smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2ccc(NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cn2)CC1 ZINC000030030919 1077255624 /nfs/dbraw/zinc/25/56/24/1077255624.db2.gz UIARJDZTMAHHNJ-UHFFFAOYSA-N 1 0 424.417 0.976 20 5 HCBDRO CN1CC[NH+](CCCCNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000031152424 1077325741 /nfs/dbraw/zinc/32/57/41/1077325741.db2.gz GYQQSNISCDKXEP-UHFFFAOYSA-N 1 0 405.503 0.849 20 5 HCBDRO NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1=O ZINC000031812170 1077470348 /nfs/dbraw/zinc/47/03/48/1077470348.db2.gz XSYOIVVRYXZSAS-UHFFFAOYSA-N 1 0 421.454 0.007 20 5 HCBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000032268659 1077822717 /nfs/dbraw/zinc/82/27/17/1077822717.db2.gz YYIJMPQAMLUGSZ-HNNXBMFYSA-N 1 0 406.439 0.793 20 5 HCBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000032268660 1077822785 /nfs/dbraw/zinc/82/27/85/1077822785.db2.gz YYIJMPQAMLUGSZ-OAHLLOKOSA-N 1 0 406.439 0.793 20 5 HCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCN(CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC000060874939 1073453632 /nfs/dbraw/zinc/45/36/32/1073453632.db2.gz FNLJTPJKBZRXCG-UHFFFAOYSA-N 1 0 421.470 0.822 20 5 HCBDRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000062503616 1074152206 /nfs/dbraw/zinc/15/22/06/1074152206.db2.gz FLCMSGXTHNAKIX-AWEZNQCLSA-N 1 0 413.500 0.951 20 5 HCBDRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000062506839 1074151688 /nfs/dbraw/zinc/15/16/88/1074151688.db2.gz PXRJCEVVIBITRC-AWEZNQCLSA-N 1 0 413.500 0.951 20 5 HCBDRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000062506920 1074151640 /nfs/dbraw/zinc/15/16/40/1074151640.db2.gz WUBDNKQPFAEABD-AWEZNQCLSA-N 1 0 413.500 0.951 20 5 HCBDRO Cc1c(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000062644456 1074193485 /nfs/dbraw/zinc/19/34/85/1074193485.db2.gz JXZAFIUEWCOIBU-UHFFFAOYSA-N 1 0 405.455 0.758 20 5 HCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000062644522 1074193380 /nfs/dbraw/zinc/19/33/80/1074193380.db2.gz NPWNRESNAFKZDP-UHFFFAOYSA-N 1 0 421.454 0.458 20 5 HCBDRO Cc1ccc(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000062644538 1074193403 /nfs/dbraw/zinc/19/34/03/1074193403.db2.gz ZFRRRTPYZDVDSK-UHFFFAOYSA-N 1 0 405.455 0.758 20 5 HCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000062644539 1074193601 /nfs/dbraw/zinc/19/36/01/1074193601.db2.gz FGHJXNDFNUNCHE-UHFFFAOYSA-N 1 0 405.455 0.758 20 5 HCBDRO C[NH+]1CCN(CCCNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000063653742 1074399968 /nfs/dbraw/zinc/39/99/68/1074399968.db2.gz FOEKXGGXWNPFCJ-UHFFFAOYSA-N 1 0 413.500 0.017 20 5 HCBDRO CCC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000063761946 1074429994 /nfs/dbraw/zinc/42/99/94/1074429994.db2.gz RVCVJZRAGDFXPM-UHFFFAOYSA-N 1 0 414.484 0.778 20 5 HCBDRO CN1CC[NH+](CCCCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000106156783 1080119993 /nfs/dbraw/zinc/11/99/93/1080119993.db2.gz QCKSPYYUYSAJSN-UHFFFAOYSA-N 1 0 405.455 0.464 20 5 HCBDRO CN1CCN(S(=O)(=O)c2ccc(N3CC[C@@H](C[NH+](C)C)C3)c([N+](=O)[O-])c2)CC1 ZINC000301243143 1078636384 /nfs/dbraw/zinc/63/63/84/1078636384.db2.gz GSWIZVDIYPKORZ-HNNXBMFYSA-N 1 0 411.528 0.919 20 5 HCBDRO CN1CCN(S(=O)(=O)c2ccc(N3CC[C@H](C[NH+](C)C)C3)c([N+](=O)[O-])c2)CC1 ZINC000301243146 1078644941 /nfs/dbraw/zinc/64/49/41/1078644941.db2.gz GSWIZVDIYPKORZ-OAHLLOKOSA-N 1 0 411.528 0.919 20 5 HCBDRO CN1CCN(S(=O)(=O)c2ccc(N3CC[C@@H]([NH+]4CC=CC4)C3)c([N+](=O)[O-])c2)CC1 ZINC000301471431 1080096457 /nfs/dbraw/zinc/09/64/57/1080096457.db2.gz TUKHKCOQRZJALV-MRXNPFEDSA-N 1 0 421.523 0.981 20 5 HCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428809488 1075698596 /nfs/dbraw/zinc/69/85/96/1075698596.db2.gz QDMBSWTYLXLOAY-CYBMUJFWSA-N 1 0 400.457 0.898 20 5 HCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428809489 1075698457 /nfs/dbraw/zinc/69/84/57/1075698457.db2.gz QDMBSWTYLXLOAY-ZDUSSCGKSA-N 1 0 400.457 0.898 20 5 HCBDRO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@H](C)CO ZINC000428859088 1081281030 /nfs/dbraw/zinc/28/10/30/1081281030.db2.gz CBEGDVIBSSBLJB-CQSZACIVSA-N 1 0 414.484 0.130 20 5 HCBDRO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@H](C)CO ZINC000428864256 1081284362 /nfs/dbraw/zinc/28/43/62/1081284362.db2.gz SIMFUTINNJJHII-CQSZACIVSA-N 1 0 414.484 0.130 20 5 HCBDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000428984244 1081360659 /nfs/dbraw/zinc/36/06/59/1081360659.db2.gz ROKABSFDVDKJSS-FQEVSTJZSA-N 1 0 400.435 0.852 20 5 HCBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000428984249 1081360599 /nfs/dbraw/zinc/36/05/99/1081360599.db2.gz ROKABSFDVDKJSS-HXUWFJFHSA-N 1 0 400.435 0.852 20 5 HCBDRO C[N@@H+]1CCN(CCNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000442961350 1075329452 /nfs/dbraw/zinc/32/94/52/1075329452.db2.gz FBCANMQDHDRSMJ-UHFFFAOYSA-N 1 0 409.512 0.928 20 5 HCBDRO C[N@@H+]1CCN(CCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000442976371 1075338861 /nfs/dbraw/zinc/33/88/61/1075338861.db2.gz TYNBRZHFXZTKNB-UHFFFAOYSA-N 1 0 406.487 0.536 20 5 HCBDRO C[N@@H+]1CCN(CCNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(C)C ZINC000443077779 1075375828 /nfs/dbraw/zinc/37/58/28/1075375828.db2.gz KAZNDZKKGVGUFJ-UHFFFAOYSA-N 1 0 414.484 0.670 20 5 HCBDRO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCCC[NH+]1CCC(O)CC1)OCCO2 ZINC000443147548 1075415476 /nfs/dbraw/zinc/41/54/76/1075415476.db2.gz PUHZWWMPDNBACA-UHFFFAOYSA-N 1 0 401.441 0.491 20 5 HCBDRO CCOC(=O)c1cc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)cc([N+](=O)[O-])c1C ZINC000443240067 1075503941 /nfs/dbraw/zinc/50/39/41/1075503941.db2.gz JBZZOKZQOVBLCZ-UHFFFAOYSA-N 1 0 415.468 0.815 20 5 HCBDRO Cc1ccc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000443259220 1075543424 /nfs/dbraw/zinc/54/34/24/1075543424.db2.gz ZEFSSLSBGMLARB-UHFFFAOYSA-N 1 0 400.501 0.572 20 5 HCBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000443259278 1075543472 /nfs/dbraw/zinc/54/34/72/1075543472.db2.gz ZSAYRNBQKOROHZ-UHFFFAOYSA-N 1 0 400.501 0.572 20 5 HCBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)c1C ZINC000443260449 1075545139 /nfs/dbraw/zinc/54/51/39/1075545139.db2.gz DDBGJXSMKAQXAH-UHFFFAOYSA-N 1 0 414.528 0.880 20 5 HCBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000443261652 1075544204 /nfs/dbraw/zinc/54/42/04/1075544204.db2.gz LBOIBVBCCSYFSX-UHFFFAOYSA-N 1 0 414.528 0.826 20 5 HCBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000443263779 1075543359 /nfs/dbraw/zinc/54/33/59/1075543359.db2.gz PLTZMHLMXKEKLV-UHFFFAOYSA-N 1 0 416.500 0.272 20 5 HCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000443267537 1075549243 /nfs/dbraw/zinc/54/92/43/1075549243.db2.gz ANWHHPIXWCKYRB-UHFFFAOYSA-N 1 0 400.501 0.572 20 5 HCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)c(F)c1 ZINC000443267542 1075549308 /nfs/dbraw/zinc/54/93/08/1075549308.db2.gz DOBIGPZDGGWUIW-UHFFFAOYSA-N 1 0 404.464 0.402 20 5 HCBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)c1C ZINC000443268435 1075549578 /nfs/dbraw/zinc/54/95/78/1075549578.db2.gz KLKIYLLWODYKSC-UHFFFAOYSA-N 1 0 414.528 0.880 20 5 HCBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000443268677 1075549596 /nfs/dbraw/zinc/54/95/96/1075549596.db2.gz IGMQONYMKCWATD-UHFFFAOYSA-N 1 0 414.528 0.880 20 5 HCBDRO COc1cc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000443268980 1075553538 /nfs/dbraw/zinc/55/35/38/1075553538.db2.gz CBTMBAZDEQDTDK-UHFFFAOYSA-N 1 0 416.500 0.272 20 5 HCBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000443269863 1075549679 /nfs/dbraw/zinc/54/96/79/1075549679.db2.gz CHZVPOSQEVEQOU-UHFFFAOYSA-N 1 0 420.919 0.917 20 5 HCBDRO COc1ccc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000443270396 1075553492 /nfs/dbraw/zinc/55/34/92/1075553492.db2.gz IEBRFTRJPLCNMB-UHFFFAOYSA-N 1 0 416.500 0.272 20 5 HCBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)cc1 ZINC000443271885 1075553461 /nfs/dbraw/zinc/55/34/61/1075553461.db2.gz ZGQKSZDCXIPIPL-UHFFFAOYSA-N 1 0 400.501 0.404 20 5 HCBDRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000443274557 1075562143 /nfs/dbraw/zinc/56/21/43/1075562143.db2.gz UGRDFZSOJJIODL-UHFFFAOYSA-N 1 0 415.468 0.833 20 5 HCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000443275040 1075561486 /nfs/dbraw/zinc/56/14/86/1075561486.db2.gz OLWMUGSEFSWGMJ-UHFFFAOYSA-N 1 0 416.500 0.272 20 5 HCBDRO COc1ccc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000443275322 1075561871 /nfs/dbraw/zinc/56/18/71/1075561871.db2.gz XPQQQCPFPOOQNU-UHFFFAOYSA-N 1 0 416.500 0.272 20 5 HCBDRO Cc1ccc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000443275565 1075555871 /nfs/dbraw/zinc/55/58/71/1075555871.db2.gz PVBLDKKFDPOBIP-UHFFFAOYSA-N 1 0 400.501 0.572 20 5 HCBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000443279703 1075560785 /nfs/dbraw/zinc/56/07/85/1075560785.db2.gz ZTEOLRDYALVLDB-UHFFFAOYSA-N 1 0 400.501 0.572 20 5 HCBDRO Cc1cc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000443290564 1075577127 /nfs/dbraw/zinc/57/71/27/1075577127.db2.gz YRHQLPDYAAUJJE-UHFFFAOYSA-N 1 0 400.501 0.572 20 5 HCBDRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000443296251 1075585252 /nfs/dbraw/zinc/58/52/52/1075585252.db2.gz CMOSUNATEGCQJT-CYBMUJFWSA-N 1 0 415.468 0.737 20 5 HCBDRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000443296255 1075585720 /nfs/dbraw/zinc/58/57/20/1075585720.db2.gz CMOSUNATEGCQJT-ZDUSSCGKSA-N 1 0 415.468 0.737 20 5 HCBDRO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCC1CC[NH+](CCO)CC1)OCCO2 ZINC000443302966 1075585304 /nfs/dbraw/zinc/58/53/04/1075585304.db2.gz QKZAATUYZMPOBW-UHFFFAOYSA-N 1 0 401.441 0.349 20 5 HCBDRO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCCCC[N@H+]1CCC[C@@H]1CO)OCCO2 ZINC000443312237 1075602742 /nfs/dbraw/zinc/60/27/42/1075602742.db2.gz ZYTZHYXYVHIPFN-CYBMUJFWSA-N 1 0 415.468 0.881 20 5 HCBDRO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCCCC[N@H+]1CCC[C@H]1CO)OCCO2 ZINC000443312238 1075603600 /nfs/dbraw/zinc/60/36/00/1075603600.db2.gz ZYTZHYXYVHIPFN-ZDUSSCGKSA-N 1 0 415.468 0.881 20 5 HCBDRO C[C@H](Cn1cncn1)Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000443432148 1075818531 /nfs/dbraw/zinc/81/85/31/1075818531.db2.gz CRGCKTNMDWEBNA-CYBMUJFWSA-N 1 0 411.488 0.917 20 5 HCBDRO C[C@@H]1CC[C@@H](C(N)=O)CN1c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000443437374 1075822268 /nfs/dbraw/zinc/82/22/68/1075822268.db2.gz BGYWRTKEUGNZRW-CHWSQXEVSA-N 1 0 413.500 0.525 20 5 HCBDRO C[C@@H]1CC[C@H](C(N)=O)CN1c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000443437376 1075821847 /nfs/dbraw/zinc/82/18/47/1075821847.db2.gz BGYWRTKEUGNZRW-OLZOCXBDSA-N 1 0 413.500 0.525 20 5 HCBDRO C[C@H]1CC[C@@H](C(N)=O)CN1c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000443437378 1075823016 /nfs/dbraw/zinc/82/30/16/1075823016.db2.gz BGYWRTKEUGNZRW-QWHCGFSZSA-N 1 0 413.500 0.525 20 5 HCBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000443482184 1075857196 /nfs/dbraw/zinc/85/71/96/1075857196.db2.gz HJIDNOLNGSKCFH-KBPBESRZSA-N 1 0 413.500 0.855 20 5 HCBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000443482186 1075854632 /nfs/dbraw/zinc/85/46/32/1075854632.db2.gz HJIDNOLNGSKCFH-KGLIPLIRSA-N 1 0 413.500 0.855 20 5 HCBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000443482188 1075856439 /nfs/dbraw/zinc/85/64/39/1075856439.db2.gz HJIDNOLNGSKCFH-UONOGXRCSA-N 1 0 413.500 0.855 20 5 HCBDRO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443805953 1077259131 /nfs/dbraw/zinc/25/91/31/1077259131.db2.gz NMLKLIUXXJCAAK-AWEZNQCLSA-N 1 0 416.434 0.904 20 5 HCBDRO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443805954 1077259082 /nfs/dbraw/zinc/25/90/82/1077259082.db2.gz NMLKLIUXXJCAAK-CQSZACIVSA-N 1 0 416.434 0.904 20 5 HCBDRO C[NH+](C)CCN1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CC1 ZINC000443915174 1077289780 /nfs/dbraw/zinc/28/97/80/1077289780.db2.gz IYSUOCSZXTUNFR-UHFFFAOYSA-N 1 0 403.439 0.568 20 5 HCBDRO CCOC1CC(O)(CNc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000443957566 1077298036 /nfs/dbraw/zinc/29/80/36/1077298036.db2.gz DFMITBTWSRANGK-UHFFFAOYSA-N 1 0 416.500 0.777 20 5 HCBDRO CN(CC1(O)CCOCC1)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000443987130 1077308809 /nfs/dbraw/zinc/30/88/09/1077308809.db2.gz JQKPXOHEEDBCEL-UHFFFAOYSA-N 1 0 416.500 0.412 20 5 HCBDRO COCCO[C@H]1CCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000443994374 1077308670 /nfs/dbraw/zinc/30/86/70/1077308670.db2.gz OQYUXCHGSFDQRE-AWEZNQCLSA-N 1 0 416.500 0.676 20 5 HCBDRO COCCO[C@@H]1CCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000443994375 1077308789 /nfs/dbraw/zinc/30/87/89/1077308789.db2.gz OQYUXCHGSFDQRE-CQSZACIVSA-N 1 0 416.500 0.676 20 5 HCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N(CCO)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000443994993 1077312517 /nfs/dbraw/zinc/31/25/17/1077312517.db2.gz MAKWOZHPLJKTFB-UHFFFAOYSA-N 1 0 416.500 0.412 20 5 HCBDRO CN1CCN(C(=O)C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CC1 ZINC000460358982 1075842444 /nfs/dbraw/zinc/84/24/44/1075842444.db2.gz YQANPYGYCQOIHN-UHFFFAOYSA-N 1 0 401.471 0.757 20 5 HCBDRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000462746385 1075510489 /nfs/dbraw/zinc/51/04/89/1075510489.db2.gz SWJHDZPEAJGUQG-UHFFFAOYSA-N 1 0 410.456 0.660 20 5 HCBDRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000462747154 1075510004 /nfs/dbraw/zinc/51/00/04/1075510004.db2.gz YENKIWDOWXXWJL-UHFFFAOYSA-N 1 0 408.440 0.664 20 5 HCBDRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000462753213 1075507800 /nfs/dbraw/zinc/50/78/00/1075507800.db2.gz KECXYVZWRGGAKB-UHFFFAOYSA-N 1 0 423.451 0.235 20 5 HCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462756490 1075515085 /nfs/dbraw/zinc/51/50/85/1075515085.db2.gz NPTRRQAZDFMODD-UHFFFAOYSA-N 1 0 410.456 0.578 20 5 HCBDRO Cc1nn(C)c(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000462759277 1075516228 /nfs/dbraw/zinc/51/62/28/1075516228.db2.gz YTJFOLUSCKGSNI-UHFFFAOYSA-N 1 0 410.456 0.729 20 5 HCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462761006 1075511717 /nfs/dbraw/zinc/51/17/17/1075511717.db2.gz HCUNBLAGDUJMLJ-UHFFFAOYSA-N 1 0 424.483 0.968 20 5 HCBDRO CC(C)NC(=O)CN(C)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000462793502 1075523097 /nfs/dbraw/zinc/52/30/97/1075523097.db2.gz QDOIYEZORCQLSG-UHFFFAOYSA-N 1 0 401.489 0.396 20 5 HCBDRO COC[C@H]1CN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CCO1 ZINC000462869471 1075543280 /nfs/dbraw/zinc/54/32/80/1075543280.db2.gz BPNPQGPYMQIJJK-CYBMUJFWSA-N 1 0 402.473 0.286 20 5 HCBDRO COC[C@@H]1CN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CCO1 ZINC000462869472 1075543031 /nfs/dbraw/zinc/54/30/31/1075543031.db2.gz BPNPQGPYMQIJJK-ZDUSSCGKSA-N 1 0 402.473 0.286 20 5 HCBDRO COC[C@@H]1CN(c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])CCO1 ZINC000462878942 1075547229 /nfs/dbraw/zinc/54/72/29/1075547229.db2.gz VEUIZKFWGLYTHW-AWEZNQCLSA-N 1 0 416.500 0.676 20 5 HCBDRO COC[C@H]1CN(c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])CCO1 ZINC000462878943 1075547731 /nfs/dbraw/zinc/54/77/31/1075547731.db2.gz VEUIZKFWGLYTHW-CQSZACIVSA-N 1 0 416.500 0.676 20 5 HCBDRO COCCC[N@H+](C)CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000462890601 1075549651 /nfs/dbraw/zinc/54/96/51/1075549651.db2.gz OJZSZDARYKZKPP-UHFFFAOYSA-N 1 0 416.500 0.996 20 5 HCBDRO COCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000462893302 1075550218 /nfs/dbraw/zinc/55/02/18/1075550218.db2.gz YNGKRPPDRLBCAK-UHFFFAOYSA-N 1 0 416.500 0.996 20 5 HCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000462894898 1075551368 /nfs/dbraw/zinc/55/13/68/1075551368.db2.gz JZCYABRNGMFGMM-HNNXBMFYSA-N 1 0 409.512 0.885 20 5 HCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000462894899 1075551241 /nfs/dbraw/zinc/55/12/41/1075551241.db2.gz JZCYABRNGMFGMM-OAHLLOKOSA-N 1 0 409.512 0.885 20 5 HCBDRO CC[C@H](CO)[NH+]1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000462934665 1075562160 /nfs/dbraw/zinc/56/21/60/1075562160.db2.gz HRCZOPNZLDGZTD-DZGCQCFKSA-N 1 0 408.455 0.779 20 5 HCBDRO CC[C@@H](CO)[NH+]1CCN(c2ccc(C(=O)N[C@H](C)C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000462934666 1080430003 /nfs/dbraw/zinc/43/00/03/1080430003.db2.gz HRCZOPNZLDGZTD-HIFRSBDPSA-N 1 0 408.455 0.779 20 5 HCBDRO CC[C@H](CO)[NH+]1CCN(c2ccc(C(=O)N[C@H](C)C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000462934667 1080430244 /nfs/dbraw/zinc/43/02/44/1080430244.db2.gz HRCZOPNZLDGZTD-UKRRQHHQSA-N 1 0 408.455 0.779 20 5 HCBDRO CC[C@@H](CO)[NH+]1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000462934668 1075562132 /nfs/dbraw/zinc/56/21/32/1075562132.db2.gz HRCZOPNZLDGZTD-ZFWWWQNUSA-N 1 0 408.455 0.779 20 5 HCBDRO COC(=O)[C@H]1CCCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000462943140 1075560869 /nfs/dbraw/zinc/56/08/69/1075560869.db2.gz VJRAAYJFIVZOPR-ZDUSSCGKSA-N 1 0 414.484 0.824 20 5 HCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000463079065 1075590510 /nfs/dbraw/zinc/59/05/10/1075590510.db2.gz WXRYPDUIXZLCEW-UHFFFAOYSA-N 1 0 412.512 0.932 20 5 HCBDRO CS(=O)(=O)c1ccc(N2CCN(CC[N@@H+]3CCCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000463091190 1075592406 /nfs/dbraw/zinc/59/24/06/1075592406.db2.gz ZPRCJFLQNORXOD-UHFFFAOYSA-N 1 0 412.512 0.843 20 5 HCBDRO CNS(=O)(=O)NC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000463194228 1075640474 /nfs/dbraw/zinc/64/04/74/1075640474.db2.gz QDOPQGVOOFEFSV-UHFFFAOYSA-N 1 0 415.472 0.450 20 5 HCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCNS(C)(=O)=O)C1CC1 ZINC000463196701 1075641714 /nfs/dbraw/zinc/64/17/14/1075641714.db2.gz MDTJETDHJCMVTK-UHFFFAOYSA-N 1 0 400.457 0.946 20 5 HCBDRO CNS(=O)(=O)NC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000463208749 1075650326 /nfs/dbraw/zinc/65/03/26/1075650326.db2.gz GPFWUSAGJVZVFD-UHFFFAOYSA-N 1 0 415.472 0.450 20 5 HCBDRO CNS(=O)(=O)NC1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000463215747 1075663985 /nfs/dbraw/zinc/66/39/85/1075663985.db2.gz RHZYAWINEWBGAH-UHFFFAOYSA-N 1 0 413.456 0.411 20 5 HCBDRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000463671959 1075791263 /nfs/dbraw/zinc/79/12/63/1075791263.db2.gz ZMMRIOTUNKNCFZ-UHFFFAOYSA-N 1 0 407.452 0.538 20 5 HCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000464022174 1075853477 /nfs/dbraw/zinc/85/34/77/1075853477.db2.gz KOUJHVWBUXZRIM-AWEZNQCLSA-N 1 0 405.455 0.854 20 5 HCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000464022175 1075853466 /nfs/dbraw/zinc/85/34/66/1075853466.db2.gz KOUJHVWBUXZRIM-CQSZACIVSA-N 1 0 405.455 0.854 20 5 HCBDRO CN(CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)c1ccccc1[N+](=O)[O-] ZINC000464023670 1075853823 /nfs/dbraw/zinc/85/38/23/1075853823.db2.gz NIXGWPDUYMQYBT-UHFFFAOYSA-N 1 0 403.443 0.544 20 5 HCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000464029205 1075852151 /nfs/dbraw/zinc/85/21/51/1075852151.db2.gz LUIJIBNJCISHRP-INIZCTEOSA-N 1 0 417.466 0.915 20 5 HCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000464029221 1075852095 /nfs/dbraw/zinc/85/20/95/1075852095.db2.gz LUIJIBNJCISHRP-MRXNPFEDSA-N 1 0 417.466 0.915 20 5 HCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000464029587 1075852311 /nfs/dbraw/zinc/85/23/11/1075852311.db2.gz GITOIOMMZRWJHP-UHFFFAOYSA-N 1 0 417.466 0.917 20 5 HCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000464032171 1075852485 /nfs/dbraw/zinc/85/24/85/1075852485.db2.gz NEJPSKZNLBXUFK-UHFFFAOYSA-N 1 0 421.498 0.656 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000465738643 1080290743 /nfs/dbraw/zinc/29/07/43/1080290743.db2.gz PILRFBKVQLABQQ-HNNXBMFYSA-N 1 0 409.468 0.529 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000465738644 1080290810 /nfs/dbraw/zinc/29/08/10/1080290810.db2.gz PILRFBKVQLABQQ-OAHLLOKOSA-N 1 0 409.468 0.529 20 5 HCBDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000465740720 1080294984 /nfs/dbraw/zinc/29/49/84/1080294984.db2.gz SKEFZBMSYMOEFU-HNNXBMFYSA-N 1 0 413.500 0.999 20 5 HCBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000465740721 1080295174 /nfs/dbraw/zinc/29/51/74/1080295174.db2.gz SKEFZBMSYMOEFU-OAHLLOKOSA-N 1 0 413.500 0.999 20 5 HCBDRO C[C@H]1C[C@H](N(C)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000465743200 1080296998 /nfs/dbraw/zinc/29/69/98/1080296998.db2.gz PLABMDZMZQCYBB-DZGCQCFKSA-N 1 0 413.500 0.997 20 5 HCBDRO C[C@@H]1C[C@@H](N(C)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000465743201 1080297161 /nfs/dbraw/zinc/29/71/61/1080297161.db2.gz PLABMDZMZQCYBB-HIFRSBDPSA-N 1 0 413.500 0.997 20 5 HCBDRO C[C@@H]1C[C@H](N(C)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000465743202 1080297084 /nfs/dbraw/zinc/29/70/84/1080297084.db2.gz PLABMDZMZQCYBB-UKRRQHHQSA-N 1 0 413.500 0.997 20 5 HCBDRO C[C@H]1C[C@@H](N(C)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000465743203 1080296859 /nfs/dbraw/zinc/29/68/59/1080296859.db2.gz PLABMDZMZQCYBB-ZFWWWQNUSA-N 1 0 413.500 0.997 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000465767633 1080329613 /nfs/dbraw/zinc/32/96/13/1080329613.db2.gz CRJGWZBACRSCCI-HNNXBMFYSA-N 1 0 409.468 0.529 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000465767634 1080329696 /nfs/dbraw/zinc/32/96/96/1080329696.db2.gz CRJGWZBACRSCCI-OAHLLOKOSA-N 1 0 409.468 0.529 20 5 HCBDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000465770698 1080332020 /nfs/dbraw/zinc/33/20/20/1080332020.db2.gz RIJBPTMZWWRCCY-HNNXBMFYSA-N 1 0 413.500 0.999 20 5 HCBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000465770699 1080332195 /nfs/dbraw/zinc/33/21/95/1080332195.db2.gz RIJBPTMZWWRCCY-OAHLLOKOSA-N 1 0 413.500 0.999 20 5 HCBDRO C[C@H]1C[C@@H](N(C)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000465772560 1080333221 /nfs/dbraw/zinc/33/32/21/1080333221.db2.gz XTVNBTXXHSVUPW-KBPBESRZSA-N 1 0 413.500 0.997 20 5 HCBDRO C[C@@H]1C[C@@H](N(C)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000465772561 1080333308 /nfs/dbraw/zinc/33/33/08/1080333308.db2.gz XTVNBTXXHSVUPW-KGLIPLIRSA-N 1 0 413.500 0.997 20 5 HCBDRO C[C@H]1C[C@H](N(C)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000465772562 1080333391 /nfs/dbraw/zinc/33/33/91/1080333391.db2.gz XTVNBTXXHSVUPW-UONOGXRCSA-N 1 0 413.500 0.997 20 5 HCBDRO C[C@@H]1C[C@H](N(C)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000465772563 1080333279 /nfs/dbraw/zinc/33/32/79/1080333279.db2.gz XTVNBTXXHSVUPW-ZIAGYGMSSA-N 1 0 413.500 0.997 20 5 HCBDRO C[C@H]1C[C@@H](N(C)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000465973696 1080609203 /nfs/dbraw/zinc/60/92/03/1080609203.db2.gz RKAIWAYJIKZFFD-KBPBESRZSA-N 1 0 413.500 0.997 20 5 HCBDRO C[C@@H]1C[C@@H](N(C)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000465973697 1080609073 /nfs/dbraw/zinc/60/90/73/1080609073.db2.gz RKAIWAYJIKZFFD-KGLIPLIRSA-N 1 0 413.500 0.997 20 5 HCBDRO C[C@H]1C[C@H](N(C)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000465973698 1080609263 /nfs/dbraw/zinc/60/92/63/1080609263.db2.gz RKAIWAYJIKZFFD-UONOGXRCSA-N 1 0 413.500 0.997 20 5 HCBDRO C[C@@H]1C[C@H](N(C)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000465973699 1080609162 /nfs/dbraw/zinc/60/91/62/1080609162.db2.gz RKAIWAYJIKZFFD-ZIAGYGMSSA-N 