 0.867 20 5 HCBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000498356578 1078541730 /nfs/dbraw/zinc/54/17/30/1078541730.db2.gz ULMHANXSGNQNJV-KRWDZBQOSA-N 1 1 407.471 0.867 20 5 HCBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000498356579 1078542018 /nfs/dbraw/zinc/54/20/18/1078542018.db2.gz ULMHANXSGNQNJV-QGZVFWFLSA-N 1 1 407.471 0.867 20 5 HCBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000498410382 1078573286 /nfs/dbraw/zinc/57/32/86/1078573286.db2.gz AEOIWMWMMCGTHP-UHFFFAOYSA-N 1 1 419.482 0.805 20 5 HCBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498425205 1078589468 /nfs/dbraw/zinc/58/94/68/1078589468.db2.gz KNOUJTWEVARRBQ-INIZCTEOSA-N 1 1 420.514 0.784 20 5 HCBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498425206 1078589378 /nfs/dbraw/zinc/58/93/78/1078589378.db2.gz KNOUJTWEVARRBQ-MRXNPFEDSA-N 1 1 420.514 0.784 20 5 HCBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000498426523 1078590489 /nfs/dbraw/zinc/59/04/89/1078590489.db2.gz VZBNSYSXYZQYEP-HNNXBMFYSA-N 1 1 419.482 0.710 20 5 HCBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000498426524 1078591344 /nfs/dbraw/zinc/59/13/44/1078591344.db2.gz VZBNSYSXYZQYEP-OAHLLOKOSA-N 1 1 419.482 0.710 20 5 HCBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000498434304 1078605147 /nfs/dbraw/zinc/60/51/47/1078605147.db2.gz HNKYVOYVDSSKQM-AWEZNQCLSA-N 1 1 417.466 0.581 20 5 HCBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000498434305 1078605265 /nfs/dbraw/zinc/60/52/65/1078605265.db2.gz HNKYVOYVDSSKQM-CQSZACIVSA-N 1 1 417.466 0.581 20 5 HCBDMO COCC[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000498453062 1078619472 /nfs/dbraw/zinc/61/94/72/1078619472.db2.gz PKFNSUJVHOWQRQ-UHFFFAOYSA-N 1 1 400.457 0.054 20 5 HCBDMO CC(C)[C@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000498457863 1078623061 /nfs/dbraw/zinc/62/30/61/1078623061.db2.gz QAQDASYZPPWRAU-KRWDZBQOSA-N 1 1 419.482 0.708 20 5 HCBDMO CC(C)[C@@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000498457897 1078623587 /nfs/dbraw/zinc/62/35/87/1078623587.db2.gz QAQDASYZPPWRAU-QGZVFWFLSA-N 1 1 419.482 0.708 20 5 HCBDMO COC(=O)c1cc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000498490675 1078653574 /nfs/dbraw/zinc/65/35/74/1078653574.db2.gz BSZKAKNSMVFDQJ-INIZCTEOSA-N 1 1 404.423 0.760 20 5 HCBDMO COC(=O)c1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000498490676 1078653692 /nfs/dbraw/zinc/65/36/92/1078653692.db2.gz BSZKAKNSMVFDQJ-MRXNPFEDSA-N 1 1 404.423 0.760 20 5 HCBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000498490796 1078653601 /nfs/dbraw/zinc/65/36/01/1078653601.db2.gz CLTPLSKCZUGBQN-INIZCTEOSA-N 1 1 413.438 0.554 20 5 HCBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000498490797 1078654289 /nfs/dbraw/zinc/65/42/89/1078654289.db2.gz CLTPLSKCZUGBQN-MRXNPFEDSA-N 1 1 413.438 0.554 20 5 HCBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000498502561 1078657597 /nfs/dbraw/zinc/65/75/97/1078657597.db2.gz HUMVLRQYPBDRGD-KRWDZBQOSA-N 1 1 417.466 0.480 20 5 HCBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000498502562 1078657625 /nfs/dbraw/zinc/65/76/25/1078657625.db2.gz HUMVLRQYPBDRGD-QGZVFWFLSA-N 1 1 417.466 0.480 20 5 HCBDMO CC[NH+]1CCN(CCNC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)CC1 ZINC000498527623 1078694422 /nfs/dbraw/zinc/69/44/22/1078694422.db2.gz RJFUBKPPOICFCX-UHFFFAOYSA-N 1 1 414.466 0.816 20 5 HCBDMO CC[N@H+]1C[C@@H](C)N(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000498566295 1078729494 /nfs/dbraw/zinc/72/94/94/1078729494.db2.gz IWSHPQLEMIJKNF-CHWSQXEVSA-N 1 1 413.500 0.985 20 5 HCBDMO CC[N@H+]1C[C@H](C)N(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000498566296 1078729390 /nfs/dbraw/zinc/72/93/90/1078729390.db2.gz IWSHPQLEMIJKNF-OLZOCXBDSA-N 1 1 413.500 0.985 20 5 HCBDMO CC[N@H+]1C[C@@H](C)N(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000498566297 1078729560 /nfs/dbraw/zinc/72/95/60/1078729560.db2.gz IWSHPQLEMIJKNF-QWHCGFSZSA-N 1 1 413.500 0.985 20 5 HCBDMO CC[N@H+]1C[C@H](C)N(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000498566298 1078729527 /nfs/dbraw/zinc/72/95/27/1078729527.db2.gz IWSHPQLEMIJKNF-STQMWFEESA-N 1 1 413.500 0.985 20 5 HCBDMO Cc1nn(C)c(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1[N+](=O)[O-] ZINC000498584270 1078744557 /nfs/dbraw/zinc/74/45/57/1078744557.db2.gz QKBGCCUSCKIPHV-UHFFFAOYSA-N 1 1 400.439 0.954 20 5 HCBDMO COCCOc1cc([N+](=O)[O-])c(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000498599819 1078758087 /nfs/dbraw/zinc/75/80/87/1078758087.db2.gz SCARACBGQDZWAY-UHFFFAOYSA-N 1 1 424.454 0.523 20 5 HCBDMO COCC[N@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000498776728 1078873568 /nfs/dbraw/zinc/87/35/68/1078873568.db2.gz ZEQAPHKUEQUPPY-UHFFFAOYSA-N 1 1 414.484 0.444 20 5 HCBDMO CNS(=O)(=O)c1ccc(N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000498851991 1078918587 /nfs/dbraw/zinc/91/85/87/1078918587.db2.gz FQGAARQUYMBMML-HNNXBMFYSA-N 1 1 411.484 0.246 20 5 HCBDMO CNS(=O)(=O)c1ccc(N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000498851993 1078918667 /nfs/dbraw/zinc/91/86/67/1078918667.db2.gz FQGAARQUYMBMML-OAHLLOKOSA-N 1 1 411.484 0.246 20 5 HCBDMO 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CC[N@H+]1C[C@@H](C)N(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000499032711 1079016573 /nfs/dbraw/zinc/01/65/73/1079016573.db2.gz ZJHQWMOZPAGGGZ-ZIAGYGMSSA-N 1 1 413.500 0.997 20 5 HCBDMO CC[N@H+]1C[C@H](C)N(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000499094725 1079039209 /nfs/dbraw/zinc/03/92/09/1079039209.db2.gz VKHWKBFWYRMRGZ-KBPBESRZSA-N 1 1 413.500 0.997 20 5 HCBDMO CC[N@H+]1C[C@H](C)N(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000499094726 1079039340 /nfs/dbraw/zinc/03/93/40/1079039340.db2.gz VKHWKBFWYRMRGZ-KGLIPLIRSA-N 1 1 413.500 0.997 20 5 HCBDMO CC[N@H+]1C[C@@H](C)N(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000499094727 1079039797 /nfs/dbraw/zinc/03/97/97/1079039797.db2.gz VKHWKBFWYRMRGZ-UONOGXRCSA-N 1 1 413.500 0.997 20 5 HCBDMO CC[N@H+]1C[C@@H](C)N(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000499094728 1079039765 /nfs/dbraw/zinc/03/97/65/1079039765.db2.gz VKHWKBFWYRMRGZ-ZIAGYGMSSA-N 1 1 413.500 0.997 20 5 HCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000499655160 1080871657 /nfs/dbraw/zinc/87/16/57/1080871657.db2.gz FDBLUYQSZMLLFQ-UHFFFAOYSA-N 1 1 403.414 0.834 20 5 HCBDMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2)CC1 ZINC000499698040 1081068649 /nfs/dbraw/zinc/06/86/49/1081068649.db2.gz WKACPMZKJFNLJZ-UHFFFAOYSA-N 1 1 413.434 0.461 20 5 HCBDMO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000499710901 1081092113 /nfs/dbraw/zinc/09/21/13/1081092113.db2.gz FGXBDEGSDULUDR-UHFFFAOYSA-N 1 1 416.434 0.948 20 5 HCBDMO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000499710901 1081092108 /nfs/dbraw/zinc/09/21/08/1081092108.db2.gz FGXBDEGSDULUDR-UHFFFAOYSA-N 1 1 416.434 0.948 20 5 HCBDMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2)CC1 ZINC000499721341 1081113052 /nfs/dbraw/zinc/11/30/52/1081113052.db2.gz KBXSHVDLTAXULA-UHFFFAOYSA-N 1 1 413.434 0.712 20 5 HCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000499745078 1081152577 /nfs/dbraw/zinc/15/25/77/1081152577.db2.gz VXLHEKVXFXGWEN-UHFFFAOYSA-N 1 1 406.361 0.870 20 5 HCBDMO CN(C(=O)c1c(N)cccc1[N+](=O)[O-])C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000499979963 1081339916 /nfs/dbraw/zinc/33/99/16/1081339916.db2.gz FGTLTSYZMJLPDV-UHFFFAOYSA-N 1 1 418.498 0.487 20 5 HCBDMO C[NH+]1CCN(C(=O)C2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])CC2)CC1 ZINC000509036238 1081365403 /nfs/dbraw/zinc/36/54/03/1081365403.db2.gz AOZCXRPMYGNKGS-UHFFFAOYSA-N 1 1 411.484 0.233 20 5 HCBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000509063240 1081375837 /nfs/dbraw/zinc/37/58/37/1081375837.db2.gz BUXYELXTWKGZSX-INIZCTEOSA-N 1 1 419.438 0.885 20 5 HCBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000509063241 1081375642 /nfs/dbraw/zinc/37/56/42/1081375642.db2.gz BUXYELXTWKGZSX-MRXNPFEDSA-N 1 1 419.438 0.885 20 5 HCBDMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000509712518 1074689532 /nfs/dbraw/zinc/68/95/32/1074689532.db2.gz DMHMABXFYNVMHF-UHFFFAOYSA-N 1 1 407.471 0.328 20 5 HCBDMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000509722258 1074683721 /nfs/dbraw/zinc/68/37/21/1074683721.db2.gz QFZHSIPTWLDLDY-UHFFFAOYSA-N 1 1 407.471 0.328 20 5 HCBDMO CCn1cc(S(=O)(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c([N+](=O)[O-])n1 ZINC000534412299 1074610767 /nfs/dbraw/zinc/61/07/67/1074610767.db2.gz PVLVDBUVYSSEKT-YIONKMFJSA-N 1 1 412.516 0.743 20 5 HCBDMO CCc1[nH+]ccn1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000534497614 1074633182 /nfs/dbraw/zinc/63/31/82/1074633182.db2.gz KOQPXFTYGCKNLH-UHFFFAOYSA-N 1 1 407.452 0.887 20 5 HCBDMO O=[N+]([O-])c1sc(N2CC[NH+](CCCO)CC2)nc1N1CCN(CCCO)CC1 ZINC000534603755 1074660380 /nfs/dbraw/zinc/66/03/80/1074660380.db2.gz PJFUYYRDZXHODU-UHFFFAOYSA-N 1 1 414.532 0.060 20 5 HCBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CC1 ZINC000534711080 1074679767 /nfs/dbraw/zinc/67/97/67/1074679767.db2.gz IRNWGSWVGPMOCF-GFCCVEGCSA-N 1 1 400.457 0.079 20 5 HCBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CC1 ZINC000534711088 1074679988 /nfs/dbraw/zinc/67/99/88/1074679988.db2.gz IRNWGSWVGPMOCF-LBPRGKRZSA-N 1 1 400.457 0.079 20 5 HCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000534919718 1074735002 /nfs/dbraw/zinc/73/50/02/1074735002.db2.gz CFJMZNYMMCLPTD-DLBZAZTESA-N 1 1 400.435 0.756 20 5 HCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000534919718 1074734994 /nfs/dbraw/zinc/73/49/94/1074734994.db2.gz CFJMZNYMMCLPTD-DLBZAZTESA-N 1 1 400.435 0.756 20 5 HCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000534919719 1074734829 /nfs/dbraw/zinc/73/48/29/1074734829.db2.gz CFJMZNYMMCLPTD-IAGOWNOFSA-N 1 1 400.435 0.756 20 5 HCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000534919719 1074734818 /nfs/dbraw/zinc/73/48/18/1074734818.db2.gz CFJMZNYMMCLPTD-IAGOWNOFSA-N 1 1 400.435 0.756 20 5 HCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000534919720 1074734980 /nfs/dbraw/zinc/73/49/80/1074734980.db2.gz CFJMZNYMMCLPTD-IRXDYDNUSA-N 1 1 400.435 0.756 20 5 HCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000534919720 1074734973 /nfs/dbraw/zinc/73/49/73/1074734973.db2.gz CFJMZNYMMCLPTD-IRXDYDNUSA-N 1 1 400.435 0.756 20 5 HCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000534919721 1074734791 /nfs/dbraw/zinc/73/47/91/1074734791.db2.gz CFJMZNYMMCLPTD-SJORKVTESA-N 1 1 400.435 0.756 20 5 HCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000534919721 1074734781 /nfs/dbraw/zinc/73/47/81/1074734781.db2.gz CFJMZNYMMCLPTD-SJORKVTESA-N 1 1 400.435 0.756 20 5 HCBDMO O=C(NCCCCN1CC[NH+](CCO)CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000535379188 1074796191 /nfs/dbraw/zinc/79/61/91/1074796191.db2.gz TWBPTMSSHWLBKU-UHFFFAOYSA-N 1 1 408.455 0.486 20 5 HCBDMO O=C(NCCCCN1CC[NH+](CCO)CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000535380276 1074796654 /nfs/dbraw/zinc/79/66/54/1074796654.db2.gz FPNKFNFOPTZOBE-UHFFFAOYSA-N 1 1 416.482 0.900 20 5 HCBDMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCCc1cccc([N+](=O)[O-])c1 ZINC000535482590 1074810927 /nfs/dbraw/zinc/81/09/27/1074810927.db2.gz DVEHSKXAJCDDIG-GOSISDBHSA-N 1 1 404.467 0.967 20 5 HCBDMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCc1cccc([N+](=O)[O-])c1 ZINC000535482596 1074810866 /nfs/dbraw/zinc/81/08/66/1074810866.db2.gz DVEHSKXAJCDDIG-SFHVURJKSA-N 1 1 404.467 0.967 20 5 HCBDMO CS(=O)(=O)c1ccc(N2CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)c([N+](=O)[O-])c1 ZINC000539451410 1075327024 /nfs/dbraw/zinc/32/70/24/1075327024.db2.gz ZMNANRVBOMZBKO-IYBDPMFKSA-N 1 1 424.523 0.984 20 5 HCBDMO CS(=O)(=O)c1ccc(N2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)c([N+](=O)[O-])c1 ZINC000539451410 1075327021 /nfs/dbraw/zinc/32/70/21/1075327021.db2.gz ZMNANRVBOMZBKO-IYBDPMFKSA-N 1 1 424.523 0.984 20 5 HCBDMO C[N@@H+](CCCO)C1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000539489229 1075346945 /nfs/dbraw/zinc/34/69/45/1075346945.db2.gz PLTNXLOVTOLJNS-UHFFFAOYSA-N 1 1 414.484 0.178 20 5 HCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC000539608968 1075394624 /nfs/dbraw/zinc/39/46/24/1075394624.db2.gz FAUIROANVYPNHO-UHFFFAOYSA-N 1 1 405.455 0.372 20 5 HCBDMO COc1cc(C[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000539703010 1075436475 /nfs/dbraw/zinc/43/64/75/1075436475.db2.gz SVVKEKYWQLBENO-HNNXBMFYSA-N 1 1 408.455 0.635 20 5 HCBDMO COc1cc(C[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000539703011 1075436356 /nfs/dbraw/zinc/43/63/56/1075436356.db2.gz SVVKEKYWQLBENO-OAHLLOKOSA-N 1 1 408.455 0.635 20 5 HCBDMO Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000539978646 1075527848 /nfs/dbraw/zinc/52/78/48/1075527848.db2.gz RUNMRONGSMXXCD-UHFFFAOYSA-N 1 1 420.499 0.637 20 5 HCBDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000540005509 1075530288 /nfs/dbraw/zinc/53/02/88/1075530288.db2.gz UFXUJHIWXWMXBW-CYBMUJFWSA-N 1 1 400.457 0.946 20 5 HCBDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000540005510 1075530309 /nfs/dbraw/zinc/53/03/09/1075530309.db2.gz UFXUJHIWXWMXBW-ZDUSSCGKSA-N 1 1 400.457 0.946 20 5 HCBDMO CCOCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000540055154 1075551235 /nfs/dbraw/zinc/55/12/35/1075551235.db2.gz FTYHASPJCLAPSO-UHFFFAOYSA-N 1 1 414.484 0.396 20 5 HCBDMO CCOCC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000540055154 1075551228 /nfs/dbraw/zinc/55/12/28/1075551228.db2.gz FTYHASPJCLAPSO-UHFFFAOYSA-N 1 1 414.484 0.396 20 5 HCBDMO C[C@H]1C[NH+](CCOC2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)C[C@H](C)O1 ZINC000540230636 1075586419 /nfs/dbraw/zinc/58/64/19/1075586419.db2.gz PXQRRYNOMBOFJK-HOTGVXAUSA-N 1 1 422.482 0.873 20 5 HCBDMO C[C@@H]1C[NH+](CCOC2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)C[C@@H](C)O1 ZINC000540230637 1075586520 /nfs/dbraw/zinc/58/65/20/1075586520.db2.gz PXQRRYNOMBOFJK-HZPDHXFCSA-N 1 1 422.482 0.873 20 5 HCBDMO C[C@@H]1C[N@H+](CCOC2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)C[C@H](C)O1 ZINC000540230638 1075586350 /nfs/dbraw/zinc/58/63/50/1075586350.db2.gz PXQRRYNOMBOFJK-IYBDPMFKSA-N 1 1 422.482 0.873 20 5 HCBDMO C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)C[C@H](C)O1 ZINC000540230638 1075586342 /nfs/dbraw/zinc/58/63/42/1075586342.db2.gz PXQRRYNOMBOFJK-IYBDPMFKSA-N 1 1 422.482 0.873 20 5 HCBDMO Cc1nnc(CCNc2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])[nH]1 ZINC000540296240 1075607677 /nfs/dbraw/zinc/60/76/77/1075607677.db2.gz KPCCDOSSWIMUGG-UHFFFAOYSA-N 1 1 411.488 0.906 20 5 HCBDMO Cc1nc(CCNc2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])n[nH]1 ZINC000540296240 1075607675 /nfs/dbraw/zinc/60/76/75/1075607675.db2.gz KPCCDOSSWIMUGG-UHFFFAOYSA-N 1 1 411.488 0.906 20 5 HCBDMO C[C@@H]([NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000540376257 1075640886 /nfs/dbraw/zinc/64/08/86/1075640886.db2.gz LUAJPGDFLUIIHJ-PBHICJAKSA-N 1 1 410.496 0.577 20 5 HCBDMO C[C@@H]([NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000540376258 1075640823 /nfs/dbraw/zinc/64/08/23/1075640823.db2.gz LUAJPGDFLUIIHJ-RHSMWYFYSA-N 1 1 410.496 0.577 20 5 HCBDMO C[C@H]([NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000540376259 1075640855 /nfs/dbraw/zinc/64/08/55/1075640855.db2.gz LUAJPGDFLUIIHJ-WMLDXEAASA-N 1 1 410.496 0.577 20 5 HCBDMO C[C@H]([NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000540376260 1075640843 /nfs/dbraw/zinc/64/08/43/1075640843.db2.gz LUAJPGDFLUIIHJ-YOEHRIQHSA-N 1 1 410.496 0.577 20 5 HCBDMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C1 ZINC000540446931 1075671777 /nfs/dbraw/zinc/67/17/77/1075671777.db2.gz WKAVLQTVSHTKHC-KBPBESRZSA-N 1 1 422.438 0.888 20 5 HCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C1 ZINC000540446931 1075671769 /nfs/dbraw/zinc/67/17/69/1075671769.db2.gz WKAVLQTVSHTKHC-KBPBESRZSA-N 1 1 422.438 0.888 20 5 HCBDMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)C1 ZINC000540446934 1075671710 /nfs/dbraw/zinc/67/17/10/1075671710.db2.gz WKAVLQTVSHTKHC-KGLIPLIRSA-N 1 1 422.438 0.888 20 5 HCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)C1 ZINC000540446934 1075671703 /nfs/dbraw/zinc/67/17/03/1075671703.db2.gz WKAVLQTVSHTKHC-KGLIPLIRSA-N 1 1 422.438 0.888 20 5 HCBDMO COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C1 ZINC000540446936 1075671740 /nfs/dbraw/zinc/67/17/40/1075671740.db2.gz WKAVLQTVSHTKHC-UONOGXRCSA-N 1 1 422.438 0.888 20 5 HCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C1 ZINC000540446936 1075671730 /nfs/dbraw/zinc/67/17/30/1075671730.db2.gz WKAVLQTVSHTKHC-UONOGXRCSA-N 1 1 422.438 0.888 20 5 HCBDMO COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)C1 ZINC000540446938 1075671892 /nfs/dbraw/zinc/67/18/92/1075671892.db2.gz WKAVLQTVSHTKHC-ZIAGYGMSSA-N 1 1 422.438 0.888 20 5 HCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)C1 ZINC000540446938 1075671889 /nfs/dbraw/zinc/67/18/89/1075671889.db2.gz WKAVLQTVSHTKHC-ZIAGYGMSSA-N 1 1 422.438 0.888 20 5 HCBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000540463321 1075675170 /nfs/dbraw/zinc/67/51/70/1075675170.db2.gz IXWWNQAVJCEMSD-UHFFFAOYSA-N 1 1 403.432 0.582 20 5 HCBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000540464951 1075676386 /nfs/dbraw/zinc/67/63/86/1075676386.db2.gz ZMJLKSYFOLVFBS-UHFFFAOYSA-N 1 1 415.468 0.451 20 5 HCBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C)C[NH+]1CCOCC1 ZINC000540530372 1075702851 /nfs/dbraw/zinc/70/28/51/1075702851.db2.gz NJERUSYFZIAIQT-GFCCVEGCSA-N 1 1 421.483 0.968 20 5 HCBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C)C[NH+]1CCOCC1 ZINC000540530375 1075702867 /nfs/dbraw/zinc/70/28/67/1075702867.db2.gz NJERUSYFZIAIQT-LBPRGKRZSA-N 1 1 421.483 0.968 20 5 HCBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 ZINC000540567281 1075712958 /nfs/dbraw/zinc/71/29/58/1075712958.db2.gz YZWFQQUSSRWBEP-UHFFFAOYSA-N 1 1 419.463 0.909 20 5 HCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000540726432 1075769433 /nfs/dbraw/zinc/76/94/33/1075769433.db2.gz VYCIPDFPTAYRDL-HNNXBMFYSA-N 1 1 419.482 0.749 20 5 HCBDMO Cc1cc(C(=O)NCC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000541091682 1075841477 /nfs/dbraw/zinc/84/14/77/1075841477.db2.gz GZDJWVCGSLQBKP-KRWDZBQOSA-N 1 1 419.482 0.692 20 5 HCBDMO Cc1cc(C(=O)NCC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000541091683 1075841513 /nfs/dbraw/zinc/84/15/13/1075841513.db2.gz GZDJWVCGSLQBKP-QGZVFWFLSA-N 1 1 419.482 0.692 20 5 HCBDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000541095935 1075842906 /nfs/dbraw/zinc/84/29/06/1075842906.db2.gz QLUBLVQKPVRZCE-CYBMUJFWSA-N 1 1 422.438 0.429 20 5 HCBDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000541095936 1075842943 /nfs/dbraw/zinc/84/29/43/1075842943.db2.gz QLUBLVQKPVRZCE-ZDUSSCGKSA-N 1 1 422.438 0.429 20 5 HCBDMO COc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000541143999 1075847768 /nfs/dbraw/zinc/84/77/68/1075847768.db2.gz NJQCRJSBESVXBW-AWEZNQCLSA-N 1 1 419.438 0.307 20 5 HCBDMO COc1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000541147582 1075851887 /nfs/dbraw/zinc/85/18/87/1075851887.db2.gz MWGZGSCXXGPQMA-INIZCTEOSA-N 1 1 407.471 0.930 20 5 HCBDMO COc1ccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000541147583 1075851954 /nfs/dbraw/zinc/85/19/54/1075851954.db2.gz MWGZGSCXXGPQMA-MRXNPFEDSA-N 1 1 407.471 0.930 20 5 HCBDMO COc1ccc(C(=O)NCC(=O)NCC2CCN(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000541152752 1075849380 /nfs/dbraw/zinc/84/93/80/1075849380.db2.gz PAHSXXCSTFPSKE-UHFFFAOYSA-N 1 1 421.498 0.723 20 5 HCBDMO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541305379 1075872727 /nfs/dbraw/zinc/87/27/27/1075872727.db2.gz BRVUOHFWTDAIBC-INIZCTEOSA-N 1 1 410.427 0.698 20 5 HCBDMO NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541305380 1075872743 /nfs/dbraw/zinc/87/27/43/1075872743.db2.gz BRVUOHFWTDAIBC-MRXNPFEDSA-N 1 1 410.427 0.698 20 5 HCBDMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000541336000 1075874751 /nfs/dbraw/zinc/87/47/51/1075874751.db2.gz OUYGFNZJUFKNSC-AWEZNQCLSA-N 1 1 415.468 0.897 20 5 HCBDMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000541336001 1075874790 /nfs/dbraw/zinc/87/47/90/1075874790.db2.gz OUYGFNZJUFKNSC-CQSZACIVSA-N 1 1 415.468 0.897 20 5 HCBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000542523523 1077676260 /nfs/dbraw/zinc/67/62/60/1077676260.db2.gz ZURRUALWTDLPSW-AWEZNQCLSA-N 1 1 412.468 0.137 20 5 HCBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000542523523 1077676251 /nfs/dbraw/zinc/67/62/51/1077676251.db2.gz ZURRUALWTDLPSW-AWEZNQCLSA-N 1 1 412.468 0.137 20 5 HCBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000542523524 1077676305 /nfs/dbraw/zinc/67/63/05/1077676305.db2.gz ZURRUALWTDLPSW-CQSZACIVSA-N 1 1 412.468 0.137 20 5 HCBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000542523524 1077676299 /nfs/dbraw/zinc/67/62/99/1077676299.db2.gz ZURRUALWTDLPSW-CQSZACIVSA-N 1 1 412.468 0.137 20 5 HCBDMO O=C(Cn1c[nH+]c2c1CCCC2)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542689596 1080227776 /nfs/dbraw/zinc/22/77/76/1080227776.db2.gz LSHDMKVMAZGDKX-UHFFFAOYSA-N 1 1 407.452 0.765 20 5 HCBDMO CCn1cc(S(=O)(=O)N2CCC(C)(CN3CC[NH+](C)CC3)CC2)c([N+](=O)[O-])n1 ZINC000542763067 1080275906 /nfs/dbraw/zinc/27/59/06/1080275906.db2.gz ZQXRLKJBTYDOOJ-UHFFFAOYSA-N 1 1 414.532 0.849 20 5 HCBDMO CCn1cc(S(=O)(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])n1 ZINC000542844608 1080354270 /nfs/dbraw/zinc/35/42/70/1080354270.db2.gz UWZFIHLGPIJQIN-HNNXBMFYSA-N 1 1 409.468 0.856 20 5 HCBDMO CCn1cc(S(=O)(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])n1 ZINC000542844609 1080354056 /nfs/dbraw/zinc/35/40/56/1080354056.db2.gz UWZFIHLGPIJQIN-OAHLLOKOSA-N 1 1 409.468 0.856 20 5 HCBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000542996606 1080772416 /nfs/dbraw/zinc/77/24/16/1080772416.db2.gz WEWSGXDKDHTYPK-AWEZNQCLSA-N 1 1 407.471 0.932 20 5 HCBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000542996608 1080772475 /nfs/dbraw/zinc/77/24/75/1080772475.db2.gz WEWSGXDKDHTYPK-CQSZACIVSA-N 1 1 407.471 0.932 20 5 HCBDMO COc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000542996814 1080771528 /nfs/dbraw/zinc/77/15/28/1080771528.db2.gz GJOMXGQSCROZFY-AWEZNQCLSA-N 1 1 421.454 0.601 20 5 HCBDMO COc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000542996815 1080771602 /nfs/dbraw/zinc/77/16/02/1080771602.db2.gz GJOMXGQSCROZFY-CQSZACIVSA-N 1 1 421.454 0.601 20 5 HCBDMO COc1ccc(NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000543003331 1080790856 /nfs/dbraw/zinc/79/08/56/1080790856.db2.gz OPIXREQERCKBSX-UHFFFAOYSA-N 1 1 407.427 0.211 20 5 HCBDMO COc1ccc(NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000543005055 1080793202 /nfs/dbraw/zinc/79/32/02/1080793202.db2.gz KGDJAFVNJXBFFJ-UHFFFAOYSA-N 1 1 407.427 0.164 20 5 HCBDMO COC(=O)CC[N@H+]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000543008731 1080805764 /nfs/dbraw/zinc/80/57/64/1080805764.db2.gz DXRXMUOHYGFYTN-AWEZNQCLSA-N 1 1 406.439 0.729 20 5 HCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000543008731 1080805759 /nfs/dbraw/zinc/80/57/59/1080805759.db2.gz DXRXMUOHYGFYTN-AWEZNQCLSA-N 1 1 406.439 0.729 20 5 HCBDMO COC(=O)CC[N@H+]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000543008732 1080805694 /nfs/dbraw/zinc/80/56/94/1080805694.db2.gz DXRXMUOHYGFYTN-CQSZACIVSA-N 1 1 406.439 0.729 20 5 HCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000543008732 1080805692 /nfs/dbraw/zinc/80/56/92/1080805692.db2.gz DXRXMUOHYGFYTN-CQSZACIVSA-N 1 1 406.439 0.729 20 5 HCBDMO COc1ccc(C(=O)NCC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000543010914 1080813775 /nfs/dbraw/zinc/81/37/75/1080813775.db2.gz ABRVXPKRFLNSFG-UHFFFAOYSA-N 1 1 421.498 0.818 20 5 HCBDMO COc1ccc(C(=O)NCC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000543010914 1080813770 /nfs/dbraw/zinc/81/37/70/1080813770.db2.gz ABRVXPKRFLNSFG-UHFFFAOYSA-N 1 1 421.498 0.818 20 5 HCBDMO Cc1cc(C(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000543034730 1080845224 /nfs/dbraw/zinc/84/52/24/1080845224.db2.gz SXRRSLQLWAXSFA-KRWDZBQOSA-N 1 1 417.466 0.398 20 5 HCBDMO Cc1cc(C(=O)NCC(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000543034731 1080845136 /nfs/dbraw/zinc/84/51/36/1080845136.db2.gz SXRRSLQLWAXSFA-QGZVFWFLSA-N 1 1 417.466 0.398 20 5 HCBDMO Cn1ncc2c1ncnc2N1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000543140736 1080981432 /nfs/dbraw/zinc/98/14/32/1080981432.db2.gz SGUHRVUKHWDNRW-AWEZNQCLSA-N 1 1 413.438 0.833 20 5 HCBDMO Cn1ncc2c1ncnc2N1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000543140737 1080981270 /nfs/dbraw/zinc/98/12/70/1080981270.db2.gz SGUHRVUKHWDNRW-CQSZACIVSA-N 1 1 413.438 0.833 20 5 HCBDMO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000543162514 1081010650 /nfs/dbraw/zinc/01/06/50/1081010650.db2.gz DMAWVBSXRCAQNK-AWEZNQCLSA-N 1 1 410.427 0.698 20 5 HCBDMO NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000543162515 1081010886 /nfs/dbraw/zinc/01/08/86/1081010886.db2.gz DMAWVBSXRCAQNK-CQSZACIVSA-N 1 1 410.427 0.698 20 5 HCBDMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000543183269 1081024530 /nfs/dbraw/zinc/02/45/30/1081024530.db2.gz MDAFOLLIZWPQQP-ZDUSSCGKSA-N 1 1 401.441 0.771 20 5 HCBDMO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000543183269 1081024521 /nfs/dbraw/zinc/02/45/21/1081024521.db2.gz MDAFOLLIZWPQQP-ZDUSSCGKSA-N 1 1 401.441 0.771 20 5 HCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000543357408 1081138563 /nfs/dbraw/zinc/13/85/63/1081138563.db2.gz XHKMDKSTSWVAPN-GOSISDBHSA-N 1 1 420.466 0.933 20 5 HCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000543357417 1081138403 /nfs/dbraw/zinc/13/84/03/1081138403.db2.gz XHKMDKSTSWVAPN-SFHVURJKSA-N 1 1 420.466 0.933 20 5 HCBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1=O ZINC000552345318 1079574965 /nfs/dbraw/zinc/57/49/65/1079574965.db2.gz SNLVCGXTSBEXGW-ZDUSSCGKSA-N 1 1 403.439 0.985 20 5 HCBDMO C[C@@H](CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C[NH+]1CCOCC1 ZINC000552537939 1079578937 /nfs/dbraw/zinc/57/89/37/1079578937.db2.gz YESXFAKLGKHROM-AWEZNQCLSA-N 1 1 408.459 0.039 20 5 HCBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000552706202 1079584911 /nfs/dbraw/zinc/58/49/11/1079584911.db2.gz ANKNQTHTAUHOPM-INIZCTEOSA-N 1 1 418.498 0.875 20 5 HCBDMO CC[NH+]1CCN(C(=O)CC2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)CC1 ZINC000553210619 1080035107 /nfs/dbraw/zinc/03/51/07/1080035107.db2.gz IUVWJTIGKPINOC-UHFFFAOYSA-N 1 1 404.471 0.859 20 5 HCBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C1 ZINC000553327837 1080058129 /nfs/dbraw/zinc/05/81/29/1080058129.db2.gz SYXNTLOPLDEUOJ-CQSZACIVSA-N 1 1 410.496 0.989 20 5 HCBDMO CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000554181583 1080307758 /nfs/dbraw/zinc/30/77/58/1080307758.db2.gz CTJSSBPBPGYGLY-CYBMUJFWSA-N 1 1 423.495 0.541 20 5 HCBDMO C[N@H+]1CCN(CCNC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1(C)C ZINC000554490463 1080321957 /nfs/dbraw/zinc/32/19/57/1080321957.db2.gz GNIXKXLUHYKFKE-UHFFFAOYSA-N 1 1 403.483 0.622 20 5 HCBDMO CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000554576905 1080321807 /nfs/dbraw/zinc/32/18/07/1080321807.db2.gz NTWQSDUNJNMROT-UHFFFAOYSA-N 1 1 402.455 0.407 20 5 HCBDMO C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000555579546 1081373993 /nfs/dbraw/zinc/37/39/93/1081373993.db2.gz LZNKWMSLWBBGGO-NSHDSACASA-N 1 1 400.457 0.159 20 5 HCBDMO C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000555579546 1081373987 /nfs/dbraw/zinc/37/39/87/1081373987.db2.gz LZNKWMSLWBBGGO-NSHDSACASA-N 1 1 400.457 0.159 20 5 HCBDMO C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000556172355 1078481854 /nfs/dbraw/zinc/48/18/54/1078481854.db2.gz WRBZJJYFAMULSQ-UHFFFAOYSA-N 1 1 403.483 0.623 20 5 HCBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000556239447 1078549382 /nfs/dbraw/zinc/54/93/82/1078549382.db2.gz CDZBJADNPVKMDL-HNNXBMFYSA-N 1 1 401.467 0.844 20 5 HCBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000556239448 1078549143 /nfs/dbraw/zinc/54/91/43/1078549143.db2.gz CDZBJADNPVKMDL-OAHLLOKOSA-N 1 1 401.467 0.844 20 5 HCBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000556366982 1078656971 /nfs/dbraw/zinc/65/69/71/1078656971.db2.gz XYEWXAWSSDFUDZ-CVEARBPZSA-N 1 1 401.467 0.986 20 5 HCBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000556366983 1078656897 /nfs/dbraw/zinc/65/68/97/1078656897.db2.gz XYEWXAWSSDFUDZ-HOTGVXAUSA-N 1 1 401.467 0.986 20 5 HCBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000556366984 1078656913 /nfs/dbraw/zinc/65/69/13/1078656913.db2.gz XYEWXAWSSDFUDZ-HZPDHXFCSA-N 1 1 401.467 0.986 20 5 HCBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000556366985 1078656951 /nfs/dbraw/zinc/65/69/51/1078656951.db2.gz XYEWXAWSSDFUDZ-JKSUJKDBSA-N 1 1 401.467 0.986 20 5 HCBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1=O ZINC000556929076 1079037123 /nfs/dbraw/zinc/03/71/23/1079037123.db2.gz VDYGIJUKUWBAFQ-HNNXBMFYSA-N 1 1 408.455 0.821 20 5 HCBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1=O ZINC000556929077 1079037210 /nfs/dbraw/zinc/03/72/10/1079037210.db2.gz VDYGIJUKUWBAFQ-OAHLLOKOSA-N 1 1 408.455 0.821 20 5 HCBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000603448865 1073523511 /nfs/dbraw/zinc/52/35/11/1073523511.db2.gz KORXUCMDUZLICS-CYBMUJFWSA-N 1 1 402.407 0.514 20 5 HCBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000603448866 1073523632 /nfs/dbraw/zinc/52/36/32/1073523632.db2.gz KORXUCMDUZLICS-ZDUSSCGKSA-N 1 1 402.407 0.514 20 5 HCBDMO COC(=O)CNC(=O)c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000603456072 1073519610 /nfs/dbraw/zinc/51/96/10/1073519610.db2.gz UXNAJQSQNNEQEC-HNNXBMFYSA-N 1 1 406.439 0.799 20 5 HCBDMO COC(=O)CNC(=O)c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000603456073 1073519463 /nfs/dbraw/zinc/51/94/63/1073519463.db2.gz UXNAJQSQNNEQEC-OAHLLOKOSA-N 1 1 406.439 0.799 20 5 HCBDMO Cc1c(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000603492167 1073535488 /nfs/dbraw/zinc/53/54/88/1073535488.db2.gz PEXNYAWBZWAESZ-UHFFFAOYSA-N 1 1 401.427 0.330 20 5 HCBDMO COc1ccc(C(=O)NCC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000603499633 1073546510 /nfs/dbraw/zinc/54/65/10/1073546510.db2.gz GVXZCVYPMCVRDA-HNNXBMFYSA-N 1 1 406.439 0.656 20 5 HCBDMO COc1ccc(C(=O)NCC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000603499634 1073546448 /nfs/dbraw/zinc/54/64/48/1073546448.db2.gz GVXZCVYPMCVRDA-OAHLLOKOSA-N 1 1 406.439 0.656 20 5 HCBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000603581906 1073571692 /nfs/dbraw/zinc/57/16/92/1073571692.db2.gz BNGINDFRJWPRRQ-GOSISDBHSA-N 1 1 420.514 0.585 20 5 HCBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000603581907 1073571899 /nfs/dbraw/zinc/57/18/99/1073571899.db2.gz BNGINDFRJWPRRQ-SFHVURJKSA-N 1 1 420.514 0.585 20 5 HCBDMO C[C@@H]1C[N@H+](CCCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000603586683 1073574423 /nfs/dbraw/zinc/57/44/23/1073574423.db2.gz XNPGXKYKQUIHPV-OKILXGFUSA-N 1 1 406.439 0.936 20 5 HCBDMO CNC(=O)C[NH+]1CCC(Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000603595890 1073570650 /nfs/dbraw/zinc/57/06/50/1073570650.db2.gz WBZARRINTFBIJK-UHFFFAOYSA-N 1 1 405.455 0.690 20 5 HCBDMO O=C(NCCC[NH+]1CCOCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000603746450 1073614131 /nfs/dbraw/zinc/61/41/31/1073614131.db2.gz ROVDJJMHRVMWPN-UHFFFAOYSA-N 1 1 411.484 0.846 20 5 HCBDMO CN1CC[NH+](C(C)(C)CNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000603805727 1073631484 /nfs/dbraw/zinc/63/14/84/1073631484.db2.gz ALZBOAYKKDRIJJ-UHFFFAOYSA-N 1 1 405.503 0.847 20 5 HCBDMO CN(C)CC[NH+]1CCC(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000603808224 1073632374 /nfs/dbraw/zinc/63/23/74/1073632374.db2.gz BAFJWGLXZQZONC-UHFFFAOYSA-N 1 1 405.503 0.847 20 5 HCBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000603819992 1073636954 /nfs/dbraw/zinc/63/69/54/1073636954.db2.gz NIRKXYBUMIZZPK-UHFFFAOYSA-N 1 1 419.467 0.710 20 5 HCBDMO COc1ccc(C(=O)NCC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000603839674 1073637853 /nfs/dbraw/zinc/63/78/53/1073637853.db2.gz WXSDROHJURUIMZ-OKILXGFUSA-N 1 1 408.455 0.949 20 5 HCBDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)CC1 ZINC000603895085 1073652381 /nfs/dbraw/zinc/65/23/81/1073652381.db2.gz NYUVIQBYMZDOGK-UHFFFAOYSA-N 1 1 418.450 0.992 20 5 HCBDMO C[NH+]1CCN(C(=O)C2CCN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)CC2)CC1 ZINC000603930410 1073664828 /nfs/dbraw/zinc/66/48/28/1073664828.db2.gz VYXHJTAEULNRRQ-UHFFFAOYSA-N 1 1 411.484 0.233 20 5 HCBDMO NS(=O)(=O)c1cc(NCCC[NH+]2CCN(c3ncccn3)CC2)cc([N+](=O)[O-])c1 ZINC000603931748 1073664628 /nfs/dbraw/zinc/66/46/28/1073664628.db2.gz HGFNGGQYMVDADC-UHFFFAOYSA-N 1 1 421.483 0.656 20 5 HCBDMO NS(=O)(=O)c1cc(NCC[NH+]2CCN(c3ncccn3)CC2)cc([N+](=O)[O-])c1 ZINC000603932739 1073665042 /nfs/dbraw/zinc/66/50/42/1073665042.db2.gz YRDKDCXUMCKOII-UHFFFAOYSA-N 1 1 407.456 0.266 20 5 HCBDMO