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+](C)C[C@@](C)(O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000161467831 638549686 /nfs/dbraw/zinc/54/96/86/638549686.db2.gz PFGAGZSIDSHBKN-LBPRGKRZSA-N 1 0 396.263 0.948 10 5 GCBERO NS(=O)(=O)c1ccc(NCCC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262370211 1186092745 /nfs/dbraw/zinc/09/27/45/1186092745.db2.gz LLZZIEYFAJVUHG-WCFLWFBJSA-N 1 0 397.457 0.240 10 5 GCBERO C[NH+](C)C1(CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000438519278 1195669656 /nfs/dbraw/zinc/66/96/56/1195669656.db2.gz VOZFJEIXDHGWPU-UHFFFAOYSA-N 1 0 384.458 0.864 10 5 GCBERO C[NH+]1CCC(O)(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000474980243 1196206097 /nfs/dbraw/zinc/20/60/97/1196206097.db2.gz BOGGODSLQKJFNR-LBPRGKRZSA-N 1 0 380.401 0.365 10 5 GCBERO C[C@@H]1C[C@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000524651328 1196613522 /nfs/dbraw/zinc/61/35/22/1196613522.db2.gz NWWFEJKTNMJNPU-CHWSQXEVSA-N 1 0 384.458 0.862 10 5 GCBERO CC1(C)CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCN1CCO ZINC000614894452 1197484999 /nfs/dbraw/zinc/48/49/99/1197484999.db2.gz DHQINVYQYICHKT-CYBMUJFWSA-N 1 0 394.428 0.708 10 5 GCBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])cc1I ZINC000262285419 530212861 /nfs/dbraw/zinc/21/28/61/530212861.db2.gz OEXMOPCUZLWLEP-WRWORJQWSA-N 1 0 391.165 0.510 10 5 GCBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc([N+](=O)[O-])ccc1I ZINC000702812458 640125532 /nfs/dbraw/zinc/12/55/32/640125532.db2.gz JYZNUYJXEDZDTN-HQJQHLMTSA-N 1 0 391.165 0.510 10 5 GCBERO CN(CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000261841562 1185273887 /nfs/dbraw/zinc/27/38/87/1185273887.db2.gz PGDQOZKWGXKUMU-NNQSOWQGSA-N 1 0 396.469 0.957 10 5 GCBERO C[NH+](C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000728404336 1186120381 /nfs/dbraw/zinc/12/03/81/1186120381.db2.gz ITSPVXMUTYXMMF-UHFFFAOYSA-N 1 0 391.472 0.751 10 5 GCBERO NS(=O)(=O)c1ccc(NCCC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000262499881 1186301909 /nfs/dbraw/zinc/30/19/09/1186301909.db2.gz AXEVRQJIWMJWTI-FOSCPWQOSA-N 1 0 397.457 0.443 10 5 GCBERO CN(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000524652972 1196613871 /nfs/dbraw/zinc/61/38/71/1196613871.db2.gz LECODTSGRVWIFH-CQSZACIVSA-N 1 0 384.458 0.816 10 5 GCBERO CCOC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC12COC2 ZINC000451131662 1196974634 /nfs/dbraw/zinc/97/46/34/1196974634.db2.gz HOTCSFHXPDOCFG-KBPBESRZSA-N 1 0 380.397 0.846 10 5 GCBERO O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000452348267 1197053741 /nfs/dbraw/zinc/05/37/41/1197053741.db2.gz KTKDKMSSCDCLEA-UONOGXRCSA-N 1 0 394.428 0.755 10 5 GCBERO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000452378749 1197058341 /nfs/dbraw/zinc/05/83/41/1197058341.db2.gz XRBZAPYRSLWOBK-KBPBESRZSA-N 1 0 394.428 0.755 10 5 GCBERO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000452378758 1197058786 /nfs/dbraw/zinc/05/87/86/1197058786.db2.gz XRBZAPYRSLWOBK-UONOGXRCSA-N 1 0 394.428 0.755 10 5 GCBERO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000499630664 1199374339 /nfs/dbraw/zinc/37/43/39/1199374339.db2.gz JBBKCCVCZNZUOS-UHFFFAOYSA-N 1 0 396.469 0.960 10 5 GCBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc([N+](=O)[O-])ccc1I ZINC000702812449 640125424 /nfs/dbraw/zinc/12/54/24/640125424.db2.gz JYZNUYJXEDZDTN-CPCISQLKSA-N 1 0 391.165 0.510 10 5 GCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000610870265 1186249660 /nfs/dbraw/zinc/24/96/60/1186249660.db2.gz NFHIQCZEXFHBJT-UHFFFAOYSA-N 1 0 