1 0 413.500 0.997 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000465992254 1080764061 /nfs/dbraw/zinc/76/40/61/1080764061.db2.gz BUPHKPOHUHBZBO-AWEZNQCLSA-N 1 0 409.468 0.529 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000465992255 1080764098 /nfs/dbraw/zinc/76/40/98/1080764098.db2.gz BUPHKPOHUHBZBO-CQSZACIVSA-N 1 0 409.468 0.529 20 5 HCBDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000465998320 1080771619 /nfs/dbraw/zinc/77/16/19/1080771619.db2.gz NGENFSWHRBQMSO-AWEZNQCLSA-N 1 0 413.500 0.999 20 5 HCBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000465998321 1080771486 /nfs/dbraw/zinc/77/14/86/1080771486.db2.gz NGENFSWHRBQMSO-CQSZACIVSA-N 1 0 413.500 0.999 20 5 HCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000466253714 1081043795 /nfs/dbraw/zinc/04/37/95/1081043795.db2.gz FFDMNZJQZXDCDW-BLLLJJGKSA-N 1 0 411.484 0.655 20 5 HCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000466253715 1081043698 /nfs/dbraw/zinc/04/36/98/1081043698.db2.gz FFDMNZJQZXDCDW-LRDDRELGSA-N 1 0 411.484 0.655 20 5 HCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000466253717 1081043891 /nfs/dbraw/zinc/04/38/91/1081043891.db2.gz FFDMNZJQZXDCDW-MLGOLLRUSA-N 1 0 411.484 0.655 20 5 HCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000466253719 1081043815 /nfs/dbraw/zinc/04/38/15/1081043815.db2.gz FFDMNZJQZXDCDW-WBMJQRKESA-N 1 0 411.484 0.655 20 5 HCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000466261404 1081047323 /nfs/dbraw/zinc/04/73/23/1081047323.db2.gz DSJXZPPWEOZWCI-BLLLJJGKSA-N 1 0 411.484 0.655 20 5 HCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000466261407 1081047272 /nfs/dbraw/zinc/04/72/72/1081047272.db2.gz DSJXZPPWEOZWCI-LRDDRELGSA-N 1 0 411.484 0.655 20 5 HCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000466261409 1081047640 /nfs/dbraw/zinc/04/76/40/1081047640.db2.gz DSJXZPPWEOZWCI-MLGOLLRUSA-N 1 0 411.484 0.655 20 5 HCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000466261411 1081047477 /nfs/dbraw/zinc/04/74/77/1081047477.db2.gz DSJXZPPWEOZWCI-WBMJQRKESA-N 1 0 411.484 0.655 20 5 HCBDRO Cc1cc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000466438405 1081153546 /nfs/dbraw/zinc/15/35/46/1081153546.db2.gz MCNKVLMOACQVNB-UHFFFAOYSA-N 1 0 411.422 0.918 20 5 HCBDRO CCNc1ccc(C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)cc1[N+](=O)[O-] ZINC000466531573 1081253178 /nfs/dbraw/zinc/25/31/78/1081253178.db2.gz UIAHMHUVOXONRV-UHFFFAOYSA-N 1 0 407.471 0.889 20 5 HCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000487662170 1077321188 /nfs/dbraw/zinc/32/11/88/1077321188.db2.gz WMBYJILDOPHILJ-HNNXBMFYSA-N 1 0 417.466 0.480 20 5 HCBDRO COC(=O)C1CC[NH+](CCCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000487671849 1077325185 /nfs/dbraw/zinc/32/51/85/1077325185.db2.gz HZSQFGUPZRAXAQ-UHFFFAOYSA-N 1 0 406.439 0.716 20 5 HCBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000487760568 1077483601 /nfs/dbraw/zinc/48/36/01/1077483601.db2.gz JNHZRYQUQAUZAP-AWEZNQCLSA-N 1 0 422.438 0.855 20 5 HCBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000487760570 1077483301 /nfs/dbraw/zinc/48/33/01/1077483301.db2.gz JNHZRYQUQAUZAP-CQSZACIVSA-N 1 0 422.438 0.855 20 5 HCBDRO COC(=O)c1cc(NC(=O)C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c(C)c([N+](=O)[O-])c1 ZINC000487780426 1077562605 /nfs/dbraw/zinc/56/26/05/1077562605.db2.gz GDIHMZOEDXQCAV-GFCCVEGCSA-N 1 0 422.438 0.543 20 5 HCBDRO COC(=O)c1cc(NC(=O)C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c(C)c([N+](=O)[O-])c1 ZINC000487780430 1077562493 /nfs/dbraw/zinc/56/24/93/1077562493.db2.gz GDIHMZOEDXQCAV-LBPRGKRZSA-N 1 0 422.438 0.543 20 5 HCBDRO COC(=O)c1cc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)c(C)c([N+](=O)[O-])c1 ZINC000487785586 1077593989 /nfs/dbraw/zinc/59/39/89/1077593989.db2.gz PWBZYMWDAFQYOJ-UHFFFAOYSA-N 1 0 401.379 0.674 20 5 HCBDRO COC(=O)c1cc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(C)c([N+](=O)[O-])c1 ZINC000487808254 1077665634 /nfs/dbraw/zinc/66/56/34/1077665634.db2.gz VYJSARJIMYLAKA-GFCCVEGCSA-N 1 0 421.454 0.380 20 5 HCBDRO COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(C)c([N+](=O)[O-])c1 ZINC000487808255 1077665675 /nfs/dbraw/zinc/66/56/75/1077665675.db2.gz VYJSARJIMYLAKA-LBPRGKRZSA-N 1 0 421.454 0.380 20 5 HCBDRO COC(=O)c1cc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c(C)c([N+](=O)[O-])c1 ZINC000487809628 1077667721 /nfs/dbraw/zinc/66/77/21/1077667721.db2.gz YZOHOHLNAKLICE-UHFFFAOYSA-N 1 0 408.411 0.201 20 5 HCBDRO COC(=O)c1cc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)c(C)c([N+](=O)[O-])c1 ZINC000487825196 1077702104 /nfs/dbraw/zinc/70/21/04/1077702104.db2.gz VBKVCMLSLCUZOL-UHFFFAOYSA-N 1 0 422.438 0.591 20 5 HCBDRO COC(=O)c1cc(NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)c(C)c([N+](=O)[O-])c1 ZINC000487839493 1077728683 /nfs/dbraw/zinc/72/86/83/1077728683.db2.gz DFDGFCWOTGHUEF-UHFFFAOYSA-N 1 0 421.454 0.382 20 5 HCBDRO COC(=O)c1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)c(C)c([N+](=O)[O-])c1 ZINC000487843042 1077734152 /nfs/dbraw/zinc/73/41/52/1077734152.db2.gz USLQSCMCZNDJRF-UHFFFAOYSA-N 1 0 422.438 0.855 20 5 HCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)C1 ZINC000487845308 1077745357 /nfs/dbraw/zinc/74/53/57/1077745357.db2.gz WTYQETRTEXAVGD-CYBMUJFWSA-N 1 0 408.411 0.465 20 5 HCBDRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CC1 ZINC000487880971 1077799983 /nfs/dbraw/zinc/79/99/83/1077799983.db2.gz SRJLUZCQJJLVKT-UHFFFAOYSA-N 1 0 422.438 0.855 20 5 HCBDRO COC(=O)c1cc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)c(C)c([N+](=O)[O-])c1 ZINC000487885814 1077808181 /nfs/dbraw/zinc/80/81/81/1077808181.db2.gz HMJTVFTUJOJGLU-UHFFFAOYSA-N 1 0 422.438 0.857 20 5 HCBDRO CNS(=O)(=O)c1ccc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000488014172 1077976441 /nfs/dbraw/zinc/97/64/41/1077976441.db2.gz LTPOEAYHNNZTSQ-UHFFFAOYSA-N 1 0 411.484 0.247 20 5 HCBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(NC[C@H]2COCCO2)c([N+](=O)[O-])c1 ZINC000488025547 1078006311 /nfs/dbraw/zinc/00/63/11/1078006311.db2.gz UJZCIMCTHQYQAO-ZDUSSCGKSA-N 1 0 402.473 0.652 20 5 HCBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000488085603 1078070726 /nfs/dbraw/zinc/07/07/26/1078070726.db2.gz DWZNTQVIRHSBGC-KRWDZBQOSA-N 1 0 411.484 0.610 20 5 HCBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000488085604 1078070765 /nfs/dbraw/zinc/07/07/65/1078070765.db2.gz DWZNTQVIRHSBGC-QGZVFWFLSA-N 1 0 411.484 0.610 20 5 HCBDRO COc1c(F)cc(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000491594352 1077252494 /nfs/dbraw/zinc/25/24/94/1077252494.db2.gz PGOBVEFOHBBMLH-GFCCVEGCSA-N 1 0 404.464 0.904 20 5 HCBDRO COc1c(F)cc(S(=O)(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000491594353 1077252595 /nfs/dbraw/zinc/25/25/95/1077252595.db2.gz PGOBVEFOHBBMLH-LBPRGKRZSA-N 1 0 404.464 0.904 20 5 HCBDRO C[N@H+](CCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000491791223 1077264263 /nfs/dbraw/zinc/26/42/63/1077264263.db2.gz XKBXTBLOEMGSAX-UHFFFAOYSA-N 1 0 411.484 0.705 20 5 HCBDRO C[N@H+](CCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000491838735 1077266642 /nfs/dbraw/zinc/26/66/42/1077266642.db2.gz UOSTYWKTOPFCDM-UHFFFAOYSA-N 1 0 411.484 0.705 20 5 HCBDRO C[N@H+](CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000491876047 1077267542 /nfs/dbraw/zinc/26/75/42/1077267542.db2.gz NISBQTKWUSLSEY-UHFFFAOYSA-N 1 0 411.484 0.705 20 5 HCBDRO Cc1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)c(OCC[NH+](C)C)c1 ZINC000492211832 1077282013 /nfs/dbraw/zinc/28/20/13/1077282013.db2.gz VHFSBUVKEUNWCW-UHFFFAOYSA-N 1 0 404.427 0.795 20 5 HCBDRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)c2)CC1 ZINC000492352315 1077288553 /nfs/dbraw/zinc/28/85/53/1077288553.db2.gz AHYPFLFTDGXIIJ-UHFFFAOYSA-N 1 0 415.454 0.294 20 5 HCBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000492694563 1077307175 /nfs/dbraw/zinc/30/71/75/1077307175.db2.gz FKYNAOKXQODZCZ-UHFFFAOYSA-N 1 0 417.426 0.436 20 5 HCBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000493344048 1077342676 /nfs/dbraw/zinc/34/26/76/1077342676.db2.gz KJKLPSIQVNUZKU-BLLLJJGKSA-N 1 0 411.484 0.597 20 5 HCBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000493344049 1077342740 /nfs/dbraw/zinc/34/27/40/1077342740.db2.gz KJKLPSIQVNUZKU-LRDDRELGSA-N 1 0 411.484 0.597 20 5 HCBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000493344050 1077342762 /nfs/dbraw/zinc/34/27/62/1077342762.db2.gz KJKLPSIQVNUZKU-MLGOLLRUSA-N 1 0 411.484 0.597 20 5 HCBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000493344051 1077342656 /nfs/dbraw/zinc/34/26/56/1077342656.db2.gz KJKLPSIQVNUZKU-WBMJQRKESA-N 1 0 411.484 0.597 20 5 HCBDRO O=C(NCCNc1cc[nH+]cc1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000493465742 1077349443 /nfs/dbraw/zinc/34/94/43/1077349443.db2.gz PFMBQVPHCMNTIL-KRWDZBQOSA-N 1 0 419.463 0.793 20 5 HCBDRO O=C(NCCNc1cc[nH+]cc1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000493465744 1077349526 /nfs/dbraw/zinc/34/95/26/1077349526.db2.gz PFMBQVPHCMNTIL-QGZVFWFLSA-N 1 0 419.463 0.793 20 5 HCBDRO COCC[N@H+](C)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000493640480 1077359241 /nfs/dbraw/zinc/35/92/41/1077359241.db2.gz JIYLWVZRMOPPIB-INIZCTEOSA-N 1 0 414.484 0.442 20 5 HCBDRO COCC[N@H+](C)CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000493640481 1077359157 /nfs/dbraw/zinc/35/91/57/1077359157.db2.gz JIYLWVZRMOPPIB-MRXNPFEDSA-N 1 0 414.484 0.442 20 5 HCBDRO Cc1cc(C)c(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000493924017 1077376817 /nfs/dbraw/zinc/37/68/17/1077376817.db2.gz GEHFLTNPRHRPLQ-UHFFFAOYSA-N 1 0 414.528 0.880 20 5 HCBDRO O=C(NCCCC[NH+]1CCN(CCO)CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000494306625 1077495943 /nfs/dbraw/zinc/49/59/43/1077495943.db2.gz GKUPWLVJEOGKJA-UHFFFAOYSA-N 1 0 416.482 0.900 20 5 HCBDRO C[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1cn[nH]c1 ZINC000494677790 1077584802 /nfs/dbraw/zinc/58/48/02/1077584802.db2.gz AASUEIXVQMYBDU-CYBMUJFWSA-N 1 0 422.467 0.502 20 5 HCBDRO C[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1cn[nH]c1 ZINC000494677811 1077584941 /nfs/dbraw/zinc/58/49/41/1077584941.db2.gz AASUEIXVQMYBDU-ZDUSSCGKSA-N 1 0 422.467 0.502 20 5 HCBDRO C[NH+](C)CCOc1cnccc1CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000494698596 1077590924 /nfs/dbraw/zinc/59/09/24/1077590924.db2.gz JXVLRWKHRNGZRA-UHFFFAOYSA-N 1 0 423.451 0.508 20 5 HCBDRO C[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1cn[nH]c1 ZINC000494700718 1077591556 /nfs/dbraw/zinc/59/15/56/1077591556.db2.gz BKHKSVDXSJXOCZ-CYBMUJFWSA-N 1 0 422.467 0.502 20 5 HCBDRO C[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1cn[nH]c1 ZINC000494700720 1077591587 /nfs/dbraw/zinc/59/15/87/1077591587.db2.gz BKHKSVDXSJXOCZ-ZDUSSCGKSA-N 1 0 422.467 0.502 20 5 HCBDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000494746961 1077606869 /nfs/dbraw/zinc/60/68/69/1077606869.db2.gz RNIORGOPHGIKFT-GFCCVEGCSA-N 1 0 400.457 0.946 20 5 HCBDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000494746962 1077606704 /nfs/dbraw/zinc/60/67/04/1077606704.db2.gz RNIORGOPHGIKFT-LBPRGKRZSA-N 1 0 400.457 0.946 20 5 HCBDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000494749505 1077609153 /nfs/dbraw/zinc/60/91/53/1077609153.db2.gz QHLFJLOKGMKOQC-CYBMUJFWSA-N 1 0 400.457 0.946 20 5 HCBDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000494749506 1077608889 /nfs/dbraw/zinc/60/88/89/1077608889.db2.gz QHLFJLOKGMKOQC-ZDUSSCGKSA-N 1 0 400.457 0.946 20 5 HCBDRO Cc1c(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000494834074 1077653537 /nfs/dbraw/zinc/65/35/37/1077653537.db2.gz DEZWJYJMYVMTMI-UHFFFAOYSA-N 1 0 415.516 0.506 20 5 HCBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000494841933 1077657670 /nfs/dbraw/zinc/65/76/70/1077657670.db2.gz JANIQVMLSFUSQS-UHFFFAOYSA-N 1 0 405.455 0.533 20 5 HCBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000494842783 1077657619 /nfs/dbraw/zinc/65/76/19/1077657619.db2.gz TVRFVQOVALFVOS-UHFFFAOYSA-N 1 0 401.489 0.198 20 5 HCBDRO Cc1c(C(=O)NCCC[N@@H+](C)CCN(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000494847009 1077659225 /nfs/dbraw/zinc/65/92/25/1077659225.db2.gz SLQLYMQEBIBPHK-UHFFFAOYSA-N 1 0 401.489 0.164 20 5 HCBDRO CNC(=O)CCOC1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000494980039 1077690620 /nfs/dbraw/zinc/69/06/20/1077690620.db2.gz NSRRAJZDGJCTKO-UHFFFAOYSA-N 1 0 408.411 0.879 20 5 HCBDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000495016774 1077698750 /nfs/dbraw/zinc/69/87/50/1077698750.db2.gz KGEFCQYNYYRTAY-UHFFFAOYSA-N 1 0 409.491 0.717 20 5 HCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000495194285 1077752634 /nfs/dbraw/zinc/75/26/34/1077752634.db2.gz LIYWTPHOPQKYPX-AWEZNQCLSA-N 1 0 407.475 0.725 20 5 HCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000495194291 1077752581 /nfs/dbraw/zinc/75/25/81/1077752581.db2.gz LIYWTPHOPQKYPX-CQSZACIVSA-N 1 0 407.475 0.725 20 5 HCBDRO CO[C@@H](C)c1noc(CN2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000495229079 1077763888 /nfs/dbraw/zinc/76/38/88/1077763888.db2.gz IMTPPUTVMUYKDS-DZGCQCFKSA-N 1 0 409.447 0.451 20 5 HCBDRO CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000495229180 1077763948 /nfs/dbraw/zinc/76/39/48/1077763948.db2.gz IMTPPUTVMUYKDS-HIFRSBDPSA-N 1 0 409.447 0.451 20 5 HCBDRO CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000495229181 1077763760 /nfs/dbraw/zinc/76/37/60/1077763760.db2.gz IMTPPUTVMUYKDS-UKRRQHHQSA-N 1 0 409.447 0.451 20 5 HCBDRO CO[C@@H](C)c1noc(CN2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000495229182 1077763648 /nfs/dbraw/zinc/76/36/48/1077763648.db2.gz IMTPPUTVMUYKDS-ZFWWWQNUSA-N 1 0 409.447 0.451 20 5 HCBDRO CS[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000495681732 1077862030 /nfs/dbraw/zinc/86/20/30/1077862030.db2.gz KKJJJJADAPMDHE-CABCVRRESA-N 1 0 416.525 0.767 20 5 HCBDRO CS[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000495681733 1077861974 /nfs/dbraw/zinc/86/19/74/1077861974.db2.gz KKJJJJADAPMDHE-GJZGRUSLSA-N 1 0 416.525 0.767 20 5 HCBDRO CS[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000495681734 1077861987 /nfs/dbraw/zinc/86/19/87/1077861987.db2.gz KKJJJJADAPMDHE-HUUCEWRRSA-N 1 0 416.525 0.767 20 5 HCBDRO CS[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000495681735 1077862176 /nfs/dbraw/zinc/86/21/76/1077862176.db2.gz KKJJJJADAPMDHE-LSDHHAIUSA-N 1 0 416.525 0.767 20 5 HCBDRO CS[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000495682800 1077862345 /nfs/dbraw/zinc/86/23/45/1077862345.db2.gz UURAFZZVHDXJAZ-CABCVRRESA-N 1 0 416.525 0.719 20 5 HCBDRO CS[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000495682801 1077862412 /nfs/dbraw/zinc/86/24/12/1077862412.db2.gz UURAFZZVHDXJAZ-GJZGRUSLSA-N 1 0 416.525 0.719 20 5 HCBDRO CS[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000495682802 1077862430 /nfs/dbraw/zinc/86/24/30/1077862430.db2.gz UURAFZZVHDXJAZ-HUUCEWRRSA-N 1 0 416.525 0.719 20 5 HCBDRO CS[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000495682803 1077862385 /nfs/dbraw/zinc/86/23/85/1077862385.db2.gz UURAFZZVHDXJAZ-LSDHHAIUSA-N 1 0 416.525 0.719 20 5 HCBDRO CSCC[C@H]([NH3+])C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000496206301 1078055306 /nfs/dbraw/zinc/05/53/06/1078055306.db2.gz XCHJVYUMVJEZFS-ZDUSSCGKSA-N 1 0 416.525 0.727 20 5 HCBDRO CSCC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000496315627 1078062822 /nfs/dbraw/zinc/06/28/22/1078062822.db2.gz TXCSWJXGEXOVOT-AWEZNQCLSA-N 1 0 402.498 0.508 20 5 HCBDRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1(C)C ZINC000496333659 1078065399 /nfs/dbraw/zinc/06/53/99/1078065399.db2.gz SVTJBTYNQTZPFZ-UHFFFAOYSA-N 1 0 421.502 0.097 20 5 HCBDRO C[N@@H+]1CCN(CCNC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1(C)C ZINC000496335144 1078065295 /nfs/dbraw/zinc/06/52/95/1078065295.db2.gz ZWMNDNFRUQVNOC-UHFFFAOYSA-N 1 0 417.470 0.230 20 5 HCBDRO CSCC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000496335765 1078065724 /nfs/dbraw/zinc/06/57/24/1078065724.db2.gz ADTGTHXTPVJSPI-LBPRGKRZSA-N 1 0 402.498 0.508 20 5 HCBDRO COc1ccc(C(=O)NCC(=O)N2CCC([N@H+](C)CCCO)CC2)cc1[N+](=O)[O-] ZINC000496989165 1078112336 /nfs/dbraw/zinc/11/23/36/1078112336.db2.gz WYCXZLWHWCPYOE-UHFFFAOYSA-N 1 0 408.455 0.638 20 5 HCBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000497410852 1078239583 /nfs/dbraw/zinc/23/95/83/1078239583.db2.gz WNTFYUVXPPKQJX-BBRMVZONSA-N 1 0 411.484 0.609 20 5 HCBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000497410855 1078239537 /nfs/dbraw/zinc/23/95/37/1078239537.db2.gz WNTFYUVXPPKQJX-CJNGLKHVSA-N 1 0 411.484 0.609 20 5 HCBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000497410856 1078239487 /nfs/dbraw/zinc/23/94/87/1078239487.db2.gz WNTFYUVXPPKQJX-CZUORRHYSA-N 1 0 411.484 0.609 20 5 HCBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000497410858 1078239560 /nfs/dbraw/zinc/23/95/60/1078239560.db2.gz WNTFYUVXPPKQJX-XJKSGUPXSA-N 1 0 411.484 0.609 20 5 HCBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000497477293 1078258606 /nfs/dbraw/zinc/25/86/06/1078258606.db2.gz BOELSSCPCXZAKY-BBRMVZONSA-N 1 0 411.484 0.609 20 5 HCBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000497477294 1078258558 /nfs/dbraw/zinc/25/85/58/1078258558.db2.gz BOELSSCPCXZAKY-CJNGLKHVSA-N 1 0 411.484 0.609 20 5 HCBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000497477295 1078258756 /nfs/dbraw/zinc/25/87/56/1078258756.db2.gz BOELSSCPCXZAKY-CZUORRHYSA-N 1 0 411.484 0.609 20 5 HCBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000497477296 1078259065 /nfs/dbraw/zinc/25/90/65/1078259065.db2.gz BOELSSCPCXZAKY-XJKSGUPXSA-N 1 0 411.484 0.609 20 5 HCBDRO COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(CC[NH+](C)C)CC2)cc1OC ZINC000497492068 1078262865 /nfs/dbraw/zinc/26/28/65/1078262865.db2.gz CQPDAHKQZGKZBU-UHFFFAOYSA-N 1 0 410.471 0.948 20 5 HCBDRO CS(=O)(=O)c1cccc(NCCCCN2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000497521732 1078270343 /nfs/dbraw/zinc/27/03/43/1078270343.db2.gz LSFVAHMPRCZUSE-UHFFFAOYSA-N 1 0 400.501 0.800 20 5 HCBDRO CNC(=O)[C@H]1CCC[C@@H]1Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000497524595 1078267695 /nfs/dbraw/zinc/26/76/95/1078267695.db2.gz PITRGBRHGNIDQW-KBPBESRZSA-N 1 0 413.500 0.761 20 5 HCBDRO CNC(=O)[C@@H]1CCC[C@@H]1Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000497524599 1078267830 /nfs/dbraw/zinc/26/78/30/1078267830.db2.gz PITRGBRHGNIDQW-KGLIPLIRSA-N 1 0 413.500 0.761 20 5 HCBDRO CNC(=O)[C@H]1CCC[C@H]1Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000497524602 1078267719 /nfs/dbraw/zinc/26/77/19/1078267719.db2.gz PITRGBRHGNIDQW-UONOGXRCSA-N 1 0 413.500 0.761 20 5 HCBDRO CNC(=O)[C@@H]1CCC[C@H]1Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000497525031 1078268095 /nfs/dbraw/zinc/26/80/95/1078268095.db2.gz PITRGBRHGNIDQW-ZIAGYGMSSA-N 1 0 413.500 0.761 20 5 HCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCN3C(=O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000497549293 1078271539 /nfs/dbraw/zinc/27/15/39/1078271539.db2.gz VIWOXBBIGFXOPP-CYBMUJFWSA-N 1 0 411.484 0.246 20 5 HCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCN3C(=O)CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000497549294 1078271574 /nfs/dbraw/zinc/27/15/74/1078271574.db2.gz VIWOXBBIGFXOPP-ZDUSSCGKSA-N 1 0 411.484 0.246 20 5 HCBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000497667725 1078300803 /nfs/dbraw/zinc/30/08/03/1078300803.db2.gz ZJZOBUAFIACJPA-DZGCQCFKSA-N 1 0 411.484 0.609 20 5 HCBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000497667726 1078300750 /nfs/dbraw/zinc/30/07/50/1078300750.db2.gz ZJZOBUAFIACJPA-HIFRSBDPSA-N 1 0 411.484 0.609 20 5 HCBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000497667727 1078301024 /nfs/dbraw/zinc/30/10/24/1078301024.db2.gz ZJZOBUAFIACJPA-UKRRQHHQSA-N 1 0 411.484 0.609 20 5 HCBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000497667728 1078300942 /nfs/dbraw/zinc/30/09/42/1078300942.db2.gz ZJZOBUAFIACJPA-ZFWWWQNUSA-N 1 0 411.484 0.609 20 5 HCBDRO C[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497669785 1078301422 /nfs/dbraw/zinc/30/14/22/1078301422.db2.gz FYJZFSJHYSCZKX-CRAIPNDOSA-N 1 0 403.483 0.809 20 5 HCBDRO C[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000497669786 1078301400 /nfs/dbraw/zinc/30/14/00/1078301400.db2.gz FYJZFSJHYSCZKX-MAUKXSAKSA-N 1 0 403.483 0.809 20 5 HCBDRO C[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497669787 1078301424 /nfs/dbraw/zinc/30/14/24/1078301424.db2.gz FYJZFSJHYSCZKX-QAPCUYQASA-N 1 0 403.483 0.809 20 5 HCBDRO C[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000497669788 1078301405 /nfs/dbraw/zinc/30/14/05/1078301405.db2.gz FYJZFSJHYSCZKX-YJBOKZPZSA-N 1 0 403.483 0.809 20 5 HCBDRO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CC([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000497705343 1078310315 /nfs/dbraw/zinc/31/03/15/1078310315.db2.gz GDKMFZJVYVSLDL-UHFFFAOYSA-N 1 0 414.484 0.777 20 5 HCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000497736056 1078314808 /nfs/dbraw/zinc/31/48/08/1078314808.db2.gz LYFRHIFGUNABTE-AEFFLSMTSA-N 1 0 400.435 0.756 20 5 HCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000497736057 1078314695 /nfs/dbraw/zinc/31/46/95/1078314695.db2.gz LYFRHIFGUNABTE-FUHWJXTLSA-N 1 0 400.435 0.756 20 5 HCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000497736058 1078314736 /nfs/dbraw/zinc/31/47/36/1078314736.db2.gz LYFRHIFGUNABTE-SJLPKXTDSA-N 1 0 400.435 0.756 20 5 HCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000497736059 1078314682 /nfs/dbraw/zinc/31/46/82/1078314682.db2.gz LYFRHIFGUNABTE-WMZOPIPTSA-N 1 0 400.435 0.756 20 5 HCBDRO CCNC(=O)[C@@H](C)Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000497748907 1078318060 /nfs/dbraw/zinc/31/80/60/1078318060.db2.gz MCOZUZZXSZPRFW-GFCCVEGCSA-N 1 0 401.489 0.761 20 5 HCBDRO CCNC(=O)[C@H](C)Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000497748908 1078318175 /nfs/dbraw/zinc/31/81/75/1078318175.db2.gz MCOZUZZXSZPRFW-LBPRGKRZSA-N 1 0 401.489 0.761 20 5 HCBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000498078604 1078364907 /nfs/dbraw/zinc/36/49/07/1078364907.db2.gz XKYPHLOPOONDMH-ZDUSSCGKSA-N 1 0 413.500 0.892 20 5 HCBDRO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000498259205 1078444472 /nfs/dbraw/zinc/44/44/72/1078444472.db2.gz RZFLIUODRZMRKB-AWEZNQCLSA-N 1 0 412.468 0.531 20 5 HCBDRO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000498259206 1078444408 /nfs/dbraw/zinc/44/44/08/1078444408.db2.gz RZFLIUODRZMRKB-CQSZACIVSA-N 1 0 412.468 0.531 20 5 HCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000498323340 1078488010 /nfs/dbraw/zinc/48/80/10/1078488010.db2.gz PIPLUUAONRBMQD-UHFFFAOYSA-N 1 0 406.487 0.940 20 5 HCBDRO C[NH+](C)CCOC1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000498323486 1078487918 /nfs/dbraw/zinc/48/79/18/1078487918.db2.gz DIKNUBQTMZISST-UHFFFAOYSA-N 1 0 404.423 0.760 20 5 HCBDRO C[NH+](C)CCOC1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498333276 1078511895 /nfs/dbraw/zinc/51/18/95/1078511895.db2.gz CUJVYCWTAGPBLG-UHFFFAOYSA-N 1 0 407.471 0.963 20 5 HCBDRO