C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000604033093 1073684970 /nfs/dbraw/zinc/68/49/70/1073684970.db2.gz PHRXDXWPLXLZBQ-UHFFFAOYSA-N 1 1 410.496 0.911 20 5 HCBDMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000604130620 1073713233 /nfs/dbraw/zinc/71/32/33/1073713233.db2.gz QTYNTSIGKGKSAM-UHFFFAOYSA-N 1 1 402.354 0.973 20 5 HCBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000604349835 1073785302 /nfs/dbraw/zinc/78/53/02/1073785302.db2.gz JHZULUQMGIGJKL-UHFFFAOYSA-N 1 1 412.512 0.932 20 5 HCBDMO COCC[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604433096 1073806302 /nfs/dbraw/zinc/80/63/02/1073806302.db2.gz HCKGBKXLYRPAPO-UHFFFAOYSA-N 1 1 400.457 0.054 20 5 HCBDMO CN1CC[NH+](CCCNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604436898 1073807063 /nfs/dbraw/zinc/80/70/63/1073807063.db2.gz RURDDJVWWYBENQ-UHFFFAOYSA-N 1 1 413.500 0.017 20 5 HCBDMO C[NH+]1CCN(CCCCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000604438706 1073807121 /nfs/dbraw/zinc/80/71/21/1073807121.db2.gz MDPZTGOBUMTEQP-UHFFFAOYSA-N 1 1 403.439 0.335 20 5 HCBDMO COCCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000604468725 1073807945 /nfs/dbraw/zinc/80/79/45/1073807945.db2.gz SLRCHAJCBCAEJE-UHFFFAOYSA-N 1 1 414.484 0.396 20 5 HCBDMO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000604524338 1073811661 /nfs/dbraw/zinc/81/16/61/1073811661.db2.gz VCPHCPGMAZSXHH-KRWDZBQOSA-N 1 1 405.455 0.717 20 5 HCBDMO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000604524339 1073811564 /nfs/dbraw/zinc/81/15/64/1073811564.db2.gz VCPHCPGMAZSXHH-QGZVFWFLSA-N 1 1 405.455 0.717 20 5 HCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604526733 1073815002 /nfs/dbraw/zinc/81/50/02/1073815002.db2.gz JGZKIQFQRSDJFZ-INIZCTEOSA-N 1 1 403.439 0.265 20 5 HCBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604526734 1073814523 /nfs/dbraw/zinc/81/45/23/1073814523.db2.gz JGZKIQFQRSDJFZ-MRXNPFEDSA-N 1 1 403.439 0.265 20 5 HCBDMO C[NH+]1CCN([C@@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2cccs2)CC1 ZINC000604532882 1073815936 /nfs/dbraw/zinc/81/59/36/1073815936.db2.gz NEIWGRBQSFJONZ-HNNXBMFYSA-N 1 1 405.480 0.923 20 5 HCBDMO C[NH+]1CCN([C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2cccs2)CC1 ZINC000604532883 1073815885 /nfs/dbraw/zinc/81/58/85/1073815885.db2.gz NEIWGRBQSFJONZ-OAHLLOKOSA-N 1 1 405.480 0.923 20 5 HCBDMO Cc1[nH+]ccn1CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000604535585 1073816313 /nfs/dbraw/zinc/81/63/13/1073816313.db2.gz WPINLBANZNWAJQ-UHFFFAOYSA-N 1 1 422.467 0.816 20 5 HCBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000604573331 1073818145 /nfs/dbraw/zinc/81/81/45/1073818145.db2.gz IPILPALCHZXDFQ-AWEZNQCLSA-N 1 1 416.434 0.904 20 5 HCBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000604573332 1073818218 /nfs/dbraw/zinc/81/82/18/1073818218.db2.gz IPILPALCHZXDFQ-CQSZACIVSA-N 1 1 416.434 0.904 20 5 HCBDMO CC(C)[N@@H+](C)CCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000608795338 1074507535 /nfs/dbraw/zinc/50/75/35/1074507535.db2.gz OWROSJFRUWNIIR-UHFFFAOYSA-N 1 1 413.500 0.951 20 5 HCBDMO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000608798450 1074507953 /nfs/dbraw/zinc/50/79/53/1074507953.db2.gz JLDLWCWUFWEICG-HNNXBMFYSA-N 1 1 405.455 0.901 20 5 HCBDMO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000608798451 1074508470 /nfs/dbraw/zinc/50/84/70/1074508470.db2.gz JLDLWCWUFWEICG-OAHLLOKOSA-N 1 1 405.455 0.901 20 5 HCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000608799806 1074505507 /nfs/dbraw/zinc/50/55/07/1074505507.db2.gz KCZDPXQFNZIOFO-CXAGYDPISA-N 1 1 417.466 0.654 20 5 HCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000608799807 1074505640 /nfs/dbraw/zinc/50/56/40/1074505640.db2.gz KCZDPXQFNZIOFO-DYVFJYSZSA-N 1 1 417.466 0.654 20 5 HCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000608799808 1074505371 /nfs/dbraw/zinc/50/53/71/1074505371.db2.gz KCZDPXQFNZIOFO-GUYCJALGSA-N 1 1 417.466 0.654 20 5 HCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000608799809 1074505551 /nfs/dbraw/zinc/50/55/51/1074505551.db2.gz KCZDPXQFNZIOFO-SUMWQHHRSA-N 1 1 417.466 0.654 20 5 HCBDMO CC(C)(C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000608811029 1074506568 /nfs/dbraw/zinc/50/65/68/1074506568.db2.gz AXAZMCNXEWDCLU-UHFFFAOYSA-N 1 1 402.459 0.645 20 5 HCBDMO Cc1nn(CCC(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000608838952 1074510242 /nfs/dbraw/zinc/51/02/42/1074510242.db2.gz FHEKMVVFXHXOCS-UHFFFAOYSA-N 1 1 406.487 0.955 20 5 HCBDMO Cc1nn(CCC(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000608838952 1074510224 /nfs/dbraw/zinc/51/02/24/1074510224.db2.gz FHEKMVVFXHXOCS-UHFFFAOYSA-N 1 1 406.487 0.955 20 5 HCBDMO CC[N@@H+](CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000608842140 1074510191 /nfs/dbraw/zinc/51/01/91/1074510191.db2.gz KBYPVXSSHSQGCJ-UHFFFAOYSA-N 1 1 401.489 0.903 20 5 HCBDMO CC[N@@H+](CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000608842190 1074510363 /nfs/dbraw/zinc/51/03/63/1074510363.db2.gz KRVUTMGABGFETQ-UHFFFAOYSA-N 1 1 401.489 0.903 20 5 HCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000608858000 1074516725 /nfs/dbraw/zinc/51/67/25/1074516725.db2.gz JVQWJMRFCQMXMX-AWEZNQCLSA-N 1 1 400.432 0.837 20 5 HCBDMO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000608858000 1074516720 /nfs/dbraw/zinc/51/67/20/1074516720.db2.gz JVQWJMRFCQMXMX-AWEZNQCLSA-N 1 1 400.432 0.837 20 5 HCBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000608858001 1074516913 /nfs/dbraw/zinc/51/69/13/1074516913.db2.gz JVQWJMRFCQMXMX-CQSZACIVSA-N 1 1 400.432 0.837 20 5 HCBDMO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000608858001 1074516904 /nfs/dbraw/zinc/51/69/04/1074516904.db2.gz JVQWJMRFCQMXMX-CQSZACIVSA-N 1 1 400.432 0.837 20 5 HCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000608858380 1074516848 /nfs/dbraw/zinc/51/68/48/1074516848.db2.gz UIQFDTZDTISMEA-AWEZNQCLSA-N 1 1 400.432 0.837 20 5 HCBDMO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000608858380 1074516835 /nfs/dbraw/zinc/51/68/35/1074516835.db2.gz UIQFDTZDTISMEA-AWEZNQCLSA-N 1 1 400.432 0.837 20 5 HCBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000608858381 1074516997 /nfs/dbraw/zinc/51/69/97/1074516997.db2.gz UIQFDTZDTISMEA-CQSZACIVSA-N 1 1 400.432 0.837 20 5 HCBDMO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000608858381 1074516985 /nfs/dbraw/zinc/51/69/85/1074516985.db2.gz UIQFDTZDTISMEA-CQSZACIVSA-N 1 1 400.432 0.837 20 5 HCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000608861192 1074516952 /nfs/dbraw/zinc/51/69/52/1074516952.db2.gz CQSCAWSBXARXIJ-KRWDZBQOSA-N 1 1 417.466 0.655 20 5 HCBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000608861193 1074516666 /nfs/dbraw/zinc/51/66/66/1074516666.db2.gz CQSCAWSBXARXIJ-QGZVFWFLSA-N 1 1 417.466 0.655 20 5 HCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000608861286 1074517019 /nfs/dbraw/zinc/51/70/19/1074517019.db2.gz LOZDDOSDXJGBFL-AWEZNQCLSA-N 1 1 404.423 0.920 20 5 HCBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000608861287 1074516790 /nfs/dbraw/zinc/51/67/90/1074516790.db2.gz LOZDDOSDXJGBFL-CQSZACIVSA-N 1 1 404.423 0.920 20 5 HCBDMO COc1cc(OCC(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000608861362 1074517061 /nfs/dbraw/zinc/51/70/61/1074517061.db2.gz PTKVQPCGVQAFJA-INIZCTEOSA-N 1 1 406.439 0.923 20 5 HCBDMO COc1cc(OCC(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000608861363 1074516759 /nfs/dbraw/zinc/51/67/59/1074516759.db2.gz PTKVQPCGVQAFJA-MRXNPFEDSA-N 1 1 406.439 0.923 20 5 HCBDMO COC(=O)c1cc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc([N+](=O)[O-])c1 ZINC000608861410 1074516868 /nfs/dbraw/zinc/51/68/68/1074516868.db2.gz TUMBWAGHIYGLHT-INIZCTEOSA-N 1 1 404.423 0.936 20 5 HCBDMO COC(=O)c1cc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc([N+](=O)[O-])c1 ZINC000608861411 1074516695 /nfs/dbraw/zinc/51/66/95/1074516695.db2.gz TUMBWAGHIYGLHT-MRXNPFEDSA-N 1 1 404.423 0.936 20 5 HCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000608866062 1074513252 /nfs/dbraw/zinc/51/32/52/1074513252.db2.gz ZRXYLQOBPUSOPM-CYBMUJFWSA-N 1 1 419.438 0.024 20 5 HCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000608866063 1074513016 /nfs/dbraw/zinc/51/30/16/1074513016.db2.gz ZRXYLQOBPUSOPM-ZDUSSCGKSA-N 1 1 419.438 0.024 20 5 HCBDMO COCC[N@@H+](C)CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000608885660 1074520882 /nfs/dbraw/zinc/52/08/82/1074520882.db2.gz GAYABZIUYYPEPN-UHFFFAOYSA-N 1 1 402.473 0.606 20 5 HCBDMO COCC[N@@H+](C)CCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000608885874 1074520825 /nfs/dbraw/zinc/52/08/25/1074520825.db2.gz UQLBIRKMEPQZIW-UHFFFAOYSA-N 1 1 415.516 0.521 20 5 HCBDMO COCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000608885951 1074520747 /nfs/dbraw/zinc/52/07/47/1074520747.db2.gz XPERVNAEORUSJX-UHFFFAOYSA-N 1 1 402.473 0.606 20 5 HCBDMO COCC[N@@H+](C)CCNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000608891614 1074521378 /nfs/dbraw/zinc/52/13/78/1074521378.db2.gz ZXGWCSHWGRINLB-UHFFFAOYSA-N 1 1 407.471 0.571 20 5 HCBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000608918057 1074524603 /nfs/dbraw/zinc/52/46/03/1074524603.db2.gz JRXDCIUGLZTCCG-CYBMUJFWSA-N 1 1 401.489 0.903 20 5 HCBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000608918058 1074524830 /nfs/dbraw/zinc/52/48/30/1074524830.db2.gz JRXDCIUGLZTCCG-ZDUSSCGKSA-N 1 1 401.489 0.903 20 5 HCBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000608918090 1074524783 /nfs/dbraw/zinc/52/47/83/1074524783.db2.gz KXAGIOAPPLUPEU-CYBMUJFWSA-N 1 1 401.489 0.903 20 5 HCBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000608918091 1074524684 /nfs/dbraw/zinc/52/46/84/1074524684.db2.gz KXAGIOAPPLUPEU-ZDUSSCGKSA-N 1 1 401.489 0.903 20 5 HCBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000608937151 1074523857 /nfs/dbraw/zinc/52/38/57/1074523857.db2.gz CVELHAXJLYTGNF-HNNXBMFYSA-N 1 1 404.423 0.745 20 5 HCBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000608937152 1074523918 /nfs/dbraw/zinc/52/39/18/1074523918.db2.gz CVELHAXJLYTGNF-OAHLLOKOSA-N 1 1 404.423 0.745 20 5 HCBDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)CC2)CC1 ZINC000608958291 1074525266 /nfs/dbraw/zinc/52/52/66/1074525266.db2.gz RHBMGMYFWHKHHY-UHFFFAOYSA-N 1 1 418.450 0.992 20 5 HCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000608986741 1074531187 /nfs/dbraw/zinc/53/11/87/1074531187.db2.gz MRLCLRUUNHDVEQ-HNNXBMFYSA-N 1 1 404.423 0.920 20 5 HCBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000608986742 1074531269 /nfs/dbraw/zinc/53/12/69/1074531269.db2.gz MRLCLRUUNHDVEQ-OAHLLOKOSA-N 1 1 404.423 0.920 20 5 HCBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609045851 1074534541 /nfs/dbraw/zinc/53/45/41/1074534541.db2.gz VHBHYRQKHDMHBL-HNNXBMFYSA-N 1 1 414.484 0.490 20 5 HCBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609045853 1074534719 /nfs/dbraw/zinc/53/47/19/1074534719.db2.gz VHBHYRQKHDMHBL-OAHLLOKOSA-N 1 1 414.484 0.490 20 5 HCBDMO CC(C)[N@H+]1CCCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609049462 1074535367 /nfs/dbraw/zinc/53/53/67/1074535367.db2.gz PLWWEVPWGQFTOH-UHFFFAOYSA-N 1 1 413.500 0.999 20 5 HCBDMO CC(C)[N@H+]1CCCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609049605 1074535272 /nfs/dbraw/zinc/53/52/72/1074535272.db2.gz DJGWBCDOISKGOR-UHFFFAOYSA-N 1 1 413.500 0.999 20 5 HCBDMO NC(=O)c1ccc(SCC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000609077570 1074813285 /nfs/dbraw/zinc/81/32/85/1074813285.db2.gz FFYLVFBLEYSRCZ-CYBMUJFWSA-N 1 1 423.495 0.489 20 5 HCBDMO NC(=O)c1ccc(SCC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000609077571 1074813190 /nfs/dbraw/zinc/81/31/90/1074813190.db2.gz FFYLVFBLEYSRCZ-ZDUSSCGKSA-N 1 1 423.495 0.489 20 5 HCBDMO CS(=O)(=O)c1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc([N+](=O)[O-])c1 ZINC000609077583 1074813316 /nfs/dbraw/zinc/81/33/16/1074813316.db2.gz XVUZWYNBNHOWDX-GFCCVEGCSA-N 1 1 412.468 0.316 20 5 HCBDMO CS(=O)(=O)c1cc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc([N+](=O)[O-])c1 ZINC000609077585 1074813244 /nfs/dbraw/zinc/81/32/44/1074813244.db2.gz XVUZWYNBNHOWDX-LBPRGKRZSA-N 1 1 412.468 0.316 20 5 HCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609077634 1074813236 /nfs/dbraw/zinc/81/32/36/1074813236.db2.gz IFVMCBSEAPJNJN-HNNXBMFYSA-N 1 1 405.455 0.418 20 5 HCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609077635 1074813330 /nfs/dbraw/zinc/81/33/30/1074813330.db2.gz IFVMCBSEAPJNJN-OAHLLOKOSA-N 1 1 405.455 0.418 20 5 HCBDMO COc1ccc(C(=O)NCC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000609077640 1074813180 /nfs/dbraw/zinc/81/31/80/1074813180.db2.gz IQYASBORJFMHSV-AWEZNQCLSA-N 1 1 421.454 0.037 20 5 HCBDMO COc1ccc(C(=O)NCC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000609077641 1074813269 /nfs/dbraw/zinc/81/32/69/1074813269.db2.gz IQYASBORJFMHSV-CQSZACIVSA-N 1 1 421.454 0.037 20 5 HCBDMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000609116270 1075771262 /nfs/dbraw/zinc/77/12/62/1075771262.db2.gz HFHQYYIFIJXQNL-UHFFFAOYSA-N 1 1 415.454 0.640 20 5 HCBDMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)c2)CC1 ZINC000609116393 1075765710 /nfs/dbraw/zinc/76/57/10/1075765710.db2.gz JTLUCGCSBTUKSZ-UHFFFAOYSA-N 1 1 422.467 0.756 20 5 HCBDMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)c2)CC1 ZINC000609116393 1075765707 /nfs/dbraw/zinc/76/57/07/1075765707.db2.gz JTLUCGCSBTUKSZ-UHFFFAOYSA-N 1 1 422.467 0.756 20 5 HCBDMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)c2)CC1 ZINC000609116475 1075767934 /nfs/dbraw/zinc/76/79/34/1075767934.db2.gz MTCBXTRCNYNJJA-UHFFFAOYSA-N 1 1 423.455 0.151 20 5 HCBDMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)c2)CC1 ZINC000609116475 1075767927 /nfs/dbraw/zinc/76/79/27/1075767927.db2.gz MTCBXTRCNYNJJA-UHFFFAOYSA-N 1 1 423.455 0.151 20 5 HCBDMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000609116555 1075766610 /nfs/dbraw/zinc/76/66/10/1075766610.db2.gz SQZDDVZKQJZDET-UHFFFAOYSA-N 1 1 415.454 0.640 20 5 HCBDMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)c2)CC1 ZINC000609116689 1075763290 /nfs/dbraw/zinc/76/32/90/1075763290.db2.gz WUUWLZJJPMOJQT-UHFFFAOYSA-N 1 1 422.467 0.756 20 5 HCBDMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)c2)CC1 ZINC000609116689 1075763282 /nfs/dbraw/zinc/76/32/82/1075763282.db2.gz WUUWLZJJPMOJQT-UHFFFAOYSA-N 1 1 422.467 0.756 20 5 HCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000609157592 1077293516 /nfs/dbraw/zinc/29/35/16/1077293516.db2.gz IJPKTZFQZARYJF-MRXNPFEDSA-N 1 1 405.455 0.956 20 5 HCBDMO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000609159128 1077294634 /nfs/dbraw/zinc/29/46/34/1077294634.db2.gz WQWRCYNYRHWBQG-CYBMUJFWSA-N 1 1 412.468 0.388 20 5 HCBDMO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000609159129 1077294545 /nfs/dbraw/zinc/29/45/45/1077294545.db2.gz WQWRCYNYRHWBQG-ZDUSSCGKSA-N 1 1 412.468 0.388 20 5 HCBDMO C[NH+]1CCN(CCCCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609163498 1077406615 /nfs/dbraw/zinc/40/66/15/1077406615.db2.gz HVKZDGZWRJVAET-UHFFFAOYSA-N 1 1 406.487 0.538 20 5 HCBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000609196755 1077518231 /nfs/dbraw/zinc/51/82/31/1077518231.db2.gz PREAKTMWOVIMSY-AWEZNQCLSA-N 1 1 402.448 0.955 20 5 HCBDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000609196755 1077518224 /nfs/dbraw/zinc/51/82/24/1077518224.db2.gz PREAKTMWOVIMSY-AWEZNQCLSA-N 1 1 402.448 0.955 20 5 HCBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000609196759 1077518014 /nfs/dbraw/zinc/51/80/14/1077518014.db2.gz PREAKTMWOVIMSY-CQSZACIVSA-N 1 1 402.448 0.955 20 5 HCBDMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000609196759 1077517999 /nfs/dbraw/zinc/51/79/99/1077517999.db2.gz PREAKTMWOVIMSY-CQSZACIVSA-N 1 1 402.448 0.955 20 5 HCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000609199641 1077532221 /nfs/dbraw/zinc/53/22/21/1077532221.db2.gz DULWKWLLECERKA-HNNXBMFYSA-N 1 1 419.486 0.409 20 5 HCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000609199646 1077532173 /nfs/dbraw/zinc/53/21/73/1077532173.db2.gz DULWKWLLECERKA-OAHLLOKOSA-N 1 1 419.486 0.409 20 5 HCBDMO O=C(CN1C(=O)CCC1=O)N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609203901 1077539305 /nfs/dbraw/zinc/53/93/05/1077539305.db2.gz BXRZQEGCTIGXLG-UHFFFAOYSA-N 1 1 404.423 0.657 20 5 HCBDMO CN(C(=O)c1csc([N+](=O)[O-])c1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000609266926 1078337974 /nfs/dbraw/zinc/33/79/74/1078337974.db2.gz MTNHYWPPDXGEDB-UHFFFAOYSA-N 1 1 409.512 0.967 20 5 HCBDMO