376.373 0.939 10 5 GCBERO O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000474309863 1196107696 /nfs/dbraw/zinc/10/76/96/1196107696.db2.gz JXXSKWHXJJDHBN-ZDUSSCGKSA-N 1 0 380.401 0.631 10 5 GCBERO C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N1CC[NH+](C)CC1 ZINC000524417752 1196593643 /nfs/dbraw/zinc/59/36/43/1196593643.db2.gz SVHXULZMZAGLRP-KGLIPLIRSA-N 1 0 393.444 0.545 10 5 GCBERO CCOC(=O)[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC12COC2 ZINC000451123728 1196973588 /nfs/dbraw/zinc/97/35/88/1196973588.db2.gz FDAINZOJXJFDNI-GOEBONIOSA-N 1 0 380.397 0.846 10 5 GCBERO C[NH+](C)CCNS(=O)(=O)c1ccc(NC[C@H](O)C(F)F)c([N+](=O)[O-])c1 ZINC000435598370 530256435 /nfs/dbraw/zinc/25/64/35/530256435.db2.gz RBQUTAMZNYHSFS-LBPRGKRZSA-N 1 0 382.389 0.473 10 5 GCBERO [NH3+]C1C[C@H]2CS(=O)(=O)C[C@@H](C1)C2NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000377322688 530900647 /nfs/dbraw/zinc/90/06/47/530900647.db2.gz NXDBQNPGCKUPMA-QLHKPRNWSA-N 1 0 389.455 0.024 10 5 GCBERO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000452378757 1197058189 /nfs/dbraw/zinc/05/81/89/1197058189.db2.gz XRBZAPYRSLWOBK-KGLIPLIRSA-N 1 0 394.428 0.755 10 5 GCBERO C[NH+](C)CCN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000111660454 1199172558 /nfs/dbraw/zinc/17/25/58/1199172558.db2.gz XUIHIBRQIVWCET-CQSZACIVSA-N 1 0 393.444 0.498 10 5 GCBERO NS(=O)(=O)c1ccc(NCCC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000262370193 1186103954 /nfs/dbraw/zinc/10/39/54/1186103954.db2.gz LLZZIEYFAJVUHG-CYZMBNFOSA-N 1 0 397.457 0.240 10 5 GCBERO NS(=O)(=O)c1ccc(NCCC(=O)N2C[C@@H]3[C@H]([NH3+])CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000262370201 1186104101 /nfs/dbraw/zinc/10/41/01/1186104101.db2.gz LLZZIEYFAJVUHG-KGYLQXTDSA-N 1 0 397.457 0.240 10 5 GCBERO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cn1 ZINC000610869518 1186248560 /nfs/dbraw/zinc/24/85/60/1186248560.db2.gz ZRZGNLJESZUOKS-UHFFFAOYSA-N 1 0 389.416 0.520 10 5 GCBERO COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000518941298 1195348009 /nfs/dbraw/zinc/34/80/09/1195348009.db2.gz PPVHJWUTWSZKKM-CHWSQXEVSA-N 1 0 380.401 0.629 10 5 GCBERO C[C@H]1C[C@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000524651330 1196613328 /nfs/dbraw/zinc/61/33/28/1196613328.db2.gz NWWFEJKTNMJNPU-QWHCGFSZSA-N 1 0 384.458 0.862 10 5 GCBERO C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000509658353 1196736118 /nfs/dbraw/zinc/73/61/18/1196736118.db2.gz PNIXJSKBMJDCKX-OLZOCXBDSA-N 1 0 384.458 0.814 10 5 GCBERO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000509658352 1196736237 /nfs/dbraw/zinc/73/62/37/1196736237.db2.gz PNIXJSKBMJDCKX-CHWSQXEVSA-N 1 0 384.458 0.814 10 5 GCBERO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449731398 1196895463 /nfs/dbraw/zinc/89/54/63/1196895463.db2.gz IPSZLSRWTVQDIC-SWLSCSKDSA-N 1 0 382.442 0.474 10 5 GCBERO C[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000611238041 1201224755 /nfs/dbraw/zinc/22/47/55/1201224755.db2.gz JDDFPMRGAKYHFH-UHFFFAOYSA-N 1 0 384.458 0.816 10 5 GCBERO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000731879428 1201507127 /nfs/dbraw/zinc/50/71/27/1201507127.db2.gz XXZYPOOJIBXZEW-BFHYXJOUSA-N 1 0 392.412 0.772 10 5 GCBERO Cc1c(Cl)cc(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000261730456 530191844 /nfs/dbraw/zinc/19/18/44/530191844.db2.gz RSAXGCMYDKLZDH-UHFFFAOYSA-N 1 0 390.849 0.609 10 5 GCBERO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261924599 530194419 /nfs/dbraw/zinc/19/44/19/530194419.db2.gz SCKXVDVWPALYNJ-UHFFFAOYSA-N 1 0 376.822 0.301 10 