C[NH+](C)CCOC1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000498337909 1078527300 /nfs/dbraw/zinc/52/73/00/1078527300.db2.gz VRAQOPQZECUCGS-UHFFFAOYSA-N 1 0 406.439 0.889 20 5 HCBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000498356578 1078541717 /nfs/dbraw/zinc/54/17/17/1078541717.db2.gz ULMHANXSGNQNJV-KRWDZBQOSA-N 1 0 407.471 0.867 20 5 HCBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000498356579 1078542014 /nfs/dbraw/zinc/54/20/14/1078542014.db2.gz ULMHANXSGNQNJV-QGZVFWFLSA-N 1 0 407.471 0.867 20 5 HCBDRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000498378073 1078555387 /nfs/dbraw/zinc/55/53/87/1078555387.db2.gz WINULIOMVRGLEW-UHFFFAOYSA-N 1 0 421.498 0.843 20 5 HCBDRO O=C(NCC(=O)N1CCC(C[NH+]2CCOCC2)CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000498401902 1078572853 /nfs/dbraw/zinc/57/28/53/1078572853.db2.gz OURIBZLLRDPENR-UHFFFAOYSA-N 1 0 419.482 0.965 20 5 HCBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000498414914 1078583700 /nfs/dbraw/zinc/58/37/00/1078583700.db2.gz NLECFDAGHKMIKK-UHFFFAOYSA-N 1 0 420.514 0.878 20 5 HCBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498425205 1078589458 /nfs/dbraw/zinc/58/94/58/1078589458.db2.gz KNOUJTWEVARRBQ-INIZCTEOSA-N 1 0 420.514 0.784 20 5 HCBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498425206 1078589367 /nfs/dbraw/zinc/58/93/67/1078589367.db2.gz KNOUJTWEVARRBQ-MRXNPFEDSA-N 1 0 420.514 0.784 20 5 HCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498425993 1078591839 /nfs/dbraw/zinc/59/18/39/1078591839.db2.gz OEBBDYQZJLOWIJ-INIZCTEOSA-N 1 0 414.470 0.642 20 5 HCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498426004 1078591887 /nfs/dbraw/zinc/59/18/87/1078591887.db2.gz OEBBDYQZJLOWIJ-MRXNPFEDSA-N 1 0 414.470 0.642 20 5 HCBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000498426524 1078591331 /nfs/dbraw/zinc/59/13/31/1078591331.db2.gz VZBNSYSXYZQYEP-OAHLLOKOSA-N 1 0 419.482 0.710 20 5 HCBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000498426577 1078590512 /nfs/dbraw/zinc/59/05/12/1078590512.db2.gz WSNNCNPEDPPDOE-UHFFFAOYSA-N 1 0 417.466 0.675 20 5 HCBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000498434304 1078605134 /nfs/dbraw/zinc/60/51/34/1078605134.db2.gz HNKYVOYVDSSKQM-AWEZNQCLSA-N 1 0 417.466 0.581 20 5 HCBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000498434305 1078605260 /nfs/dbraw/zinc/60/52/60/1078605260.db2.gz HNKYVOYVDSSKQM-CQSZACIVSA-N 1 0 417.466 0.581 20 5 HCBDRO CC(C)[C@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[NH+]1CCN(C)CC1 ZINC000498457863 1078623057 /nfs/dbraw/zinc/62/30/57/1078623057.db2.gz QAQDASYZPPWRAU-KRWDZBQOSA-N 1 0 419.482 0.708 20 5 HCBDRO CC(C)[C@@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[NH+]1CCN(C)CC1 ZINC000498457897 1078623577 /nfs/dbraw/zinc/62/35/77/1078623577.db2.gz QAQDASYZPPWRAU-QGZVFWFLSA-N 1 0 419.482 0.708 20 5 HCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000498506911 1078672961 /nfs/dbraw/zinc/67/29/61/1078672961.db2.gz XKWIUVHHQHZNJE-CYBMUJFWSA-N 1 0 403.439 0.333 20 5 HCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000498506917 1078673569 /nfs/dbraw/zinc/67/35/69/1078673569.db2.gz XKWIUVHHQHZNJE-ZDUSSCGKSA-N 1 0 403.439 0.333 20 5 HCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498508139 1078675584 /nfs/dbraw/zinc/67/55/84/1078675584.db2.gz TXOKMKOADXEHFQ-HNNXBMFYSA-N 1 0 406.487 0.536 20 5 HCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498508140 1078675494 /nfs/dbraw/zinc/67/54/94/1078675494.db2.gz TXOKMKOADXEHFQ-OAHLLOKOSA-N 1 0 406.487 0.536 20 5 HCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000498508680 1078674137 /nfs/dbraw/zinc/67/41/37/1078674137.db2.gz HBQXTJAPPPPQLN-CYBMUJFWSA-N 1 0 409.512 0.928 20 5 HCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000498508683 1078674793 /nfs/dbraw/zinc/67/47/93/1078674793.db2.gz HBQXTJAPPPPQLN-ZDUSSCGKSA-N 1 0 409.512 0.928 20 5 HCBDRO CC[NH+]1CCN(CCNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000498522509 1078689705 /nfs/dbraw/zinc/68/97/05/1078689705.db2.gz FLVWYHDDMDFYSB-UHFFFAOYSA-N 1 0 413.500 0.017 20 5 HCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000498523393 1078690425 /nfs/dbraw/zinc/69/04/25/1078690425.db2.gz AWTYTSVNXIWXLC-AWEZNQCLSA-N 1 0 405.455 0.462 20 5 HCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000498523394 1078690446 /nfs/dbraw/zinc/69/04/46/1078690446.db2.gz AWTYTSVNXIWXLC-CQSZACIVSA-N 1 0 405.455 0.462 20 5 HCBDRO CC[NH+]1CCN(CCNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000498524303 1078691924 /nfs/dbraw/zinc/69/19/24/1078691924.db2.gz NPBGBSRNMNGPRJ-UHFFFAOYSA-N 1 0 413.500 0.017 20 5 HCBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000498566295 1078729486 /nfs/dbraw/zinc/72/94/86/1078729486.db2.gz IWSHPQLEMIJKNF-CHWSQXEVSA-N 1 0 413.500 0.985 20 5 HCBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000498566296 1078729372 /nfs/dbraw/zinc/72/93/72/1078729372.db2.gz IWSHPQLEMIJKNF-OLZOCXBDSA-N 1 0 413.500 0.985 20 5 HCBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000498566297 1078729556 /nfs/dbraw/zinc/72/95/56/1078729556.db2.gz IWSHPQLEMIJKNF-QWHCGFSZSA-N 1 0 413.500 0.985 20 5 HCBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000498566298 1078729523 /nfs/dbraw/zinc/72/95/23/1078729523.db2.gz IWSHPQLEMIJKNF-STQMWFEESA-N 1 0 413.500 0.985 20 5 HCBDRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000498741034 1078849329 /nfs/dbraw/zinc/84/93/29/1078849329.db2.gz RMZYSRVFQCHMFC-UHFFFAOYSA-N 1 0 419.482 0.631 20 5 HCBDRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000498741232 1078850156 /nfs/dbraw/zinc/85/01/56/1078850156.db2.gz SZZVSVRXNHDWHN-UHFFFAOYSA-N 1 0 406.439 0.896 20 5 HCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000498742496 1078846494 /nfs/dbraw/zinc/84/64/94/1078846494.db2.gz AHKFWHLSQQBUIB-UHFFFAOYSA-N 1 0 407.475 0.417 20 5 HCBDRO COc1cc(OCC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000498746153 1078855326 /nfs/dbraw/zinc/85/53/26/1078855326.db2.gz DTLKOHUIOJBJOO-UHFFFAOYSA-N 1 0 408.455 0.899 20 5 HCBDRO COC(=O)c1cc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000498753148 1078853414 /nfs/dbraw/zinc/85/34/14/1078853414.db2.gz DLEAWGUWHDOATN-UHFFFAOYSA-N 1 0 406.439 0.911 20 5 HCBDRO COCC[N@@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000498776728 1078873565 /nfs/dbraw/zinc/87/35/65/1078873565.db2.gz ZEQAPHKUEQUPPY-UHFFFAOYSA-N 1 0 414.484 0.444 20 5 HCBDRO CN1CCN(S(=O)(=O)c2ccc(NCCOCC[NH+](C)C)c([N+](=O)[O-])c2)CC1 ZINC000498848328 1078916211 /nfs/dbraw/zinc/91/62/11/1078916211.db2.gz CNJCNLNCQZGYRR-UHFFFAOYSA-N 1 0 415.516 0.521 20 5 HCBDRO C[NH+](C)CCOCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000498872779 1078930424 /nfs/dbraw/zinc/93/04/24/1078930424.db2.gz DAJDXZWLWPWIGX-UHFFFAOYSA-N 1 0 402.473 0.606 20 5 HCBDRO C[NH+](C)CCOCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000498878910 1078931981 /nfs/dbraw/zinc/93/19/81/1078931981.db2.gz ZZYWSTADWYKYIL-UHFFFAOYSA-N 1 0 402.473 0.606 20 5 HCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCCn2ccccc2=O)c([N+](=O)[O-])c1 ZINC000498925290 1078953619 /nfs/dbraw/zinc/95/36/19/1078953619.db2.gz AMUFLGXLZGYSDR-UHFFFAOYSA-N 1 0 409.468 0.709 20 5 HCBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000498984386 1078986253 /nfs/dbraw/zinc/98/62/53/1078986253.db2.gz LLRZQMDHMVOFEY-KBPBESRZSA-N 1 0 413.500 0.997 20 5 HCBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000498984387 1078986111 /nfs/dbraw/zinc/98/61/11/1078986111.db2.gz LLRZQMDHMVOFEY-KGLIPLIRSA-N 1 0 413.500 0.997 20 5 HCBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000498984388 1079002673 /nfs/dbraw/zinc/00/26/73/1079002673.db2.gz LLRZQMDHMVOFEY-UONOGXRCSA-N 1 0 413.500 0.997 20 5 HCBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000498984391 1079002719 /nfs/dbraw/zinc/00/27/19/1079002719.db2.gz LLRZQMDHMVOFEY-ZIAGYGMSSA-N 1 0 413.500 0.997 20 5 HCBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000499032708 1079016611 /nfs/dbraw/zinc/01/66/11/1079016611.db2.gz ZJHQWMOZPAGGGZ-KBPBESRZSA-N 1 0 413.500 0.997 20 5 HCBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000499032709 1079016375 /nfs/dbraw/zinc/01/63/75/1079016375.db2.gz ZJHQWMOZPAGGGZ-KGLIPLIRSA-N 1 0 413.500 0.997 20 5 HCBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000499032710 1079016408 /nfs/dbraw/zinc/01/64/08/1079016408.db2.gz ZJHQWMOZPAGGGZ-UONOGXRCSA-N 1 0 413.500 0.997 20 5 HCBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000499032711 1079016559 /nfs/dbraw/zinc/01/65/59/1079016559.db2.gz ZJHQWMOZPAGGGZ-ZIAGYGMSSA-N 1 0 413.500 0.997 20 5 HCBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000499094725 1079039197 /nfs/dbraw/zinc/03/91/97/1079039197.db2.gz VKHWKBFWYRMRGZ-KBPBESRZSA-N 1 0 413.500 0.997 20 5 HCBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000499094726 1079039335 /nfs/dbraw/zinc/03/93/35/1079039335.db2.gz VKHWKBFWYRMRGZ-KGLIPLIRSA-N 1 0 413.500 0.997 20 5 HCBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000499094727 1079039792 /nfs/dbraw/zinc/03/97/92/1079039792.db2.gz VKHWKBFWYRMRGZ-UONOGXRCSA-N 1 0 413.500 0.997 20 5 HCBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000499094728 1079039760 /nfs/dbraw/zinc/03/97/60/1079039760.db2.gz VKHWKBFWYRMRGZ-ZIAGYGMSSA-N 1 0 413.500 0.997 20 5 HCBDRO C[NH+](C)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000499120649 1079045876 /nfs/dbraw/zinc/04/58/76/1079045876.db2.gz DNYVZYRQCIUNQU-AWEZNQCLSA-N 1 0 405.498 0.724 20 5 HCBDRO C[NH+](C)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000499120650 1079045865 /nfs/dbraw/zinc/04/58/65/1079045865.db2.gz DNYVZYRQCIUNQU-CQSZACIVSA-N 1 0 405.498 0.724 20 5 HCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000499133523 1079051873 /nfs/dbraw/zinc/05/18/73/1079051873.db2.gz ZPSDEIWISXIUEJ-AWEZNQCLSA-N 1 0 419.482 0.630 20 5 HCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000499133538 1079052161 /nfs/dbraw/zinc/05/21/61/1079052161.db2.gz ZPSDEIWISXIUEJ-CQSZACIVSA-N 1 0 419.482 0.630 20 5 HCBDRO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000499285870 1079132664 /nfs/dbraw/zinc/13/26/64/1079132664.db2.gz PFOVTIXEZFEZCB-UHFFFAOYSA-N 1 0 424.483 0.454 20 5 HCBDRO NS(=O)(=O)c1ccc(NCCC(=O)N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000499618026 1080804142 /nfs/dbraw/zinc/80/41/42/1080804142.db2.gz LWBUKSYLHDFMEE-UHFFFAOYSA-N 1 0 411.484 0.741 20 5 HCBDRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc21 ZINC000499621821 1080807484 /nfs/dbraw/zinc/80/74/84/1080807484.db2.gz VOBFOLPTEKPPQH-UHFFFAOYSA-N 1 0 401.379 0.865 20 5 HCBDRO CC(C)NC(=O)CN(C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000499657244 1080873103 /nfs/dbraw/zinc/87/31/03/1080873103.db2.gz NMAMDPIZGIKOEU-UHFFFAOYSA-N 1 0 415.516 0.786 20 5 HCBDRO CN(CC(=O)NC1CC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000499675800 1081024863 /nfs/dbraw/zinc/02/48/63/1081024863.db2.gz BTOJIWLWEQXZFE-UHFFFAOYSA-N 1 0 413.500 0.540 20 5 HCBDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000499745485 1081158900 /nfs/dbraw/zinc/15/89/00/1081158900.db2.gz ATTGPJSNYPFENN-UHFFFAOYSA-N 1 0 421.498 0.699 20 5 HCBDRO C[NH+]1CCN(c2ncccc2CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000508969955 1081335411 /nfs/dbraw/zinc/33/54/11/1081335411.db2.gz ZTZJQNUKHRTZOR-UHFFFAOYSA-N 1 0 412.450 0.788 20 5 HCBDRO CNS(=O)(=O)c1ccc(N2CCC(O)(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000509055482 1081371923 /nfs/dbraw/zinc/37/19/23/1081371923.db2.gz GOGQBTOVWYASLR-UHFFFAOYSA-N 1 0 414.484 0.166 20 5 HCBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000509063240 1081375830 /nfs/dbraw/zinc/37/58/30/1081375830.db2.gz BUXYELXTWKGZSX-INIZCTEOSA-N 1 0 419.438 0.885 20 5 HCBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000509063241 1081375636 /nfs/dbraw/zinc/37/56/36/1081375636.db2.gz BUXYELXTWKGZSX-MRXNPFEDSA-N 1 0 419.438 0.885 20 5 HCBDRO C[NH+]1CCC(C)(CNC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000509451261 1074620385 /nfs/dbraw/zinc/62/03/85/1074620385.db2.gz PEGPZTPFDRWQHQ-UHFFFAOYSA-N 1 0 413.500 0.892 20 5 HCBDRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000509712518 1074689519 /nfs/dbraw/zinc/68/95/19/1074689519.db2.gz DMHMABXFYNVMHF-UHFFFAOYSA-N 1 0 407.471 0.328 20 5 HCBDRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000509722258 1074683702 /nfs/dbraw/zinc/68/37/02/1074683702.db2.gz QFZHSIPTWLDLDY-UHFFFAOYSA-N 1 0 407.471 0.328 20 5 HCBDRO C[NH+](C)C1CCN(CCNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000533978982 1074479461 /nfs/dbraw/zinc/47/94/61/1074479461.db2.gz KKNRVVBOYOAYEO-UHFFFAOYSA-N 1 0 405.503 0.847 20 5 HCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000534141649 1074569553 /nfs/dbraw/zinc/56/95/53/1074569553.db2.gz KNWROWHZNXPEKZ-UHFFFAOYSA-N 1 0 400.457 0.933 20 5 HCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000534141677 1074569685 /nfs/dbraw/zinc/56/96/85/1074569685.db2.gz RZMQIADSJQKHGV-UHFFFAOYSA-N 1 0 400.457 0.933 20 5 HCBDRO COc1ccc(NC(=O)CC[NH+]2CCC(CS(N)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000534142102 1074569156 /nfs/dbraw/zinc/56/91/56/1074569156.db2.gz VNSPACBXHMAEOV-UHFFFAOYSA-N 1 0 400.457 0.933 20 5 HCBDRO COC(=O)c1ccc(S(=O)(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC000534400547 1074612368 /nfs/dbraw/zinc/61/23/68/1074612368.db2.gz YOAAJPGNEGVFPN-UHFFFAOYSA-N 1 0 424.435 0.906 20 5 HCBDRO C[NH+](C)CCn1cc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1=O ZINC000534401535 1074612892 /nfs/dbraw/zinc/61/28/92/1074612892.db2.gz ZIHPVQJLWMJGDR-UHFFFAOYSA-N 1 0 424.435 0.890 20 5 HCBDRO CCn1cc(S(=O)(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c([N+](=O)[O-])n1 ZINC000534412299 1074610753 /nfs/dbraw/zinc/61/07/53/1074610753.db2.gz PVLVDBUVYSSEKT-YIONKMFJSA-N 1 0 412.516 0.743 20 5 HCBDRO C[NH+](C)CCn1cc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)ccc1=O ZINC000534488134 1074630635 /nfs/dbraw/zinc/63/06/35/1074630635.db2.gz BSEKERPJOXOEHJ-UHFFFAOYSA-N 1 0 413.390 0.553 20 5 HCBDRO C[NH+](C)CCn1cc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)ccc1=O ZINC000534489895 1074635961 /nfs/dbraw/zinc/63/59/61/1074635961.db2.gz XJMHCEDVVZWZDN-UHFFFAOYSA-N 1 0 415.406 0.682 20 5 HCBDRO Cn1cc([C@H](CO)Nc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])cn1 ZINC000534500774 1074633754 /nfs/dbraw/zinc/63/37/54/1074633754.db2.gz XEWTVZPWCDPJMK-HNNXBMFYSA-N 1 0 412.472 0.314 20 5 HCBDRO Cn1cc([C@@H](CO)Nc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])cn1 ZINC000534500775 1074633829 /nfs/dbraw/zinc/63/38/29/1074633829.db2.gz XEWTVZPWCDPJMK-OAHLLOKOSA-N 1 0 412.472 0.314 20 5 HCBDRO C[NH+](C)CCSCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000534519986 1074638542 /nfs/dbraw/zinc/63/85/42/1074638542.db2.gz ZHCPPRMZQOWYHQ-UHFFFAOYSA-N 1 0 416.525 0.723 20 5 HCBDRO O=C(NCCNc1cc[nH+]cc1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000534524991 1074645162 /nfs/dbraw/zinc/64/51/62/1074645162.db2.gz QLAYTWLOOHLJQV-UHFFFAOYSA-N 1 0 408.440 0.101 20 5 HCBDRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000534526416 1074645285 /nfs/dbraw/zinc/64/52/85/1074645285.db2.gz VANOUYYRAOJMEF-UHFFFAOYSA-N 1 0 401.379 0.740 20 5 HCBDRO CC[NH+](CC)CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@H]1CCS(=O)(=O)C1 ZINC000534543761 1074644742 /nfs/dbraw/zinc/64/47/42/1074644742.db2.gz TXBDIWUOIQPWIJ-HNNXBMFYSA-N 1 0 415.516 0.847 20 5 HCBDRO CC[NH+](CC)CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000534543762 1074644806 /nfs/dbraw/zinc/64/48/06/1074644806.db2.gz TXBDIWUOIQPWIJ-OAHLLOKOSA-N 1 0 415.516 0.847 20 5 HCBDRO CC[NH+](CC)CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC000534545538 1074649448 /nfs/dbraw/zinc/64/94/48/1074649448.db2.gz FMMPRQHHOYQZIW-AWEZNQCLSA-N 1 0 401.489 0.539 20 5 HCBDRO CC[NH+](CC)CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000534545539 1074649608 /nfs/dbraw/zinc/64/96/08/1074649608.db2.gz FMMPRQHHOYQZIW-CQSZACIVSA-N 1 0 401.489 0.539 20 5 HCBDRO COCC1(O)CCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000534632212 1074668309 /nfs/dbraw/zinc/66/83/09/1074668309.db2.gz RXQGFLZCGCOXDW-UHFFFAOYSA-N 1 0 416.500 0.412 20 5 HCBDRO CCn1cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c([N+](=O)[O-])n1 ZINC000534633902 1074668867 /nfs/dbraw/zinc/66/88/67/1074668867.db2.gz NEULZDZIPSDKEL-LBPRGKRZSA-N 1 0 404.493 0.182 20 5 HCBDRO CC[C@@H](CO)[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000534714095 1074695616 /nfs/dbraw/zinc/69/56/16/1074695616.db2.gz JLADWBFNYDBULQ-AWEZNQCLSA-N 1 0 414.484 0.130 20 5 HCBDRO CC[C@H](CO)[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000534714101 1074695603 /nfs/dbraw/zinc/69/56/03/1074695603.db2.gz JLADWBFNYDBULQ-CQSZACIVSA-N 1 0 414.484 0.130 20 5 HCBDRO COc1ccc(C(=O)NCC(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000535230337 1074766701 /nfs/dbraw/zinc/76/67/01/1074766701.db2.gz RVIABVANCOVCML-UHFFFAOYSA-N 1 0 417.422 0.695 20 5 HCBDRO COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000535370134 1074794370 /nfs/dbraw/zinc/79/43/70/1074794370.db2.gz OBADOVSQVRDRMU-AWEZNQCLSA-N 1 0 416.500 0.974 20 5 HCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000535372470 1074795088 /nfs/dbraw/zinc/79/50/88/1074795088.db2.gz UAVNTENKGVEAAY-AWEZNQCLSA-N 1 0 416.500 0.974 20 5 HCBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000535373326 1074794734 /nfs/dbraw/zinc/79/47/34/1074794734.db2.gz VUCKSOBOEBGUIX-AWEZNQCLSA-N 1 0 416.500 0.974 20 5 HCBDRO COc1cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000535373396 1074795878 /nfs/dbraw/zinc/79/58/78/1074795878.db2.gz ZUKZDOSUJJHICM-AWEZNQCLSA-N 1 0 416.500 0.974 20 5 HCBDRO O=C(NCCCC[NH+]1CCN(CCO)CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000535379188 1074796180 /nfs/dbraw/zinc/79/61/80/1074796180.db2.gz TWBPTMSSHWLBKU-UHFFFAOYSA-N 1 0 408.455 0.486 20 5 HCBDRO O=C(NCCCC[NH+]1CCN(CCO)CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000535380276 1074796644 /nfs/dbraw/zinc/79/66/44/1074796644.db2.gz FPNKFNFOPTZOBE-UHFFFAOYSA-N 1 0 416.482 0.900 20 5 HCBDRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000535427982 1074802497 /nfs/dbraw/zinc/80/24/97/1074802497.db2.gz URRSTXZTCGDJDJ-AWEZNQCLSA-N 1 0 414.484 0.178 20 5 HCBDRO CC[C@H](CO)[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000535427983 1074802400 /nfs/dbraw/zinc/80/24/00/1074802400.db2.gz URRSTXZTCGDJDJ-CQSZACIVSA-N 1 0 414.484 0.178 20 5 HCBDRO CC(C)C[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(=O)NCC[NH+](C)C ZINC000535498928 1074810912 /nfs/dbraw/zinc/81/09/12/1074810912.db2.gz AMBVPNLYWIRATB-INIZCTEOSA-N 1 0 417.470 0.998 20 5 HCBDRO CN1C(=O)NC2(CC[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)C1=O ZINC000535566010 1075092776 /nfs/dbraw/zinc/09/27/76/1075092776.db2.gz FHOLLVIAGOKGAO-UHFFFAOYSA-N 1 0 403.395 0.909 20 5 HCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000535566907 1075093090 /nfs/dbraw/zinc/09/30/90/1075093090.db2.gz MNRNTUZYMYMUPM-UHFFFAOYSA-N 1 0 405.411 0.948 20 5 HCBDRO COc1ccc(NC(=O)CC[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c([N+](=O)[O-])c1 ZINC000535568235 1075093502 /nfs/dbraw/zinc/09/35/02/1075093502.db2.gz ZHJDRCYEDIUEAB-UHFFFAOYSA-N 1 0 405.411 0.948 20 5 HCBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCCC[NH+]1CCOCC1 ZINC000539415400 1075313826 /nfs/dbraw/zinc/31/38/26/1075313826.db2.gz JPONDIHUJSEYSL-UHFFFAOYSA-N 1 0 400.457 0.102 20 5 HCBDRO C[N@H+](CCCO)C1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000539489229 1075346939 /nfs/dbraw/zinc/34/69/39/1075346939.db2.gz PLTNXLOVTOLJNS-UHFFFAOYSA-N 1 0 414.484 0.178 20 5 HCBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000539489963 1075347743 /nfs/dbraw/zinc/34/77/43/1075347743.db2.gz OOYCPDGIXRLMJT-AWEZNQCLSA-N 1 0 412.468 0.054 20 5 HCBDRO CNC(=O)CN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC000539608968 1075394611 /nfs/dbraw/zinc/39/46/11/1075394611.db2.gz FAUIROANVYPNHO-UHFFFAOYSA-N 1 0 405.455 0.372 20 5 HCBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC000539610164 1075395326 /nfs/dbraw/zinc/39/53/26/1075395326.db2.gz UJEKCYQXGKGFLM-UHFFFAOYSA-N 1 0 405.455 0.277 20 5 HCBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCCCN2CC[NH+](CCO)CC2)s1 ZINC000539859214 1075491674 /nfs/dbraw/zinc/49/16/74/1075491674.db2.gz CJJRQODWCYMINA-UHFFFAOYSA-N 1 0 406.530 0.862 20 5 HCBDRO Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000539978646 1075527845 /nfs/dbraw/zinc/52/78/45/1075527845.db2.gz RUNMRONGSMXXCD-UHFFFAOYSA-N 1 0 420.499 0.637 20 5 HCBDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000540005509 1075530280 /nfs/dbraw/zinc/53/02/80/1075530280.db2.gz UFXUJHIWXWMXBW-CYBMUJFWSA-N 1 0 400.457 0.946 20 5 HCBDRO CCNS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000540005510 1075530304 /nfs/dbraw/zinc/53/03/04/1075530304.db2.gz UFXUJHIWXWMXBW-ZDUSSCGKSA-N 1 0 400.457 0.946 20 5 HCBDRO COc1cc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000540037077 1075546413 /nfs/dbraw/zinc/54/64/13/1075546413.db2.gz WACFQBDCNFSMIK-UHFFFAOYSA-N 1 0 409.439 0.911 20 5 HCBDRO CCOCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000540055154 1075551222 /nfs/dbraw/zinc/55/12/22/1075551222.db2.gz FTYHASPJCLAPSO-UHFFFAOYSA-N 1 0 414.484 0.396 20 5 HCBDRO Cc1n[nH]c(CCNc2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])n1 ZINC000540296240 1075607672 /nfs/dbraw/zinc/60/76/72/1075607672.db2.gz KPCCDOSSWIMUGG-UHFFFAOYSA-N 1 0 411.488 0.906 20 5 HCBDRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000540373751 1075640491 /nfs/dbraw/zinc/64/04/91/1075640491.db2.gz LSBVXQGBNOKRQI-UHFFFAOYSA-N 1 0 404.431 0.400 20 5 HCBDRO C[C@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000540376083 1075641348 /nfs/dbraw/zinc/64/13/48/1075641348.db2.gz AZGPDVOOEZHPAM-INIZCTEOSA-N 1 0 419.482 0.248 20 5 HCBDRO C[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000540376087 1075641329 /nfs/dbraw/zinc/64/13/29/1075641329.db2.gz AZGPDVOOEZHPAM-MRXNPFEDSA-N 1 0 419.482 0.248 20 5 HCBDRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000540413102 1075662918 /nfs/dbraw/zinc/66/29/18/1075662918.db2.gz VOBNPDAZCHKINV-CABCVRRESA-N 1 0 405.498 0.819 20 5 HCBDRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000540413104 1075663025 /nfs/dbraw/zinc/66/30/25/1075663025.db2.gz VOBNPDAZCHKINV-GJZGRUSLSA-N 1 0 405.498 0.819 20 5 HCBDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000540413106 1075663402 /nfs/dbraw/zinc/66/34/02/1075663402.db2.gz VOBNPDAZCHKINV-HUUCEWRRSA-N 1 0 405.498 0.819 20 5 HCBDRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000540413113 1075663528 /nfs/dbraw/zinc/66/35/28/1075663528.db2.gz VOBNPDAZCHKINV-LSDHHAIUSA-N 1 0 405.498 0.819 20 5 HCBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000540476006 1075680490 /nfs/dbraw/zinc/68/04/90/1075680490.db2.gz GZTIJTLBLCYWFG-DOTOQJQBSA-N 1 0 424.523 0.885 20 5 HCBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000540476008 1075680514 /nfs/dbraw/zinc/68/05/14/1075680514.db2.gz GZTIJTLBLCYWFG-NVXWUHKLSA-N 1 0 424.523 0.885 20 5 HCBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000540476009 1075680444 /nfs/dbraw/zinc/68/04/44/1075680444.db2.gz GZTIJTLBLCYWFG-RDJZCZTQSA-N 1 0 424.523 0.885 20 5 HCBDRO