CN(C(=O)c1ccc([N+](=O)[O-])s1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000609266941 1078337913 /nfs/dbraw/zinc/33/79/13/1078337913.db2.gz NXIMHTVQZSINRT-UHFFFAOYSA-N 1 1 409.512 0.967 20 5 HCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000609267023 1078337649 /nfs/dbraw/zinc/33/76/49/1078337649.db2.gz TUKNHDFRSRFMDJ-UHFFFAOYSA-N 1 1 418.498 0.609 20 5 HCBDMO COCC[N@H+]1CCC[C@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609269401 1078355626 /nfs/dbraw/zinc/35/56/26/1078355626.db2.gz POAFWETURMETMT-AWEZNQCLSA-N 1 1 414.484 0.490 20 5 HCBDMO COCC[N@H+]1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609269402 1078355845 /nfs/dbraw/zinc/35/58/45/1078355845.db2.gz POAFWETURMETMT-CQSZACIVSA-N 1 1 414.484 0.490 20 5 HCBDMO COCC[N@H+]1CCC[C@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609269775 1078353961 /nfs/dbraw/zinc/35/39/61/1078353961.db2.gz WNQOGACYORDSRX-AWEZNQCLSA-N 1 1 414.484 0.490 20 5 HCBDMO COCC[N@H+]1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609269777 1078354126 /nfs/dbraw/zinc/35/41/26/1078354126.db2.gz WNQOGACYORDSRX-CQSZACIVSA-N 1 1 414.484 0.490 20 5 HCBDMO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000609279152 1078413643 /nfs/dbraw/zinc/41/36/43/1078413643.db2.gz JTZPGAUPZXDCGV-GFCCVEGCSA-N 1 1 401.441 0.755 20 5 HCBDMO COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000609279152 1078413639 /nfs/dbraw/zinc/41/36/39/1078413639.db2.gz JTZPGAUPZXDCGV-GFCCVEGCSA-N 1 1 401.441 0.755 20 5 HCBDMO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000609279153 1078413551 /nfs/dbraw/zinc/41/35/51/1078413551.db2.gz JTZPGAUPZXDCGV-LBPRGKRZSA-N 1 1 401.441 0.755 20 5 HCBDMO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000609279153 1078413548 /nfs/dbraw/zinc/41/35/48/1078413548.db2.gz JTZPGAUPZXDCGV-LBPRGKRZSA-N 1 1 401.441 0.755 20 5 HCBDMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609284613 1078562350 /nfs/dbraw/zinc/56/23/50/1078562350.db2.gz OLTSQLJIOMFQQS-PBHICJAKSA-N 1 1 408.455 0.255 20 5 HCBDMO CCOC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609284614 1078562708 /nfs/dbraw/zinc/56/27/08/1078562708.db2.gz OLTSQLJIOMFQQS-RHSMWYFYSA-N 1 1 408.455 0.255 20 5 HCBDMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609284616 1078562818 /nfs/dbraw/zinc/56/28/18/1078562818.db2.gz OLTSQLJIOMFQQS-YOEHRIQHSA-N 1 1 408.455 0.255 20 5 HCBDMO NC(=O)c1ccc(SCC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000609284914 1078557400 /nfs/dbraw/zinc/55/74/00/1078557400.db2.gz AALRQMYEFQJAEA-DZGCQCFKSA-N 1 1 408.480 0.843 20 5 HCBDMO NC(=O)c1ccc(SCC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000609284915 1078556259 /nfs/dbraw/zinc/55/62/59/1078556259.db2.gz AALRQMYEFQJAEA-HIFRSBDPSA-N 1 1 408.480 0.843 20 5 HCBDMO NC(=O)c1ccc(SCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000609284916 1078555999 /nfs/dbraw/zinc/55/59/99/1078555999.db2.gz AALRQMYEFQJAEA-UKRRQHHQSA-N 1 1 408.480 0.843 20 5 HCBDMO NC(=O)c1ccc(SCC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000609284917 1078556446 /nfs/dbraw/zinc/55/64/46/1078556446.db2.gz AALRQMYEFQJAEA-ZFWWWQNUSA-N 1 1 408.480 0.843 20 5 HCBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609311463 1079126421 /nfs/dbraw/zinc/12/64/21/1079126421.db2.gz HNERRNMSJFQZFV-AWEZNQCLSA-N 1 1 413.500 0.015 20 5 HCBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609311464 1079126455 /nfs/dbraw/zinc/12/64/55/1079126455.db2.gz HNERRNMSJFQZFV-CQSZACIVSA-N 1 1 413.500 0.015 20 5 HCBDMO COCC[N@H+]1CC[C@@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609347386 1079246528 /nfs/dbraw/zinc/24/65/28/1079246528.db2.gz CIRKCJAQQGAHFE-CYBMUJFWSA-N 1 1 400.457 0.100 20 5 HCBDMO COCC[N@H+]1CC[C@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609347387 1079246410 /nfs/dbraw/zinc/24/64/10/1079246410.db2.gz CIRKCJAQQGAHFE-ZDUSSCGKSA-N 1 1 400.457 0.100 20 5 HCBDMO Cc1c(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000609352018 1079248298 /nfs/dbraw/zinc/24/82/98/1079248298.db2.gz KAVWNDYGHSDJQR-HNNXBMFYSA-N 1 1 401.427 0.554 20 5 HCBDMO Cc1c(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000609352019 1079248494 /nfs/dbraw/zinc/24/84/94/1079248494.db2.gz KAVWNDYGHSDJQR-OAHLLOKOSA-N 1 1 401.427 0.554 20 5 HCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000609352136 1079248697 /nfs/dbraw/zinc/24/86/97/1079248697.db2.gz NHDIDEJYXKIBIF-HNNXBMFYSA-N 1 1 419.438 0.739 20 5 HCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000609352142 1079248540 /nfs/dbraw/zinc/24/85/40/1079248540.db2.gz NHDIDEJYXKIBIF-OAHLLOKOSA-N 1 1 419.438 0.739 20 5 HCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000609355259 1079249140 /nfs/dbraw/zinc/24/91/40/1079249140.db2.gz UVBZPZOUJZJFHK-KRWDZBQOSA-N 1 1 404.471 0.766 20 5 HCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000609355260 1079249236 /nfs/dbraw/zinc/24/92/36/1079249236.db2.gz UVBZPZOUJZJFHK-QGZVFWFLSA-N 1 1 404.471 0.766 20 5 HCBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609380203 1079254498 /nfs/dbraw/zinc/25/44/98/1079254498.db2.gz JHEVMVYRFMKENS-HNNXBMFYSA-N 1 1 414.484 0.490 20 5 HCBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609380204 1079254585 /nfs/dbraw/zinc/25/45/85/1079254585.db2.gz JHEVMVYRFMKENS-OAHLLOKOSA-N 1 1 414.484 0.490 20 5 HCBDMO NS(=O)(=O)c1ccc(NCCC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000609383027 1079255382 /nfs/dbraw/zinc/25/53/82/1079255382.db2.gz IDWPIDJOLZZSFL-CYBMUJFWSA-N 1 1 411.484 0.645 20 5 HCBDMO NS(=O)(=O)c1ccc(NCCC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000609383028 1079255669 /nfs/dbraw/zinc/25/56/69/1079255669.db2.gz IDWPIDJOLZZSFL-ZDUSSCGKSA-N 1 1 411.484 0.645 20 5 HCBDMO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609399567 1079257173 /nfs/dbraw/zinc/25/71/73/1079257173.db2.gz HQIPGMPUTYODKR-AWEZNQCLSA-N 1 1 411.484 0.657 20 5 HCBDMO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609399568 1079257366 /nfs/dbraw/zinc/25/73/66/1079257366.db2.gz HQIPGMPUTYODKR-CQSZACIVSA-N 1 1 411.484 0.657 20 5 HCBDMO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609399719 1079257223 /nfs/dbraw/zinc/25/72/23/1079257223.db2.gz KYPJRFLKGAJNJE-AWEZNQCLSA-N 1 1 411.484 0.657 20 5 HCBDMO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609399720 1079257301 /nfs/dbraw/zinc/25/73/01/1079257301.db2.gz KYPJRFLKGAJNJE-CQSZACIVSA-N 1 1 411.484 0.657 20 5 HCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000609431189 1079261980 /nfs/dbraw/zinc/26/19/80/1079261980.db2.gz BUUQHYUCHIWJLK-UHFFFAOYSA-N 1 1 406.487 0.893 20 5 HCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000609443242 1079263796 /nfs/dbraw/zinc/26/37/96/1079263796.db2.gz SBVPFCSHSGVDHW-CYBMUJFWSA-N 1 1 401.427 0.493 20 5 HCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000609443273 1079263658 /nfs/dbraw/zinc/26/36/58/1079263658.db2.gz MWWGCHNSWWCVQW-KRWDZBQOSA-N 1 1 413.438 0.730 20 5 HCBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000609443274 1079263694 /nfs/dbraw/zinc/26/36/94/1079263694.db2.gz MWWGCHNSWWCVQW-QGZVFWFLSA-N 1 1 413.438 0.730 20 5 HCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000609462620 1079269077 /nfs/dbraw/zinc/26/90/77/1079269077.db2.gz MENQXKJGLZOPPH-CYBMUJFWSA-N 1 1 405.455 0.382 20 5 HCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000609462623 1079269016 /nfs/dbraw/zinc/26/90/16/1079269016.db2.gz MENQXKJGLZOPPH-ZDUSSCGKSA-N 1 1 405.455 0.382 20 5 HCBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609462698 1079269102 /nfs/dbraw/zinc/26/91/02/1079269102.db2.gz SJDALXHVAMOFKK-UHFFFAOYSA-N 1 1 405.455 0.384 20 5 HCBDMO Cc1c(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000609462748 1079269252 /nfs/dbraw/zinc/26/92/52/1079269252.db2.gz YVIVMNUFXUYKAO-UHFFFAOYSA-N 1 1 415.454 0.766 20 5 HCBDMO CC(=O)N1CCN(c2ccc(C(=O)NC[C@H]3C[N@H+](C)CCN3C)cc2[N+](=O)[O-])CC1 ZINC000609489206 1079275484 /nfs/dbraw/zinc/27/54/84/1079275484.db2.gz XBUCJNNHTDXDHY-KRWDZBQOSA-N 1 1 418.498 0.239 20 5 HCBDMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000609514037 1079278326 /nfs/dbraw/zinc/27/83/26/1079278326.db2.gz TUKYQQBDHVIWAI-GOSISDBHSA-N 1 1 419.482 0.836 20 5 HCBDMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000609514038 1079278152 /nfs/dbraw/zinc/27/81/52/1079278152.db2.gz TUKYQQBDHVIWAI-SFHVURJKSA-N 1 1 419.482 0.836 20 5 HCBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000609517184 1079279327 /nfs/dbraw/zinc/27/93/27/1079279327.db2.gz XPHANUCYZMTHAM-AWEZNQCLSA-N 1 1 413.500 0.273 20 5 HCBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000609517186 1079279879 /nfs/dbraw/zinc/27/98/79/1079279879.db2.gz XPHANUCYZMTHAM-CQSZACIVSA-N 1 1 413.500 0.273 20 5 HCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000609522988 1079282331 /nfs/dbraw/zinc/28/23/31/1079282331.db2.gz YETNIPNAHSWMKP-CHWSQXEVSA-N 1 1 407.427 0.248 20 5 HCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000609522989 1079282203 /nfs/dbraw/zinc/28/22/03/1079282203.db2.gz YETNIPNAHSWMKP-OLZOCXBDSA-N 1 1 407.427 0.248 20 5 HCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000609522990 1079282244 /nfs/dbraw/zinc/28/22/44/1079282244.db2.gz YETNIPNAHSWMKP-QWHCGFSZSA-N 1 1 407.427 0.248 20 5 HCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000609522991 1079282711 /nfs/dbraw/zinc/28/27/11/1079282711.db2.gz YETNIPNAHSWMKP-STQMWFEESA-N 1 1 407.427 0.248 20 5 HCBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000609525976 1079283267 /nfs/dbraw/zinc/28/32/67/1079283267.db2.gz CUAQQOGKCNHRKD-UHFFFAOYSA-N 1 1 409.512 0.882 20 5 HCBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000609526071 1079283413 /nfs/dbraw/zinc/28/34/13/1079283413.db2.gz NKQOZXADVHKFQZ-OAHLLOKOSA-N 1 1 407.471 0.888 20 5 HCBDMO CN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000609533294 1079284689 /nfs/dbraw/zinc/28/46/89/1079284689.db2.gz AEFJNAYQEVPFBN-CYBMUJFWSA-N 1 1 411.484 0.739 20 5 HCBDMO CN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000609533295 1079284483 /nfs/dbraw/zinc/28/44/83/1079284483.db2.gz AEFJNAYQEVPFBN-ZDUSSCGKSA-N 1 1 411.484 0.739 20 5 HCBDMO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)OCCO2 ZINC000609544859 1078474577 /nfs/dbraw/zinc/47/45/77/1078474577.db2.gz NPCAYRLLTTYXND-AWEZNQCLSA-N 1 1 415.468 0.944 20 5 HCBDMO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)OCCO2 ZINC000609544860 1078474622 /nfs/dbraw/zinc/47/46/22/1078474622.db2.gz NPCAYRLLTTYXND-CQSZACIVSA-N 1 1 415.468 0.944 20 5 HCBDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609571393 1078478406 /nfs/dbraw/zinc/47/84/06/1078478406.db2.gz NTVYTNJVBQNIDR-UHFFFAOYSA-N 1 1 402.473 0.480 20 5 HCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000609571485 1078478378 /nfs/dbraw/zinc/47/83/78/1078478378.db2.gz APGOYTNATMLXRG-GDBMZVCRSA-N 1 1 403.483 0.998 20 5 HCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000609571485 1078478375 /nfs/dbraw/zinc/47/83/75/1078478375.db2.gz APGOYTNATMLXRG-GDBMZVCRSA-N 1 1 403.483 0.998 20 5 HCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000609571489 1078478491 /nfs/dbraw/zinc/47/84/91/1078478491.db2.gz APGOYTNATMLXRG-HOCLYGCPSA-N 1 1 403.483 0.998 20 5 HCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000609571489 1078478489 /nfs/dbraw/zinc/47/84/89/1078478489.db2.gz APGOYTNATMLXRG-HOCLYGCPSA-N 1 1 403.483 0.998 20 5 HCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000609571490 1078478532 /nfs/dbraw/zinc/47/85/32/1078478532.db2.gz APGOYTNATMLXRG-ZBFHGGJFSA-N 1 1 403.483 0.998 20 5 HCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000609571490 1078478528 /nfs/dbraw/zinc/47/85/28/1078478528.db2.gz APGOYTNATMLXRG-ZBFHGGJFSA-N 1 1 403.483 0.998 20 5 HCBDMO C[NH+]1CCC(N2CC[C@H](NC(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000609571831 1078479240 /nfs/dbraw/zinc/47/92/40/1078479240.db2.gz MDCHAKVRLIZHHV-INIZCTEOSA-N 1 1 418.498 0.679 20 5 HCBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000609571831 1078479235 /nfs/dbraw/zinc/47/92/35/1078479235.db2.gz MDCHAKVRLIZHHV-INIZCTEOSA-N 1 1 418.498 0.679 20 5 HCBDMO C[NH+]1CCC(N2CC[C@@H](NC(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000609571832 1078479408 /nfs/dbraw/zinc/47/94/08/1078479408.db2.gz MDCHAKVRLIZHHV-MRXNPFEDSA-N 1 1 418.498 0.679 20 5 HCBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000609571832 1078479400 /nfs/dbraw/zinc/47/94/00/1078479400.db2.gz MDCHAKVRLIZHHV-MRXNPFEDSA-N 1 1 418.498 0.679 20 5 HCBDMO C[NH+]1CCC(N2CC[C@H](NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000609572261 1078479080 /nfs/dbraw/zinc/47/90/80/1078479080.db2.gz WJUNHDNDYBEVIR-INIZCTEOSA-N 1 1 403.483 0.999 20 5 HCBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000609572261 1078479074 /nfs/dbraw/zinc/47/90/74/1078479074.db2.gz WJUNHDNDYBEVIR-INIZCTEOSA-N 1 1 403.483 0.999 20 5 HCBDMO C[NH+]1CCC(N2CC[C@@H](NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000609572262 1078479150 /nfs/dbraw/zinc/47/91/50/1078479150.db2.gz WJUNHDNDYBEVIR-MRXNPFEDSA-N 1 1 403.483 0.999 20 5 HCBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000609572262 1078479147 /nfs/dbraw/zinc/47/91/47/1078479147.db2.gz WJUNHDNDYBEVIR-MRXNPFEDSA-N 1 1 403.483 0.999 20 5 HCBDMO C[NH+]1CCC(N2CC[C@H](NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000609572273 1078479201 /nfs/dbraw/zinc/47/92/01/1078479201.db2.gz XKVDMHQDBLQVNX-AWEZNQCLSA-N 1 1 417.466 0.605 20 5 HCBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000609572273 1078479196 /nfs/dbraw/zinc/47/91/96/1078479196.db2.gz XKVDMHQDBLQVNX-AWEZNQCLSA-N 1 1 417.466 0.605 20 5 HCBDMO C[NH+]1CCC(N2CC[C@@H](NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000609572276 1078479134 /nfs/dbraw/zinc/47/91/34/1078479134.db2.gz XKVDMHQDBLQVNX-CQSZACIVSA-N 1 1 417.466 0.605 20 5 HCBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000609572276 1078479132 /nfs/dbraw/zinc/47/91/32/1078479132.db2.gz XKVDMHQDBLQVNX-CQSZACIVSA-N 1 1 417.466 0.605 20 5 HCBDMO C[NH+]1CCC(N2CC[C@@H](NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)CC1 ZINC000609572283 1078479316 /nfs/dbraw/zinc/47/93/16/1078479316.db2.gz XOYRNQNKZJZEMN-CYBMUJFWSA-N 1 1 415.450 0.476 20 5 HCBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)CC1 ZINC000609572283 1078479309 /nfs/dbraw/zinc/47/93/09/1078479309.db2.gz XOYRNQNKZJZEMN-CYBMUJFWSA-N 1 1 415.450 0.476 20 5 HCBDMO C[NH+]1CCC(N2CC[C@H](NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)CC1 ZINC000609572287 1078479368 /nfs/dbraw/zinc/47/93/68/1078479368.db2.gz XOYRNQNKZJZEMN-ZDUSSCGKSA-N 1 1 415.450 0.476 20 5 HCBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)CC1 ZINC000609572287 1078479360 /nfs/dbraw/zinc/47/93/60/1078479360.db2.gz XOYRNQNKZJZEMN-ZDUSSCGKSA-N 1 1 415.450 0.476 20 5 HCBDMO CN1CCC[N@@H+](CCCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000609619902 1078494596 /nfs/dbraw/zinc/49/45/96/1078494596.db2.gz YUTTUKMTZXJDTF-UHFFFAOYSA-N 1 1 405.455 0.464 20 5 HCBDMO CN1CCC[N@H+](CCCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000609619902 1078494587 /nfs/dbraw/zinc/49/45/87/1078494587.db2.gz YUTTUKMTZXJDTF-UHFFFAOYSA-N 1 1 405.455 0.464 20 5 HCBDMO C[N@H+]1CCCN(CCCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000609619902 1078494567 /nfs/dbraw/zinc/49/45/67/1078494567.db2.gz YUTTUKMTZXJDTF-UHFFFAOYSA-N 1 1 405.455 0.464 20 5 HCBDMO CN1CCC[N@@H+](CCCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609624009 1078495614 /nfs/dbraw/zinc/49/56/14/1078495614.db2.gz MTHDGGFPTVDJOV-UHFFFAOYSA-N 1 1 406.487 0.538 20 5 HCBDMO CN1CCC[N@H+](CCCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609624009 1078495604 /nfs/dbraw/zinc/49/56/04/1078495604.db2.gz MTHDGGFPTVDJOV-UHFFFAOYSA-N 1 1 406.487 0.538 20 5 HCBDMO C[N@H+]1CCCN(CCCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609624009 1078495592 /nfs/dbraw/zinc/49/55/92/1078495592.db2.gz MTHDGGFPTVDJOV-UHFFFAOYSA-N 1 1 406.487 0.538 20 5 HCBDMO CN1CCC[N@@H+](CCCNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000609624215 1078495400 /nfs/dbraw/zinc/49/54/00/1078495400.db2.gz RWCZMTZCDOQOQB-UHFFFAOYSA-N 1 1 409.512 0.930 20 5 HCBDMO CN1CCC[N@H+](CCCNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000609624215 1078495389 /nfs/dbraw/zinc/49/53/89/1078495389.db2.gz RWCZMTZCDOQOQB-UHFFFAOYSA-N 1 1 409.512 0.930 20 5 HCBDMO C[N@H+]1CCCN(CCCNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000609624215 1078495376 /nfs/dbraw/zinc/49/53/76/1078495376.db2.gz RWCZMTZCDOQOQB-UHFFFAOYSA-N 1 1 409.512 0.930 20 5 HCBDMO CN1CCC[N@@H+](CCCNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000609624223 1078495485 /nfs/dbraw/zinc/49/54/85/1078495485.db2.gz UJOVCEBNNRIOLR-HNNXBMFYSA-N 1 1 407.471 0.936 