C[NH+](C)C1(CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000540524717 1075701478 /nfs/dbraw/zinc/70/14/78/1075701478.db2.gz KIBMBHICNYIEOR-UHFFFAOYSA-N 1 0 400.457 0.100 20 5 HCBDRO COCC[NH+]1CCC(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000540561255 1075716425 /nfs/dbraw/zinc/71/64/25/1075716425.db2.gz CVRFMQGFCXHXEG-UHFFFAOYSA-N 1 0 400.457 0.100 20 5 HCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000540726432 1075769425 /nfs/dbraw/zinc/76/94/25/1075769425.db2.gz VYCIPDFPTAYRDL-HNNXBMFYSA-N 1 0 419.482 0.749 20 5 HCBDRO CN(CCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cc[nH+]cc1 ZINC000540928761 1075804617 /nfs/dbraw/zinc/80/46/17/1075804617.db2.gz WNLLZMBKXGKOQX-UHFFFAOYSA-N 1 0 407.452 0.911 20 5 HCBDRO O=C(Nc1cnn(C[C@@H](O)C[NH+]2CCCC2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000541078990 1075839778 /nfs/dbraw/zinc/83/97/78/1075839778.db2.gz QJAXKTAPRLREJX-INIZCTEOSA-N 1 0 402.411 0.825 20 5 HCBDRO O=C(Nc1cnn(C[C@H](O)C[NH+]2CCCC2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000541078991 1075839960 /nfs/dbraw/zinc/83/99/60/1075839960.db2.gz QJAXKTAPRLREJX-MRXNPFEDSA-N 1 0 402.411 0.825 20 5 HCBDRO Cc1cc(C(=O)NCC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000541091682 1075841474 /nfs/dbraw/zinc/84/14/74/1075841474.db2.gz GZDJWVCGSLQBKP-KRWDZBQOSA-N 1 0 419.482 0.692 20 5 HCBDRO Cc1cc(C(=O)NCC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000541091683 1075841512 /nfs/dbraw/zinc/84/15/12/1075841512.db2.gz GZDJWVCGSLQBKP-QGZVFWFLSA-N 1 0 419.482 0.692 20 5 HCBDRO Cc1cc(C(=O)NCC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000541101223 1075842297 /nfs/dbraw/zinc/84/22/97/1075842297.db2.gz YOUHLQKUCZTHEX-UHFFFAOYSA-N 1 0 419.482 0.549 20 5 HCBDRO COc1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000541139451 1075846594 /nfs/dbraw/zinc/84/65/94/1075846594.db2.gz HEQHMBUXDPXHPI-UHFFFAOYSA-N 1 0 419.438 0.309 20 5 HCBDRO COc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000541143999 1075847767 /nfs/dbraw/zinc/84/77/67/1075847767.db2.gz NJQCRJSBESVXBW-AWEZNQCLSA-N 1 0 419.438 0.307 20 5 HCBDRO COc1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000541147582 1075851881 /nfs/dbraw/zinc/85/18/81/1075851881.db2.gz MWGZGSCXXGPQMA-INIZCTEOSA-N 1 0 407.471 0.930 20 5 HCBDRO COc1ccc(NC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000541147583 1075851952 /nfs/dbraw/zinc/85/19/52/1075851952.db2.gz MWGZGSCXXGPQMA-MRXNPFEDSA-N 1 0 407.471 0.930 20 5 HCBDRO COc1ccc(C(=O)NCC(=O)NCC2CC[NH+](CCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000541152752 1075849377 /nfs/dbraw/zinc/84/93/77/1075849377.db2.gz PAHSXXCSTFPSKE-UHFFFAOYSA-N 1 0 421.498 0.723 20 5 HCBDRO COC(=O)CN1CCC([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000541240310 1075862543 /nfs/dbraw/zinc/86/25/43/1075862543.db2.gz ZIIBHIDVOZKTRO-UHFFFAOYSA-N 1 0 400.457 0.100 20 5 HCBDRO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1([NH+](C)C)CCOCC1 ZINC000541328234 1075875662 /nfs/dbraw/zinc/87/56/62/1075875662.db2.gz DCWAPZWKEXYMAO-UHFFFAOYSA-N 1 0 401.441 0.771 20 5 HCBDRO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000541336000 1075874745 /nfs/dbraw/zinc/87/47/45/1075874745.db2.gz OUYGFNZJUFKNSC-AWEZNQCLSA-N 1 0 415.468 0.897 20 5 HCBDRO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000541336001 1075874789 /nfs/dbraw/zinc/87/47/89/1075874789.db2.gz OUYGFNZJUFKNSC-CQSZACIVSA-N 1 0 415.468 0.897 20 5 HCBDRO CCn1cc(S(=O)(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c([N+](=O)[O-])n1 ZINC000542763067 1080275894 /nfs/dbraw/zinc/27/58/94/1080275894.db2.gz ZQXRLKJBTYDOOJ-UHFFFAOYSA-N 1 0 414.532 0.849 20 5 HCBDRO CCn1cc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])n1 ZINC000542844608 1080354263 /nfs/dbraw/zinc/35/42/63/1080354263.db2.gz UWZFIHLGPIJQIN-HNNXBMFYSA-N 1 0 409.468 0.856 20 5 HCBDRO CCn1cc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])n1 ZINC000542844609 1080354038 /nfs/dbraw/zinc/35/40/38/1080354038.db2.gz UWZFIHLGPIJQIN-OAHLLOKOSA-N 1 0 409.468 0.856 20 5 HCBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000542996606 1080772404 /nfs/dbraw/zinc/77/24/04/1080772404.db2.gz WEWSGXDKDHTYPK-AWEZNQCLSA-N 1 0 407.471 0.932 20 5 HCBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000542996608 1080772465 /nfs/dbraw/zinc/77/24/65/1080772465.db2.gz WEWSGXDKDHTYPK-CQSZACIVSA-N 1 0 407.471 0.932 20 5 HCBDRO COc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000542996814 1080771522 /nfs/dbraw/zinc/77/15/22/1080771522.db2.gz GJOMXGQSCROZFY-AWEZNQCLSA-N 1 0 421.454 0.601 20 5 HCBDRO COc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000542996815 1080771590 /nfs/dbraw/zinc/77/15/90/1080771590.db2.gz GJOMXGQSCROZFY-CQSZACIVSA-N 1 0 421.454 0.601 20 5 HCBDRO Cc1cc(C(=O)NCC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000543009564 1080808187 /nfs/dbraw/zinc/80/81/87/1080808187.db2.gz BNXFSCYNBCOINP-UHFFFAOYSA-N 1 0 419.482 0.692 20 5 HCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000543010074 1080809899 /nfs/dbraw/zinc/80/98/99/1080809899.db2.gz RKJYZLIXGMNWAK-AWEZNQCLSA-N 1 0 407.471 0.475 20 5 HCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000543010075 1080809793 /nfs/dbraw/zinc/80/97/93/1080809793.db2.gz RKJYZLIXGMNWAK-CQSZACIVSA-N 1 0 407.471 0.475 20 5 HCBDRO COc1ccc(C(=O)NCC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000543010914 1080813767 /nfs/dbraw/zinc/81/37/67/1080813767.db2.gz ABRVXPKRFLNSFG-UHFFFAOYSA-N 1 0 421.498 0.818 20 5 HCBDRO Cc1cc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543033040 1080844000 /nfs/dbraw/zinc/84/40/00/1080844000.db2.gz VBPDOKRAUYKUNE-UHFFFAOYSA-N 1 0 413.434 0.959 20 5 HCBDRO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000543195624 1081037598 /nfs/dbraw/zinc/03/75/98/1081037598.db2.gz GTKRYRMCUWZEAS-GFCCVEGCSA-N 1 0 400.457 0.296 20 5 HCBDRO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000543195820 1081037731 /nfs/dbraw/zinc/03/77/31/1081037731.db2.gz PSKBZIVUEYPJFL-AWEZNQCLSA-N 1 0 415.468 0.753 20 5 HCBDRO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000543195822 1081037700 /nfs/dbraw/zinc/03/77/00/1081037700.db2.gz PSKBZIVUEYPJFL-CQSZACIVSA-N 1 0 415.468 0.753 20 5 HCBDRO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000543198477 1081040149 /nfs/dbraw/zinc/04/01/49/1081040149.db2.gz ROUJCZAIGBGMJH-UHFFFAOYSA-N 1 0 414.484 0.686 20 5 HCBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000543298299 1081100026 /nfs/dbraw/zinc/10/00/26/1081100026.db2.gz XXGYYTDDBNUFAN-UHFFFAOYSA-N 1 0 407.423 0.665 20 5 HCBDRO CCN1CCN(c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])CC1=O ZINC000543484242 1081252794 /nfs/dbraw/zinc/25/27/94/1081252794.db2.gz ZRRXTOVWWKVDGB-UHFFFAOYSA-N 1 0 413.500 0.493 20 5 HCBDRO CCn1cc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000549910613 1077258600 /nfs/dbraw/zinc/25/86/00/1077258600.db2.gz VTBJWXCXCFUCSM-UHFFFAOYSA-N 1 0 401.489 0.934 20 5 HCBDRO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000549977985 1077274967 /nfs/dbraw/zinc/27/49/67/1077274967.db2.gz AVVLEUIMWNDNIB-UHFFFAOYSA-N 1 0 404.471 0.627 20 5 HCBDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)C1=O ZINC000552247226 1079550921 /nfs/dbraw/zinc/55/09/21/1079550921.db2.gz GYGJXTCTVXTPOI-MRXNPFEDSA-N 1 0 403.439 0.136 20 5 HCBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1=O ZINC000552345318 1079574942 /nfs/dbraw/zinc/57/49/42/1079574942.db2.gz SNLVCGXTSBEXGW-ZDUSSCGKSA-N 1 0 403.439 0.985 20 5 HCBDRO O=C(CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCCCC1 ZINC000552355693 1079574726 /nfs/dbraw/zinc/57/47/26/1079574726.db2.gz BIUKFHJBBDSMIX-UHFFFAOYSA-N 1 0 405.455 0.433 20 5 HCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000552356828 1079574462 /nfs/dbraw/zinc/57/44/62/1079574462.db2.gz TUJXJFFYSQHOPS-HNNXBMFYSA-N 1 0 423.518 0.936 20 5 HCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000552356829 1079574847 /nfs/dbraw/zinc/57/48/47/1079574847.db2.gz TUJXJFFYSQHOPS-OAHLLOKOSA-N 1 0 423.518 0.936 20 5 HCBDRO CS[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C[C@@H]1[NH+](C)C ZINC000552531384 1079578748 /nfs/dbraw/zinc/57/87/48/1079578748.db2.gz YQMSAILKKPRVEX-KBPBESRZSA-N 1 0 402.498 0.668 20 5 HCBDRO CS[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C[C@H]1[NH+](C)C ZINC000552531385 1079578232 /nfs/dbraw/zinc/57/82/32/1079578232.db2.gz YQMSAILKKPRVEX-KGLIPLIRSA-N 1 0 402.498 0.668 20 5 HCBDRO CS[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C[C@@H]1[NH+](C)C ZINC000552531386 1079578144 /nfs/dbraw/zinc/57/81/44/1079578144.db2.gz YQMSAILKKPRVEX-UONOGXRCSA-N 1 0 402.498 0.668 20 5 HCBDRO CS[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C[C@H]1[NH+](C)C ZINC000552531387 1079578645 /nfs/dbraw/zinc/57/86/45/1079578645.db2.gz YQMSAILKKPRVEX-ZIAGYGMSSA-N 1 0 402.498 0.668 20 5 HCBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000552706202 1079584888 /nfs/dbraw/zinc/58/48/88/1079584888.db2.gz ANKNQTHTAUHOPM-INIZCTEOSA-N 1 0 418.498 0.875 20 5 HCBDRO CN(c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-])[C@@H]1CCN(C)C1=O ZINC000553261138 1080052231 /nfs/dbraw/zinc/05/22/31/1080052231.db2.gz OTTYZQRCIOJEKC-OAHLLOKOSA-N 1 0 413.500 0.492 20 5 HCBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C1 ZINC000553327837 1080058112 /nfs/dbraw/zinc/05/81/12/1080058112.db2.gz SYXNTLOPLDEUOJ-CQSZACIVSA-N 1 0 410.496 0.989 20 5 HCBDRO Cc1cc(C(=O)NCC(=O)NCC(=O)NCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000554459897 1080320471 /nfs/dbraw/zinc/32/04/71/1080320471.db2.gz WCHVQDHTRRGPOB-UHFFFAOYSA-N 1 0 419.482 0.741 20 5 HCBDRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1(C)C ZINC000554490463 1080321943 /nfs/dbraw/zinc/32/19/43/1080321943.db2.gz GNIXKXLUHYKFKE-UHFFFAOYSA-N 1 0 403.483 0.622 20 5 HCBDRO CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000554576905 1080321773 /nfs/dbraw/zinc/32/17/73/1080321773.db2.gz NTWQSDUNJNMROT-UHFFFAOYSA-N 1 0 402.455 0.407 20 5 HCBDRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000556172355 1078481846 /nfs/dbraw/zinc/48/18/46/1078481846.db2.gz WRBZJJYFAMULSQ-UHFFFAOYSA-N 1 0 403.483 0.623 20 5 HCBDRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCSC1 ZINC000556207511 1078527433 /nfs/dbraw/zinc/52/74/33/1078527433.db2.gz PMDPLKDJGLTQFN-SFHVURJKSA-N 1 0 422.511 0.192 20 5 HCBDRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCSC1 ZINC000556209475 1078533798 /nfs/dbraw/zinc/53/37/98/1078533798.db2.gz WQAXLEKADHHYSI-IBGZPJMESA-N 1 0 421.523 0.797 20 5 HCBDRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCSC1 ZINC000556209477 1078533972 /nfs/dbraw/zinc/53/39/72/1078533972.db2.gz WQAXLEKADHHYSI-LJQANCHMSA-N 1 0 421.523 0.797 20 5 HCBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000556239447 1078549378 /nfs/dbraw/zinc/54/93/78/1078549378.db2.gz CDZBJADNPVKMDL-HNNXBMFYSA-N 1 0 401.467 0.844 20 5 HCBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000556239448 1078549127 /nfs/dbraw/zinc/54/91/27/1078549127.db2.gz CDZBJADNPVKMDL-OAHLLOKOSA-N 1 0 401.467 0.844 20 5 HCBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000556366982 1078656964 /nfs/dbraw/zinc/65/69/64/1078656964.db2.gz XYEWXAWSSDFUDZ-CVEARBPZSA-N 1 0 401.467 0.986 20 5 HCBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000556366983 1078656892 /nfs/dbraw/zinc/65/68/92/1078656892.db2.gz XYEWXAWSSDFUDZ-HOTGVXAUSA-N 1 0 401.467 0.986 20 5 HCBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000556366984 1078656910 /nfs/dbraw/zinc/65/69/10/1078656910.db2.gz XYEWXAWSSDFUDZ-HZPDHXFCSA-N 1 0 401.467 0.986 20 5 HCBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000556366985 1078656947 /nfs/dbraw/zinc/65/69/47/1078656947.db2.gz XYEWXAWSSDFUDZ-JKSUJKDBSA-N 1 0 401.467 0.986 20 5 HCBDRO C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C[NH+]1CCCC1 ZINC000556369120 1078667289 /nfs/dbraw/zinc/66/72/89/1078667289.db2.gz PPWJTJWIRYGHBR-HNNXBMFYSA-N 1 0 404.471 0.487 20 5 HCBDRO C[C@H](CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C[NH+]1CCCC1 ZINC000556369121 1078667253 /nfs/dbraw/zinc/66/72/53/1078667253.db2.gz PPWJTJWIRYGHBR-OAHLLOKOSA-N 1 0 404.471 0.487 20 5 HCBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556541209 1078823474 /nfs/dbraw/zinc/82/34/74/1078823474.db2.gz PRDQUFRFRPKSJT-AWEZNQCLSA-N 1 0 403.233 0.725 20 5 HCBDRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556541216 1078823521 /nfs/dbraw/zinc/82/35/21/1078823521.db2.gz PRDQUFRFRPKSJT-CQSZACIVSA-N 1 0 403.233 0.725 20 5 HCBDRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000556565112 1078840011 /nfs/dbraw/zinc/84/00/11/1078840011.db2.gz ONUXHZBCDFKBDX-UHFFFAOYSA-N 1 0 415.244 0.869 20 5 HCBDRO C[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)NCC[NH+](C)C ZINC000556903595 1079028195 /nfs/dbraw/zinc/02/81/95/1079028195.db2.gz BHERFKKHFPQFIY-GFCCVEGCSA-N 1 0 407.427 0.465 20 5 HCBDRO C[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)NCC[NH+](C)C ZINC000556903596 1079028240 /nfs/dbraw/zinc/02/82/40/1079028240.db2.gz BHERFKKHFPQFIY-LBPRGKRZSA-N 1 0 407.427 0.465 20 5 HCBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1=O ZINC000556929076 1079037113 /nfs/dbraw/zinc/03/71/13/1079037113.db2.gz VDYGIJUKUWBAFQ-HNNXBMFYSA-N 1 0 408.455 0.821 20 5 HCBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1=O ZINC000556929077 1079037204 /nfs/dbraw/zinc/03/72/04/1079037204.db2.gz VDYGIJUKUWBAFQ-OAHLLOKOSA-N 1 0 408.455 0.821 20 5 HCBDRO C[NH+](C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)C[C@@H]1O ZINC000556975822 1079058853 /nfs/dbraw/zinc/05/88/53/1079058853.db2.gz KCXMSONHFYBPGJ-RYUDHWBXSA-N 1 0 405.192 0.946 20 5 HCBDRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000557036315 1079096398 /nfs/dbraw/zinc/09/63/98/1079096398.db2.gz LFKPPESUANNNDL-AWEZNQCLSA-N 1 0 412.468 0.196 20 5 HCBDRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000557036318 1079096382 /nfs/dbraw/zinc/09/63/82/1079096382.db2.gz LFKPPESUANNNDL-CQSZACIVSA-N 1 0 412.468 0.196 20 5 HCBDRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000557052791 1079102440 /nfs/dbraw/zinc/10/24/40/1079102440.db2.gz VYPDDPNHGZPTOR-UHFFFAOYSA-N 1 0 401.427 0.818 20 5 HCBDRO CCN(CC)C(=O)CN(C)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000603472524 1073524949 /nfs/dbraw/zinc/52/49/49/1073524949.db2.gz ZXDHINOPOUSEKI-UHFFFAOYSA-N 1 0 415.516 0.739 20 5 HCBDRO COC(=O)C1CCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000603472949 1073525548 /nfs/dbraw/zinc/52/55/48/1073525548.db2.gz KNGUVKXRVUGMSJ-UHFFFAOYSA-N 1 0 414.484 0.824 20 5 HCBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000603474339 1073525842 /nfs/dbraw/zinc/52/58/42/1073525842.db2.gz LZHCYTZRPVOEMG-CYBMUJFWSA-N 1 0 413.500 0.527 20 5 HCBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000603474340 1073525612 /nfs/dbraw/zinc/52/56/12/1073525612.db2.gz LZHCYTZRPVOEMG-ZDUSSCGKSA-N 1 0 413.500 0.527 20 5 HCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCCCN2CCCC2=O)c([N+](=O)[O-])c1 ZINC000603474876 1073525722 /nfs/dbraw/zinc/52/57/22/1073525722.db2.gz DRWWGJZZUMCQDI-UHFFFAOYSA-N 1 0 413.500 0.859 20 5 HCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1 ZINC000603475102 1073525660 /nfs/dbraw/zinc/52/56/60/1073525660.db2.gz CIFUHQWBZSBEFU-UHFFFAOYSA-N 1 0 415.516 0.569 20 5 HCBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000603475697 1073526691 /nfs/dbraw/zinc/52/66/91/1073526691.db2.gz GMYXPFBMFHOWCZ-UHFFFAOYSA-N 1 0 413.500 0.527 20 5 HCBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(NCCN2CCOCC2)c([N+](=O)[O-])c1 ZINC000603475725 1073526682 /nfs/dbraw/zinc/52/66/82/1073526682.db2.gz UMJFZXWVZRVRSL-UHFFFAOYSA-N 1 0 415.516 0.569 20 5 HCBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000603581906 1073571679 /nfs/dbraw/zinc/57/16/79/1073571679.db2.gz BNGINDFRJWPRRQ-GOSISDBHSA-N 1 0 420.514 0.585 20 5 HCBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000603581907 1073571888 /nfs/dbraw/zinc/57/18/88/1073571888.db2.gz BNGINDFRJWPRRQ-SFHVURJKSA-N 1 0 420.514 0.585 20 5 HCBDRO C[C@H]1C[NH+](CCCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000603586682 1073574255 /nfs/dbraw/zinc/57/42/55/1073574255.db2.gz XNPGXKYKQUIHPV-KBPBESRZSA-N 1 0 406.439 0.936 20 5 HCBDRO C[C@@H]1C[N@@H+](CCCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000603586683 1073574410 /nfs/dbraw/zinc/57/44/10/1073574410.db2.gz XNPGXKYKQUIHPV-OKILXGFUSA-N 1 0 406.439 0.936 20 5 HCBDRO C[C@@H]1C[NH+](CCCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000603586684 1073574489 /nfs/dbraw/zinc/57/44/89/1073574489.db2.gz XNPGXKYKQUIHPV-ZIAGYGMSSA-N 1 0 406.439 0.936 20 5 HCBDRO C[NH+](C)CC(=O)N1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000603593050 1073575983 /nfs/dbraw/zinc/57/59/83/1073575983.db2.gz WZZMNKGKWYKNCQ-UHFFFAOYSA-N 1 0 419.438 0.515 20 5 HCBDRO C[NH+](C)CC(=O)N1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000603596511 1073570666 /nfs/dbraw/zinc/57/06/66/1073570666.db2.gz SBEKPRXMBATWHV-UHFFFAOYSA-N 1 0 405.455 0.277 20 5 HCBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000603658399 1073590099 /nfs/dbraw/zinc/59/00/99/1073590099.db2.gz JXRRAYDRDGNRCF-UHFFFAOYSA-N 1 0 404.876 0.951 20 5 HCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000603716629 1073611070 /nfs/dbraw/zinc/61/10/70/1073611070.db2.gz ABKUQPFFUQKPKS-UHFFFAOYSA-N 1 0 405.455 0.935 20 5 HCBDRO Cc1ccc(NC(=O)C(=O)NCCCC[NH+]2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000603716656 1073610824 /nfs/dbraw/zinc/61/08/24/1073610824.db2.gz CNCQGJLHMBAZKP-UHFFFAOYSA-N 1 0 405.455 0.935 20 5 HCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000603716755 1073610799 /nfs/dbraw/zinc/61/07/99/1073610799.db2.gz NZEMMTGZDXPUNJ-UHFFFAOYSA-N 1 0 421.454 0.636 20 5 HCBDRO Cc1c(NC(=O)C(=O)NCCCC[NH+]2CCC(C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000603716842 1073610940 /nfs/dbraw/zinc/61/09/40/1073610940.db2.gz YZUQFXPMRWBMST-UHFFFAOYSA-N 1 0 405.455 0.935 20 5 HCBDRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000603805727 1073631469 /nfs/dbraw/zinc/63/14/69/1073631469.db2.gz ALZBOAYKKDRIJJ-UHFFFAOYSA-N 1 0 405.503 0.847 20 5 HCBDRO C[NH+](C)CCN1CCC(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000603808224 1073632361 /nfs/dbraw/zinc/63/23/61/1073632361.db2.gz BAFJWGLXZQZONC-UHFFFAOYSA-N 1 0 405.503 0.847 20 5 HCBDRO COc1ccc(C(=O)NCC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000603839673 1073637884 /nfs/dbraw/zinc/63/78/84/1073637884.db2.gz WXSDROHJURUIMZ-KBPBESRZSA-N 1 0 408.455 0.949 20 5 HCBDRO COc1ccc(C(=O)NCC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000603839674 1073637847 /nfs/dbraw/zinc/63/78/47/1073637847.db2.gz WXSDROHJURUIMZ-OKILXGFUSA-N 1 0 408.455 0.949 20 5 HCBDRO COc1ccc(C(=O)NCC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000603839675 1073637744 /nfs/dbraw/zinc/63/77/44/1073637744.db2.gz WXSDROHJURUIMZ-ZIAGYGMSSA-N 1 0 408.455 0.949 20 5 HCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000603856626 1073645865 /nfs/dbraw/zinc/64/58/65/1073645865.db2.gz NFTWPVNWVROYKI-UHFFFAOYSA-N 1 0 404.471 0.907 20 5 HCBDRO C[C@@H](CN1CCOCC1)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000603856981 1073645803 /nfs/dbraw/zinc/64/58/03/1073645803.db2.gz JLZAUCFUDHWITR-AWEZNQCLSA-N 1 0 415.516 0.567 20 5 HCBDRO C[C@H](CN1CCOCC1)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000603856982 1073645967 /nfs/dbraw/zinc/64/59/67/1073645967.db2.gz JLZAUCFUDHWITR-CQSZACIVSA-N 1 0 415.516 0.567 20 5 HCBDRO C[C@H](CN1CCCC1=O)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000603871646 1073648582 /nfs/dbraw/zinc/64/85/82/1073648582.db2.gz XLBCJOLEUDQDPF-CYBMUJFWSA-N 1 0 413.500 0.858 20 5 HCBDRO C[C@@H](CN1CCCC1=O)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000603871647 1073648873 /nfs/dbraw/zinc/64/88/73/1073648873.db2.gz XLBCJOLEUDQDPF-ZDUSSCGKSA-N 1 0 413.500 0.858 20 5 HCBDRO COc1ccc(C(=O)NCC(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000603907175 1073661701 /nfs/dbraw/zinc/66/17/01/1073661701.db2.gz XMLIIQTZRDWNIO-UHFFFAOYSA-N 1 0 420.466 0.904 20 5 HCBDRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000604142334 1073710303 /nfs/dbraw/zinc/71/03/03/1073710303.db2.gz JDYZVOIDXJSXHY-UHFFFAOYSA-N 1 0 415.397 0.888 20 5 HCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000604160908 1073716615 /nfs/dbraw/zinc/71/66/15/1073716615.db2.gz KXUPDBCLXQQJCG-UHFFFAOYSA-N 1 0 405.455 0.782 20 5 HCBDRO C[NH+]1CCN(CCCNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604436898 1073807059 /nfs/dbraw/zinc/80/70/59/1073807059.db2.gz RURDDJVWWYBENQ-UHFFFAOYSA-N 1 0 413.500 0.017 20 5 HCBDRO C[NH+](C)CC(=O)N1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000604437123 1073807068 /nfs/dbraw/zinc/80/70/68/1073807068.db2.gz UNJDLTFAKWMBGM-UHFFFAOYSA-N 1 0 409.468 0.018 20 5 HCBDRO CN1CC[NH+](CCCCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000604438706 1073807113 /nfs/dbraw/zinc/80/71/13/1073807113.db2.gz MDPZTGOBUMTEQP-UHFFFAOYSA-N 1 0 403.439 0.335 20 5 HCBDRO COCCC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000604468725 1073807937 /nfs/dbraw/zinc/80/79/37/1073807937.db2.gz SLRCHAJCBCAEJE-UHFFFAOYSA-N 1 0 414.484 0.396 20 5 HCBDRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C3([NH3+])CCCC3)CC2)cc1[N+](=O)[O-] ZINC000604496059 1073812449 /nfs/dbraw/zinc/81/24/49/1073812449.db2.gz LXTGJRZXIPMSAI-UHFFFAOYSA-N 1 0 412.468 0.708 20 5 HCBDRO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]([NH3+])CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000604496074 1073812365 /nfs/dbraw/zinc/81/23/65/1073812365.db2.gz OQVLEYBXFQWDDQ-CQSZACIVSA-N 1 0 414.484 0.810 20 5 HCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCC(=O)NC2CCCC2)c([N+](=O)[O-])c1 ZINC000604501982 1073813278 /nfs/dbraw/zinc/81/32/78/1073813278.db2.gz GGPZCCSSBBCTMP-UHFFFAOYSA-N 1 0 413.500 0.905 20 5 HCBDRO C[NH+](C)CCn1cc(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000604511248 1073813742 /nfs/dbraw/zinc/81/37/42/1073813742.db2.gz LYMONRXACCSXRH-UHFFFAOYSA-N 1 0 410.456 0.660 20 5 HCBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604526733 1073814999 /nfs/dbraw/zinc/81/49/99/1073814999.db2.gz JGZKIQFQRSDJFZ-INIZCTEOSA-N 1 0 403.439 0.265 20 5 HCBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604526734 1073814514 /nfs/dbraw/zinc/81/45/14/1073814514.db2.gz JGZKIQFQRSDJFZ-MRXNPFEDSA-N 1 0 403.439 0.265 20 5 HCBDRO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000604573331 1073818140 /nfs/dbraw/zinc/81/81/40/1073818140.db2.gz IPILPALCHZXDFQ-AWEZNQCLSA-N 1 0 416.434 0.904 20 5 HCBDRO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000604573332 1073818213 /nfs/dbraw/zinc/81/82/13/1073818213.db2.gz IPILPALCHZXDFQ-CQSZACIVSA-N 1 0 416.434 0.904 20 5 HCBDRO CC(C)[N@H+](C)CCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000608795338 1074507521 /nfs/dbraw/zinc/50/75/21/1074507521.db2.gz OWROSJFRUWNIIR-UHFFFAOYSA-N 1 0 413.500 0.951 20 5 HCBDRO Cc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000608798450 1074507939 /nfs/dbraw/zinc/50/79/39/1074507939.db2.gz JLDLWCWUFWEICG-HNNXBMFYSA-N 1 0 405.455 0.901 20 5 HCBDRO Cc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000608798451 1074508465 /nfs/dbraw/zinc/50/84/65/1074508465.db2.gz JLDLWCWUFWEICG-OAHLLOKOSA-N 1 0 405.455 0.901 