20 5 HCBDMO CN1CCC[N@H+](CCCNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000609624223 1078495472 /nfs/dbraw/zinc/49/54/72/1078495472.db2.gz UJOVCEBNNRIOLR-HNNXBMFYSA-N 1 1 407.471 0.936 20 5 HCBDMO C[N@H+]1CCCN(CCCNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000609624223 1078495457 /nfs/dbraw/zinc/49/54/57/1078495457.db2.gz UJOVCEBNNRIOLR-HNNXBMFYSA-N 1 1 407.471 0.936 20 5 HCBDMO CN1CCC[N@@H+](CCCNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000609624225 1078495818 /nfs/dbraw/zinc/49/58/18/1078495818.db2.gz UJOVCEBNNRIOLR-OAHLLOKOSA-N 1 1 407.471 0.936 20 5 HCBDMO CN1CCC[N@H+](CCCNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000609624225 1078495812 /nfs/dbraw/zinc/49/58/12/1078495812.db2.gz UJOVCEBNNRIOLR-OAHLLOKOSA-N 1 1 407.471 0.936 20 5 HCBDMO C[N@H+]1CCCN(CCCNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000609624225 1078495803 /nfs/dbraw/zinc/49/58/03/1078495803.db2.gz UJOVCEBNNRIOLR-OAHLLOKOSA-N 1 1 407.471 0.936 20 5 HCBDMO CN1CCC[N@@H+](CCCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000609624241 1078495760 /nfs/dbraw/zinc/49/57/60/1078495760.db2.gz VGJDITMODPBKFC-UHFFFAOYSA-N 1 1 403.439 0.335 20 5 HCBDMO CN1CCC[N@H+](CCCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000609624241 1078495751 /nfs/dbraw/zinc/49/57/51/1078495751.db2.gz VGJDITMODPBKFC-UHFFFAOYSA-N 1 1 403.439 0.335 20 5 HCBDMO C[N@H+]1CCCN(CCCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000609624241 1078495745 /nfs/dbraw/zinc/49/57/45/1078495745.db2.gz VGJDITMODPBKFC-UHFFFAOYSA-N 1 1 403.439 0.335 20 5 HCBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609642680 1078499502 /nfs/dbraw/zinc/49/95/02/1078499502.db2.gz SGYJIWAAURIGDN-AWEZNQCLSA-N 1 1 423.495 0.847 20 5 HCBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609642684 1078499694 /nfs/dbraw/zinc/49/96/94/1078499694.db2.gz SGYJIWAAURIGDN-CQSZACIVSA-N 1 1 423.495 0.847 20 5 HCBDMO C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)C2)CC1 ZINC000609642699 1078499415 /nfs/dbraw/zinc/49/94/15/1078499415.db2.gz TXDYORQFVUWMSW-INIZCTEOSA-N 1 1 417.514 0.990 20 5 HCBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)C2)CC1 ZINC000609642699 1078499389 /nfs/dbraw/zinc/49/93/89/1078499389.db2.gz TXDYORQFVUWMSW-INIZCTEOSA-N 1 1 417.514 0.990 20 5 HCBDMO C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)C2)CC1 ZINC000609642703 1078499873 /nfs/dbraw/zinc/49/98/73/1078499873.db2.gz TXDYORQFVUWMSW-MRXNPFEDSA-N 1 1 417.514 0.990 20 5 HCBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)C2)CC1 ZINC000609642703 1078499854 /nfs/dbraw/zinc/49/98/54/1078499854.db2.gz TXDYORQFVUWMSW-MRXNPFEDSA-N 1 1 417.514 0.990 20 5 HCBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609642963 1078500048 /nfs/dbraw/zinc/50/00/48/1078500048.db2.gz YLBBEAQDDOJFTE-AWEZNQCLSA-N 1 1 423.495 0.847 20 5 HCBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609642965 1078499757 /nfs/dbraw/zinc/49/97/57/1078499757.db2.gz YLBBEAQDDOJFTE-CQSZACIVSA-N 1 1 423.495 0.847 20 5 HCBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000609664590 1078504503 /nfs/dbraw/zinc/50/45/03/1078504503.db2.gz ATMXKMDOQFBFLF-GOSISDBHSA-N 1 1 403.483 0.953 20 5 HCBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000609664591 1078504127 /nfs/dbraw/zinc/50/41/27/1078504127.db2.gz ATMXKMDOQFBFLF-SFHVURJKSA-N 1 1 403.483 0.953 20 5 HCBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609664719 1078504900 /nfs/dbraw/zinc/50/49/00/1078504900.db2.gz UPTQUDBAMUEKAJ-ZDUSSCGKSA-N 1 1 413.500 0.844 20 5 HCBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)C1 ZINC000609664996 1078504949 /nfs/dbraw/zinc/50/49/49/1078504949.db2.gz RKEBLWKOHZROOJ-INIZCTEOSA-N 1 1 417.466 0.559 20 5 HCBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)C1 ZINC000609664997 1078505176 /nfs/dbraw/zinc/50/51/76/1078505176.db2.gz RKEBLWKOHZROOJ-MRXNPFEDSA-N 1 1 417.466 0.559 20 5 HCBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000609665079 1078505102 /nfs/dbraw/zinc/50/51/02/1078505102.db2.gz XHGHSBUYSYSIFD-SFHVURJKSA-N 1 1 418.498 0.632 20 5 HCBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)CC2)C1 ZINC000609665402 1078505245 /nfs/dbraw/zinc/50/52/45/1078505245.db2.gz MQHJVCHVHCYQIN-HNNXBMFYSA-N 1 1 410.496 0.850 20 5 HCBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)CC2)C1 ZINC000609665403 1078504874 /nfs/dbraw/zinc/50/48/74/1078504874.db2.gz MQHJVCHVHCYQIN-OAHLLOKOSA-N 1 1 410.496 0.850 20 5 HCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000609665414 1078504848 /nfs/dbraw/zinc/50/48/48/1078504848.db2.gz MXTHQYCTCJDSCT-CRAIPNDOSA-N 1 1 403.483 0.952 20 5 HCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000609665415 1078505050 /nfs/dbraw/zinc/50/50/50/1078505050.db2.gz MXTHQYCTCJDSCT-MAUKXSAKSA-N 1 1 403.483 0.952 20 5 HCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000609665417 1078504971 /nfs/dbraw/zinc/50/49/71/1078504971.db2.gz MXTHQYCTCJDSCT-YJBOKZPZSA-N 1 1 403.483 0.952 20 5 HCBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)C1 ZINC000609665481 1078505136 /nfs/dbraw/zinc/50/51/36/1078505136.db2.gz QNOFTTBMEDWUFY-AWEZNQCLSA-N 1 1 415.450 0.429 20 5 HCBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)C1 ZINC000609665482 1078505283 /nfs/dbraw/zinc/50/52/83/1078505283.db2.gz QNOFTTBMEDWUFY-CQSZACIVSA-N 1 1 415.450 0.429 20 5 HCBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609667989 1078507667 /nfs/dbraw/zinc/50/76/67/1078507667.db2.gz CJSQNVFSKJDXPO-INIZCTEOSA-N 1 1 414.466 0.917 20 5 HCBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609667990 1078507751 /nfs/dbraw/zinc/50/77/51/1078507751.db2.gz CJSQNVFSKJDXPO-MRXNPFEDSA-N 1 1 414.466 0.917 20 5 HCBDMO CCOC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000609668005 1078507882 /nfs/dbraw/zinc/50/78/82/1078507882.db2.gz DFFONISXPYYHFC-KRWDZBQOSA-N 1 1 420.466 0.908 20 5 HCBDMO CCOC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000609668007 1078507331 /nfs/dbraw/zinc/50/73/31/1078507331.db2.gz DFFONISXPYYHFC-QGZVFWFLSA-N 1 1 420.466 0.908 20 5 HCBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000609668088 1078507993 /nfs/dbraw/zinc/50/79/93/1078507993.db2.gz GEDRQNKVKDHUFC-AWEZNQCLSA-N 1 1 408.455 0.748 20 5 HCBDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000609668092 1078507702 /nfs/dbraw/zinc/50/77/02/1078507702.db2.gz GEDRQNKVKDHUFC-CQSZACIVSA-N 1 1 408.455 0.748 20 5 HCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000609668108 1078507824 /nfs/dbraw/zinc/50/78/24/1078507824.db2.gz GLTUDPOFFBQYHE-DOTOQJQBSA-N 1 1 419.482 0.236 20 5 HCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000609668111 1078507772 /nfs/dbraw/zinc/50/77/72/1078507772.db2.gz GLTUDPOFFBQYHE-NVXWUHKLSA-N 1 1 419.482 0.236 20 5 HCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000609668112 1078507499 /nfs/dbraw/zinc/50/74/99/1078507499.db2.gz GLTUDPOFFBQYHE-RDJZCZTQSA-N 1 1 419.482 0.236 20 5 HCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000609668113 1078507393 /nfs/dbraw/zinc/50/73/93/1078507393.db2.gz GLTUDPOFFBQYHE-WBVHZDCISA-N 1 1 419.482 0.236 20 5 HCBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609668191 1078507841 /nfs/dbraw/zinc/50/78/41/1078507841.db2.gz JEDLBNRIPPLHHW-INIZCTEOSA-N 1 1 414.466 0.917 20 5 HCBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609668192 1078507630 /nfs/dbraw/zinc/50/76/30/1078507630.db2.gz JEDLBNRIPPLHHW-MRXNPFEDSA-N 1 1 414.466 0.917 20 5 HCBDMO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000609668205 1078506732 /nfs/dbraw/zinc/50/67/32/1078506732.db2.gz JTZPSCKPDRFIGW-KRWDZBQOSA-N 1 1 419.482 0.237 20 5 HCBDMO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000609668206 1078507913 /nfs/dbraw/zinc/50/79/13/1078507913.db2.gz JTZPSCKPDRFIGW-QGZVFWFLSA-N 1 1 419.482 0.237 20 5 HCBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000609668228 1078507446 /nfs/dbraw/zinc/50/74/46/1078507446.db2.gz KKFNBMGKYVHNMG-KRWDZBQOSA-N 1 1 414.466 0.917 20 5 HCBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000609668229 1078507591 /nfs/dbraw/zinc/50/75/91/1078507591.db2.gz KKFNBMGKYVHNMG-QGZVFWFLSA-N 1 1 414.466 0.917 20 5 HCBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000609668399 1078506519 /nfs/dbraw/zinc/50/65/19/1078506519.db2.gz ONBVFHWNAIWUDF-AWEZNQCLSA-N 1 1 406.439 0.502 20 5 HCBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000609668400 1078506909 /nfs/dbraw/zinc/50/69/09/1078506909.db2.gz ONBVFHWNAIWUDF-CQSZACIVSA-N 1 1 406.439 0.502 20 5 HCBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000609668435 1078506845 /nfs/dbraw/zinc/50/68/45/1078506845.db2.gz QGSGVYNLWMZKBS-KRWDZBQOSA-N 1 1 414.466 0.917 20 5 HCBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000609668436 1078506652 /nfs/dbraw/zinc/50/66/52/1078506652.db2.gz QGSGVYNLWMZKBS-QGZVFWFLSA-N 1 1 414.466 0.917 20 5 HCBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609668641 1078506970 /nfs/dbraw/zinc/50/69/70/1078506970.db2.gz VJDIQVJONKBKNP-AWEZNQCLSA-N 1 1 406.439 0.502 20 5 HCBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609668642 1078506693 /nfs/dbraw/zinc/50/66/93/1078506693.db2.gz VJDIQVJONKBKNP-CQSZACIVSA-N 1 1 406.439 0.502 20 5 HCBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000609668683 1078507796 /nfs/dbraw/zinc/50/77/96/1078507796.db2.gz XJEGBTKWEUSYJI-HNNXBMFYSA-N 1 1 415.454 0.312 20 5 HCBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000609668684 1078507948 /nfs/dbraw/zinc/50/79/48/1078507948.db2.gz XJEGBTKWEUSYJI-OAHLLOKOSA-N 1 1 415.454 0.312 20 5 HCBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000609668720 1078508777 /nfs/dbraw/zinc/50/87/77/1078508777.db2.gz YRPUMHBTEVTYQD-INIZCTEOSA-N 1 1 415.454 0.312 20 5 HCBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000609668721 1078508571 /nfs/dbraw/zinc/50/85/71/1078508571.db2.gz YRPUMHBTEVTYQD-MRXNPFEDSA-N 1 1 415.454 0.312 20 5 HCBDMO COc1cc(OCC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000609668722 1078508441 /nfs/dbraw/zinc/50/84/41/1078508441.db2.gz YUEUBRAPEOAKGG-HNNXBMFYSA-N 1 1 408.455 0.505 20 5 HCBDMO COc1cc(OCC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000609668723 1078508660 /nfs/dbraw/zinc/50/86/60/1078508660.db2.gz YUEUBRAPEOAKGG-OAHLLOKOSA-N 1 1 408.455 0.505 20 5 HCBDMO COC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000609668757 1078508836 /nfs/dbraw/zinc/50/88/36/1078508836.db2.gz ZSPUMSVGTDVMFZ-MRXNPFEDSA-N 1 1 406.439 0.518 20 5 HCBDMO COC(=O)CNC(=O)c1ccc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000609670919 1078509197 /nfs/dbraw/zinc/50/91/97/1078509197.db2.gz RZPFWLJLLJOOOB-INIZCTEOSA-N 1 1 419.482 0.714 20 5 HCBDMO COC(=O)CNC(=O)c1ccc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000609670921 1078509303 /nfs/dbraw/zinc/50/93/03/1078509303.db2.gz RZPFWLJLLJOOOB-MRXNPFEDSA-N 1 1 419.482 0.714 20 5 HCBDMO C[N@H+]1CCC[C@H](N2CCN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)CC2)C1 ZINC000609672332 1078511011 /nfs/dbraw/zinc/51/10/11/1078511011.db2.gz AEFXOPVFABYRMS-AWEZNQCLSA-N 1 1 405.455 0.974 20 5 HCBDMO C[N@H+]1CCC[C@@H](N2CCN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)CC2)C1 ZINC000609672333 1078510850 /nfs/dbraw/zinc/51/08/50/1078510850.db2.gz AEFXOPVFABYRMS-CQSZACIVSA-N 1 1 405.455 0.974 20 5 HCBDMO COc1ccc(C(=O)NCC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000609680270 1078514293 /nfs/dbraw/zinc/51/42/93/1078514293.db2.gz NPCAGSOAQYVIJM-INIZCTEOSA-N 1 1 419.482 0.572 20 5 HCBDMO COc1ccc(C(=O)NCC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000609680271 1078514118 /nfs/dbraw/zinc/51/41/18/1078514118.db2.gz NPCAGSOAQYVIJM-MRXNPFEDSA-N 1 1 419.482 0.572 20 5 HCBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609681468 1078514804 /nfs/dbraw/zinc/51/48/04/1078514804.db2.gz NDXZBMRYVRAXFB-AWEZNQCLSA-N 1 1 415.450 0.985 20 5 HCBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609681469 1078515316 /nfs/dbraw/zinc/51/53/16/1078515316.db2.gz NDXZBMRYVRAXFB-CQSZACIVSA-N 1 1 415.450 0.985 20 5 HCBDMO COc1ccc(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000609684844 1078516170 /nfs/dbraw/zinc/51/61/70/1078516170.db2.gz KHXOSJOVOJBJHC-INIZCTEOSA-N 1 1 407.471 0.809 20 5 HCBDMO COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000609684845 1078515893 /nfs/dbraw/zinc/51/58/93/1078515893.db2.gz KHXOSJOVOJBJHC-MRXNPFEDSA-N 1 1 407.471 0.809 20 5 HCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000609685054 1078516204 /nfs/dbraw/zinc/51/62/04/1078516204.db2.gz PPEZQNJTEYQXNT-INIZCTEOSA-N 1 1 407.471 0.809 20 5 HCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000609685055 1078515811 /nfs/dbraw/zinc/51/58/11/1078515811.db2.gz PPEZQNJTEYQXNT-MRXNPFEDSA-N 1 1 407.471 0.809 20 5 HCBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000609685286 1078515349 /nfs/dbraw/zinc/51/53/49/1078515349.db2.gz RQBUVTSVYOVUOQ-KRWDZBQOSA-N 1 1 406.487 0.712 20 5 HCBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000609685296 1078515222 /nfs/dbraw/zinc/51/52/22/1078515222.db2.gz RQBUVTSVYOVUOQ-QGZVFWFLSA-N 1 1 406.487 0.712 20 5 HCBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000609685389 1078514764 /nfs/dbraw/zinc/51/47/64/1078514764.db2.gz UZAGEALTKJDVJS-INIZCTEOSA-N 1 1 406.487 0.712 20 5 HCBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000609685391 1078515254 /nfs/dbraw/zinc/51/52/54/1078515254.db2.gz UZAGEALTKJDVJS-MRXNPFEDSA-N 1 1 406.487 0.712 20 5 HCBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000609685935 1078516560 /nfs/dbraw/zinc/51/65/60/1078516560.db2.gz AUABKQNKGKAKQQ-INIZCTEOSA-N 1 1 407.471 0.679 20 5 HCBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000609685936 1078516732 /nfs/dbraw/zinc/51/67/32/1078516732.db2.gz AUABKQNKGKAKQQ-MRXNPFEDSA-N 1 1 407.471 0.679 20 5 HCBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609686010 1078516501 /nfs/dbraw/zinc/51/65/01/1078516501.db2.gz DHTSHUDNVXSLTN-AWEZNQCLSA-N 1 1 413.500 0.856 20 5 HCBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609686011 1078516916 /nfs/dbraw/zinc/51/69/16/1078516916.db2.gz DHTSHUDNVXSLTN-CQSZACIVSA-N 1 1 413.500 0.856 20 5 HCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000609691146 1078510424 /nfs/dbraw/zinc/51/04/24/1078510424.db2.gz PIRLXAIETWJNBO-HNNXBMFYSA-N 1 1 405.455 0.780 20 5 HCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000609691155 1078510389 /nfs/dbraw/zinc/51/03/89/1078510389.db2.gz PIRLXAIETWJNBO-OAHLLOKOSA-N 1 1 405.455 0.780 20 5 HCBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609741884 1078527429 /nfs/dbraw/zinc/52/74/29/1078527429.db2.gz DSTPBIDZSICBGS-CYBMUJFWSA-N 1 1 401.489 0.903 20 5 HCBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609741885 1078527626 /nfs/dbraw/zinc/52/76/26/1078527626.db2.gz DSTPBIDZSICBGS-ZDUSSCGKSA-N 1 1 401.489 0.903 20 5 HCBDMO CC[N@@H+](CCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000609741966 1078527604 /nfs/dbraw/zinc/52/76/04/1078527604.db2.gz MOZNVOIPOVQJGJ-UHFFFAOYSA-N 1 1 401.489 0.903 20 5 HCBDMO CCC[N@H+]1CC[C@@H](CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609744052 1078528857 /nfs/dbraw/zinc/52/88/57/1078528857.db2.gz BQTXTBBXYCHXEU-AWEZNQCLSA-N 1 1 413.500 0.904 20 5 HCBDMO CCC[N@H+]1CC[C@H](CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609744053 1078528677 /nfs/dbraw/zinc/52/86/77/1078528677.db2.gz BQTXTBBXYCHXEU-CQSZACIVSA-N 1 1 413.500 0.904 20 5 HCBDMO C[C@H]1CCC[N@@H+](CCNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609744902 1078528560 /nfs/dbraw/zinc/52/85/60/1078528560.db2.gz QOGDINYABRILNM-AWEZNQCLSA-N 1 1 413.500 0.904 20 5 HCBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609744903 1078528779 /nfs/dbraw/zinc/52/87/79/1078528779.db2.gz QOGDINYABRILNM-CQSZACIVSA-N 1 1 413.500 0.904 20 5 HCBDMO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000609746029 1078529308 /nfs/dbraw/zinc/52/93/08/1078529308.db2.gz YCWLNLDQVMEULE-KBPBESRZSA-N 1 1 411.484 0.799 20 5 HCBDMO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000609746030 1078529256 /nfs/dbraw/zinc/52/92/56/1078529256.db2.gz YCWLNLDQVMEULE-KGLIPLIRSA-N 1 1 411.484 0.799 20 5 HCBDMO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000609746031 1078529999 /nfs/dbraw/zinc/52/99/99/1078529999.db2.gz YCWLNLDQVMEULE-UONOGXRCSA-N 1 1 411.484 0.799 20 5 HCBDMO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000609746032 1078529923 /nfs/dbraw/zinc/52/99/23/1078529923.db2.gz YCWLNLDQVMEULE-ZIAGYGMSSA-N 1 1 411.484 0.799 20 5 HCBDMO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[NH+]1CCSCC1 ZINC000609746598 1078529390 /nfs/dbraw/zinc/52/93/90/1078529390.db2.gz BCVUUTFKFHLZPN-UHFFFAOYSA-N 1 1 417.513 0.221 20 5 HCBDMO CN(C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000609747845 1078531155 /nfs/dbraw/zinc/53/11/55/1078531155.db2.gz CHGABQVOMXMTOB-AWEZNQCLSA-N 1 1 411.484 0.751 20 5 HCBDMO CN(C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000609747847 1078530533 /nfs/dbraw/zinc/53/05/33/1078530533.db2.gz CHGABQVOMXMTOB-CQSZACIVSA-N 1 1 411.484 0.751 20 5 HCBDMO CC(C)[N@H+]1CCCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000609747973 1078530678 /nfs/dbraw/zinc/53/06/78/1078530678.db2.gz JAYCEWLAWIRRRQ-UHFFFAOYSA-N 1 1 413.500 0.999 20 5 HCBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609748251 1078530446 /nfs/dbraw/zinc/53/04/46/1078530446.db2.gz YEOCMFAQZKTXQA-AWEZNQCLSA-N 1 1 413.500 0.856 20 5 HCBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609748253 1078530726 /nfs/dbraw/zinc/53/07/26/1078530726.db2.gz YEOCMFAQZKTXQA-CQSZACIVSA-N 1 1 413.500 0.856 20 5 HCBDMO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609753750 1078536600 /nfs/dbraw/zinc/53/66/00/1078536600.db2.gz UUELWOGVHUNVJN-CQSZACIVSA-N 1 1 411.484 0.657 20 5 HCBDMO C[C@H](CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000609766543 1078537610 /nfs/dbraw/zinc/53/76/10/1078537610.db2.gz OJHYMIONVHGCJM-CYBMUJFWSA-N 1 1 411.890 0.978 20 5 HCBDMO C[C@@H](CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000609766544 1078537593 /nfs/dbraw/zinc/53/75/93/1078537593.db2.gz OJHYMIONVHGCJM-ZDUSSCGKSA-N 1 1 411.890 0.978 20 5 HCBDMO C[NH+]1CCN(C(=O)CCNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000609766666 1078537565 /nfs/dbraw/zinc/53/75/65/1078537565.db2.gz ZXZDJOGNTBYVGP-UHFFFAOYSA-N 1 1 411.846 0.258 20 5 HCBDMO Cc1c(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609840898 1078555875 /nfs/dbraw/zinc/55/58/75/1078555875.db2.gz VGZBHYKVRMPKDZ-TXEJJXNPSA-N 1 1 414.484 0.780 20 5 HCBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000609841543 1078555317 /nfs/dbraw/zinc/55/53/17/1078555317.db2.gz XFBPJDUAUURNNC-HNNXBMFYSA-N 1 1 423.518 0.934 20 5 HCBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000609841548 1078555373 /nfs/dbraw/zinc/55/53/73/1078555373.db2.gz XFBPJDUAUURNNC-OAHLLOKOSA-N 1 1 423.518 0.934 20 5 HCBDMO Cc1c(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609842019 1078555902 /nfs/dbraw/zinc/55/59/02/1078555902.db2.gz XNVVKNIZWBFCEN-CYBMUJFWSA-N 1 1 414.484 0.637 20 5 HCBDMO Cc1c(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609842020 1078556193 /nfs/dbraw/zinc/55/61/93/1078556193.db2.gz XNVVKNIZWBFCEN-ZDUSSCGKSA-N 1 1 414.484 0.637 20 5 HCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000609843415 1078551573 /nfs/dbraw/zinc/55/15/73/1078551573.db2.gz CSAFJENDYNWUAX-CABCVRRESA-N 1 1 423.518 0.886 20 5 HCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000609843416 1078551515 /nfs/dbraw/zinc/55/15/15/1078551515.db2.gz CSAFJENDYNWUAX-GJZGRUSLSA-N 1 1 423.518 0.886 20 5 HCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000609843417 1078551406 /nfs/dbraw/zinc/55/14/06/1078551406.db2.gz CSAFJENDYNWUAX-HUUCEWRRSA-N 1 1 423.518 0.886 20 5 HCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000609843418 1078551549 /nfs/dbraw/zinc/55/15/49/1078551549.db2.gz CSAFJENDYNWUAX-LSDHHAIUSA-N 1 1 423.518 0.886 20 5 HCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000609848104 1078552980 /nfs/dbraw/zinc/55/29/80/1078552980.db2.gz XTXKQLVFNVUVJM-CABCVRRESA-N 1 1 421.502 0.768 20 5 HCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000609848106 1078553149 /nfs/dbraw/zinc/55/31/49/1078553149.db2.gz XTXKQLVFNVUVJM-HUUCEWRRSA-N 1 1 421.502 0.768 20 5 HCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000609848107 1078553055 /nfs/dbraw/zinc/55/30/55/1078553055.db2.gz XTXKQLVFNVUVJM-LSDHHAIUSA-N 1 1 421.502 0.768 20 5 HCBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609854978 1078554116 /nfs/dbraw/zinc/55/41/16/1078554116.db2.gz ADXMKDJIUBXMIC-INIZCTEOSA-N 1 1 403.439 0.090 20 5 HCBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609854979 1078554006 /nfs/dbraw/zinc/55/40/06/1078554006.db2.gz ADXMKDJIUBXMIC-MRXNPFEDSA-N 1 1 403.439 0.090 20 5 HCBDMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C(C)(C)CO ZINC000609894946 1078561770 /nfs/dbraw/zinc/56/17/70/1078561770.db2.gz RCDCVBISAIKZQG-UHFFFAOYSA-N 1 1 414.484 0.130 20 5 HCBDMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)CO ZINC000609894973 1078561662 /nfs/dbraw/zinc/56/16/62/1078561662.db2.gz UHWFSSJAYNTOHK-UHFFFAOYSA-N 1 1 414.484 0.130 20 5 HCBDMO O=C(NCC[NH+]1CCSCC1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000609946050 1078579765 /nfs/dbraw/zinc/57/97/65/1078579765.db2.gz AQJUUHXYMBHYLY-UHFFFAOYSA-N 1 1 410.452 0.860 20 5 HCBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000609946549 1078579594 /nfs/dbraw/zinc/57/95/94/1078579594.db2.gz CVBJSGOPSBMHRO-CYBMUJFWSA-N 1 1 422.438 0.922 20 5 HCBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000609946550 1078579553 /nfs/dbraw/zinc/57/95/53/1078579553.db2.gz CVBJSGOPSBMHRO-ZDUSSCGKSA-N 1 1 422.438 0.922 20 5 HCBDMO Cc1ccc(NC(=O)C(=O)NCCCCN2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000609957798 1078574085 /nfs/dbraw/zinc/57/40/85/1078574085.db2.gz RILOJFCOJMWPIV-UHFFFAOYSA-N 1 1 407.471 0.348 20 5 HCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000609957880 1078574058 /nfs/dbraw/zinc/57/40/58/1078574058.db2.gz SFQATNNWIXXTPW-UHFFFAOYSA-N 1 1 407.471 0.348 20 5 HCBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000609975885 1078581756 /nfs/dbraw/zinc/58/17/56/1078581756.db2.gz YQAQCJNYMXOLFW-AWEZNQCLSA-N 1 1 416.434 0.904 20 5 HCBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000609975895 1078581711 /nfs/dbraw/zinc/58/17/11/1078581711.db2.gz YQAQCJNYMXOLFW-CQSZACIVSA-N 1 1 416.434 0.904 20 5 HCBDMO CN(CC(=O)NCCC[NH+]1CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609985325 1078582456 /nfs/dbraw/zinc/58/24/56/1078582456.db2.gz AGKPZNCVWPXSNL-UHFFFAOYSA-N 1 1 400.457 0.054 20 5 HCBDMO COCC[N@H+]1CCCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609987153 1078583140 /nfs/dbraw/zinc/58/31/40/1078583140.db2.gz FUONEVITBGHKQQ-UHFFFAOYSA-N 1 1 414.484 0.396 20 5 HCBDMO COCC[N@H+]1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609988243 1078583876 /nfs/dbraw/zinc/58/38/76/1078583876.db2.gz CHRCJZSVXZCOMP-CQSZACIVSA-N 1 1 414.484 0.442 20 5 HCBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609988652 1078583285 /nfs/dbraw/zinc/58/32/85/1078583285.db2.gz RWRRBMRTKFSGER-HNNXBMFYSA-N 1 1 414.484 0.442 20 5 HCBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609988653 1078583778 /nfs/dbraw/zinc/58/37/78/1078583778.db2.gz RWRRBMRTKFSGER-OAHLLOKOSA-N 1 1 414.484 0.442 20 5 HCBDMO COCC[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609989125 1078591867 /nfs/dbraw/zinc/59/18/67/1078591867.db2.gz CBMFFGNSGGNPIE-UHFFFAOYSA-N 1 1 400.457 0.006 20 5 HCBDMO CN(CC(=O)NCC[NH+]1CCSCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609989162 1078591824 /nfs/dbraw/zinc/59/18/24/1078591824.db2.gz GLTLTFKGOZRWAF-UHFFFAOYSA-N 1 1 402.498 0.380 20 5 HCBDMO CCOCC[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609989204 1078591977 /nfs/dbraw/zinc/59/19/77/1078591977.db2.gz JZTUPBVUOZNOKZ-UHFFFAOYSA-N 1 1 414.484 0.396 20 5 HCBDMO CN(C)c1[nH+]cc(CNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1C ZINC000609989329 1078591165 /nfs/dbraw/zinc/59/11/65/1078591165.db2.gz RVXHAHCYLOOPBY-UHFFFAOYSA-N 1 1 410.456 0.331 20 5 HCBDMO COCC[N@H+]1CC[C@@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609989473 1078581479 /nfs/dbraw/zinc/58/14/79/1078581479.db2.gz FBIZQWHAWPMZGS-CYBMUJFWSA-N 1 1 400.457 0.052 20 5 HCBDMO COCC[N@H+]1CC[C@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609989474 1078581550 /nfs/dbraw/zinc/58/15/50/1078581550.db2.gz FBIZQWHAWPMZGS-ZDUSSCGKSA-N 1 1 400.457 0.052 20 5 HCBDMO C[C@@H](CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000609996824 1078585255 /nfs/dbraw/zinc/58/52/55/1078585255.db2.gz PRCPNSFZXUGVOU-AWEZNQCLSA-N 1 1 414.484 0.348 20 5 HCBDMO C[C@H](CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000609996825 1078585535 /nfs/dbraw/zinc/58/55/35/1078585535.db2.gz PRCPNSFZXUGVOU-CQSZACIVSA-N 1 1 414.484 0.348 20 5 HCBDMO C[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000609997133 1078586548 /nfs/dbraw/zinc/58/65/48/1078586548.db2.gz ZEAQGWGPPKNACN-AWEZNQCLSA-N 1 1 414.484 0.348 20 5 HCBDMO C[C@H](CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000609997134 1078586449 /nfs/dbraw/zinc/58/64/49/1078586449.db2.gz ZEAQGWGPPKNACN-CQSZACIVSA-N 1 1 414.484 0.348 20 5 HCBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610003445 1078590123 /nfs/dbraw/zinc/59/01/23/1078590123.db2.gz FPUYWZFORLXYGP-INIZCTEOSA-N 1 1 413.500 0.843 20 5 HCBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610003446 1078590081 /nfs/dbraw/zinc/59/00/81/1078590081.db2.gz FPUYWZFORLXYGP-MRXNPFEDSA-N 1 1 413.500 0.843 20 5 HCBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000610024117 1078596298 /nfs/dbraw/zinc/59/62/98/1078596298.db2.gz JHYAQJHTNXQKSY-INIZCTEOSA-N 1 1 413.500 0.855 20 5 HCBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000610024118 1078596223 /nfs/dbraw/zinc/59/62/23/1078596223.db2.gz JHYAQJHTNXQKSY-MRXNPFEDSA-N 1 1 413.500 0.855 20 5 HCBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000610024430 1078596339 /nfs/dbraw/zinc/59/63/39/1078596339.db2.gz MDICUVZOSOBFGA-INIZCTEOSA-N 1 1 413.500 0.855 20 5 HCBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000610024431 1078596251 /nfs/dbraw/zinc/59/62/51/1078596251.db2.gz MDICUVZOSOBFGA-MRXNPFEDSA-N 1 1 413.500 0.855 20 5 HCBDMO C[C@H](CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C[NH+]1CCOCC1 ZINC000610031556 1078600700 /nfs/dbraw/zinc/60/07/00/1078600700.db2.gz ZLSARZPAHWYGHP-CYBMUJFWSA-N 1 1 422.438 0.779 20 5 HCBDMO C[C@@H](CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C[NH+]1CCOCC1 ZINC000610031557 1078600962 /nfs/dbraw/zinc/60/09/62/1078600962.db2.gz ZLSARZPAHWYGHP-ZDUSSCGKSA-N 1 1 422.438 0.779 20 5 HCBDMO CN(C)c1nc(N2CCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)CC2)cc[nH+]1 ZINC000610048822 1078606991 /nfs/dbraw/zinc/60/69/91/1078606991.db2.gz HQCIFJUOXPPWBQ-UHFFFAOYSA-N 1 1 423.437 0.994 20 5 HCBDMO CN(C)c1nc(N2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000610049229 1078607422 /nfs/dbraw/zinc/60/74/22/1078607422.db2.gz NWZPTYBEEVQNOP-UHFFFAOYSA-N 1 1 423.437 0.994 20 5 HCBDMO COc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cc1[N+](=O)[O-] ZINC000610086370 1078620468 /nfs/dbraw/zinc/62/04/68/1078620468.db2.gz LROPMIWFAXVEIW-UHFFFAOYSA-N 1 1 422.467 0.970 20 5 HCBDMO CN(C)c1nc(N2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000610090821 1078621648 /nfs/dbraw/zinc/62/16/48/1078621648.db2.gz ZAVFESLBLRDSFO-UHFFFAOYSA-N 1 1 413.438 0.529 20 5 HCBDMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000610101611 1078628610 /nfs/dbraw/zinc/62/86/10/1078628610.db2.gz CJRJZSHBTPOYSQ-UHFFFAOYSA-N 1 1 421.454 0.448 20 5 HCBDMO Cc1c(C(=O)NCCCCN2CC[NH+](C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610113931 1078623960 /nfs/dbraw/zinc/62/39/60/1078623960.db2.gz ACLNGJOYYGNFDM-UHFFFAOYSA-N 1 1 413.500 0.308 20 5 HCBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000610134044 1078636317 /nfs/dbraw/zinc/63/63/17/1078636317.db2.gz PTDQYFNXKRLPKJ-AWEZNQCLSA-N 1 1 400.432 0.661 20 5 HCBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000610134045 1078636551 /nfs/dbraw/zinc/63/65/51/1078636551.db2.gz PTDQYFNXKRLPKJ-CQSZACIVSA-N 1 1 400.432 0.661 20 5 HCBDMO COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000610134746 1078636995 /nfs/dbraw/zinc/63/69/95/1078636995.db2.gz SBZVWFUYNPRZKI-AWEZNQCLSA-N 1 1 412.468 0.531 20 5 HCBDMO COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000610134747 1078636916 /nfs/dbraw/zinc/63/69/16/1078636916.db2.gz SBZVWFUYNPRZKI-CQSZACIVSA-N 1 1 412.468 0.531 20 5 HCBDMO O=C(NCCC[NH+]1CCOCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000610144323 1078631731 /nfs/dbraw/zinc/63/17/31/1078631731.db2.gz LHPZEOVSWMDZJB-UHFFFAOYSA-N 1 1 405.455 0.785 20 5 HCBDMO O=C1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CN1CCN1CCOCC1 ZINC000610150947 1078635237 /nfs/dbraw/zinc/63/52/37/1078635237.db2.gz SKEZMXYKMMTQIM-HNNXBMFYSA-N 1 1 406.439 0.389 20 5 HCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000615310964 1078653596 /nfs/dbraw/zinc/65/35/96/1078653596.db2.gz CVHKENPDDSQBOZ-CYBMUJFWSA-N 1 1 405.455 0.827 20 5 HCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000615310964 1078653591 /nfs/dbraw/zinc/65/35/91/1078653591.db2.gz CVHKENPDDSQBOZ-CYBMUJFWSA-N 1 1 405.455 0.827 20 5 HCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000615310965 1078653755 /nfs/dbraw/zinc/65/37/55/1078653755.db2.gz CVHKENPDDSQBOZ-ZDUSSCGKSA-N 1 1 405.455 0.827 20 5 HCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000615310965 1078653751 /nfs/dbraw/zinc/65/37/51/1078653751.db2.gz CVHKENPDDSQBOZ-ZDUSSCGKSA-N 1 1 405.455 0.827 20 5 HCBDMO COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000615311632 1078653182 /nfs/dbraw/zinc/65/31/82/1078653182.db2.gz RSMBNRGQVWFRGV-AWEZNQCLSA-N 1 1 405.455 0.827 20 5 HCBDMO COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000615311632 1078653178 /nfs/dbraw/zinc/65/31/78/1078653178.db2.gz RSMBNRGQVWFRGV-AWEZNQCLSA-N 1 1 405.455 0.827 20 5 HCBDMO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000615311634 1078653085 /nfs/dbraw/zinc/65/30/85/1078653085.db2.gz RSMBNRGQVWFRGV-CQSZACIVSA-N 1 1 405.455 0.827 20 5 HCBDMO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000615311634 1078653083 /nfs/dbraw/zinc/65/30/83/1078653083.db2.gz RSMBNRGQVWFRGV-CQSZACIVSA-N 1 1 405.455 0.827 20 5 HCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000615315091 1078656694 /nfs/dbraw/zinc/65/66/94/1078656694.db2.gz BHDHWOJZVOHRGU-HNNXBMFYSA-N 1 1 405.455 0.364 20 5 HCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000615315093 1078656633 /nfs/dbraw/zinc/65/66/33/1078656633.db2.gz BHDHWOJZVOHRGU-OAHLLOKOSA-N 1 1 405.455 0.364 20 5 HCBDMO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000615315726 1078657876 /nfs/dbraw/zinc/65/78/76/1078657876.db2.gz NOVJJSWRLBTJBI-OAHLLOKOSA-N 1 1 421.454 0.065 20 5 HCBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000615315772 1078657295 /nfs/dbraw/zinc/65/72/95/1078657295.db2.gz QMPHMPGNYPLOIW-INIZCTEOSA-N 1 1 419.482 0.673 20 5 HCBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000615315777 1078657347 /nfs/dbraw/zinc/65/73/47/1078657347.db2.gz QMPHMPGNYPLOIW-MRXNPFEDSA-N 1 1 419.482 0.673 20 5 HCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000615315815 1078657411 /nfs/dbraw/zinc/65/74/11/1078657411.db2.gz RSHHVLXYIJMVGH-AWEZNQCLSA-N 1 1 421.454 0.065 20 5 HCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000615315818 1078657393 /nfs/dbraw/zinc/65/73/93/1078657393.db2.gz RSHHVLXYIJMVGH-CQSZACIVSA-N 1 1 421.454 0.065 20 5 HCBDMO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000615315896 1078657359 /nfs/dbraw/zinc/65/73/59/1078657359.db2.gz VHDXJVPQQGDQGD-MRXNPFEDSA-N 1 1 405.455 0.364 20 5 HCBDMO Cc1c(NC(=O)C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000615315925 1078657207 /nfs/dbraw/zinc/65/72/07/1078657207.db2.gz WHCMZCRLBJZCGF-HNNXBMFYSA-N 1 1 405.455 0.364 20 5 HCBDMO Cc1c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000615315928 1078657194 /nfs/dbraw/zinc/65/71/94/1078657194.db2.gz WHCMZCRLBJZCGF-OAHLLOKOSA-N 1 1 405.455 0.364 20 5 HCBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615691483 1078685023 /nfs/dbraw/zinc/68/50/23/1078685023.db2.gz BATRUNLADMMOEW-INIZCTEOSA-N 1 1 419.482 0.774 20 5 HCBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615691484 1078685040 /nfs/dbraw/zinc/68/50/40/1078685040.db2.gz BATRUNLADMMOEW-MRXNPFEDSA-N 1 1 419.482 0.774 20 5 HCBDMO COC(=O)c1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c(C)c([N+](=O)[O-])c1 ZINC000617086195 1078803503 /nfs/dbraw/zinc/80/35/03/1078803503.db2.gz FBJUWFODSKDPKO-ABAIWWIYSA-N 1 1 408.411 0.464 20 5 HCBDMO COC(=O)c1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c(C)c([N+](=O)[O-])c1 ZINC000617086195 1078803502 /nfs/dbraw/zinc/80/35/02/1078803502.db2.gz FBJUWFODSKDPKO-ABAIWWIYSA-N 1 1 408.411 0.464 20 5 HCBDMO COC(=O)c1cc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c(C)c([N+](=O)[O-])c1 ZINC000617086196 1078803543 /nfs/dbraw/zinc/80/35/43/1078803543.db2.gz FBJUWFODSKDPKO-IAQYHMDHSA-N 1 1 408.411 0.464 20 5 HCBDMO COC(=O)c1cc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c(C)c([N+](=O)[O-])c1 ZINC000617086196 1078803542 /nfs/dbraw/zinc/80/35/42/1078803542.db2.gz FBJUWFODSKDPKO-IAQYHMDHSA-N 