20 5 HCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000608799806 1074505503 /nfs/dbraw/zinc/50/55/03/1074505503.db2.gz KCZDPXQFNZIOFO-CXAGYDPISA-N 1 0 417.466 0.654 20 5 HCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000608799807 1074505631 /nfs/dbraw/zinc/50/56/31/1074505631.db2.gz KCZDPXQFNZIOFO-DYVFJYSZSA-N 1 0 417.466 0.654 20 5 HCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000608799808 1074505364 /nfs/dbraw/zinc/50/53/64/1074505364.db2.gz KCZDPXQFNZIOFO-GUYCJALGSA-N 1 0 417.466 0.654 20 5 HCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000608799809 1074505541 /nfs/dbraw/zinc/50/55/41/1074505541.db2.gz KCZDPXQFNZIOFO-SUMWQHHRSA-N 1 0 417.466 0.654 20 5 HCBDRO CC[N@H+](CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000608842140 1074510182 /nfs/dbraw/zinc/51/01/82/1074510182.db2.gz KBYPVXSSHSQGCJ-UHFFFAOYSA-N 1 0 401.489 0.903 20 5 HCBDRO CC[N@H+](CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000608842190 1074510358 /nfs/dbraw/zinc/51/03/58/1074510358.db2.gz KRVUTMGABGFETQ-UHFFFAOYSA-N 1 0 401.489 0.903 20 5 HCBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000608861192 1074516946 /nfs/dbraw/zinc/51/69/46/1074516946.db2.gz CQSCAWSBXARXIJ-KRWDZBQOSA-N 1 0 417.466 0.655 20 5 HCBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000608861193 1074516659 /nfs/dbraw/zinc/51/66/59/1074516659.db2.gz CQSCAWSBXARXIJ-QGZVFWFLSA-N 1 0 417.466 0.655 20 5 HCBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000608861286 1074517009 /nfs/dbraw/zinc/51/70/09/1074517009.db2.gz LOZDDOSDXJGBFL-AWEZNQCLSA-N 1 0 404.423 0.920 20 5 HCBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000608861287 1074516778 /nfs/dbraw/zinc/51/67/78/1074516778.db2.gz LOZDDOSDXJGBFL-CQSZACIVSA-N 1 0 404.423 0.920 20 5 HCBDRO COc1cc(OCC(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000608861362 1074517047 /nfs/dbraw/zinc/51/70/47/1074517047.db2.gz PTKVQPCGVQAFJA-INIZCTEOSA-N 1 0 406.439 0.923 20 5 HCBDRO COc1cc(OCC(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000608861363 1074516755 /nfs/dbraw/zinc/51/67/55/1074516755.db2.gz PTKVQPCGVQAFJA-MRXNPFEDSA-N 1 0 406.439 0.923 20 5 HCBDRO COC(=O)c1cc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc([N+](=O)[O-])c1 ZINC000608861410 1074516856 /nfs/dbraw/zinc/51/68/56/1074516856.db2.gz TUMBWAGHIYGLHT-INIZCTEOSA-N 1 0 404.423 0.936 20 5 HCBDRO COC(=O)c1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc([N+](=O)[O-])c1 ZINC000608861411 1074516687 /nfs/dbraw/zinc/51/66/87/1074516687.db2.gz TUMBWAGHIYGLHT-MRXNPFEDSA-N 1 0 404.423 0.936 20 5 HCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000608866062 1074513237 /nfs/dbraw/zinc/51/32/37/1074513237.db2.gz ZRXYLQOBPUSOPM-CYBMUJFWSA-N 1 0 419.438 0.024 20 5 HCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000608866063 1074512998 /nfs/dbraw/zinc/51/29/98/1074512998.db2.gz ZRXYLQOBPUSOPM-ZDUSSCGKSA-N 1 0 419.438 0.024 20 5 HCBDRO C[NH+](C)CCn1cc(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000608878954 1074514907 /nfs/dbraw/zinc/51/49/07/1074514907.db2.gz NGGDIHUYSDUKGU-UHFFFAOYSA-N 1 0 410.456 0.660 20 5 HCBDRO COCC[N@H+](C)CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000608885660 1074520875 /nfs/dbraw/zinc/52/08/75/1074520875.db2.gz GAYABZIUYYPEPN-UHFFFAOYSA-N 1 0 402.473 0.606 20 5 HCBDRO COCC[N@H+](C)CCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000608885874 1074520820 /nfs/dbraw/zinc/52/08/20/1074520820.db2.gz UQLBIRKMEPQZIW-UHFFFAOYSA-N 1 0 415.516 0.521 20 5 HCBDRO COCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000608885951 1074520737 /nfs/dbraw/zinc/52/07/37/1074520737.db2.gz XPERVNAEORUSJX-UHFFFAOYSA-N 1 0 402.473 0.606 20 5 HCBDRO COCCC[NH+]1CCC(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000608891583 1074521295 /nfs/dbraw/zinc/52/12/95/1074521295.db2.gz WWXNBMOCVUABIO-UHFFFAOYSA-N 1 0 406.439 0.937 20 5 HCBDRO COCC[N@H+](C)CCNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000608891614 1074521370 /nfs/dbraw/zinc/52/13/70/1074521370.db2.gz ZXGWCSHWGRINLB-UHFFFAOYSA-N 1 0 407.471 0.571 20 5 HCBDRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+]C(C)C)CC2)cc1[N+](=O)[O-] ZINC000608895630 1074521782 /nfs/dbraw/zinc/52/17/82/1074521782.db2.gz GPAHATSGINZWSN-UHFFFAOYSA-N 1 0 400.457 0.434 20 5 HCBDRO COCCC[NH+]1CCC(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000608904464 1074517448 /nfs/dbraw/zinc/51/74/48/1074517448.db2.gz YHNXFVFWEBJHLT-UHFFFAOYSA-N 1 0 404.423 0.808 20 5 HCBDRO Cc1nc2n(n1)C[C@H](Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])CC2 ZINC000608909476 1074518625 /nfs/dbraw/zinc/51/86/25/1074518625.db2.gz SDAKQZPRACPBFN-CYBMUJFWSA-N 1 0 423.499 0.762 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000608917912 1074524798 /nfs/dbraw/zinc/52/47/98/1074524798.db2.gz BTFXOBGRYFBYGU-HNNXBMFYSA-N 1 0 411.484 0.753 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000608917913 1074524706 /nfs/dbraw/zinc/52/47/06/1074524706.db2.gz BTFXOBGRYFBYGU-OAHLLOKOSA-N 1 0 411.484 0.753 20 5 HCBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000608918057 1074524591 /nfs/dbraw/zinc/52/45/91/1074524591.db2.gz JRXDCIUGLZTCCG-CYBMUJFWSA-N 1 0 401.489 0.903 20 5 HCBDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000608918058 1074524824 /nfs/dbraw/zinc/52/48/24/1074524824.db2.gz JRXDCIUGLZTCCG-ZDUSSCGKSA-N 1 0 401.489 0.903 20 5 HCBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000608918090 1074524774 /nfs/dbraw/zinc/52/47/74/1074524774.db2.gz KXAGIOAPPLUPEU-CYBMUJFWSA-N 1 0 401.489 0.903 20 5 HCBDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000608918091 1074524674 /nfs/dbraw/zinc/52/46/74/1074524674.db2.gz KXAGIOAPPLUPEU-ZDUSSCGKSA-N 1 0 401.489 0.903 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000608918428 1074524579 /nfs/dbraw/zinc/52/45/79/1074524579.db2.gz VTQPTYWFKWOKMF-HNNXBMFYSA-N 1 0 411.484 0.753 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000608918430 1074524719 /nfs/dbraw/zinc/52/47/19/1074524719.db2.gz VTQPTYWFKWOKMF-OAHLLOKOSA-N 1 0 411.484 0.753 20 5 HCBDRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000608947411 1074524173 /nfs/dbraw/zinc/52/41/73/1074524173.db2.gz VTICLGBAHLUZEE-UHFFFAOYSA-N 1 0 401.423 0.364 20 5 HCBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000608986741 1074531181 /nfs/dbraw/zinc/53/11/81/1074531181.db2.gz MRLCLRUUNHDVEQ-HNNXBMFYSA-N 1 0 404.423 0.920 20 5 HCBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000608986742 1074531259 /nfs/dbraw/zinc/53/12/59/1074531259.db2.gz MRLCLRUUNHDVEQ-OAHLLOKOSA-N 1 0 404.423 0.920 20 5 HCBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609045851 1074534529 /nfs/dbraw/zinc/53/45/29/1074534529.db2.gz VHBHYRQKHDMHBL-HNNXBMFYSA-N 1 0 414.484 0.490 20 5 HCBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609045853 1074534710 /nfs/dbraw/zinc/53/47/10/1074534710.db2.gz VHBHYRQKHDMHBL-OAHLLOKOSA-N 1 0 414.484 0.490 20 5 HCBDRO CC(C)[N@@H+]1CCCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609049462 1074535360 /nfs/dbraw/zinc/53/53/60/1074535360.db2.gz PLWWEVPWGQFTOH-UHFFFAOYSA-N 1 0 413.500 0.999 20 5 HCBDRO CC(C)[N@@H+]1CCCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609049605 1074535260 /nfs/dbraw/zinc/53/52/60/1074535260.db2.gz DJGWBCDOISKGOR-UHFFFAOYSA-N 1 0 413.500 0.999 20 5 HCBDRO NC(=O)c1ccc(SCC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000609077570 1074813283 /nfs/dbraw/zinc/81/32/83/1074813283.db2.gz FFYLVFBLEYSRCZ-CYBMUJFWSA-N 1 0 423.495 0.489 20 5 HCBDRO NC(=O)c1ccc(SCC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000609077571 1074813187 /nfs/dbraw/zinc/81/31/87/1074813187.db2.gz FFYLVFBLEYSRCZ-ZDUSSCGKSA-N 1 0 423.495 0.489 20 5 HCBDRO CS(=O)(=O)c1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc([N+](=O)[O-])c1 ZINC000609077583 1074813310 /nfs/dbraw/zinc/81/33/10/1074813310.db2.gz XVUZWYNBNHOWDX-GFCCVEGCSA-N 1 0 412.468 0.316 20 5 HCBDRO CS(=O)(=O)c1cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc([N+](=O)[O-])c1 ZINC000609077585 1074813243 /nfs/dbraw/zinc/81/32/43/1074813243.db2.gz XVUZWYNBNHOWDX-LBPRGKRZSA-N 1 0 412.468 0.316 20 5 HCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609077634 1074813233 /nfs/dbraw/zinc/81/32/33/1074813233.db2.gz IFVMCBSEAPJNJN-HNNXBMFYSA-N 1 0 405.455 0.418 20 5 HCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609077635 1074813327 /nfs/dbraw/zinc/81/33/27/1074813327.db2.gz IFVMCBSEAPJNJN-OAHLLOKOSA-N 1 0 405.455 0.418 20 5 HCBDRO COc1ccc(C(=O)NCC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000609077640 1074813178 /nfs/dbraw/zinc/81/31/78/1074813178.db2.gz IQYASBORJFMHSV-AWEZNQCLSA-N 1 0 421.454 0.037 20 5 HCBDRO COc1ccc(C(=O)NCC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000609077641 1074813262 /nfs/dbraw/zinc/81/32/62/1074813262.db2.gz IQYASBORJFMHSV-CQSZACIVSA-N 1 0 421.454 0.037 20 5 HCBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609154142 1077264120 /nfs/dbraw/zinc/26/41/20/1077264120.db2.gz ZAPAWNRDQXVXKJ-CYBMUJFWSA-N 1 0 413.500 0.987 20 5 HCBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609154150 1077271599 /nfs/dbraw/zinc/27/15/99/1077271599.db2.gz ZAPAWNRDQXVXKJ-ZDUSSCGKSA-N 1 0 413.500 0.987 20 5 HCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000609157592 1077293509 /nfs/dbraw/zinc/29/35/09/1077293509.db2.gz IJPKTZFQZARYJF-MRXNPFEDSA-N 1 0 405.455 0.956 20 5 HCBDRO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000609159128 1077294627 /nfs/dbraw/zinc/29/46/27/1077294627.db2.gz WQWRCYNYRHWBQG-CYBMUJFWSA-N 1 0 412.468 0.388 20 5 HCBDRO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000609159129 1077294536 /nfs/dbraw/zinc/29/45/36/1077294536.db2.gz WQWRCYNYRHWBQG-ZDUSSCGKSA-N 1 0 412.468 0.388 20 5 HCBDRO CN1CC[NH+](CCCCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609163498 1077406581 /nfs/dbraw/zinc/40/65/81/1077406581.db2.gz HVKZDGZWRJVAET-UHFFFAOYSA-N 1 0 406.487 0.538 20 5 HCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000609176629 1077447453 /nfs/dbraw/zinc/44/74/53/1077447453.db2.gz MVRLDQNRQFQXOZ-UHFFFAOYSA-N 1 0 402.459 0.690 20 5 HCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000609176710 1077447424 /nfs/dbraw/zinc/44/74/24/1077447424.db2.gz NODFPPNJOMGPQW-UHFFFAOYSA-N 1 0 416.486 0.998 20 5 HCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000609176721 1077447387 /nfs/dbraw/zinc/44/73/87/1077447387.db2.gz NYHREUNYEKKVAN-UHFFFAOYSA-N 1 0 415.454 0.265 20 5 HCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000609177398 1077449021 /nfs/dbraw/zinc/44/90/21/1077449021.db2.gz ZOEJBBWGPVDQAQ-UHFFFAOYSA-N 1 0 402.459 0.608 20 5 HCBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000609187956 1077458593 /nfs/dbraw/zinc/45/85/93/1077458593.db2.gz SURUUZCLFQIRTP-KRWDZBQOSA-N 1 0 407.471 0.963 20 5 HCBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000609187957 1077458801 /nfs/dbraw/zinc/45/88/01/1077458801.db2.gz SURUUZCLFQIRTP-QGZVFWFLSA-N 1 0 407.471 0.963 20 5 HCBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000609187979 1077458458 /nfs/dbraw/zinc/45/84/58/1077458458.db2.gz XDFDGLXTBIVUEV-HNNXBMFYSA-N 1 0 406.439 0.889 20 5 HCBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000609187980 1077458526 /nfs/dbraw/zinc/45/85/26/1077458526.db2.gz XDFDGLXTBIVUEV-OAHLLOKOSA-N 1 0 406.439 0.889 20 5 HCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000609199641 1077532210 /nfs/dbraw/zinc/53/22/10/1077532210.db2.gz DULWKWLLECERKA-HNNXBMFYSA-N 1 0 419.486 0.409 20 5 HCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000609199646 1077532156 /nfs/dbraw/zinc/53/21/56/1077532156.db2.gz DULWKWLLECERKA-OAHLLOKOSA-N 1 0 419.486 0.409 20 5 HCBDRO Cn1cc(C[NH2+]CCN2CCN(S(C)(=O)=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609222601 1077914145 /nfs/dbraw/zinc/91/41/45/1077914145.db2.gz SVWYGUARWUKFKO-UHFFFAOYSA-N 1 0 422.511 0.662 20 5 HCBDRO COCC[N@@H+]1CCC[C@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609269401 1078355622 /nfs/dbraw/zinc/35/56/22/1078355622.db2.gz POAFWETURMETMT-AWEZNQCLSA-N 1 0 414.484 0.490 20 5 HCBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609269402 1078355840 /nfs/dbraw/zinc/35/58/40/1078355840.db2.gz POAFWETURMETMT-CQSZACIVSA-N 1 0 414.484 0.490 20 5 HCBDRO COCC[N@@H+]1CCC[C@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609269775 1078353954 /nfs/dbraw/zinc/35/39/54/1078353954.db2.gz WNQOGACYORDSRX-AWEZNQCLSA-N 1 0 414.484 0.490 20 5 HCBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609269777 1078354122 /nfs/dbraw/zinc/35/41/22/1078354122.db2.gz WNQOGACYORDSRX-CQSZACIVSA-N 1 0 414.484 0.490 20 5 HCBDRO CC(C)(O)C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609284672 1078563383 /nfs/dbraw/zinc/56/33/83/1078563383.db2.gz QFXSKQLTQRVGII-UHFFFAOYSA-N 1 0 414.484 0.178 20 5 HCBDRO NC(=O)c1ccc(SCC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000609284916 1078555992 /nfs/dbraw/zinc/55/59/92/1078555992.db2.gz AALRQMYEFQJAEA-UKRRQHHQSA-N 1 0 408.480 0.843 20 5 HCBDRO O=C(NCC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000609285011 1078556270 /nfs/dbraw/zinc/55/62/70/1078556270.db2.gz CGVSESSEDWBPJH-IAGOWNOFSA-N 1 0 405.455 0.452 20 5 HCBDRO O=C(NCC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000609285013 1078556410 /nfs/dbraw/zinc/55/64/10/1078556410.db2.gz CGVSESSEDWBPJH-IRXDYDNUSA-N 1 0 405.455 0.452 20 5 HCBDRO O=C(NCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000609285015 1078557222 /nfs/dbraw/zinc/55/72/22/1078557222.db2.gz CGVSESSEDWBPJH-SJORKVTESA-N 1 0 405.455 0.452 20 5 HCBDRO COc1ccc(C(=O)NCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000609285218 1078550270 /nfs/dbraw/zinc/55/02/70/1078550270.db2.gz SUBPQNPAOGRQLH-GDBMZVCRSA-N 1 0 406.439 0.391 20 5 HCBDRO COc1ccc(C(=O)NCC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000609285223 1078549712 /nfs/dbraw/zinc/54/97/12/1078549712.db2.gz SUBPQNPAOGRQLH-GOEBONIOSA-N 1 0 406.439 0.391 20 5 HCBDRO COc1ccc(C(=O)NCC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000609285224 1078549738 /nfs/dbraw/zinc/54/97/38/1078549738.db2.gz SUBPQNPAOGRQLH-HOCLYGCPSA-N 1 0 406.439 0.391 20 5 HCBDRO COc1ccc(C(=O)NCC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000609285225 1078549806 /nfs/dbraw/zinc/54/98/06/1078549806.db2.gz SUBPQNPAOGRQLH-ZBFHGGJFSA-N 1 0 406.439 0.391 20 5 HCBDRO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000609285497 1078604954 /nfs/dbraw/zinc/60/49/54/1078604954.db2.gz KBBKPNKEBAMHCG-DZGCQCFKSA-N 1 0 402.407 0.248 20 5 HCBDRO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000609285498 1078605275 /nfs/dbraw/zinc/60/52/75/1078605275.db2.gz KBBKPNKEBAMHCG-HIFRSBDPSA-N 1 0 402.407 0.248 20 5 HCBDRO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000609285501 1078605285 /nfs/dbraw/zinc/60/52/85/1078605285.db2.gz KBBKPNKEBAMHCG-UKRRQHHQSA-N 1 0 402.407 0.248 20 5 HCBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000609286122 1078573495 /nfs/dbraw/zinc/57/34/95/1078573495.db2.gz YDTMGVDFMUHHEJ-GDBMZVCRSA-N 1 0 404.423 0.378 20 5 HCBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000609286124 1078584267 /nfs/dbraw/zinc/58/42/67/1078584267.db2.gz YDTMGVDFMUHHEJ-GOEBONIOSA-N 1 0 404.423 0.378 20 5 HCBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000609286125 1078584841 /nfs/dbraw/zinc/58/48/41/1078584841.db2.gz YDTMGVDFMUHHEJ-HOCLYGCPSA-N 1 0 404.423 0.378 20 5 HCBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000609286126 1078578057 /nfs/dbraw/zinc/57/80/57/1078578057.db2.gz YDTMGVDFMUHHEJ-ZBFHGGJFSA-N 1 0 404.423 0.378 20 5 HCBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609311463 1079126416 /nfs/dbraw/zinc/12/64/16/1079126416.db2.gz HNERRNMSJFQZFV-AWEZNQCLSA-N 1 0 413.500 0.015 20 5 HCBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609311464 1079126451 /nfs/dbraw/zinc/12/64/51/1079126451.db2.gz HNERRNMSJFQZFV-CQSZACIVSA-N 1 0 413.500 0.015 20 5 HCBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)CC1 ZINC000609321281 1079211317 /nfs/dbraw/zinc/21/13/17/1079211317.db2.gz YUQQYQKYCPXODC-OAHLLOKOSA-N 1 0 405.455 0.780 20 5 HCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609347386 1079246518 /nfs/dbraw/zinc/24/65/18/1079246518.db2.gz CIRKCJAQQGAHFE-CYBMUJFWSA-N 1 0 400.457 0.100 20 5 HCBDRO COCC[N@@H+]1CC[C@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609347387 1079246402 /nfs/dbraw/zinc/24/64/02/1079246402.db2.gz CIRKCJAQQGAHFE-ZDUSSCGKSA-N 1 0 400.457 0.100 20 5 HCBDRO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000609352018 1079248290 /nfs/dbraw/zinc/24/82/90/1079248290.db2.gz KAVWNDYGHSDJQR-HNNXBMFYSA-N 1 0 401.427 0.554 20 5 HCBDRO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000609352019 1079248481 /nfs/dbraw/zinc/24/84/81/1079248481.db2.gz KAVWNDYGHSDJQR-OAHLLOKOSA-N 1 0 401.427 0.554 20 5 HCBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000609352136 1079248687 /nfs/dbraw/zinc/24/86/87/1079248687.db2.gz NHDIDEJYXKIBIF-HNNXBMFYSA-N 1 0 419.438 0.739 20 5 HCBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000609352142 1079248528 /nfs/dbraw/zinc/24/85/28/1079248528.db2.gz NHDIDEJYXKIBIF-OAHLLOKOSA-N 1 0 419.438 0.739 20 5 HCBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000609355259 1079249131 /nfs/dbraw/zinc/24/91/31/1079249131.db2.gz UVBZPZOUJZJFHK-KRWDZBQOSA-N 1 0 404.471 0.766 20 5 HCBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000609355260 1079249227 /nfs/dbraw/zinc/24/92/27/1079249227.db2.gz UVBZPZOUJZJFHK-QGZVFWFLSA-N 1 0 404.471 0.766 20 5 HCBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609380203 1079254486 /nfs/dbraw/zinc/25/44/86/1079254486.db2.gz JHEVMVYRFMKENS-HNNXBMFYSA-N 1 0 414.484 0.490 20 5 HCBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609380204 1079254579 /nfs/dbraw/zinc/25/45/79/1079254579.db2.gz JHEVMVYRFMKENS-OAHLLOKOSA-N 1 0 414.484 0.490 20 5 HCBDRO NS(=O)(=O)c1ccc(NCCC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000609383027 1079255366 /nfs/dbraw/zinc/25/53/66/1079255366.db2.gz IDWPIDJOLZZSFL-CYBMUJFWSA-N 1 0 411.484 0.645 20 5 HCBDRO NS(=O)(=O)c1ccc(NCCC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000609383028 1079255659 /nfs/dbraw/zinc/25/56/59/1079255659.db2.gz IDWPIDJOLZZSFL-ZDUSSCGKSA-N 1 0 411.484 0.645 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609399567 1079257166 /nfs/dbraw/zinc/25/71/66/1079257166.db2.gz HQIPGMPUTYODKR-AWEZNQCLSA-N 1 0 411.484 0.657 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609399568 1079257358 /nfs/dbraw/zinc/25/73/58/1079257358.db2.gz HQIPGMPUTYODKR-CQSZACIVSA-N 1 0 411.484 0.657 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609399719 1079257213 /nfs/dbraw/zinc/25/72/13/1079257213.db2.gz KYPJRFLKGAJNJE-AWEZNQCLSA-N 1 0 411.484 0.657 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609399720 1079257297 /nfs/dbraw/zinc/25/72/97/1079257297.db2.gz KYPJRFLKGAJNJE-CQSZACIVSA-N 1 0 411.484 0.657 20 5 HCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000609443242 1079263786 /nfs/dbraw/zinc/26/37/86/1079263786.db2.gz SBVPFCSHSGVDHW-CYBMUJFWSA-N 1 0 401.427 0.493 20 5 HCBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000609443273 1079263644 /nfs/dbraw/zinc/26/36/44/1079263644.db2.gz MWWGCHNSWWCVQW-KRWDZBQOSA-N 1 0 413.438 0.730 20 5 HCBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000609443274 1079263682 /nfs/dbraw/zinc/26/36/82/1079263682.db2.gz MWWGCHNSWWCVQW-QGZVFWFLSA-N 1 0 413.438 0.730 20 5 HCBDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000609448606 1079265345 /nfs/dbraw/zinc/26/53/45/1079265345.db2.gz OHYKFFIWVKWGMG-UHFFFAOYSA-N 1 0 415.454 0.848 20 5 HCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000609448785 1079265439 /nfs/dbraw/zinc/26/54/39/1079265439.db2.gz ZRDXQKQDRVRSLH-AWEZNQCLSA-N 1 0 419.482 0.772 20 5 HCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000609448786 1079265365 /nfs/dbraw/zinc/26/53/65/1079265365.db2.gz ZRDXQKQDRVRSLH-CQSZACIVSA-N 1 0 419.482 0.772 20 5 HCBDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609479040 1079273646 /nfs/dbraw/zinc/27/36/46/1079273646.db2.gz WIPKRLFBQYGHQI-UHFFFAOYSA-N 1 0 405.455 0.384 20 5 HCBDRO CC(=O)N1CCN(c2ccc(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)cc2[N+](=O)[O-])CC1 ZINC000609489206 1079275471 /nfs/dbraw/zinc/27/54/71/1079275471.db2.gz XBUCJNNHTDXDHY-KRWDZBQOSA-N 1 0 418.498 0.239 20 5 HCBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000609517184 1079279316 /nfs/dbraw/zinc/27/93/16/1079279316.db2.gz XPHANUCYZMTHAM-AWEZNQCLSA-N 1 0 413.500 0.273 20 5 HCBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000609517186 1079279870 /nfs/dbraw/zinc/27/98/70/1079279870.db2.gz XPHANUCYZMTHAM-CQSZACIVSA-N 1 0 413.500 0.273 20 5 HCBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000609519183 1079280670 /nfs/dbraw/zinc/28/06/70/1079280670.db2.gz IOKIJHYMKHXKCO-ILXRZTDVSA-N 1 0 406.439 0.850 20 5 HCBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000609519184 1079280709 /nfs/dbraw/zinc/28/07/09/1079280709.db2.gz IOKIJHYMKHXKCO-KKUMJFAQSA-N 1 0 406.439 0.850 20 5 HCBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000609519185 1079280807 /nfs/dbraw/zinc/28/08/07/1079280807.db2.gz IOKIJHYMKHXKCO-QLFBSQMISA-N 1 0 406.439 0.850 20 5 HCBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000609519186 1079280856 /nfs/dbraw/zinc/28/08/56/1079280856.db2.gz IOKIJHYMKHXKCO-SOUVJXGZSA-N 1 0 406.439 0.850 20 5 HCBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000609522988 1079282327 /nfs/dbraw/zinc/28/23/27/1079282327.db2.gz YETNIPNAHSWMKP-CHWSQXEVSA-N 1 0 407.427 0.248 20 5 HCBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000609522989 1079282199 /nfs/dbraw/zinc/28/21/99/1079282199.db2.gz YETNIPNAHSWMKP-OLZOCXBDSA-N 1 0 407.427 0.248 20 5 HCBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000609522990 1079282237 /nfs/dbraw/zinc/28/22/37/1079282237.db2.gz YETNIPNAHSWMKP-QWHCGFSZSA-N 1 0 407.427 0.248 20 5 HCBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000609522991 1079282707 /nfs/dbraw/zinc/28/27/07/1079282707.db2.gz YETNIPNAHSWMKP-STQMWFEESA-N 1 0 407.427 0.248 20 5 HCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000609524466 1079282865 /nfs/dbraw/zinc/28/28/65/1079282865.db2.gz NXSUPJVTONQDBR-UHFFFAOYSA-N 1 0 400.439 0.933 20 5 HCBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000609525976 1079283260 /nfs/dbraw/zinc/28/32/60/1079283260.db2.gz CUAQQOGKCNHRKD-UHFFFAOYSA-N 1 0 409.512 0.882 20 5 HCBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000609526071 1079283400 /nfs/dbraw/zinc/28/34/00/1079283400.db2.gz NKQOZXADVHKFQZ-OAHLLOKOSA-N 1 0 407.471 0.888 20 5 HCBDRO CN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000609533294 1079284681 /nfs/dbraw/zinc/28/46/81/1079284681.db2.gz AEFJNAYQEVPFBN-CYBMUJFWSA-N 1 0 411.484 0.739 20 5 HCBDRO CN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000609533295 1079284474 /nfs/dbraw/zinc/28/44/74/1079284474.db2.gz AEFJNAYQEVPFBN-ZDUSSCGKSA-N 1 0 411.484 0.739 20 5 HCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000609571485 1078478362 /nfs/dbraw/zinc/47/83/62/1078478362.db2.gz APGOYTNATMLXRG-GDBMZVCRSA-N 1 0 403.483 0.998 20 5 HCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000609571489 1078478482 /nfs/dbraw/zinc/47/84/82/1078478482.db2.gz APGOYTNATMLXRG-HOCLYGCPSA-N 1 0 403.483 0.998 20 5 HCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000609571490 1078478524 /nfs/dbraw/zinc/47/85/24/1078478524.db2.gz APGOYTNATMLXRG-ZBFHGGJFSA-N 1 0 403.483 0.998 20 5 HCBDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)C2)CC1 ZINC000609571793 1078478989 /nfs/dbraw/zinc/47/89/89/1078478989.db2.gz KLJNYMAYADITSE-AWEZNQCLSA-N 1 0 410.496 0.897 20 5 HCBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)C2)CC1 ZINC000609571794 1078479098 /nfs/dbraw/zinc/47/90/98/1078479098.db2.gz KLJNYMAYADITSE-CQSZACIVSA-N 1 0 410.496 0.897 20 5 HCBDRO CN1CCC([N@@H+]2CC[C@H](NC(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000609571831 1078479232 /nfs/dbraw/zinc/47/92/32/1078479232.db2.gz MDCHAKVRLIZHHV-INIZCTEOSA-N 1 0 418.498 0.679 20 5 HCBDRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000609571832 1078479390 /nfs/dbraw/zinc/47/93/90/1078479390.db2.gz MDCHAKVRLIZHHV-MRXNPFEDSA-N 1 0 418.498 0.679 20 5 HCBDRO CN1CCC([N@@H+]2CC[C@H](NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000609572261 1078479064 /nfs/dbraw/zinc/47/90/64/1078479064.db2.gz WJUNHDNDYBEVIR-INIZCTEOSA-N 1 0 403.483 0.999 20 5 HCBDRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000609572262 1078479142 /nfs/dbraw/zinc/47/91/42/1078479142.db2.gz WJUNHDNDYBEVIR-MRXNPFEDSA-N 1 0 403.483 0.999 20 5 HCBDRO CN1CCC([N@@H+]2CC[C@H](NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000609572273 1078479193 /nfs/dbraw/zinc/47/91/93/1078479193.db2.gz XKVDMHQDBLQVNX-AWEZNQCLSA-N 1 0 417.466 0.605 20 5 HCBDRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000609572276 1078479123 /nfs/dbraw/zinc/47/91/23/1078479123.db2.gz XKVDMHQDBLQVNX-CQSZACIVSA-N 1 0 417.466 0.605 20 5 HCBDRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)CC1 ZINC000609572283 1078479304 /nfs/dbraw/zinc/47/93/04/1078479304.db2.gz XOYRNQNKZJZEMN-CYBMUJFWSA-N 1 0 415.450 0.476 20 5 HCBDRO CN1CCC([N@@H+]2CC[C@H](NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)CC1 ZINC000609572287 1078479353 /nfs/dbraw/zinc/47/93/53/1078479353.db2.gz XOYRNQNKZJZEMN-ZDUSSCGKSA-N 1 0 415.450 0.476 20 5 HCBDRO CN(CCN1CCCC1=O)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000609578021 1078485007 /nfs/dbraw/zinc/48/50/07/1078485007.db2.gz MHELDKWPNNQNNR-UHFFFAOYSA-N 1 0 413.500 0.493 20 5 HCBDRO C[C@@H](NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000609583459 1078486090 /nfs/dbraw/zinc/48/60/90/1078486090.db2.gz JVNZPPUNWOFSQC-GFCCVEGCSA-N 1 0 413.500 0.891 20 5 HCBDRO C[C@H](NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000609583460 1078485994 /nfs/dbraw/zinc/48/59/94/1078485994.db2.gz JVNZPPUNWOFSQC-LBPRGKRZSA-N 1 0 413.500 0.891 20 5 HCBDRO C[N@@H+]1CCCN(CCCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000609619902 1078494543 /nfs/dbraw/zinc/49/45/43/1078494543.db2.gz YUTTUKMTZXJDTF-UHFFFAOYSA-N 1 0 405.455 0.464 20 5 HCBDRO C[N@@H+]1CCCN(CCCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609624009 1078495581 /nfs/dbraw/zinc/49/55/81/1078495581.db2.gz MTHDGGFPTVDJOV-UHFFFAOYSA-N 1 0 406.487 0.538 20 5 HCBDRO C[N@@H+]1CCCN(CCCNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000609624215 1078495352 /nfs/dbraw/zinc/49/53/52/1078495352.db2.gz RWCZMTZCDOQOQB-UHFFFAOYSA-N 1 0 409.512 0.930 20 5 HCBDRO C[N@@H+]1CCCN(CCCNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000609624223 1078495442 /nfs/dbraw/zinc/49/54/42/1078495442.db2.gz UJOVCEBNNRIOLR-HNNXBMFYSA-N 1 0 407.471 0.936 20 5 HCBDRO C[N@@H+]1CCCN(CCCNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000609624225 1078495789 /nfs/dbraw/zinc/49/57/89/1078495789.db2.gz UJOVCEBNNRIOLR-OAHLLOKOSA-N 1 0 407.471 0.936 20 5 HCBDRO C[N@@H+]1CCCN(CCCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000609624241 1078495742 /nfs/dbraw/zinc/49/57/42/1078495742.db2.gz VGJDITMODPBKFC-UHFFFAOYSA-N 1 0 403.439 0.335 20 5 HCBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609642680 1078499478 /nfs/dbraw/zinc/49/94/78/1078499478.db2.gz SGYJIWAAURIGDN-AWEZNQCLSA-N 1 0 423.495 0.847 20 5 HCBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609642684 1078499683 /nfs/dbraw/zinc/49/96/83/1078499683.db2.gz SGYJIWAAURIGDN-CQSZACIVSA-N 1 0 423.495 0.847 20 5 HCBDRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)C2)CC1 ZINC000609642699 1078499352 /nfs/dbraw/zinc/49/93/52/1078499352.db2.gz TXDYORQFVUWMSW-INIZCTEOSA-N 1 0 417.514 0.990 20 5 HCBDRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)C2)CC1 ZINC000609642703 1078499840 /nfs/dbraw/zinc/49/98/40/1078499840.db2.gz TXDYORQFVUWMSW-MRXNPFEDSA-N 1 0 417.514 0.990 20 5 HCBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609642963 1078500039 /nfs/dbraw/zinc/50/00/39/1078500039.db2.gz YLBBEAQDDOJFTE-AWEZNQCLSA-N 1 0 423.495 0.847 20 5 HCBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609642965 1078499737 /nfs/dbraw/zinc/49/97/37/1078499737.db2.gz YLBBEAQDDOJFTE-CQSZACIVSA-N 1 0 423.495 0.847 20 5 HCBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000609664590 1078504490 /nfs/dbraw/zinc/50/44/90/1078504490.db2.gz ATMXKMDOQFBFLF-GOSISDBHSA-N 1 0 403.483 0.953 20 5 HCBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000609664591 1078504114 /nfs/dbraw/zinc/50/41/14/1078504114.db2.gz ATMXKMDOQFBFLF-SFHVURJKSA-N 1 0 403.483 0.953 20 5 HCBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609664719 1078504890 /nfs/dbraw/zinc/50/48/90/1078504890.db2.gz UPTQUDBAMUEKAJ-ZDUSSCGKSA-N 1 0 413.500 0.844 20 5 HCBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)C1 ZINC000609664996 1078504932 /nfs/dbraw/zinc/50/49/32/1078504932.db2.gz RKEBLWKOHZROOJ-INIZCTEOSA-N 1 0 417.466 0.559 20 5 HCBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)C1 ZINC000609664997 1078505162 /nfs/dbraw/zinc/50/51/62/1078505162.db2.gz RKEBLWKOHZROOJ-MRXNPFEDSA-N 1 0 417.466 0.559 20 5 HCBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000609665079 1078505084 /nfs/dbraw/zinc/50/50/84/1078505084.db2.gz XHGHSBUYSYSIFD-SFHVURJKSA-N 1 0 418.498 0.632 20 5 HCBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)CC2)C1 ZINC000609665402 1078505233 /nfs/dbraw/zinc/50/52/33/1078505233.db2.gz MQHJVCHVHCYQIN-HNNXBMFYSA-N 1 0 410.496 0.850 20 5 HCBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)CC2)C1 ZINC000609665403 1078504867 /nfs/dbraw/zinc/50/48/67/1078504867.db2.gz MQHJVCHVHCYQIN-OAHLLOKOSA-N 1 0 410.496 0.850 20 5 HCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000609665414 1078504834 /nfs/dbraw/zinc/50/48/34/1078504834.db2.gz MXTHQYCTCJDSCT-CRAIPNDOSA-N 1 0 403.483 0.952 20 5 HCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000609665415 1078505042 /nfs/dbraw/zinc/50/50/42/1078505042.db2.gz MXTHQYCTCJDSCT-MAUKXSAKSA-N 1 0 403.483 0.952 20 5 HCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000609665417 1078504960 /nfs/dbraw/zinc/50/49/60/1078504960.db2.gz MXTHQYCTCJDSCT-YJBOKZPZSA-N 1 0 403.483 0.952 20 5 HCBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)C1 ZINC000609665481 1078505125 /nfs/dbraw/zinc/50/51/25/1078505125.db2.gz QNOFTTBMEDWUFY-AWEZNQCLSA-N 1 0 415.450 0.429 20 5 HCBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)C1 ZINC000609665482 1078505269 /nfs/dbraw/zinc/50/52/69/1078505269.db2.gz QNOFTTBMEDWUFY-CQSZACIVSA-N 1 0 415.450 0.429 20 5 HCBDRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609667989 1078507653 /nfs/dbraw/zinc/50/76/53/1078507653.db2.gz CJSQNVFSKJDXPO-INIZCTEOSA-N 1 0 414.466 0.917 20 5 HCBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609667990 1078507746 /nfs/dbraw/zinc/50/77/46/1078507746.db2.gz CJSQNVFSKJDXPO-MRXNPFEDSA-N 1 0 414.466 0.917 20 5 HCBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000609668005 1078507869 /nfs/dbraw/zinc/50/78/69/1078507869.db2.gz DFFONISXPYYHFC-KRWDZBQOSA-N 1 0 420.466 0.908 20 5 HCBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000609668007 1078507313 /nfs/dbraw/zinc/50/73/13/1078507313.db2.gz DFFONISXPYYHFC-QGZVFWFLSA-N 1 0 420.466 0.908 20 5 HCBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000609668088 1078507978 /nfs/dbraw/zinc/50/79/78/1078507978.db2.gz GEDRQNKVKDHUFC-AWEZNQCLSA-N 1 0 408.455 0.748 20 5 HCBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000609668092 1078507694 /nfs/dbraw/zinc/50/76/94/1078507694.db2.gz GEDRQNKVKDHUFC-CQSZACIVSA-N 1 0 408.455 0.748 20 5 HCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609668108 1078507819 /nfs/dbraw/zinc/50/78/19/1078507819.db2.gz GLTUDPOFFBQYHE-DOTOQJQBSA-N 1 0 419.482 0.236 20 5 HCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609668111 1078507762 /nfs/dbraw/zinc/50/77/62/1078507762.db2.gz GLTUDPOFFBQYHE-NVXWUHKLSA-N 1 0 419.482 0.236 20 5 HCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609668112 1078507484 /nfs/dbraw/zinc/50/74/84/1078507484.db2.gz GLTUDPOFFBQYHE-RDJZCZTQSA-N 1 0 419.482 0.236 20 5 HCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609668113 1078507371 /nfs/dbraw/zinc/50/73/71/1078507371.db2.gz GLTUDPOFFBQYHE-WBVHZDCISA-N 1 0 419.482 0.236 20 5 HCBDRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609668191 1078507835 /nfs/dbraw/zinc/50/78/35/1078507835.db2.gz JEDLBNRIPPLHHW-INIZCTEOSA-N 1 0 414.466 0.917 20 5 HCBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609668192 1078507615 /nfs/dbraw/zinc/50/76/15/1078507615.db2.gz JEDLBNRIPPLHHW-MRXNPFEDSA-N 1 0 414.466 0.917 20 5 HCBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609668205 1078506718 /nfs/dbraw/zinc/50/67/18/1078506718.db2.gz JTZPSCKPDRFIGW-KRWDZBQOSA-N 1 0 419.482 0.237 20 5 HCBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609668206 1078507903 /nfs/dbraw/zinc/50/79/03/1078507903.db2.gz JTZPSCKPDRFIGW-QGZVFWFLSA-N 1 0 419.482 0.237 20 5 HCBDRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000609668228 1078507434 /nfs/dbraw/zinc/50/74/34/1078507434.db2.gz KKFNBMGKYVHNMG-KRWDZBQOSA-N 1 0 414.466 0.917 20 5 HCBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000609668229 1078507577 /nfs/dbraw/zinc/50/75/77/1078507577.db2.gz KKFNBMGKYVHNMG-QGZVFWFLSA-N 1 0 414.466 0.917 20 5 HCBDRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000609668399 1078506498 /nfs/dbraw/zinc/50/64/98/1078506498.db2.gz ONBVFHWNAIWUDF-AWEZNQCLSA-N 1 0 406.439 0.502 20 5 HCBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000609668400 1078506900 /nfs/dbraw/zinc/50/69/00/1078506900.db2.gz ONBVFHWNAIWUDF-CQSZACIVSA-N 1 0 406.439 0.502 20 5 HCBDRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000609668435 1078506832 /nfs/dbraw/zinc/50/68/32/1078506832.db2.gz QGSGVYNLWMZKBS-KRWDZBQOSA-N 1 0 414.466 0.917 20 5 HCBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000609668436 1078506627 /nfs/dbraw/zinc/50/66/27/1078506627.db2.gz QGSGVYNLWMZKBS-QGZVFWFLSA-N 1 0 414.466 0.917 20 5 HCBDRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609668641 1078506963 /nfs/dbraw/zinc/50/69/63/1078506963.db2.gz VJDIQVJONKBKNP-AWEZNQCLSA-N 1 0 406.439 0.502 20 5 HCBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609668642 1078506680 /nfs/dbraw/zinc/50/66/80/1078506680.db2.gz VJDIQVJONKBKNP-CQSZACIVSA-N 1 0 406.439 0.502 20 5 HCBDRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000609668683 1078507790 /nfs/dbraw/zinc/50/77/90/1078507790.db2.gz XJEGBTKWEUSYJI-HNNXBMFYSA-N 1 0 415.454 0.312 20 5 HCBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000609668684 1078507936 /nfs/dbraw/zinc/50/79/36/1078507936.db2.gz XJEGBTKWEUSYJI-OAHLLOKOSA-N 1 0 415.454 0.312 20 5 HCBDRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000609668720 1078508770 /nfs/dbraw/zinc/50/87/70/1078508770.db2.gz YRPUMHBTEVTYQD-INIZCTEOSA-N 1 0 415.454 0.312 20 5 HCBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000609668721 1078508555 /nfs/dbraw/zinc/50/85/55/1078508555.db2.gz YRPUMHBTEVTYQD-MRXNPFEDSA-N 1 0 415.454 0.312 20 5 HCBDRO COc1cc(OCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000609668722 1078508426 /nfs/dbraw/zinc/50/84/26/1078508426.db2.gz YUEUBRAPEOAKGG-HNNXBMFYSA-N 1 0 408.455 0.505 20 5 HCBDRO COc1cc(OCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000609668723 1078508652 /nfs/dbraw/zinc/50/86/52/1078508652.db2.gz YUEUBRAPEOAKGG-OAHLLOKOSA-N 1 0 408.455 0.505 20 5 HCBDRO COC(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000609668757 1078508817 /nfs/dbraw/zinc/50/88/17/1078508817.db2.gz ZSPUMSVGTDVMFZ-MRXNPFEDSA-N 1 0 406.439 0.518 20 5 HCBDRO COC(=O)CNC(=O)c1ccc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000609670919 1078509175 /nfs/dbraw/zinc/50/91/75/1078509175.db2.gz RZPFWLJLLJOOOB-INIZCTEOSA-N 1 0 419.482 0.714 20 5 HCBDRO COC(=O)CNC(=O)c1ccc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000609670921 1078509287 /nfs/dbraw/zinc/50/92/87/1078509287.db2.gz RZPFWLJLLJOOOB-MRXNPFEDSA-N 1 0 419.482 0.714 20 5 HCBDRO C[N@@H+]1CCC[C@H](N2CCN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)CC2)C1 ZINC000609672332 1078511000 /nfs/dbraw/zinc/51/10/00/1078511000.db2.gz AEFXOPVFABYRMS-AWEZNQCLSA-N 1 0 405.455 0.974 20 5 HCBDRO C[N@@H+]1CCC[C@@H](N2CCN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)CC2)C1 ZINC000609672333 1078510832 /nfs/dbraw/zinc/51/08/32/1078510832.db2.gz AEFXOPVFABYRMS-CQSZACIVSA-N 1 0 405.455 0.974 20 5 HCBDRO COc1ccc(C(=O)NCC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000609680270 1078514275 /nfs/dbraw/zinc/51/42/75/1078514275.db2.gz NPCAGSOAQYVIJM-INIZCTEOSA-N 1 0 419.482 0.572 20 5 HCBDRO COc1ccc(C(=O)NCC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000609680271 1078514100 /nfs/dbraw/zinc/51/41/00/1078514100.db2.gz NPCAGSOAQYVIJM-MRXNPFEDSA-N 1 0 419.482 0.572 20 5 HCBDRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609681468 1078514788 /nfs/dbraw/zinc/51/47/88/1078514788.db2.gz NDXZBMRYVRAXFB-AWEZNQCLSA-N 1 0 415.450 0.985 20 5 HCBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609681469 1078515309 /nfs/dbraw/zinc/51/53/09/1078515309.db2.gz NDXZBMRYVRAXFB-CQSZACIVSA-N 1 0 415.450 0.985 20 5 HCBDRO COc1ccc(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000609684844 1078516160 /nfs/dbraw/zinc/51/61/60/1078516160.db2.gz KHXOSJOVOJBJHC-INIZCTEOSA-N 1 0 407.471 0.809 20 5 HCBDRO COc1ccc(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000609684845 1078515870 /nfs/dbraw/zinc/51/58/70/1078515870.db2.gz KHXOSJOVOJBJHC-MRXNPFEDSA-N 1 0 407.471 0.809 20 5 HCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609685054 1078516193 /nfs/dbraw/zinc/51/61/93/1078516193.db2.gz PPEZQNJTEYQXNT-INIZCTEOSA-N 1 0 407.471 0.809 20 5 HCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609685055 1078515797 /nfs/dbraw/zinc/51/57/97/1078515797.db2.gz PPEZQNJTEYQXNT-MRXNPFEDSA-N 1 0 407.471 0.809 20 5 HCBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609685286 1078515343 /nfs/dbraw/zinc/51/53/43/1078515343.db2.gz RQBUVTSVYOVUOQ-KRWDZBQOSA-N 1 0 406.487 0.712 20 5 HCBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609685296 1078515210 /nfs/dbraw/zinc/51/52/10/1078515210.db2.gz RQBUVTSVYOVUOQ-QGZVFWFLSA-N 1 0 406.487 0.712 20 5 HCBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609685389 1078514747 /nfs/dbraw/zinc/51/47/47/1078514747.db2.gz UZAGEALTKJDVJS-INIZCTEOSA-N 1 0 406.487 0.712 20 5 HCBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609685391 1078515243 /nfs/dbraw/zinc/51/52/43/1078515243.db2.gz UZAGEALTKJDVJS-MRXNPFEDSA-N 1 0 406.487 0.712 20 5 HCBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609685935 1078516543 /nfs/dbraw/zinc/51/65/43/1078516543.db2.gz AUABKQNKGKAKQQ-INIZCTEOSA-N 1 0 407.471 0.679 20 5 HCBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609685936 1078516716 /nfs/dbraw/zinc/51/67/16/1078516716.db2.gz AUABKQNKGKAKQQ-MRXNPFEDSA-N 1 0 407.471 0.679 20 5 HCBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609686010 1078516484 /nfs/dbraw/zinc/51/64/84/1078516484.db2.gz DHTSHUDNVXSLTN-AWEZNQCLSA-N 1 0 413.500 0.856 20 5 HCBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609686011 1078516902 /nfs/dbraw/zinc/51/69/02/1078516902.db2.gz DHTSHUDNVXSLTN-CQSZACIVSA-N 1 0 413.500 0.856 20 5 HCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000609691146 1078510412 /nfs/dbraw/zinc/51/04/12/1078510412.db2.gz PIRLXAIETWJNBO-HNNXBMFYSA-N 1 0 405.455 0.780 20 5 HCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000609691155 1078510378 /nfs/dbraw/zinc/51/03/78/1078510378.db2.gz PIRLXAIETWJNBO-OAHLLOKOSA-N 1 0 405.455 0.780 20 5 HCBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609741884 1078527412 /nfs/dbraw/zinc/52/74/12/1078527412.db2.gz DSTPBIDZSICBGS-CYBMUJFWSA-N 1 0 401.489 0.903 20 5 HCBDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609741885 1078527615 /nfs/dbraw/zinc/52/76/15/1078527615.db2.gz DSTPBIDZSICBGS-ZDUSSCGKSA-N 1 0 401.489 0.903 20 5 HCBDRO CC[N@H+](CCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000609741966 1078527597 /nfs/dbraw/zinc/52/75/97/1078527597.db2.gz MOZNVOIPOVQJGJ-UHFFFAOYSA-N 1 0 401.489 0.903 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000609742157 1078527584 /nfs/dbraw/zinc/52/75/84/1078527584.db2.gz ABQLXPQIRWLEEK-UHFFFAOYSA-N 1 0 411.484 0.799 20 5 HCBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609744052 1078528848 /nfs/dbraw/zinc/52/88/48/1078528848.db2.gz BQTXTBBXYCHXEU-AWEZNQCLSA-N 1 0 413.500 0.904 20 5 HCBDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609744053 1078528658 /nfs/dbraw/zinc/52/86/58/1078528658.db2.gz BQTXTBBXYCHXEU-CQSZACIVSA-N 1 0 413.500 0.904 20 5 HCBDRO C[C@H]1CCC[N@H+](CCNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609744902 1078528548 /nfs/dbraw/zinc/52/85/48/1078528548.db2.gz QOGDINYABRILNM-AWEZNQCLSA-N 1 0 413.500 0.904 20 5 HCBDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609744903 1078528774 /nfs/dbraw/zinc/52/87/74/1078528774.db2.gz QOGDINYABRILNM-CQSZACIVSA-N 1 0 413.500 0.904 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000609746029 1078529298 /nfs/dbraw/zinc/52/92/98/1078529298.db2.gz YCWLNLDQVMEULE-KBPBESRZSA-N 1 0 411.484 0.799 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000609746030 1078529246 /nfs/dbraw/zinc/52/92/46/1078529246.db2.gz YCWLNLDQVMEULE-KGLIPLIRSA-N 1 0 411.484 0.799 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000609746031 1078529982 /nfs/dbraw/zinc/52/99/82/1078529982.db2.gz YCWLNLDQVMEULE-UONOGXRCSA-N 1 0 411.484 0.799 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000609746032 1078529915 /nfs/dbraw/zinc/52/99/15/1078529915.db2.gz YCWLNLDQVMEULE-ZIAGYGMSSA-N 1 0 411.484 0.799 20 5 HCBDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609746567 1078529104 /nfs/dbraw/zinc/52/91/04/1078529104.db2.gz LJVJJFNDGVGICF-CYBMUJFWSA-N 1 0 401.489 0.903 20 5 HCBDRO CC[NH+](CC)C[C@H](C)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609746569 1078529285 /nfs/dbraw/zinc/52/92/85/1078529285.db2.gz LJVJJFNDGVGICF-ZDUSSCGKSA-N 1 0 401.489 0.903 20 5 HCBDRO CN(C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000609747845 1078531138 /nfs/dbraw/zinc/53/11/38/1078531138.db2.gz CHGABQVOMXMTOB-AWEZNQCLSA-N 1 0 411.484 0.751 20 5 HCBDRO CN(C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000609747847 1078530525 /nfs/dbraw/zinc/53/05/25/1078530525.db2.gz CHGABQVOMXMTOB-CQSZACIVSA-N 1 0 411.484 0.751 20 5 HCBDRO CC(C)[N@@H+]1CCCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000609747973 1078530663 /nfs/dbraw/zinc/53/06/63/1078530663.db2.gz JAYCEWLAWIRRRQ-UHFFFAOYSA-N 1 0 413.500 0.999 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000609748042 1078530547 /nfs/dbraw/zinc/53/05/47/1078530547.db2.gz LFOURYXQRFWDPV-UHFFFAOYSA-N 1 0 411.484 0.753 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000609748114 1078530512 /nfs/dbraw/zinc/53/05/12/1078530512.db2.gz NVKVDMXGDYFPRK-AWEZNQCLSA-N 1 0 411.484 0.753 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000609748115 1078530691 /nfs/dbraw/zinc/53/06/91/1078530691.db2.gz NVKVDMXGDYFPRK-CQSZACIVSA-N 1 0 411.484 0.753 20 5 HCBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609748251 1078530433 /nfs/dbraw/zinc/53/04/33/1078530433.db2.gz YEOCMFAQZKTXQA-AWEZNQCLSA-N 1 0 413.500 0.856 20 5 HCBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609748253 1078530714 /nfs/dbraw/zinc/53/07/14/1078530714.db2.gz YEOCMFAQZKTXQA-CQSZACIVSA-N 1 0 413.500 0.856 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609753750 1078536592 /nfs/dbraw/zinc/53/65/92/1078536592.db2.gz UUELWOGVHUNVJN-CQSZACIVSA-N 1 0 411.484 0.657 20 5 HCBDRO C[C@H](CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000609766543 1078537608 /nfs/dbraw/zinc/53/76/08/1078537608.db2.gz OJHYMIONVHGCJM-CYBMUJFWSA-N 1 0 411.890 0.978 20 5 HCBDRO C[C@@H](CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000609766544 1078537585 /nfs/dbraw/zinc/53/75/85/1078537585.db2.gz OJHYMIONVHGCJM-ZDUSSCGKSA-N 1 0 411.890 0.978 20 5 HCBDRO COc1ccc(C[NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000609826047 1078546442 /nfs/dbraw/zinc/54/64/42/1078546442.db2.gz LVRIIWYYXVWWFS-UHFFFAOYSA-N 1 0 414.484 0.734 20 5 HCBDRO Cc1c(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609840897 1078555945 /nfs/dbraw/zinc/55/59/45/1078555945.db2.gz VGZBHYKVRMPKDZ-RYUDHWBXSA-N 1 0 414.484 0.780 20 5 HCBDRO 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 1078555868 /nfs/dbraw/zinc/55/58/68/1078555868.db2.gz VGZBHYKVRMPKDZ-TXEJJXNPSA-N 1 0 414.484 0.780 20 5 HCBDRO Cc1c(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609840899 1078555955 /nfs/dbraw/zinc/55/59/55/1078555955.db2.gz VGZBHYKVRMPKDZ-VXGBXAGGSA-N 1 0 414.484 0.780 20 5 HCBDRO Cc1c(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609842019 1078555898 /nfs/dbraw/zinc/55/58/98/1078555898.db2.gz XNVVKNIZWBFCEN-CYBMUJFWSA-N 1 0 414.484 0.637 20 5 HCBDRO Cc1c(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609842020 1078556186 /nfs/dbraw/zinc/55/61/86/1078556186.db2.gz XNVVKNIZWBFCEN-ZDUSSCGKSA-N 1 0 414.484 0.637 20 5 HCBDRO Cc1c(C(=O)NCCCC[NH+]2CCOCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609842238 1078555990 /nfs/dbraw/zinc/55/59/90/1078555990.db2.gz TYJNTSVJUJRDJT-UHFFFAOYSA-N 1 0 400.457 0.393 20 5 HCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000609843415 1078551570 /nfs/dbraw/zinc/55/15/70/1078551570.db2.gz CSAFJENDYNWUAX-CABCVRRESA-N 1 0 423.518 0.886 20 5 HCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000609843416 1078551512 /nfs/dbraw/zinc/55/15/12/1078551512.db2.gz CSAFJENDYNWUAX-GJZGRUSLSA-N 1 0 423.518 0.886 20 5 HCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000609843417 1078551398 /nfs/dbraw/zinc/55/13/98/1078551398.db2.gz CSAFJENDYNWUAX-HUUCEWRRSA-N 1 0 423.518 0.886 20 5 HCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000609843418 1078551546 /nfs/dbraw/zinc/55/15/46/1078551546.db2.gz CSAFJENDYNWUAX-LSDHHAIUSA-N 1 0 423.518 0.886 20 5 HCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000609848104 1078552973 /nfs/dbraw/zinc/55/29/73/1078552973.db2.gz XTXKQLVFNVUVJM-CABCVRRESA-N 1 0 421.502 0.768 20 5 HCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000609848106 1078553141 /nfs/dbraw/zinc/55/31/41/1078553141.db2.gz XTXKQLVFNVUVJM-HUUCEWRRSA-N 1 0 421.502 0.768 20 5 HCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000609848107 1078553048 /nfs/dbraw/zinc/55/30/48/1078553048.db2.gz XTXKQLVFNVUVJM-LSDHHAIUSA-N 1 0 421.502 0.768 20 5 HCBDRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609851083 1078553389 /nfs/dbraw/zinc/55/33/89/1078553389.db2.gz ZDWHTWVGQMZZOT-UHFFFAOYSA-N 1 