1 1 408.411 0.464 20 5 HCBDMO COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c(C)c([N+](=O)[O-])c1 ZINC000617086197 1078803447 /nfs/dbraw/zinc/80/34/47/1078803447.db2.gz FBJUWFODSKDPKO-NHYWBVRUSA-N 1 1 408.411 0.464 20 5 HCBDMO COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c(C)c([N+](=O)[O-])c1 ZINC000617086197 1078803446 /nfs/dbraw/zinc/80/34/46/1078803446.db2.gz FBJUWFODSKDPKO-NHYWBVRUSA-N 1 1 408.411 0.464 20 5 HCBDMO COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c(C)c([N+](=O)[O-])c1 ZINC000617086198 1078803490 /nfs/dbraw/zinc/80/34/90/1078803490.db2.gz FBJUWFODSKDPKO-XHDPSFHLSA-N 1 1 408.411 0.464 20 5 HCBDMO COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c(C)c([N+](=O)[O-])c1 ZINC000617086198 1078803486 /nfs/dbraw/zinc/80/34/86/1078803486.db2.gz FBJUWFODSKDPKO-XHDPSFHLSA-N 1 1 408.411 0.464 20 5 HCBDMO O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000618208211 1078857480 /nfs/dbraw/zinc/85/74/80/1078857480.db2.gz OXVTYHPIMCLUFX-DOTOQJQBSA-N 1 1 416.434 0.919 20 5 HCBDMO O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000618208212 1078857435 /nfs/dbraw/zinc/85/74/35/1078857435.db2.gz OXVTYHPIMCLUFX-NVXWUHKLSA-N 1 1 416.434 0.919 20 5 HCBDMO O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000618208213 1078857508 /nfs/dbraw/zinc/85/75/08/1078857508.db2.gz OXVTYHPIMCLUFX-RDJZCZTQSA-N 1 1 416.434 0.919 20 5 HCBDMO O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000618208214 1078857539 /nfs/dbraw/zinc/85/75/39/1078857539.db2.gz OXVTYHPIMCLUFX-WBVHZDCISA-N 1 1 416.434 0.919 20 5 HCBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000618211702 1078857421 /nfs/dbraw/zinc/85/74/21/1078857421.db2.gz STXRJIFMEXQGHV-UHFFFAOYSA-N 1 1 417.422 0.094 20 5 HCBDMO CC1(C)CN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000618226461 1078857810 /nfs/dbraw/zinc/85/78/10/1078857810.db2.gz FHCXJSVLJCUTDR-UHFFFAOYSA-N 1 1 404.423 0.777 20 5 HCBDMO CC1(C)CN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000618226461 1078857806 /nfs/dbraw/zinc/85/78/06/1078857806.db2.gz FHCXJSVLJCUTDR-UHFFFAOYSA-N 1 1 404.423 0.777 20 5 HCBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CC1 ZINC000618238541 1078857854 /nfs/dbraw/zinc/85/78/54/1078857854.db2.gz FXCUIEWOEMZRSG-UHFFFAOYSA-N 1 1 404.423 0.777 20 5 HCBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618815080 1078873780 /nfs/dbraw/zinc/87/37/80/1078873780.db2.gz SHJZJIPFFUWFTA-INIZCTEOSA-N 1 1 421.502 0.544 20 5 HCBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618815083 1078873801 /nfs/dbraw/zinc/87/38/01/1078873801.db2.gz SHJZJIPFFUWFTA-MRXNPFEDSA-N 1 1 421.502 0.544 20 5 HCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000619480435 1078902201 /nfs/dbraw/zinc/90/22/01/1078902201.db2.gz NAZKLNXMESZCOV-AWEZNQCLSA-N 1 1 412.468 0.706 20 5 HCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000619480435 1078902190 /nfs/dbraw/zinc/90/21/90/1078902190.db2.gz NAZKLNXMESZCOV-AWEZNQCLSA-N 1 1 412.468 0.706 20 5 HCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000619480436 1078902259 /nfs/dbraw/zinc/90/22/59/1078902259.db2.gz NAZKLNXMESZCOV-CQSZACIVSA-N 1 1 412.468 0.706 20 5 HCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000619480436 1078902255 /nfs/dbraw/zinc/90/22/55/1078902255.db2.gz NAZKLNXMESZCOV-CQSZACIVSA-N 1 1 412.468 0.706 20 5 HCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000619480829 1078902911 /nfs/dbraw/zinc/90/29/11/1078902911.db2.gz DCBRZEASDHWRSO-AWEZNQCLSA-N 1 1 414.484 0.824 20 5 HCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000619480829 1078902905 /nfs/dbraw/zinc/90/29/05/1078902905.db2.gz DCBRZEASDHWRSO-AWEZNQCLSA-N 1 1 414.484 0.824 20 5 HCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000619480830 1078902935 /nfs/dbraw/zinc/90/29/35/1078902935.db2.gz DCBRZEASDHWRSO-CQSZACIVSA-N 1 1 414.484 0.824 20 5 HCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000619480830 1078902931 /nfs/dbraw/zinc/90/29/31/1078902931.db2.gz DCBRZEASDHWRSO-CQSZACIVSA-N 1 1 414.484 0.824 20 5 HCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000619481270 1078902753 /nfs/dbraw/zinc/90/27/53/1078902753.db2.gz YSULJWXKQAPPDW-GFCCVEGCSA-N 1 1 400.457 0.469 20 5 HCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000619481271 1078902115 /nfs/dbraw/zinc/90/21/15/1078902115.db2.gz YSULJWXKQAPPDW-LBPRGKRZSA-N 1 1 400.457 0.469 20 5 HCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000619491593 1078905453 /nfs/dbraw/zinc/90/54/53/1078905453.db2.gz ARAACIZFTUPLEP-AWEZNQCLSA-N 1 1 412.468 0.531 20 5 HCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000619495084 1078906794 /nfs/dbraw/zinc/90/67/94/1078906794.db2.gz NNMWXGPPNBMAID-UHFFFAOYSA-N 1 1 415.468 0.451 20 5 HCBDMO CN(C)CCNS(=O)(=O)c1ccc(NCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000619515858 1078909253 /nfs/dbraw/zinc/90/92/53/1078909253.db2.gz OVRVPIIFKUQPGI-UHFFFAOYSA-N 1 1 414.532 0.094 20 5 HCBDMO COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000619564631 1078915845 /nfs/dbraw/zinc/91/58/45/1078915845.db2.gz AWPIJAXWSBXPSA-UHFFFAOYSA-N 1 1 424.454 0.475 20 5 HCBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000619578502 1078916820 /nfs/dbraw/zinc/91/68/20/1078916820.db2.gz JQVMQSRCQLSYIB-CYBMUJFWSA-N 1 1 413.500 0.987 20 5 HCBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000619578511 1078916802 /nfs/dbraw/zinc/91/68/02/1078916802.db2.gz JQVMQSRCQLSYIB-ZDUSSCGKSA-N 1 1 413.500 0.987 20 5 HCBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000619645716 1078922367 /nfs/dbraw/zinc/92/23/67/1078922367.db2.gz LNHMZXKKLUUCEB-CVEARBPZSA-N 1 1 406.439 0.990 20 5 HCBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000619645717 1078922208 /nfs/dbraw/zinc/92/22/08/1078922208.db2.gz LNHMZXKKLUUCEB-HOTGVXAUSA-N 1 1 406.439 0.990 20 5 HCBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000619645718 1078922256 /nfs/dbraw/zinc/92/22/56/1078922256.db2.gz LNHMZXKKLUUCEB-HZPDHXFCSA-N 1 1 406.439 0.990 20 5 HCBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000619645719 1078922189 /nfs/dbraw/zinc/92/21/89/1078922189.db2.gz LNHMZXKKLUUCEB-JKSUJKDBSA-N 1 1 406.439 0.990 20 5 HCBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)CC2)C1 ZINC000619775930 1078936166 /nfs/dbraw/zinc/93/61/66/1078936166.db2.gz IEVHGDWPLYTNJM-HNNXBMFYSA-N 1 1 410.496 0.850 20 5 HCBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)CC2)C1 ZINC000619775931 1078936373 /nfs/dbraw/zinc/93/63/73/1078936373.db2.gz IEVHGDWPLYTNJM-OAHLLOKOSA-N 1 1 410.496 0.850 20 5 HCBDMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000619786483 1078937277 /nfs/dbraw/zinc/93/72/77/1078937277.db2.gz GNBWYGJJWIDTMY-UHFFFAOYSA-N 1 1 401.427 0.780 20 5 HCBDMO Cc1cc(=O)c(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)nn1-c1ccccc1[N+](=O)[O-] ZINC000619873377 1078952045 /nfs/dbraw/zinc/95/20/45/1078952045.db2.gz IEFLWHKHYGRTBG-HNNXBMFYSA-N 1 1 412.450 0.569 20 5 HCBDMO Cc1cc(=O)c(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)nn1-c1ccccc1[N+](=O)[O-] ZINC000619873377 1078952037 /nfs/dbraw/zinc/95/20/37/1078952037.db2.gz IEFLWHKHYGRTBG-HNNXBMFYSA-N 1 1 412.450 0.569 20 5 HCBDMO Cc1cc(=O)c(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)nn1-c1ccccc1[N+](=O)[O-] ZINC000619873378 1078951684 /nfs/dbraw/zinc/95/16/84/1078951684.db2.gz IEFLWHKHYGRTBG-OAHLLOKOSA-N 1 1 412.450 0.569 20 5 HCBDMO Cc1cc(=O)c(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)nn1-c1ccccc1[N+](=O)[O-] ZINC000619873378 1078951677 /nfs/dbraw/zinc/95/16/77/1078951677.db2.gz IEFLWHKHYGRTBG-OAHLLOKOSA-N 1 1 412.450 0.569 20 5 HCBDMO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000619873531 1078951714 /nfs/dbraw/zinc/95/17/14/1078951714.db2.gz KYCVDXHHCZWTTO-HNNXBMFYSA-N 1 1 403.439 0.789 20 5 HCBDMO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000619873532 1078951862 /nfs/dbraw/zinc/95/18/62/1078951862.db2.gz KYCVDXHHCZWTTO-OAHLLOKOSA-N 1 1 403.439 0.789 20 5 HCBDMO CN(CC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000737820604 1077910538 /nfs/dbraw/zinc/91/05/38/1077910538.db2.gz MHNIDEGAOXFUFH-HUUCEWRRSA-N 1 1 412.468 0.195 20 5 HCBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000761525756 1077333366 /nfs/dbraw/zinc/33/33/66/1077333366.db2.gz WYDROFJPQLHXDO-UHFFFAOYSA-N 1 1 411.846 0.809 20 5 HCBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000761537288 1077334441 /nfs/dbraw/zinc/33/44/41/1077334441.db2.gz HIVGTMJDXFWMEB-UHFFFAOYSA-N 1 1 419.482 0.668 20 5 HCBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000761549147 1077335635 /nfs/dbraw/zinc/33/56/35/1077335635.db2.gz MFFRFNJJKHZCGI-UHFFFAOYSA-N 1 1 422.438 0.417 20 5 HCBDMO Cc1cc(Br)c(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000762700358 1077884897 /nfs/dbraw/zinc/88/48/97/1077884897.db2.gz NMFFRHDSISFPFZ-HNNXBMFYSA-N 1 1 415.244 0.787 20 5 HCBDMO Cc1cc(Br)c(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000762700361 1077884930 /nfs/dbraw/zinc/88/49/30/1077884930.db2.gz NMFFRHDSISFPFZ-OAHLLOKOSA-N 1 1 415.244 0.787 20 5 HCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000762716231 1077891261 /nfs/dbraw/zinc/89/12/61/1077891261.db2.gz JOQUTHHRPOZEIA-CYBMUJFWSA-N 1 1 405.192 0.996 20 5 HCBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000762716232 1077891295 /nfs/dbraw/zinc/89/12/95/1077891295.db2.gz JOQUTHHRPOZEIA-ZDUSSCGKSA-N 1 1 405.192 0.996 20 5 HCBDMO COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000762945188 1077956406 /nfs/dbraw/zinc/95/64/06/1077956406.db2.gz QNEHIXYZSJIOPK-UHFFFAOYSA-N 1 1 424.479 0.930 20 5 HCBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000765221342 1079399555 /nfs/dbraw/zinc/39/95/55/1079399555.db2.gz LOVZHVIAJIYNFV-CYBMUJFWSA-N 1 1 400.432 0.661 20 5 HCBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000765221343 1079399754 /nfs/dbraw/zinc/39/97/54/1079399754.db2.gz LOVZHVIAJIYNFV-ZDUSSCGKSA-N 1 1 400.432 0.661 20 5 HCBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000784345804 1077259159 /nfs/dbraw/zinc/25/91/59/1077259159.db2.gz FZBLCKMOZODGTD-UHFFFAOYSA-N 1 1 403.432 0.582 20 5 HCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000914780098 1077754154 /nfs/dbraw/zinc/75/41/54/1077754154.db2.gz GDOHUGLTAKNWQQ-UHFFFAOYSA-N 1 1 405.455 0.372 20 5 HCBDMO C[NH+](C)CCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCS(=O)(=O)C1 ZINC000915282431 1077851062 /nfs/dbraw/zinc/85/10/62/1077851062.db2.gz FQWREGYMKIDULP-HNNXBMFYSA-N 1 1 409.468 0.522 20 5 HCBDMO C[NH+](C)CCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCS(=O)(=O)C1 ZINC000915282432 1077851035 /nfs/dbraw/zinc/85/10/35/1077851035.db2.gz FQWREGYMKIDULP-OAHLLOKOSA-N 1 1 409.468 0.522 20 5 HCBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000915354506 1077862153 /nfs/dbraw/zinc/86/21/53/1077862153.db2.gz DQWNAQMFIFZWOK-UHFFFAOYSA-N 1 1 404.876 0.951 20 5 HCBDMO CC(C)[C@H](CNC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000915882386 1078046821 /nfs/dbraw/zinc/04/68/21/1078046821.db2.gz ONNVOOBXNJMHRZ-BZSNNMDCSA-N 1 1 410.471 0.645 20 5 HCBDMO CC(C)[C@H](CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000915882389 1078046770 /nfs/dbraw/zinc/04/67/70/1078046770.db2.gz ONNVOOBXNJMHRZ-FGTMMUONSA-N 1 1 410.471 0.645 20 5 HCBDMO CC(C)[C@H](CNC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000915882391 1078046911 /nfs/dbraw/zinc/04/69/11/1078046911.db2.gz ONNVOOBXNJMHRZ-OKZBNKHCSA-N 1 1 410.471 0.645 20 5 HCBDMO CC(C)[C@H](CNC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000915882398 1078046850 /nfs/dbraw/zinc/04/68/50/1078046850.db2.gz ONNVOOBXNJMHRZ-SQNIBIBYSA-N 1 1 410.471 0.645 20 5 HCBDMO CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915882685 1078047367 /nfs/dbraw/zinc/04/73/67/1078047367.db2.gz RXZYJLMABWNZQG-DLBZAZTESA-N 1 1 409.487 0.314 20 5 HCBDMO CN1CC[NH+](C(C)(C)CNC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915882686 1078047407 /nfs/dbraw/zinc/04/74/07/1078047407.db2.gz RXZYJLMABWNZQG-IAGOWNOFSA-N 1 1 409.487 0.314 20 5 HCBDMO CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915882687 1078047282 /nfs/dbraw/zinc/04/72/82/1078047282.db2.gz RXZYJLMABWNZQG-IRXDYDNUSA-N 1 1 409.487 0.314 20 5 HCBDMO CN1CC[NH+](C(C)(C)CNC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915882688 1078047340 /nfs/dbraw/zinc/04/73/40/1078047340.db2.gz RXZYJLMABWNZQG-SJORKVTESA-N 1 1 409.487 0.314 20 5 HCBDMO C[C@@H]1C[N@H+](CCCNC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000915882879 1078047417 /nfs/dbraw/zinc/04/74/17/1078047417.db2.gz VVYPZCSYTPPQKE-LTCOOKNTSA-N 1 1 410.471 0.788 20 5 HCBDMO C[C@@H]1C[N@H+](CCCNC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000915882880 1078047711 /nfs/dbraw/zinc/04/77/11/1078047711.db2.gz VVYPZCSYTPPQKE-NONVJHHQSA-N 1 1 410.471 0.788 20 5 HCBDMO CC(C)[C@H](CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000915882928 1078047602 /nfs/dbraw/zinc/04/76/02/1078047602.db2.gz XGQYUFKPEBVKOU-CEXWTWQISA-N 1 1 423.514 0.560 20 5 HCBDMO CC(C)[C@H](CNC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000915882929 1078047556 /nfs/dbraw/zinc/04/75/56/1078047556.db2.gz XGQYUFKPEBVKOU-FHWLQOOXSA-N 1 1 423.514 0.560 20 5 HCBDMO CC(C)[C@H](CNC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000915882930 1078047526 /nfs/dbraw/zinc/04/75/26/1078047526.db2.gz XGQYUFKPEBVKOU-GBESFXJTSA-N 1 1 423.514 0.560 20 5 HCBDMO CC(C)[C@H](CNC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000915882931 1078047621 /nfs/dbraw/zinc/04/76/21/1078047621.db2.gz XGQYUFKPEBVKOU-QYZOEREBSA-N 1 1 423.514 0.560 20 5 HCBDMO CN(C)CC[NH+]1CCC(NC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915883053 1078047258 /nfs/dbraw/zinc/04/72/58/1078047258.db2.gz YYALZJOUVCKHAZ-MSOLQXFVSA-N 1 1 409.487 0.314 20 5 HCBDMO CN(C)CC[NH+]1CCC(NC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915883054 1078047227 /nfs/dbraw/zinc/04/72/27/1078047227.db2.gz YYALZJOUVCKHAZ-QZTJIDSGSA-N 1 1 409.487 0.314 20 5 HCBDMO CN(C)CC[NH+]1CCC(NC(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915883055 1078047394 /nfs/dbraw/zinc/04/73/94/1078047394.db2.gz YYALZJOUVCKHAZ-ROUUACIJSA-N 1 1 409.487 0.314 20 5 HCBDMO CN(C)CC[NH+]1CCC(NC(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915883067 1078047383 /nfs/dbraw/zinc/04/73/83/1078047383.db2.gz YYALZJOUVCKHAZ-ZWKOTPCHSA-N 1 1 409.487 0.314 20 5 HCBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000915884475 1078047818 /nfs/dbraw/zinc/04/78/18/1078047818.db2.gz ZXHUMMWMWGYUPW-FGTMMUONSA-N 1 1 410.471 0.645 20 5 HCBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000915884478 1078047868 /nfs/dbraw/zinc/04/78/68/1078047868.db2.gz ZXHUMMWMWGYUPW-KURKYZTESA-N 1 1 410.471 0.645 20 5 HCBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000915884479 1078048107 /nfs/dbraw/zinc/04/81/07/1078048107.db2.gz ZXHUMMWMWGYUPW-KZNAEPCWSA-N 1 1 410.471 0.645 20 5 HCBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000915884480 1078048149 /nfs/dbraw/zinc/04/81/49/1078048149.db2.gz ZXHUMMWMWGYUPW-SQNIBIBYSA-N 1 1 410.471 0.645 20 5 HCBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000916558575 1078093098 /nfs/dbraw/zinc/09/30/98/1078093098.db2.gz XCVCJYGEWVCRJS-UHFFFAOYSA-N 1 1 405.455 0.277 20 5 HCBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000916596520 1078094515 /nfs/dbraw/zinc/09/45/15/1078094515.db2.gz AKPAFFQNAZGACF-GFCCVEGCSA-N 1 1 413.452 0.708 20 5 HCBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000916596521 1078094934 /nfs/dbraw/zinc/09/49/34/1078094934.db2.gz AKPAFFQNAZGACF-LBPRGKRZSA-N 1 1 413.452 0.708 20 5 HCBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000916598330 1078094790 /nfs/dbraw/zinc/09/47/90/1078094790.db2.gz WKIYXIHEXZGOJK-GFCCVEGCSA-N 1 1 418.406 0.287 20 5 HCBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000916598331 1078094884 /nfs/dbraw/zinc/09/48/84/1078094884.db2.gz WKIYXIHEXZGOJK-LBPRGKRZSA-N 1 1 418.406 0.287 20 5 HCBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000916599502 1078095123 /nfs/dbraw/zinc/09/51/23/1078095123.db2.gz SKGJOOIEDNPLOM-AWEZNQCLSA-N 1 1 406.439 0.729 20 5 HCBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000916599504 1078095233 /nfs/dbraw/zinc/09/52/33/1078095233.db2.gz SKGJOOIEDNPLOM-CQSZACIVSA-N 1 1 406.439 0.729 20 5 HCBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000916599554 1078095147 /nfs/dbraw/zinc/09/51/47/1078095147.db2.gz UEZLRQSJPKBUSU-GFCCVEGCSA-N 1 1 424.479 0.882 20 5 HCBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000916599555 1078095207 /nfs/dbraw/zinc/09/52/07/1078095207.db2.gz UEZLRQSJPKBUSU-LBPRGKRZSA-N 1 1 424.479 0.882 20 5 HCBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000916612996 