0 414.484 0.624 20 5 HCBDRO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000609865342 1078556201 /nfs/dbraw/zinc/55/62/01/1078556201.db2.gz IBKKCUQEZTUIRE-UHFFFAOYSA-N 1 0 416.434 0.762 20 5 HCBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000609886264 1078560414 /nfs/dbraw/zinc/56/04/14/1078560414.db2.gz DNCANXNVQDLXDL-AWEZNQCLSA-N 1 0 418.450 0.937 20 5 HCBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000609886265 1078560323 /nfs/dbraw/zinc/56/03/23/1078560323.db2.gz DNCANXNVQDLXDL-CQSZACIVSA-N 1 0 418.450 0.937 20 5 HCBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(NC[C@@H](O)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000609894548 1078561907 /nfs/dbraw/zinc/56/19/07/1078561907.db2.gz DVAHZSUDMQLVLC-CXAGYDPISA-N 1 0 416.500 0.634 20 5 HCBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(NC[C@H](O)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000609894549 1078561835 /nfs/dbraw/zinc/56/18/35/1078561835.db2.gz DVAHZSUDMQLVLC-DYVFJYSZSA-N 1 0 416.500 0.634 20 5 HCBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(NC[C@H](O)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000609894550 1078561852 /nfs/dbraw/zinc/56/18/52/1078561852.db2.gz DVAHZSUDMQLVLC-GUYCJALGSA-N 1 0 416.500 0.634 20 5 HCBDRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C(C)(C)CO ZINC000609894946 1078561758 /nfs/dbraw/zinc/56/17/58/1078561758.db2.gz RCDCVBISAIKZQG-UHFFFAOYSA-N 1 0 414.484 0.130 20 5 HCBDRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)CO ZINC000609894973 1078561646 /nfs/dbraw/zinc/56/16/46/1078561646.db2.gz UHWFSSJAYNTOHK-UHFFFAOYSA-N 1 0 414.484 0.130 20 5 HCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NC[C@H](O)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000609914793 1078560358 /nfs/dbraw/zinc/56/03/58/1078560358.db2.gz ZDLQCSAGIJTRMO-KRWDZBQOSA-N 1 0 416.500 0.634 20 5 HCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NC[C@@H](O)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000609914794 1078560331 /nfs/dbraw/zinc/56/03/31/1078560331.db2.gz ZDLQCSAGIJTRMO-QGZVFWFLSA-N 1 0 416.500 0.634 20 5 HCBDRO COc1ccc(C(=O)NCC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000609921964 1078565972 /nfs/dbraw/zinc/56/59/72/1078565972.db2.gz CAEFUPGLRQKVOI-UHFFFAOYSA-N 1 0 420.466 0.904 20 5 HCBDRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000609938939 1078567459 /nfs/dbraw/zinc/56/74/59/1078567459.db2.gz ULBFCRWIGUNLLX-UHFFFAOYSA-N 1 0 421.454 0.448 20 5 HCBDRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000609942706 1078564875 /nfs/dbraw/zinc/56/48/75/1078564875.db2.gz UZQLIIDPTXCDJW-UHFFFAOYSA-N 1 0 422.438 0.922 20 5 HCBDRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000609945595 1078578576 /nfs/dbraw/zinc/57/85/76/1078578576.db2.gz SPQMCHBKUWIRKW-UHFFFAOYSA-N 1 0 410.427 0.731 20 5 HCBDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CCOCC1 ZINC000609946103 1078579636 /nfs/dbraw/zinc/57/96/36/1078579636.db2.gz DLNJFDOHGQEONL-UHFFFAOYSA-N 1 0 422.438 0.922 20 5 HCBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000609946549 1078579588 /nfs/dbraw/zinc/57/95/88/1078579588.db2.gz CVBJSGOPSBMHRO-CYBMUJFWSA-N 1 0 422.438 0.922 20 5 HCBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000609946550 1078579547 /nfs/dbraw/zinc/57/95/47/1078579547.db2.gz CVBJSGOPSBMHRO-ZDUSSCGKSA-N 1 0 422.438 0.922 20 5 HCBDRO Cc1ccc(NC(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000609957798 1078574081 /nfs/dbraw/zinc/57/40/81/1078574081.db2.gz RILOJFCOJMWPIV-UHFFFAOYSA-N 1 0 407.471 0.348 20 5 HCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000609957880 1078574053 /nfs/dbraw/zinc/57/40/53/1078574053.db2.gz SFQATNNWIXXTPW-UHFFFAOYSA-N 1 0 407.471 0.348 20 5 HCBDRO CN(CC(=O)Nc1cnn(CC[NH+](C)C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609970368 1078584888 /nfs/dbraw/zinc/58/48/88/1078584888.db2.gz YKNXCHGBGAOVST-UHFFFAOYSA-N 1 0 410.456 0.612 20 5 HCBDRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000609981845 1078581948 /nfs/dbraw/zinc/58/19/48/1078581948.db2.gz NNHDHQLYGUNBTD-UHFFFAOYSA-N 1 0 403.443 0.476 20 5 HCBDRO CN(CC(=O)N1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609985195 1078582726 /nfs/dbraw/zinc/58/27/26/1078582726.db2.gz AYWMLJACZSVVRD-UHFFFAOYSA-N 1 0 419.463 0.959 20 5 HCBDRO COCC[N@@H+]1CCCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609987153 1078583132 /nfs/dbraw/zinc/58/31/32/1078583132.db2.gz FUONEVITBGHKQQ-UHFFFAOYSA-N 1 0 414.484 0.396 20 5 HCBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609988243 1078583872 /nfs/dbraw/zinc/58/38/72/1078583872.db2.gz CHRCJZSVXZCOMP-CQSZACIVSA-N 1 0 414.484 0.442 20 5 HCBDRO CN(CC(=O)N1CC[NH+](CC(C)(C)O)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609988592 1078583078 /nfs/dbraw/zinc/58/30/78/1078583078.db2.gz NJAGNSBDHPHVLH-UHFFFAOYSA-N 1 0 414.484 0.130 20 5 HCBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609988652 1078583275 /nfs/dbraw/zinc/58/32/75/1078583275.db2.gz RWRRBMRTKFSGER-HNNXBMFYSA-N 1 0 414.484 0.442 20 5 HCBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609988653 1078583774 /nfs/dbraw/zinc/58/37/74/1078583774.db2.gz RWRRBMRTKFSGER-OAHLLOKOSA-N 1 0 414.484 0.442 20 5 HCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609989473 1078581464 /nfs/dbraw/zinc/58/14/64/1078581464.db2.gz FBIZQWHAWPMZGS-CYBMUJFWSA-N 1 0 400.457 0.052 20 5 HCBDRO COCC[N@@H+]1CC[C@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609989474 1078581538 /nfs/dbraw/zinc/58/15/38/1078581538.db2.gz FBIZQWHAWPMZGS-ZDUSSCGKSA-N 1 0 400.457 0.052 20 5 HCBDRO CN(CC(=O)NCCCC[NH+]1CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609991195 1078593003 /nfs/dbraw/zinc/59/30/03/1078593003.db2.gz JLCWMJPJCPHLSI-UHFFFAOYSA-N 1 0 414.484 0.444 20 5 HCBDRO CN(CC(=O)NCCC[NH+]1CCC(O)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609991875 1078593045 /nfs/dbraw/zinc/59/30/45/1078593045.db2.gz YOFZDGXHSMIEIM-UHFFFAOYSA-N 1 0 414.484 0.178 20 5 HCBDRO CN(CC(=O)NCC1([NH+](C)C)CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609994787 1078594022 /nfs/dbraw/zinc/59/40/22/1078594022.db2.gz XMCMOJFDTQZXPF-UHFFFAOYSA-N 1 0 414.484 0.442 20 5 HCBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610003445 1078590119 /nfs/dbraw/zinc/59/01/19/1078590119.db2.gz FPUYWZFORLXYGP-INIZCTEOSA-N 1 0 413.500 0.843 20 5 HCBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610003446 1078590069 /nfs/dbraw/zinc/59/00/69/1078590069.db2.gz FPUYWZFORLXYGP-MRXNPFEDSA-N 1 0 413.500 0.843 20 5 HCBDRO C[C@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000610024114 1078596375 /nfs/dbraw/zinc/59/63/75/1078596375.db2.gz JFFYKJFGQAIYCH-ZDUSSCGKSA-N 1 0 413.500 0.903 20 5 HCBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000610024117 1078596290 /nfs/dbraw/zinc/59/62/90/1078596290.db2.gz JHYAQJHTNXQKSY-INIZCTEOSA-N 1 0 413.500 0.855 20 5 HCBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000610024118 1078596213 /nfs/dbraw/zinc/59/62/13/1078596213.db2.gz JHYAQJHTNXQKSY-MRXNPFEDSA-N 1 0 413.500 0.855 20 5 HCBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000610024430 1078596334 /nfs/dbraw/zinc/59/63/34/1078596334.db2.gz MDICUVZOSOBFGA-INIZCTEOSA-N 1 0 413.500 0.855 20 5 HCBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000610024431 1078596245 /nfs/dbraw/zinc/59/62/45/1078596245.db2.gz MDICUVZOSOBFGA-MRXNPFEDSA-N 1 0 413.500 0.855 20 5 HCBDRO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000610024635 1078596268 /nfs/dbraw/zinc/59/62/68/1078596268.db2.gz VWQONHHGIYIZFB-CYBMUJFWSA-N 1 0 413.500 0.903 20 5 HCBDRO C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000610024636 1078596181 /nfs/dbraw/zinc/59/61/81/1078596181.db2.gz VWQONHHGIYIZFB-ZDUSSCGKSA-N 1 0 413.500 0.903 20 5 HCBDRO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000610025620 1078596896 /nfs/dbraw/zinc/59/68/96/1078596896.db2.gz DHBCMVDQYQDNIV-CYBMUJFWSA-N 1 0 413.500 0.903 20 5 HCBDRO C[C@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000610025621 1078596849 /nfs/dbraw/zinc/59/68/49/1078596849.db2.gz DHBCMVDQYQDNIV-ZDUSSCGKSA-N 1 0 413.500 0.903 20 5 HCBDRO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000610101611 1078628601 /nfs/dbraw/zinc/62/86/01/1078628601.db2.gz CJRJZSHBTPOYSQ-UHFFFAOYSA-N 1 0 421.454 0.448 20 5 HCBDRO O=C(NCCC[NH+]1CCC(O)CC1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000610103116 1078629747 /nfs/dbraw/zinc/62/97/47/1078629747.db2.gz RRMLMADEPUPGAT-UHFFFAOYSA-N 1 0 422.438 0.658 20 5 HCBDRO Cc1c(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610115503 1078625942 /nfs/dbraw/zinc/62/59/42/1078625942.db2.gz BPSQVLDXELXPCE-CYBMUJFWSA-N 1 0 414.484 0.733 20 5 HCBDRO Cc1c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610115504 1078626007 /nfs/dbraw/zinc/62/60/07/1078626007.db2.gz BPSQVLDXELXPCE-ZDUSSCGKSA-N 1 0 414.484 0.733 20 5 HCBDRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000610148491 1078633497 /nfs/dbraw/zinc/63/34/97/1078633497.db2.gz PZFFTCCNCOEDPI-UHFFFAOYSA-N 1 0 408.411 0.268 20 5 HCBDRO C[C@H](CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[NH+](C)CC1 ZINC000610151185 1078639893 /nfs/dbraw/zinc/63/98/93/1078639893.db2.gz JMPGOLKFWABCLA-GFCCVEGCSA-N 1 0 400.457 0.280 20 5 HCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000615310964 1078653582 /nfs/dbraw/zinc/65/35/82/1078653582.db2.gz CVHKENPDDSQBOZ-CYBMUJFWSA-N 1 0 405.455 0.827 20 5 HCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000615310965 1078653744 /nfs/dbraw/zinc/65/37/44/1078653744.db2.gz CVHKENPDDSQBOZ-ZDUSSCGKSA-N 1 0 405.455 0.827 20 5 HCBDRO COc1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000615311632 1078653175 /nfs/dbraw/zinc/65/31/75/1078653175.db2.gz RSMBNRGQVWFRGV-AWEZNQCLSA-N 1 0 405.455 0.827 20 5 HCBDRO COc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000615311634 1078653074 /nfs/dbraw/zinc/65/30/74/1078653074.db2.gz RSMBNRGQVWFRGV-CQSZACIVSA-N 1 0 405.455 0.827 20 5 HCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000615315091 1078656692 /nfs/dbraw/zinc/65/66/92/1078656692.db2.gz BHDHWOJZVOHRGU-HNNXBMFYSA-N 1 0 405.455 0.364 20 5 HCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000615315093 1078656629 /nfs/dbraw/zinc/65/66/29/1078656629.db2.gz BHDHWOJZVOHRGU-OAHLLOKOSA-N 1 0 405.455 0.364 20 5 HCBDRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000615315726 1078657873 /nfs/dbraw/zinc/65/78/73/1078657873.db2.gz NOVJJSWRLBTJBI-OAHLLOKOSA-N 1 0 421.454 0.065 20 5 HCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000615315772 1078657291 /nfs/dbraw/zinc/65/72/91/1078657291.db2.gz QMPHMPGNYPLOIW-INIZCTEOSA-N 1 0 419.482 0.673 20 5 HCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000615315777 1078657339 /nfs/dbraw/zinc/65/73/39/1078657339.db2.gz QMPHMPGNYPLOIW-MRXNPFEDSA-N 1 0 419.482 0.673 20 5 HCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000615315815 1078657404 /nfs/dbraw/zinc/65/74/04/1078657404.db2.gz RSHHVLXYIJMVGH-AWEZNQCLSA-N 1 0 421.454 0.065 20 5 HCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000615315818 1078657388 /nfs/dbraw/zinc/65/73/88/1078657388.db2.gz RSHHVLXYIJMVGH-CQSZACIVSA-N 1 0 421.454 0.065 20 5 HCBDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000615315896 1078657357 /nfs/dbraw/zinc/65/73/57/1078657357.db2.gz VHDXJVPQQGDQGD-MRXNPFEDSA-N 1 0 405.455 0.364 20 5 HCBDRO Cc1c(NC(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000615315925 1078657202 /nfs/dbraw/zinc/65/72/02/1078657202.db2.gz WHCMZCRLBJZCGF-HNNXBMFYSA-N 1 0 405.455 0.364 20 5 HCBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000615315928 1078657188 /nfs/dbraw/zinc/65/71/88/1078657188.db2.gz WHCMZCRLBJZCGF-OAHLLOKOSA-N 1 0 405.455 0.364 20 5 HCBDRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615691483 1078685015 /nfs/dbraw/zinc/68/50/15/1078685015.db2.gz BATRUNLADMMOEW-INIZCTEOSA-N 1 0 419.482 0.774 20 5 HCBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615691484 1078685033 /nfs/dbraw/zinc/68/50/33/1078685033.db2.gz BATRUNLADMMOEW-MRXNPFEDSA-N 1 0 419.482 0.774 20 5 HCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2C[C@H](O)CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000615730225 1078687456 /nfs/dbraw/zinc/68/74/56/1078687456.db2.gz FEBIEHBNUFRCDP-LLVKDONJSA-N 1 0 408.427 0.641 20 5 HCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2C[C@@H](O)CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000615730244 1078687587 /nfs/dbraw/zinc/68/75/87/1078687587.db2.gz FEBIEHBNUFRCDP-NSHDSACASA-N 1 0 408.427 0.641 20 5 HCBDRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000615923887 1078705553 /nfs/dbraw/zinc/70/55/53/1078705553.db2.gz HYVVBUFKNSVDMS-UHFFFAOYSA-N 1 0 402.411 0.581 20 5 HCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NC[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000616397187 1078748498 /nfs/dbraw/zinc/74/84/98/1078748498.db2.gz UYHYSOGXTUPNIE-GFCCVEGCSA-N 1 0 400.379 0.770 20 5 HCBDRO CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618568196 1078865595 /nfs/dbraw/zinc/86/55/95/1078865595.db2.gz UMDBRZCJENKSAV-CABCVRRESA-N 1 0 400.505 0.442 20 5 HCBDRO CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618568212 1078865326 /nfs/dbraw/zinc/86/53/26/1078865326.db2.gz UMDBRZCJENKSAV-GJZGRUSLSA-N 1 0 400.505 0.442 20 5 HCBDRO CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618568215 1078865314 /nfs/dbraw/zinc/86/53/14/1078865314.db2.gz UMDBRZCJENKSAV-HUUCEWRRSA-N 1 0 400.505 0.442 20 5 HCBDRO CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618568216 1078865261 /nfs/dbraw/zinc/86/52/61/1078865261.db2.gz UMDBRZCJENKSAV-LSDHHAIUSA-N 1 0 400.505 0.442 20 5 HCBDRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618815080 1078873775 /nfs/dbraw/zinc/87/37/75/1078873775.db2.gz SHJZJIPFFUWFTA-INIZCTEOSA-N 1 0 421.502 0.544 20 5 HCBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618815083 1078873798 /nfs/dbraw/zinc/87/37/98/1078873798.db2.gz SHJZJIPFFUWFTA-MRXNPFEDSA-N 1 0 421.502 0.544 20 5 HCBDRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000618865583 1078874455 /nfs/dbraw/zinc/87/44/55/1078874455.db2.gz HNISSBKWBCNMRW-UHFFFAOYSA-N 1 0 404.431 0.352 20 5 HCBDRO Cc1cc(=O)c(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000619253793 1078892985 /nfs/dbraw/zinc/89/29/85/1078892985.db2.gz GHKRVNVWGSEWIG-FQEVSTJZSA-N 1 0 415.450 0.978 20 5 HCBDRO Cc1cc(=O)c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000619253798 1078893079 /nfs/dbraw/zinc/89/30/79/1078893079.db2.gz GHKRVNVWGSEWIG-HXUWFJFHSA-N 1 0 415.450 0.978 20 5 HCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000619479560 1078902394 /nfs/dbraw/zinc/90/23/94/1078902394.db2.gz VOZDNVPSVBFSBC-UHFFFAOYSA-N 1 0 414.484 0.682 20 5 HCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000619481270 1078902742 /nfs/dbraw/zinc/90/27/42/1078902742.db2.gz YSULJWXKQAPPDW-GFCCVEGCSA-N 1 0 400.457 0.469 20 5 HCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000619481271 1078902106 /nfs/dbraw/zinc/90/21/06/1078902106.db2.gz YSULJWXKQAPPDW-LBPRGKRZSA-N 1 0 400.457 0.469 20 5 HCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000619481893 1078902726 /nfs/dbraw/zinc/90/27/26/1078902726.db2.gz RHCUTSGZXFECNV-UHFFFAOYSA-N 1 0 412.468 0.532 20 5 HCBDRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000619481933 1078902855 /nfs/dbraw/zinc/90/28/55/1078902855.db2.gz XDAJAHDIVCINJX-UHFFFAOYSA-N 1 0 414.484 0.778 20 5 HCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000619491593 1078905447 /nfs/dbraw/zinc/90/54/47/1078905447.db2.gz ARAACIZFTUPLEP-AWEZNQCLSA-N 1 0 412.468 0.531 20 5 HCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000619493797 1078906848 /nfs/dbraw/zinc/90/68/48/1078906848.db2.gz WPYPNJUTGKRSTR-ZDUSSCGKSA-N 1 0 416.500 0.974 20 5 HCBDRO CC(=O)N1CCCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000619512630 1078909226 /nfs/dbraw/zinc/90/92/26/1078909226.db2.gz KSWHRORJYVUZAY-UHFFFAOYSA-N 1 0 413.500 0.493 20 5 HCBDRO C[NH+]1CCN(CCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1 ZINC000619515864 1078909263 /nfs/dbraw/zinc/90/92/63/1078909263.db2.gz WPHGCGDBMVCWAX-UHFFFAOYSA-N 1 0 413.500 0.275 20 5 HCBDRO COCCN1CCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000619568903 1078914266 /nfs/dbraw/zinc/91/42/66/1078914266.db2.gz VIZULFJATOCVOY-UHFFFAOYSA-N 1 0 415.516 0.203 20 5 HCBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000619578502 1078916816 /nfs/dbraw/zinc/91/68/16/1078916816.db2.gz JQVMQSRCQLSYIB-CYBMUJFWSA-N 1 0 413.500 0.987 20 5 HCBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000619578511 1078916791 /nfs/dbraw/zinc/91/67/91/1078916791.db2.gz JQVMQSRCQLSYIB-ZDUSSCGKSA-N 1 0 413.500 0.987 20 5 HCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000619608049 1078920082 /nfs/dbraw/zinc/92/00/82/1078920082.db2.gz BYPWEOJPEUILCV-UHFFFAOYSA-N 1 0 408.455 0.395 20 5 HCBDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000619775860 1078935675 /nfs/dbraw/zinc/93/56/75/1078935675.db2.gz GTCHHIMYMWJZMM-AWEZNQCLSA-N 1 0 410.496 0.897 20 5 HCBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000619775861 1078936260 /nfs/dbraw/zinc/93/62/60/1078936260.db2.gz GTCHHIMYMWJZMM-CQSZACIVSA-N 1 0 410.496 0.897 20 5 HCBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)CC2)C1 ZINC000619775930 1078936149 /nfs/dbraw/zinc/93/61/49/1078936149.db2.gz IEVHGDWPLYTNJM-HNNXBMFYSA-N 1 0 410.496 0.850 20 5 HCBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)CC2)C1 ZINC000619775931 1078936369 /nfs/dbraw/zinc/93/63/69/1078936369.db2.gz IEVHGDWPLYTNJM-OAHLLOKOSA-N 1 0 410.496 0.850 20 5 HCBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N2CC[C@@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC000619794871 1078942475 /nfs/dbraw/zinc/94/24/75/1078942475.db2.gz YSFFUNDYVRKJSZ-INIZCTEOSA-N 1 0 404.464 0.736 20 5 HCBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N2CC[C@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC000619794872 1078942422 /nfs/dbraw/zinc/94/24/22/1078942422.db2.gz YSFFUNDYVRKJSZ-MRXNPFEDSA-N 1 0 404.464 0.736 20 5 HCBDRO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000619873531 1078951695 /nfs/dbraw/zinc/95/16/95/1078951695.db2.gz KYCVDXHHCZWTTO-HNNXBMFYSA-N 1 0 403.439 0.789 20 5 HCBDRO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000619873532 1078951856 /nfs/dbraw/zinc/95/18/56/1078951856.db2.gz KYCVDXHHCZWTTO-OAHLLOKOSA-N 1 0 403.439 0.789 20 5 HCBDRO CN(CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000737820604 1077910529 /nfs/dbraw/zinc/91/05/29/1077910529.db2.gz MHNIDEGAOXFUFH-HUUCEWRRSA-N 1 0 412.468 0.195 20 5 HCBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO)CC2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000762184814 1077823915 /nfs/dbraw/zinc/82/39/15/1077823915.db2.gz MPIDZVBEIXGWAU-UHFFFAOYSA-N 1 0 414.484 0.166 20 5 HCBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000762279923 1077835763 /nfs/dbraw/zinc/83/57/63/1077835763.db2.gz OKGLBGHBDMWECA-UHFFFAOYSA-N 1 0 404.876 0.951 20 5 HCBDRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000762700358 1077884896 /nfs/dbraw/zinc/88/48/96/1077884896.db2.gz NMFFRHDSISFPFZ-HNNXBMFYSA-N 1 0 415.244 0.787 20 5 HCBDRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000762700361 1077884928 /nfs/dbraw/zinc/88/49/28/1077884928.db2.gz NMFFRHDSISFPFZ-OAHLLOKOSA-N 1 0 415.244 0.787 20 5 HCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000762716231 1077891259 /nfs/dbraw/zinc/89/12/59/1077891259.db2.gz JOQUTHHRPOZEIA-CYBMUJFWSA-N 1 0 405.192 0.996 20 5 HCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000762716232 1077891294 /nfs/dbraw/zinc/89/12/94/1077891294.db2.gz JOQUTHHRPOZEIA-ZDUSSCGKSA-N 1 0 405.192 0.996 20 5 HCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCN3C(=O)OC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000763392523 1078099157 /nfs/dbraw/zinc/09/91/57/1078099157.db2.gz BQYAVFQJTALHGM-GFCCVEGCSA-N 1 0 413.456 0.076 20 5 HCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCN3C(=O)OC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000763392526 1078099294 /nfs/dbraw/zinc/09/92/94/1078099294.db2.gz BQYAVFQJTALHGM-LBPRGKRZSA-N 1 0 413.456 0.076 20 5 HCBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000765221342 1079399547 /nfs/dbraw/zinc/39/95/47/1079399547.db2.gz LOVZHVIAJIYNFV-CYBMUJFWSA-N 1 0 400.432 0.661 20 5 HCBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000765221343 1079399746 /nfs/dbraw/zinc/39/97/46/1079399746.db2.gz LOVZHVIAJIYNFV-ZDUSSCGKSA-N 1 0 400.432 0.661 20 5 HCBDRO CS(=O)(=O)N1CCN(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000765756313 1079697064 /nfs/dbraw/zinc/69/70/64/1079697064.db2.gz DCFTVMCYBZCYBB-UHFFFAOYSA-N 1 0 411.528 0.730 20 5 HCBDRO CC[NH+]1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000914687402 1077735018 /nfs/dbraw/zinc/73/50/18/1077735018.db2.gz OVVMYCUZUCVRFK-UHFFFAOYSA-N 1 0 413.500 0.858 20 5 HCBDRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCN(c3ccc([N+](=O)[O-])nc3)CC1)C2=O ZINC000914784347 1077753560 /nfs/dbraw/zinc/75/35/60/1077753560.db2.gz RICKAZFSFLLNHQ-UHFFFAOYSA-N 1 0 403.443 0.086 20 5 HCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 ZINC000915212488 1077840229 /nfs/dbraw/zinc/84/02/29/1077840229.db2.gz XCGIEQQAAYOROM-UHFFFAOYSA-N 1 0 414.484 0.778 20 5 HCBDRO C[NH+](C)CCCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCS(=O)(=O)C1 ZINC000915283000 1077851092 /nfs/dbraw/zinc/85/10/92/1077851092.db2.gz SWQXXWDPDVILQL-INIZCTEOSA-N 1 0 423.495 0.912 20 5 HCBDRO C[NH+](C)CCCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCS(=O)(=O)C1 ZINC000915283001 1077851051 /nfs/dbraw/zinc/85/10/51/1077851051.db2.gz SWQXXWDPDVILQL-MRXNPFEDSA-N 1 0 423.495 0.912 20 5 HCBDRO C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915882685 1078047361 /nfs/dbraw/zinc/04/73/61/1078047361.db2.gz RXZYJLMABWNZQG-DLBZAZTESA-N 1 0 409.487 0.314 20 5 HCBDRO C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915882686 1078047403 /nfs/dbraw/zinc/04/74/03/1078047403.db2.gz RXZYJLMABWNZQG-IAGOWNOFSA-N 1 0 409.487 0.314 20 5 HCBDRO C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915882687 1078047272 /nfs/dbraw/zinc/04/72/72/1078047272.db2.gz RXZYJLMABWNZQG-IRXDYDNUSA-N 1 0 409.487 0.314 20 5 HCBDRO C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915882688 1078047336 /nfs/dbraw/zinc/04/73/36/1078047336.db2.gz RXZYJLMABWNZQG-SJORKVTESA-N 1 0 409.487 0.314 20 5 HCBDRO C[C@@H]1C[NH+](CCCNC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000915882877 1078047318 /nfs/dbraw/zinc/04/73/18/1078047318.db2.gz VVYPZCSYTPPQKE-DTDBQYNISA-N 1 0 410.471 0.788 20 5 HCBDRO C[C@@H]1C[NH+](CCCNC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000915882878 1078047296 /nfs/dbraw/zinc/04/72/96/1078047296.db2.gz VVYPZCSYTPPQKE-DTTOXWODSA-N 1 0 410.471 0.788 20 5 HCBDRO 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 1078047413 /nfs/dbraw/zinc/04/74/13/1078047413.db2.gz VVYPZCSYTPPQKE-LTCOOKNTSA-N 1 0 410.471 0.788 20 5 HCBDRO 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 1078047702 /nfs/dbraw/zinc/04/77/02/1078047702.db2.gz VVYPZCSYTPPQKE-NONVJHHQSA-N 1 0 410.471 0.788 20 5 HCBDRO CC(C)[C@H](CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C)CC1 ZINC000915882928 1078047598 /nfs/dbraw/zinc/04/75/98/1078047598.db2.gz XGQYUFKPEBVKOU-CEXWTWQISA-N 1 0 423.514 0.560 20 5 HCBDRO CC(C)[C@H](CNC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C)CC1 ZINC000915882929 1078047550 /nfs/dbraw/zinc/04/75/50/1078047550.db2.gz XGQYUFKPEBVKOU-FHWLQOOXSA-N 1 0 423.514 0.560 20 5 HCBDRO CC(C)[C@H](CNC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C)CC1 ZINC000915882930 1078047520 /nfs/dbraw/zinc/04/75/20/1078047520.db2.gz XGQYUFKPEBVKOU-GBESFXJTSA-N 1 0 423.514 0.560 20 5 HCBDRO CC(C)[C@H](CNC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C)CC1 ZINC000915882931 1078047616 /nfs/dbraw/zinc/04/76/16/1078047616.db2.gz XGQYUFKPEBVKOU-QYZOEREBSA-N 1 0 423.514 0.560 20 5 HCBDRO C[NH+](C)CCN1CCC(NC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915883053 1078047251 /nfs/dbraw/zinc/04/72/51/1078047251.db2.gz YYALZJOUVCKHAZ-MSOLQXFVSA-N 1 0 409.487 0.314 20 5 HCBDRO C[NH+](C)CCN1CCC(NC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915883054 1078047223 /nfs/dbraw/zinc/04/72/23/1078047223.db2.gz YYALZJOUVCKHAZ-QZTJIDSGSA-N 1 0 409.487 0.314 20 5 HCBDRO C[NH+](C)CCN1CCC(NC(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915883055 1078047390 /nfs/dbraw/zinc/04/73/90/1078047390.db2.gz YYALZJOUVCKHAZ-ROUUACIJSA-N 1 0 409.487 0.314 20 5 HCBDRO C[NH+](C)CCN1CCC(NC(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915883067 1078047378 /nfs/dbraw/zinc/04/73/78/1078047378.db2.gz YYALZJOUVCKHAZ-ZWKOTPCHSA-N 1 0 409.487 0.314 20 5 HCBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000915884475 1078047812 /nfs/dbraw/zinc/04/78/12/1078047812.db2.gz ZXHUMMWMWGYUPW-FGTMMUONSA-N 1 0 410.471 0.645 20 5 HCBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000915884478 1078047865 /nfs/dbraw/zinc/04/78/65/1078047865.db2.gz ZXHUMMWMWGYUPW-KURKYZTESA-N 1 0 410.471 0.645 20 5 HCBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000915884479 1078048097 /nfs/dbraw/zinc/04/80/97/1078048097.db2.gz ZXHUMMWMWGYUPW-KZNAEPCWSA-N 1 0 410.471 0.645 20 5 HCBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000915884480 1078048144 /nfs/dbraw/zinc/04/81/44/1078048144.db2.gz ZXHUMMWMWGYUPW-SQNIBIBYSA-N 1 0 410.471 0.645 20 5 HCBDRO C[NH+](C)CCn1nnnc1SCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000916703054 1078134189 /nfs/dbraw/zinc/13/41/89/1078134189.db2.gz OTLJNQKIGBZOCF-UHFFFAOYSA-N 1 0 420.499 0.584 20 5 HCBDRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+][C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000916966685 1078180294 /nfs/dbraw/zinc/18/02/94/1078180294.db2.gz JXAPPALRLTVAJH-RCCFBDPRSA-N 1 0 410.448 0.716 20 5 HCBDRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCN(c3cccc([N+](=O)[O-])c3)CC1)C2=O ZINC000917456175 1078293965 /nfs/dbraw/zinc/29/39/65/1078293965.db2.gz GREGLUBNIXDAOJ-UHFFFAOYSA-N 1 0 402.455 0.691 20 5 HCBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000919504825 1078892102 /nfs/dbraw/zinc/89/21/02/1078892102.db2.gz COQRZMZTVQXIMY-ZDUSSCGKSA-N 1 0 412.418 0.946 20 5 HCBDRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)Cn3cnc([N+](=O)[O-])n3)cc2)CC1 ZINC000919519691 1078900366 /nfs/dbraw/zinc/90/03/66/1078900366.db2.gz USHRLRKLDJBWNR-UHFFFAOYSA-N 1 0 417.426 0.510 20 5 HCBDRO O=C(COC(=O)Cn1cnc([N+](=O)[O-])n1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000919520330 1078900824 /nfs/dbraw/zinc/90/08/24/1078900824.db2.gz MNHZDYSBNOCLNU-UHFFFAOYSA-N 1 0 402.411 0.642 20 5 HCBDRO C[C@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000919520381 1078900796 /nfs/dbraw/zinc/90/07/96/1078900796.db2.gz RLUUAIQXODSFJU-DZGCQCFKSA-N 1 0 402.411 0.509 20 5 HCBDRO C[C@@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000919520382 1078900840 /nfs/dbraw/zinc/90/08/40/1078900840.db2.gz RLUUAIQXODSFJU-HIFRSBDPSA-N 1 0 402.411 0.509 20 5 HCBDRO C[C@@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000919520383 1078900739 /nfs/dbraw/zinc/90/07/39/1078900739.db2.gz RLUUAIQXODSFJU-UKRRQHHQSA-N 1 0 402.411 0.509 20 5 HCBDRO C[C@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000919520384 1078900727 /nfs/dbraw/zinc/90/07/27/1078900727.db2.gz RLUUAIQXODSFJU-ZFWWWQNUSA-N 1 0 402.411 0.509 20 5 HCBDRO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000920089209 1079101016 /nfs/dbraw/zinc/10/10/16/1079101016.db2.gz XJSFUQBBOASADY-ACRUOGEOSA-N 1 0 401.463 0.998 20 5 HCBDRO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000920089210 1079101002 /nfs/dbraw/zinc/10/10/02/1079101002.db2.gz XJSFUQBBOASADY-HBMCJLEFSA-N 1 0 401.463 0.998 20 5 HCBDRO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000920089211 1079101128 /nfs/dbraw/zinc/10/11/28/1079101128.db2.gz XJSFUQBBOASADY-HKBOAZHASA-N 1 0 401.463 0.998 20 5 HCBDRO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000920089213 1079101562 /nfs/dbraw/zinc/10/15/62/1079101562.db2.gz XJSFUQBBOASADY-NJYVYQBISA-N 1 0 401.463 0.998 20 5 HCBDRO C[NH+]1CCC(NC(=S)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000920307280 1079146150 /nfs/dbraw/zinc/14/61/50/1079146150.db2.gz IHCQDPUVPKFYRP-UHFFFAOYSA-N 1 0 415.541 0.969 20 5 HCBDRO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)cc1 ZINC000920406274 1079153738 /nfs/dbraw/zinc/15/37/38/1079153738.db2.gz JQCKTUHDOQKNTD-ALKREAHSSA-N 1 0 406.391 0.747 20 5 HCBDRO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)cc1 ZINC000920406276 1079153584 /nfs/dbraw/zinc/15/35/84/1079153584.db2.gz JQCKTUHDOQKNTD-GMBSWORKSA-N 1 0 406.391 0.747 20 5 HCBDRO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)cc1 ZINC000920406277 1079153698 /nfs/dbraw/zinc/15/36/98/1079153698.db2.gz JQCKTUHDOQKNTD-OGWOLHLISA-N 1 0 406.391 0.747 20 5 HCBDRO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)cc1 ZINC000920406278 1079154128 /nfs/dbraw/zinc/15/41/28/1079154128.db2.gz JQCKTUHDOQKNTD-QOKNQOGYSA-N 1 0 406.391 0.747 20 5 HCBDRO CCN(CC)C(=O)CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000920760050 1079208321 /nfs/dbraw/zinc/20/83/21/1079208321.db2.gz OIMMIVMODPHMDQ-UHFFFAOYSA-N 1 0 401.489 0.715 20 5 HCBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000921143212 1079231426 /nfs/dbraw/zinc/23/14/26/1079231426.db2.gz KCWBTNLEYODVOL-AWEZNQCLSA-N 1 0 415.541 0.822 20 5 HCBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000921143214 1079231346 /nfs/dbraw/zinc/23/13/46/1079231346.db2.gz KCWBTNLEYODVOL-CQSZACIVSA-N 1 0 415.541 0.822 20 5 HCBDRO C[NH+]1CCC(NC(=S)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000921143870 1079231331 /nfs/dbraw/zinc/23/13/31/1079231331.db2.gz QWYLISVFMBVCIN-UHFFFAOYSA-N 1 0 401.514 0.431 20 5 HCBDRO O=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CC2)CC1 ZINC000921631762 1079776188 /nfs/dbraw/zinc/77/61/88/1079776188.db2.gz KQPVQLCOWCLGQC-UHFFFAOYSA-N 1 0 404.423 0.611 20 5 HCBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164669953 719490759 /nfs/dbraw/zinc/49/07/59/719490759.db2.gz WEMWJJZDDOXTRS-KBPBESRZSA-N 1 0 422.438 0.719 20 5 HCBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC001164669966 719491030 /nfs/dbraw/zinc/49/10/30/719491030.db2.gz WEMWJJZDDOXTRS-KGLIPLIRSA-N 1 0 422.438 0.719 20 5 HCBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164669970 719491820 /nfs/dbraw/zinc/49/18/20/719491820.db2.gz WEMWJJZDDOXTRS-UONOGXRCSA-N 1 0 422.438 0.719 20 5 HCBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164669976 719491274 /nfs/dbraw/zinc/49/12/74/719491274.db2.gz WEMWJJZDDOXTRS-ZIAGYGMSSA-N 1 0 422.438 0.719 20 5 HCBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-])CC2 ZINC001164690262 719755463 /nfs/dbraw/zinc/75/54/63/719755463.db2.gz XIZYEVKPVHWYON-UHFFFAOYSA-N 1 0 405.459 0.832 20 5 HCBDRO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164703440 719880439 /nfs/dbraw/zinc/88/04/39/719880439.db2.gz SJCCLLVJRLZICJ-AUUYWEPGSA-N 1 0 420.470 0.304 20 5 HCBDRO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164703442 719880677 /nfs/dbraw/zinc/88/06/77/719880677.db2.gz SJCCLLVJRLZICJ-IFXJQAMLSA-N 1 0 420.470 0.304 20 5 HCBDRO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164703447 719880410 /nfs/dbraw/zinc/88/04/10/719880410.db2.gz SJCCLLVJRLZICJ-KUHUBIRLSA-N 1 0 420.470 0.304 20 5 HCBDRO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164703453 719880463 /nfs/dbraw/zinc/88/04/63/719880463.db2.gz SJCCLLVJRLZICJ-LIRRHRJNSA-N 1 0 420.470 0.304 20 5 HCBDRO COc1nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001164712322 720164864 /nfs/dbraw/zinc/16/48/64/720164864.db2.gz FRCZUOCVQNBKBW-HNNXBMFYSA-N 1 0 418.458 0.738 20 5 HCBDRO COc1nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001164712328 720164847 /nfs/dbraw/zinc/16/48/47/720164847.db2.gz FRCZUOCVQNBKBW-OAHLLOKOSA-N 1 0 418.458 0.738 20 5 HCBDRO Cn1nnc2c1CCN(c1ncc([N+](=O)[O-])cc1N)[C@H]2COCC[NH+]1CCCC1 ZINC001164713333 720195371 /nfs/dbraw/zinc/19/53/71/720195371.db2.gz BFYLGFAJARYVEU-INIZCTEOSA-N 1 0 402.459 0.917 20 5 HCBDRO Cn1nnc2c1CCN(c1ncc([N+](=O)[O-])cc1N)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713335 720194860 /nfs/dbraw/zinc/19/48/60/720194860.db2.gz BFYLGFAJARYVEU-MRXNPFEDSA-N 1 0 402.459 0.917 20 5 HCBDRO Cn1nnc2c1CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])[C@H]2COCC[NH+]1CCCC1 ZINC001164714653 720166132 /nfs/dbraw/zinc/16/61/32/720166132.db2.gz REQQCZMUQJBVLT-INIZCTEOSA-N 1 0 403.443 0.573 20 5 HCBDRO Cn1nnc2c1CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])[C@@H]2COCC[NH+]1CCCC1 ZINC001164714657 720166115 /nfs/dbraw/zinc/16/61/15/720166115.db2.gz REQQCZMUQJBVLT-MRXNPFEDSA-N 1 0 403.443 0.573 20 5 HCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164715553 720189293 /nfs/dbraw/zinc/18/92/93/720189293.db2.gz KVVRWZMSSVLDDC-KRWDZBQOSA-N 1 0 417.470 0.881 20 5 HCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164715555 720189655 /nfs/dbraw/zinc/18/96/55/720189655.db2.gz KVVRWZMSSVLDDC-QGZVFWFLSA-N 1 0 417.470 0.881 20 5 HCBDRO Cn1nnc2c1CCN(c1cc(N)c([N+](=O)[O-])cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715954 720187471 /nfs/dbraw/zinc/18/74/71/720187471.db2.gz FNNFVUVYKADXFE-INIZCTEOSA-N 1 0 402.459 0.917 20 5 HCBDRO Cn1nnc2c1CCN(c1cc(N)c([N+](=O)[O-])cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715955 720186952 /nfs/dbraw/zinc/18/69/52/720186952.db2.gz FNNFVUVYKADXFE-MRXNPFEDSA-N 1 0 402.459 0.917 20 5 HCBDRO Cn1nnc2c1CCN(c1ccc([N+](=O)[O-])c(N)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717050 720187402 /nfs/dbraw/zinc/18/74/02/720187402.db2.gz JTLWLJDRMRKCOX-HNNXBMFYSA-N 1 0 402.459 0.917 20 5 HCBDRO Cn1nnc2c1CCN(c1ccc([N+](=O)[O-])c(N)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717051 720187104 /nfs/dbraw/zinc/18/71/04/720187104.db2.gz JTLWLJDRMRKCOX-OAHLLOKOSA-N 1 0 402.459 0.917 20 5 HCBDRO COc1ncnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001164717094 720181982 /nfs/dbraw/zinc/18/19/82/720181982.db2.gz KOWYALCWAQUTSO-AWEZNQCLSA-N 1 0 418.458 0.738 20 5 HCBDRO COc1ncnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001164717096 720181942 /nfs/dbraw/zinc/18/19/42/720181942.db2.gz KOWYALCWAQUTSO-CQSZACIVSA-N 1 0 418.458 0.738 20 5 HCBDRO COc1nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164740090 720694191 /nfs/dbraw/zinc/69/41/91/720694191.db2.gz PWPLGFHZUZGTER-NEPJUHHUSA-N 1 0 403.399 0.534 20 5 HCBDRO COc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164740091 720693048 /nfs/dbraw/zinc/69/30/48/720693048.db2.gz PWPLGFHZUZGTER-NWDGAFQWSA-N 1 0 403.399 0.534 20 5 HCBDRO COc1nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164740092 720692854 /nfs/dbraw/zinc/69/28/54/720692854.db2.gz PWPLGFHZUZGTER-RYUDHWBXSA-N 1 0 403.399 0.534 20 5 HCBDRO COc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164740093 720693608 /nfs/dbraw/zinc/69/36/08/720693608.db2.gz PWPLGFHZUZGTER-VXGBXAGGSA-N 1 0 403.399 0.534 20 5 HCBDRO COC(=O)c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164740503 720711881 /nfs/dbraw/zinc/71/18/81/720711881.db2.gz QRMUYUZAFCDVPK-CHWSQXEVSA-N 1 0 400.395 0.908 20 5 HCBDRO COC(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164740506 720712618 /nfs/dbraw/zinc/71/26/18/720712618.db2.gz QRMUYUZAFCDVPK-OLZOCXBDSA-N 1 0 400.395 0.908 20 5 HCBDRO COC(=O)c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164740510 720712054 /nfs/dbraw/zinc/71/20/54/720712054.db2.gz QRMUYUZAFCDVPK-QWHCGFSZSA-N 1 0 400.395 0.908 20 5 HCBDRO COC(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164740513 720711360 /nfs/dbraw/zinc/71/13/60/720711360.db2.gz QRMUYUZAFCDVPK-STQMWFEESA-N 1 0 400.395 0.908 20 5 HCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164741626 720802742 /nfs/dbraw/zinc/80/27/42/720802742.db2.gz BONBWSDWXJBNTM-KBPBESRZSA-N 1 0 414.426 0.784 20 5 HCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164741630 720803137 /nfs/dbraw/zinc/80/31/37/720803137.db2.gz BONBWSDWXJBNTM-KGLIPLIRSA-N 1 0 414.426 0.784 20 5 HCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164741634 720803133 /nfs/dbraw/zinc/80/31/33/720803133.db2.gz BONBWSDWXJBNTM-UONOGXRCSA-N 1 0 414.426 0.784 20 5 HCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164741636 720803676 /nfs/dbraw/zinc/80/36/76/720803676.db2.gz BONBWSDWXJBNTM-ZIAGYGMSSA-N 1 0 414.426 0.784 20 5 HCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742439 720628294 /nfs/dbraw/zinc/62/82/94/720628294.db2.gz NHJHTODKCSOWAF-KBPBESRZSA-N 1 0 400.395 0.908 20 5 HCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742441 720627615 /nfs/dbraw/zinc/62/76/15/720627615.db2.gz NHJHTODKCSOWAF-KGLIPLIRSA-N 1 0 400.395 0.908 20 5 HCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742442 720626871 /nfs/dbraw/zinc/62/68/71/720626871.db2.gz NHJHTODKCSOWAF-UONOGXRCSA-N 1 0 400.395 0.908 20 5 HCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742444 720629390 /nfs/dbraw/zinc/62/93/90/720629390.db2.gz NHJHTODKCSOWAF-ZIAGYGMSSA-N 1 0 400.395 0.908 20 5 HCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164744934 720805280 /nfs/dbraw/zinc/80/52/80/720805280.db2.gz JWOVXJXTQRAHBW-CHWSQXEVSA-N 1 0 400.395 0.908 20 5 HCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164744935 720804792 /nfs/dbraw/zinc/80/47/92/720804792.db2.gz JWOVXJXTQRAHBW-OLZOCXBDSA-N 1 0 400.395 0.908 20 5 HCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164744936 720804937 /nfs/dbraw/zinc/80/49/37/720804937.db2.gz JWOVXJXTQRAHBW-QWHCGFSZSA-N 1 0 400.395 0.908 20 5 HCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164744937 720805400 /nfs/dbraw/zinc/80/54/00/720805400.db2.gz JWOVXJXTQRAHBW-STQMWFEESA-N 1 0 400.395 0.908 20 5 HCBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])CC2 ZINC001164749468 720958547 /nfs/dbraw/zinc/95/85/47/720958547.db2.gz FCRCDRDAWSNFJE-UHFFFAOYSA-N 1 0 410.818 0.724 20 5 HCBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CC2 ZINC001164750163 720955852 /nfs/dbraw/zinc/95/58/52/720955852.db2.gz KFRFXAFCTGCECR-UHFFFAOYSA-N 1 0 410.818 0.724 20 5 HCBDRO COC(=O)c1cnc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c([N+](=O)[O-])c1 ZINC001164750548 720951392 /nfs/dbraw/zinc/95/13/92/720951392.db2.gz LCGIAOONZWPVKS-UHFFFAOYSA-N 1 0 418.410 0.619 20 5 HCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164750668 720946714 /nfs/dbraw/zinc/94/67/14/720946714.db2.gz MMDVAYLQGLRDPP-UHFFFAOYSA-N 1 0 418.410 0.619 20 5 HCBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC001164751592 720950691 /nfs/dbraw/zinc/95/06/91/720950691.db2.gz UHZVVDUMJBTCPD-UHFFFAOYSA-N 1 0 405.371 0.740 20 5 HCBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001164752435 720955199 /nfs/dbraw/zinc/95/51/99/720955199.db2.gz YAGAOVLQFPGHNV-UHFFFAOYSA-N 1 0 405.415 0.544 20 5 HCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001164753686 720969373 /nfs/dbraw/zinc/96/93/73/720969373.db2.gz IABIIQRXCXAMBE-UHFFFAOYSA-N 1 0 418.410 0.619 20 5 HCBDRO O=[N+]([O-])c1c(N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)ncnc1N1CC[NH2+]CC1 ZINC001164790710 721396852 /nfs/dbraw/zinc/39/68/52/721396852.db2.gz XKNVDPHRGJCDLX-KBPBESRZSA-N 1 0 416.511 0.819 20 5 HCBDRO O=[N+]([O-])c1c(N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)ncnc1N1CC[NH2+]CC1 ZINC001164790711 721396587 /nfs/dbraw/zinc/39/65/87/721396587.db2.gz XKNVDPHRGJCDLX-OKILXGFUSA-N 1 0 416.511 0.819 20 5 HCBDRO O=[N+]([O-])c1c(N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)ncnc1N1CC[NH2+]CC1 ZINC001164790712 721396408 /nfs/dbraw/zinc/39/64/08/721396408.db2.gz XKNVDPHRGJCDLX-ZIAGYGMSSA-N 1 0 416.511 0.819 20 5 HCBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164794043 721513988 /nfs/dbraw/zinc/51/39/88/721513988.db2.gz CKXGWNOHNOYAJD-UHFFFAOYSA-N 1 0 402.459 0.666 20 5 HCBDRO COc1nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc(OC)c1[N+](=O)[O-] ZINC001164794286 721513415 /nfs/dbraw/zinc/51/34/15/721513415.db2.gz MRCNDGGUGRFFGI-UHFFFAOYSA-N 1 0 418.458 0.366 20 5 HCBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC3)CC1 ZINC001164794597 721511402 /nfs/dbraw/zinc/51/14/02/721511402.db2.gz STHQCOSMQAXSSC-UHFFFAOYSA-N 1 0 402.415 0.862 20 5 HCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164795665 721522810 /nfs/dbraw/zinc/52/28/10/721522810.db2.gz QRLVFALKVIIGLQ-UHFFFAOYSA-N 1 0 415.454 0.741 20 5 HCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164796588 721509349 /nfs/dbraw/zinc/50/93/49/721509349.db2.gz SSOVHWDZYNWSPB-UHFFFAOYSA-N 1 0 415.454 0.741 20 5 HCBDRO COC(=O)c1ccnc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c1[N+](=O)[O-] ZINC001164796723 721515078 /nfs/dbraw/zinc/51/50/78/721515078.db2.gz AJQAUTKYNHMTDE-UHFFFAOYSA-N 1 0 415.454 0.741 20 5 HCBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC3)CC1 ZINC001164797115 721514860 /nfs/dbraw/zinc/51/48/60/721514860.db2.gz GUMDYDCBXNZLHZ-UHFFFAOYSA-N 1 0 407.862 0.846 20 5 HCBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC3)CC1 ZINC001164798365 721515915 /nfs/dbraw/zinc/51/59/15/721515915.db2.gz SGCXQRDNLQKPSK-UHFFFAOYSA-N 1 0 407.862 0.846 20 5 HCBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(NC(C)=O)nc(C)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164865262 720889527 /nfs/dbraw/zinc/88/95/27/720889527.db2.gz ZKKUGXHLBNQJCW-CABCVRRESA-N 1 0 408.459 0.825 20 5 HCBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(NC(C)=O)nc(C)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164865263 720889353 /nfs/dbraw/zinc/88/93/53/720889353.db2.gz ZKKUGXHLBNQJCW-GJZGRUSLSA-N 1 0 408.459 0.825 20 5 HCBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(NC(C)=O)nc(C)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164865264 720889338 /nfs/dbraw/zinc/88/93/38/720889338.db2.gz ZKKUGXHLBNQJCW-HUUCEWRRSA-N 1 0 408.459 0.825 20 5 HCBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(NC(C)=O)nc(C)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164865265 720889578 /nfs/dbraw/zinc/88/95/78/720889578.db2.gz ZKKUGXHLBNQJCW-LSDHHAIUSA-N 1 0 408.459 0.825 20 5 HCBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001164868522 721272502 /nfs/dbraw/zinc/27/25/02/721272502.db2.gz AHMGFMDIBFFENB-UHFFFAOYSA-N 1 0 422.486 0.709 20 5 HCBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)C1 ZINC001164868543 721268730 /nfs/dbraw/zinc/26/87/30/721268730.db2.gz BCMLGOJLOSFIBF-UHFFFAOYSA-N 1 0 422.442 0.905 20 5 HCBDRO COc1ncnc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c1[N+](=O)[O-] ZINC001164870388 721273138 /nfs/dbraw/zinc/27/31/38/721273138.db2.gz XLXWEZPJQPPXRY-UHFFFAOYSA-N 1 0 408.459 0.400 20 5 HCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164872444 721278924 /nfs/dbraw/zinc/27/89/24/721278924.db2.gz CXHUYFFQPSSMKZ-UHFFFAOYSA-N 1 0 407.471 0.544 20 5 HCBDRO COc1nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)ncc1[N+](=O)[O-] ZINC001164873258 721260506 /nfs/dbraw/zinc/26/05/06/721260506.db2.gz HGNQDBYNQUXWOP-UHFFFAOYSA-N 1 0 408.459 0.400 20 5 HCBDRO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@@H]21 ZINC001164948433 721964583 /nfs/dbraw/zinc/96/45/83/721964583.db2.gz UZMFIZAFECGZKS-DLBZAZTESA-N 1 0 415.454 0.766 20 5 HCBDRO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@H]21 ZINC001164948441 721964521 /nfs/dbraw/zinc/96/45/21/721964521.db2.gz UZMFIZAFECGZKS-IAGOWNOFSA-N 1 0 415.454 0.766 20 5 HCBDRO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@@H]21 ZINC001164948442 721964465 /nfs/dbraw/zinc/96/44/65/721964465.db2.gz UZMFIZAFECGZKS-IRXDYDNUSA-N 1 0 415.454 0.766 20 5 HCBDRO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@H]21 ZINC001164948443 721964578 /nfs/dbraw/zinc/96/45/78/721964578.db2.gz UZMFIZAFECGZKS-SJORKVTESA-N 1 0 415.454 0.766 20 5 HCBDRO COc1nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc(OC)c1[N+](=O)[O-] ZINC001165010149 721737299 /nfs/dbraw/zinc/73/72/99/721737299.db2.gz CMMGBCPOKJDACE-UHFFFAOYSA-N 1 0 408.459 0.925 20 5 HCBDRO CC(C)N(C)Cc1nnc2n1CCCN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)C2 ZINC001165011821 721722439 /nfs/dbraw/zinc/72/24/39/721722439.db2.gz VWFGMTVZUMMWQT-UHFFFAOYSA-N 1 0 401.475 0.914 20 5 HCBDRO COc1cc(OC)nc(CN2CCN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)CC2)n1 ZINC001165030459 721851853 /nfs/dbraw/zinc/85/18/53/721851853.db2.gz XPNBZFXLAYQDKB-UHFFFAOYSA-N 1 0 416.442 0.201 20 5 HCBDRO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCN(CCOc2ccccc2)CC1 ZINC001165044276 721953479 /nfs/dbraw/zinc/95/34/79/721953479.db2.gz KURQHQMHVWOLGT-UHFFFAOYSA-N 1 0 413.482 0.995 20 5 HCBDRO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCC([NH+]2CCOCC2)CC1 ZINC001168663817 1080385402 /nfs/dbraw/zinc/38/54/02/1080385402.db2.gz RTUNILTYSVDHCX-UHFFFAOYSA-N 1 0 402.407 0.514 20 5 HCBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC001212278665 1078720337 /nfs/dbraw/zinc/72/03/37/1078720337.db2.gz UKOSLRKPENIQPI-GFCCVEGCSA-N 1 0 407.452 0.884 20 5 HCBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC001212278666 1078720384 /nfs/dbraw/zinc/72/03/84/1078720384.db2.gz UKOSLRKPENIQPI-LBPRGKRZSA-N 1 0 407.452 0.884 20 5 HCBDRO CC(C)C[C@H](NC(=O)CNC(=O)C[NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001212298833 1078814716 /nfs/dbraw/zinc/81/47/16/1078814716.db2.gz WIRXFJABCVKCOR-JTQLQIEISA-N 1 0 409.378 0.457 20 5 HCBDRO COc1c(F)cc(S(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC001212374084 1079910964 /nfs/dbraw/zinc/91/09/64/1079910964.db2.gz OIGMMIBFJHLUQE-UHFFFAOYSA-N 1 0 404.420 0.137 20 5 HCBDRO CC(C)C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001212452576 1080595158 /nfs/dbraw/zinc/59/51/58/1080595158.db2.gz AMOHJAMCBRHCHO-KBPBESRZSA-N 1 0 413.500 0.845 20 5 HCBDRO CC(C)C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001212452577 1080595131 /nfs/dbraw/zinc/59/51/31/1080595131.db2.gz AMOHJAMCBRHCHO-KGLIPLIRSA-N 1 0 413.500 0.845 20 5 HCBDRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC001212497083 1080870896 /nfs/dbraw/zinc/87/08/96/1080870896.db2.gz KNGNLCOTMMBIFF-GFCCVEGCSA-N 1 0 401.441 0.507 20 5 HCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1C[NH+](C2CCOCC2)C1 ZINC001626063632 1080481056 /nfs/dbraw/zinc/48/10/56/1080481056.db2.gz VXTDAIJNDYVFAQ-UHFFFAOYSA-N 1 0 412.468 0.100 20 5 HCBDRO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC001670969923 1080047677 /nfs/dbraw/zinc/04/76/77/1080047677.db2.gz RRGHELDFBSUSTC-AWEZNQCLSA-N 1 0 414.484 0.361 20 5 HCBDRO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC001670969924 1080047643 /nfs/dbraw/zinc/04/76/43/1080047643.db2.gz RRGHELDFBSUSTC-CQSZACIVSA-N 1 0 414.484 0.361 20 5 HCBDRO