1078096356 /nfs/dbraw/zinc/09/63/56/1078096356.db2.gz LOZPQRDHMBBINE-AWEZNQCLSA-N 1 1 406.439 0.811 20 5 HCBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000916612997 1078096246 /nfs/dbraw/zinc/09/62/46/1078096246.db2.gz LOZPQRDHMBBINE-CQSZACIVSA-N 1 1 406.439 0.811 20 5 HCBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000916617337 1078096532 /nfs/dbraw/zinc/09/65/32/1078096532.db2.gz VHOIXBVGRRCXCM-GFCCVEGCSA-N 1 1 418.406 0.287 20 5 HCBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000916617338 1078096705 /nfs/dbraw/zinc/09/67/05/1078096705.db2.gz VHOIXBVGRRCXCM-LBPRGKRZSA-N 1 1 418.406 0.287 20 5 HCBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000916618247 1078096876 /nfs/dbraw/zinc/09/68/76/1078096876.db2.gz JBBSPAASZLQSJL-CYBMUJFWSA-N 1 1 422.438 0.429 20 5 HCBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000916618248 1078096999 /nfs/dbraw/zinc/09/69/99/1078096999.db2.gz JBBSPAASZLQSJL-ZDUSSCGKSA-N 1 1 422.438 0.429 20 5 HCBDMO COCC(=O)NC1CC[NH+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000917119956 1078218915 /nfs/dbraw/zinc/21/89/15/1078218915.db2.gz MOFNUKWJEWDTEK-UHFFFAOYSA-N 1 1 419.482 0.470 20 5 HCBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000917177678 1078236261 /nfs/dbraw/zinc/23/62/61/1078236261.db2.gz AGLKHKSFYMNDSG-UHFFFAOYSA-N 1 1 406.439 0.893 20 5 HCBDMO C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])CC2)CC1 ZINC000918194669 1078371512 /nfs/dbraw/zinc/37/15/12/1078371512.db2.gz ZOIBFKAAURYNNA-UHFFFAOYSA-N 1 1 414.459 0.909 20 5 HCBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000919504825 1078892110 /nfs/dbraw/zinc/89/21/10/1078892110.db2.gz COQRZMZTVQXIMY-ZDUSSCGKSA-N 1 1 412.418 0.946 20 5 HCBDMO C[C@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000919520381 1078900799 /nfs/dbraw/zinc/90/07/99/1078900799.db2.gz RLUUAIQXODSFJU-DZGCQCFKSA-N 1 1 402.411 0.509 20 5 HCBDMO C[C@@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000919520382 1078900846 /nfs/dbraw/zinc/90/08/46/1078900846.db2.gz RLUUAIQXODSFJU-HIFRSBDPSA-N 1 1 402.411 0.509 20 5 HCBDMO C[C@@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000919520383 1078900744 /nfs/dbraw/zinc/90/07/44/1078900744.db2.gz RLUUAIQXODSFJU-UKRRQHHQSA-N 1 1 402.411 0.509 20 5 HCBDMO C[C@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000919520384 1078900730 /nfs/dbraw/zinc/90/07/30/1078900730.db2.gz RLUUAIQXODSFJU-ZFWWWQNUSA-N 1 1 402.411 0.509 20 5 HCBDMO C[N@H+]1Cc2ccc(NC(=O)C(=O)N[C@H](CO)[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000919798567 1079013655 /nfs/dbraw/zinc/01/36/55/1079013655.db2.gz DAQVHRYXBZYESC-MSOLQXFVSA-N 1 1 414.418 0.689 20 5 HCBDMO C[N@@H+]1Cc2ccc(NC(=O)C(=O)N[C@H](CO)[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000919798567 1079013646 /nfs/dbraw/zinc/01/36/46/1079013646.db2.gz DAQVHRYXBZYESC-MSOLQXFVSA-N 1 1 414.418 0.689 20 5 HCBDMO C[N@H+]1Cc2ccc(NC(=O)C(=O)N[C@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000919798568 1079013483 /nfs/dbraw/zinc/01/34/83/1079013483.db2.gz DAQVHRYXBZYESC-QZTJIDSGSA-N 1 1 414.418 0.689 20 5 HCBDMO C[N@@H+]1Cc2ccc(NC(=O)C(=O)N[C@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000919798568 1079013474 /nfs/dbraw/zinc/01/34/74/1079013474.db2.gz DAQVHRYXBZYESC-QZTJIDSGSA-N 1 1 414.418 0.689 20 5 HCBDMO C[N@H+]1Cc2ccc(NC(=O)C(=O)N[C@@H](CO)[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000919798569 1079013573 /nfs/dbraw/zinc/01/35/73/1079013573.db2.gz DAQVHRYXBZYESC-ROUUACIJSA-N 1 1 414.418 0.689 20 5 HCBDMO C[N@@H+]1Cc2ccc(NC(=O)C(=O)N[C@@H](CO)[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000919798569 1079013566 /nfs/dbraw/zinc/01/35/66/1079013566.db2.gz DAQVHRYXBZYESC-ROUUACIJSA-N 1 1 414.418 0.689 20 5 HCBDMO C[N@H+]1Cc2ccc(NC(=O)C(=O)N[C@@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000919798570 1079013611 /nfs/dbraw/zinc/01/36/11/1079013611.db2.gz DAQVHRYXBZYESC-ZWKOTPCHSA-N 1 1 414.418 0.689 20 5 HCBDMO C[N@@H+]1Cc2ccc(NC(=O)C(=O)N[C@@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000919798570 1079013605 /nfs/dbraw/zinc/01/36/05/1079013605.db2.gz DAQVHRYXBZYESC-ZWKOTPCHSA-N 1 1 414.418 0.689 20 5 HCBDMO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+]C[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000920089209 1079101020 /nfs/dbraw/zinc/10/10/20/1079101020.db2.gz XJSFUQBBOASADY-ACRUOGEOSA-N 1 1 401.463 0.998 20 5 HCBDMO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000920089209 1079101018 /nfs/dbraw/zinc/10/10/18/1079101018.db2.gz XJSFUQBBOASADY-ACRUOGEOSA-N 1 1 401.463 0.998 20 5 HCBDMO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+]C[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000920089210 1079101010 /nfs/dbraw/zinc/10/10/10/1079101010.db2.gz XJSFUQBBOASADY-HBMCJLEFSA-N 1 1 401.463 0.998 20 5 HCBDMO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000920089210 1079101007 /nfs/dbraw/zinc/10/10/07/1079101007.db2.gz XJSFUQBBOASADY-HBMCJLEFSA-N 1 1 401.463 0.998 20 5 HCBDMO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000920089211 1079101135 /nfs/dbraw/zinc/10/11/35/1079101135.db2.gz XJSFUQBBOASADY-HKBOAZHASA-N 1 1 401.463 0.998 20 5 HCBDMO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000920089211 1079101131 /nfs/dbraw/zinc/10/11/31/1079101131.db2.gz XJSFUQBBOASADY-HKBOAZHASA-N 1 1 401.463 0.998 20 5 HCBDMO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000920089213 1079101569 /nfs/dbraw/zinc/10/15/69/1079101569.db2.gz XJSFUQBBOASADY-NJYVYQBISA-N 1 1 401.463 0.998 20 5 HCBDMO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000920089213 1079101565 /nfs/dbraw/zinc/10/15/65/1079101565.db2.gz XJSFUQBBOASADY-NJYVYQBISA-N 1 1 401.463 0.998 20 5 HCBDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000920450814 1079160741 /nfs/dbraw/zinc/16/07/41/1079160741.db2.gz DPUPFNVUEHDKAY-UHFFFAOYSA-N 1 1 414.466 0.957 20 5 HCBDMO Cc1nn(C)c(C(=O)OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1[N+](=O)[O-] ZINC000920660987 1079201866 /nfs/dbraw/zinc/20/18/66/1079201866.db2.gz KJJJKJTTZBTNOC-UHFFFAOYSA-N 1 1 423.470 0.945 20 5 HCBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000920704356 1079205434 /nfs/dbraw/zinc/20/54/34/1079205434.db2.gz OREDEZXDUJBEEJ-GFCCVEGCSA-N 1 1 413.452 0.708 20 5 HCBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000920704357 1079205370 /nfs/dbraw/zinc/20/53/70/1079205370.db2.gz OREDEZXDUJBEEJ-LBPRGKRZSA-N 1 1 413.452 0.708 20 5 HCBDMO CC[N@H+]1CCC[C@H]1CNC(=S)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000921143212 1079231435 /nfs/dbraw/zinc/23/14/35/1079231435.db2.gz KCWBTNLEYODVOL-AWEZNQCLSA-N 1 1 415.541 0.822 20 5 HCBDMO CC[N@H+]1CCC[C@@H]1CNC(=S)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000921143214 1079231351 /nfs/dbraw/zinc/23/13/51/1079231351.db2.gz KCWBTNLEYODVOL-CQSZACIVSA-N 1 1 415.541 0.822 20 5 HCBDMO CCOC(=O)C(C(=O)OCC)c1nc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164669953 719490763 /nfs/dbraw/zinc/49/07/63/719490763.db2.gz WEMWJJZDDOXTRS-KBPBESRZSA-N 1 1 422.438 0.719 20 5 HCBDMO CCOC(=O)C(C(=O)OCC)c1nc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC001164669966 719491040 /nfs/dbraw/zinc/49/10/40/719491040.db2.gz WEMWJJZDDOXTRS-KGLIPLIRSA-N 1 1 422.438 0.719 20 5 HCBDMO CCOC(=O)C(C(=O)OCC)c1nc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164669970 719491823 /nfs/dbraw/zinc/49/18/23/719491823.db2.gz WEMWJJZDDOXTRS-UONOGXRCSA-N 1 1 422.438 0.719 20 5 HCBDMO CCOC(=O)C(C(=O)OCC)c1nc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164669976 719491276 /nfs/dbraw/zinc/49/12/76/719491276.db2.gz WEMWJJZDDOXTRS-ZIAGYGMSSA-N 1 1 422.438 0.719 20 5 HCBDMO C[NH+](C)/C=C\c1cc(N2CCn3c(CN4CCOCC4)nnc3C2)ncc1[N+](=O)[O-] ZINC001164679885 719584948 /nfs/dbraw/zinc/58/49/48/719584948.db2.gz JDALNZYSDNWPMG-ARJAWSKDSA-N 1 1 414.470 0.966 20 5 HCBDMO C[NH+](C)/C=C/c1cc(N2CCn3c(CN4CCOCC4)nnc3C2)ncc1[N+](=O)[O-] ZINC001164679886 719584792 /nfs/dbraw/zinc/58/47/92/719584792.db2.gz JDALNZYSDNWPMG-ONEGZZNKSA-N 1 1 414.470 0.966 20 5 HCBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-])CC2 ZINC001164690262 719755480 /nfs/dbraw/zinc/75/54/80/719755480.db2.gz XIZYEVKPVHWYON-UHFFFAOYSA-N 1 1 405.459 0.832 20 5 HCBDMO COc1nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164740090 720694192 /nfs/dbraw/zinc/69/41/92/720694192.db2.gz PWPLGFHZUZGTER-NEPJUHHUSA-N 1 1 403.399 0.534 20 5 HCBDMO COc1nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164740091 720693054 /nfs/dbraw/zinc/69/30/54/720693054.db2.gz PWPLGFHZUZGTER-NWDGAFQWSA-N 1 1 403.399 0.534 20 5 HCBDMO COc1nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164740092 720692863 /nfs/dbraw/zinc/69/28/63/720692863.db2.gz PWPLGFHZUZGTER-RYUDHWBXSA-N 1 1 403.399 0.534 20 5 HCBDMO COc1nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164740093 720693613 /nfs/dbraw/zinc/69/36/13/720693613.db2.gz PWPLGFHZUZGTER-VXGBXAGGSA-N 1 1 403.399 0.534 20 5 HCBDMO COC(=O)c1ccnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164740503 720711885 /nfs/dbraw/zinc/71/18/85/720711885.db2.gz QRMUYUZAFCDVPK-CHWSQXEVSA-N 1 1 400.395 0.908 20 5 HCBDMO COC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164740506 720712624 /nfs/dbraw/zinc/71/26/24/720712624.db2.gz QRMUYUZAFCDVPK-OLZOCXBDSA-N 1 1 400.395 0.908 20 5 HCBDMO COC(=O)c1ccnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164740510 720712064 /nfs/dbraw/zinc/71/20/64/720712064.db2.gz QRMUYUZAFCDVPK-QWHCGFSZSA-N 1 1 400.395 0.908 20 5 HCBDMO COC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164740513 720711370 /nfs/dbraw/zinc/71/13/70/720711370.db2.gz QRMUYUZAFCDVPK-STQMWFEESA-N 1 1 400.395 0.908 20 5 HCBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164741626 720802746 /nfs/dbraw/zinc/80/27/46/720802746.db2.gz BONBWSDWXJBNTM-KBPBESRZSA-N 1 1 414.426 0.784 20 5 HCBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164741630 720803141 /nfs/dbraw/zinc/80/31/41/720803141.db2.gz BONBWSDWXJBNTM-KGLIPLIRSA-N 1 1 414.426 0.784 20 5 HCBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164741634 720803135 /nfs/dbraw/zinc/80/31/35/720803135.db2.gz BONBWSDWXJBNTM-UONOGXRCSA-N 1 1 414.426 0.784 20 5 HCBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164741636 720803677 /nfs/dbraw/zinc/80/36/77/720803677.db2.gz BONBWSDWXJBNTM-ZIAGYGMSSA-N 1 1 414.426 0.784 20 5 HCBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742439 720628306 /nfs/dbraw/zinc/62/83/06/720628306.db2.gz NHJHTODKCSOWAF-KBPBESRZSA-N 1 1 400.395 0.908 20 5 HCBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742441 720627621 /nfs/dbraw/zinc/62/76/21/720627621.db2.gz NHJHTODKCSOWAF-KGLIPLIRSA-N 1 1 400.395 0.908 20 5 HCBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742442 720626887 /nfs/dbraw/zinc/62/68/87/720626887.db2.gz NHJHTODKCSOWAF-UONOGXRCSA-N 1 1 400.395 0.908 20 5 HCBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742444 720629397 /nfs/dbraw/zinc/62/93/97/720629397.db2.gz NHJHTODKCSOWAF-ZIAGYGMSSA-N 1 1 400.395 0.908 20 5 HCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164744934 720805282 /nfs/dbraw/zinc/80/52/82/720805282.db2.gz JWOVXJXTQRAHBW-CHWSQXEVSA-N 1 1 400.395 0.908 20 5 HCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164744935 720804795 /nfs/dbraw/zinc/80/47/95/720804795.db2.gz JWOVXJXTQRAHBW-OLZOCXBDSA-N 1 1 400.395 0.908 20 5 HCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164744936 720804938 /nfs/dbraw/zinc/80/49/38/720804938.db2.gz JWOVXJXTQRAHBW-QWHCGFSZSA-N 1 1 400.395 0.908 20 5 HCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164744937 720805401 /nfs/dbraw/zinc/80/54/01/720805401.db2.gz JWOVXJXTQRAHBW-STQMWFEESA-N 1 1 400.395 0.908 20 5 HCBDMO CN1CCN(Cc2cn3c(n2)CN(c2ncc([N+](=O)[O-])c(C4C[NH2+]C4)n2)CC3)CC1 ZINC001164795327 721523617 /nfs/dbraw/zinc/52/36/17/721523617.db2.gz MSVXLGAGDLHXLT-UHFFFAOYSA-N 1 1 413.486 0.036 20 5 HCBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(NC(C)=O)nc(C)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164865262 720889529 /nfs/dbraw/zinc/88/95/29/720889529.db2.gz ZKKUGXHLBNQJCW-CABCVRRESA-N 1 1 408.459 0.825 20 5 HCBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(NC(C)=O)nc(C)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164865263 720889354 /nfs/dbraw/zinc/88/93/54/720889354.db2.gz ZKKUGXHLBNQJCW-GJZGRUSLSA-N 1 1 408.459 0.825 20 5 HCBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(NC(C)=O)nc(C)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164865264 720889340 /nfs/dbraw/zinc/88/93/40/720889340.db2.gz ZKKUGXHLBNQJCW-HUUCEWRRSA-N 1 1 408.459 0.825 20 5 HCBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(NC(C)=O)nc(C)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164865265 720889581 /nfs/dbraw/zinc/88/95/81/720889581.db2.gz ZKKUGXHLBNQJCW-LSDHHAIUSA-N 1 1 408.459 0.825 20 5 HCBDMO O=[N+]([O-])c1cnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1C1C[NH2+]C1 ZINC001164868305 721198286 /nfs/dbraw/zinc/19/82/86/721198286.db2.gz MIBYSJSQEXCWCA-DLBZAZTESA-N 1 1 411.466 0.946 20 5 HCBDMO O=[N+]([O-])c1cnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001164868306 721197768 /nfs/dbraw/zinc/19/77/68/721197768.db2.gz MIBYSJSQEXCWCA-IAGOWNOFSA-N 1 1 411.466 0.946 20 5 HCBDMO O=[N+]([O-])c1cnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1C1C[NH2+]C1 ZINC001164868307 721196802 /nfs/dbraw/zinc/19/68/02/721196802.db2.gz MIBYSJSQEXCWCA-IRXDYDNUSA-N 1 1 411.466 0.946 20 5 HCBDMO O=[N+]([O-])c1cnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001164868308 721198274 /nfs/dbraw/zinc/19/82/74/721198274.db2.gz MIBYSJSQEXCWCA-SJORKVTESA-N 1 1 411.466 0.946 20 5 HCBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001164868522 721272506 /nfs/dbraw/zinc/27/25/06/721272506.db2.gz AHMGFMDIBFFENB-UHFFFAOYSA-N 1 1 422.486 0.709 20 5 HCBDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)C1 ZINC001164868543 721268734 /nfs/dbraw/zinc/26/87/34/721268734.db2.gz BCMLGOJLOSFIBF-UHFFFAOYSA-N 1 1 422.442 0.905 20 5 HCBDMO COc1ncnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1[N+](=O)[O-] ZINC001164870388 721273140 /nfs/dbraw/zinc/27/31/40/721273140.db2.gz XLXWEZPJQPPXRY-UHFFFAOYSA-N 1 1 408.459 0.400 20 5 HCBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164872444 721278931 /nfs/dbraw/zinc/27/89/31/721278931.db2.gz CXHUYFFQPSSMKZ-UHFFFAOYSA-N 1 1 407.471 0.544 20 5 HCBDMO COc1nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)ncc1[N+](=O)[O-] ZINC001164873258 721260507 /nfs/dbraw/zinc/26/05/07/721260507.db2.gz HGNQDBYNQUXWOP-UHFFFAOYSA-N 1 1 408.459 0.400 20 5 HCBDMO COc1nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)ncc1[N+](=O)[O-] ZINC001164996023 722229144 /nfs/dbraw/zinc/22/91/44/722229144.db2.gz AQNSUVYFZBCCIS-UHFFFAOYSA-N 1 1 400.443 0.540 20 5 HCBDMO COc1ncnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1[N+](=O)[O-] ZINC001164996300 722233289 /nfs/dbraw/zinc/23/32/89/722233289.db2.gz BGLHPJWEWTUMFO-UHFFFAOYSA-N 1 1 400.443 0.540 20 5 HCBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001164997598 722233380 /nfs/dbraw/zinc/23/33/80/722233380.db2.gz RSUMYXKMTILBLI-UHFFFAOYSA-N 1 1 414.470 0.849 20 5 HCBDMO CN(C)C(=O)CN1CCC2(CCCN2c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001165013282 721750413 /nfs/dbraw/zinc/75/04/13/721750413.db2.gz WRMSZVRQEUAIMW-UHFFFAOYSA-N 1 1 403.487 0.595 20 5 HCBDMO COC(=O)C(C(=O)OC)c1ncc(NCC2([NH+]3CCCC3)COC2)cc1[N+](=O)[O-] ZINC001168444508 1077292707 /nfs/dbraw/zinc/29/27/07/1077292707.db2.gz JGTFUTNTXWJOHR-UHFFFAOYSA-N 1 1 408.411 0.696 20 5 HCBDMO CC(C)C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001212454028 1080598256 /nfs/dbraw/zinc/59/82/56/1080598256.db2.gz WYXWTRLWHGJYOI-OLZOCXBDSA-N 1 1 416.504 0.184 20 5 HCBDMO CC(C)C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001212454031 1080598215 /nfs/dbraw/zinc/59/82/15/1080598215.db2.gz WYXWTRLWHGJYOI-STQMWFEESA-N 1 1 416.504 0.184 20 5 HCBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC001212460966 1080662759 /nfs/dbraw/zinc/66/27/59/1080662759.db2.gz SPUXRBAVVGQDSC-UHFFFAOYSA-N 1 1 416.456 0.022 20 5 HCBDMO CN(C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCOCC1 ZINC001299254834 1079259404 /nfs/dbraw/zinc/25/94/04/1079259404.db2.gz KKHIHLZBMSGEBQ-UHFFFAOYSA-N 1 1 414.484 0.442 20 5 HCBDMO COCC[N@@H+](C)CCN1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC001670969923 1080047689 /nfs/dbraw/zinc/04/76/89/1080047689.db2.gz RRGHELDFBSUSTC-AWEZNQCLSA-N 1 1 414.484 0.361 20 5 HCBDMO COCC[N@@H+](C)CCN1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC001670969924 1080047655 /nfs/dbraw/zinc/04/76/55/1080047655.db2.gz RRGHELDFBSUSTC-CQSZACIVSA-N 1 1 414.484 0.361 20 5 HCBDMO