5 GCBERO C[NH+](C)C[C@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000511982093 1192338644 /nfs/dbraw/zinc/33/86/44/1192338644.db2.gz GZOSJFXWJKTCLQ-CYBMUJFWSA-N 1 0 384.458 0.673 10 5 GCBERO C[NH+](C)CCN1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000513445257 1193952754 /nfs/dbraw/zinc/95/27/54/1193952754.db2.gz WTNJRSLRZOMLGE-UHFFFAOYSA-N 1 0 392.460 0.100 10 5 GCBERO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000517494105 1195186400 /nfs/dbraw/zinc/18/64/00/1195186400.db2.gz UDLSTJVTDIJDGX-CYBMUJFWSA-N 1 0 396.469 0.864 10 5 GCBERO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000517494106 1195186483 /nfs/dbraw/zinc/18/64/83/1195186483.db2.gz UDLSTJVTDIJDGX-ZDUSSCGKSA-N 1 0 396.469 0.864 10 5 GCBERO CC[N@@H+]1CC[C@@H](CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000521717221 1196013144 /nfs/dbraw/zinc/01/31/44/1196013144.db2.gz STQJTNDNRCPSJL-ZDUSSCGKSA-N 1 0 384.458 0.721 10 5 GCBERO C[C@]1(C(N)=O)CCCCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000185961310 1196219014 /nfs/dbraw/zinc/21/90/14/1196219014.db2.gz JLFTYLZCRXKQCY-LJQANCHMSA-N 1 0 389.456 0.973 10 5 GCBERO C[NH+](C)CCN1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000523703144 1196551798 /nfs/dbraw/zinc/55/17/98/1196551798.db2.gz DUMSOJXJLNAEGK-UHFFFAOYSA-N 1 0 391.428 0.026 10 5 GCBERO C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N1CC[NH+](C)CC1 ZINC000524417754 1196593926 /nfs/dbraw/zinc/59/39/26/1196593926.db2.gz SVHXULZMZAGLRP-ZIAGYGMSSA-N 1 0 393.444 0.545 10 5 GCBERO C[NH+](C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000448600222 1196819685 /nfs/dbraw/zinc/81/96/85/1196819685.db2.gz DWYRFXJNVKKREG-UHFFFAOYSA-N 1 0 382.486 0.999 10 5 GCBERO CCOC(=O)[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC12COC2 ZINC000451123727 1196973485 /nfs/dbraw/zinc/97/34/85/1196973485.db2.gz FDAINZOJXJFDNI-GDBMZVCRSA-N 1 0 380.397 0.846 10 5 GCBERO [NH3+]C1C[C@H]2CS(=O)(=O)C[C@@H](C1)C2NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000365476947 530316223 /nfs/dbraw/zinc/31/62/23/530316223.db2.gz VUVAJOUJOXLTGT-QLHKPRNWSA-N 1 0 389.455 0.024 10 5 GCBERO C[NH+](C)C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000511982094 1192338567 /nfs/dbraw/zinc/33/85/67/1192338567.db2.gz GZOSJFXWJKTCLQ-ZDUSSCGKSA-N 1 0 384.458 0.673 10 5 GCBERO O=C(c1ccc(N2CCC[N@@H+](CCO)CC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000610075927 1185029509 /nfs/dbraw/zinc/02/95/09/1185029509.db2.gz FHYRZYNXJJTAAG-UHFFFAOYSA-N 1 0 378.429 0.572 10 5 GCBERO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261653188 1185224509 /nfs/dbraw/zinc/22/45/09/1185224509.db2.gz BOMKFJXGNIEQBP-OKILXGFUSA-N 1 0 396.469 0.721 10 5 GCBERO CC[N@@H+]1CC[C@@H](CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000561137054 1185261005 /nfs/dbraw/zinc/26/10/05/1185261005.db2.gz JKVKNFDAFROQIT-ZDUSSCGKSA-N 1 0 384.458 0.721 10 5 GCBERO O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000452348268 1189464672 /nfs/dbraw/zinc/46/46/72/1189464672.db2.gz KTKDKMSSCDCLEA-ZIAGYGMSSA-N 1 0 394.428 0.755 10 5 GCBERO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000440539094 1196519481 /nfs/dbraw/zinc/51/94/81/1196519481.db2.gz WDOCJTGCJYSVSE-UHFFFAOYSA-N 1 0 389.416 0.976 10 5 GCBERO O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000452348266 1197053555 /nfs/dbraw/zinc/05/35/55/1197053555.db2.gz KTKDKMSSCDCLEA-KGLIPLIRSA-N 1 0 394.428 0.755 10 5 GCBERO C[NH+](C)[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000520212146 1197091443 /nfs/dbraw/zinc/09/14/43/1197091443.db2.gz OELFXGPAFPIVOF-AWEZNQCLSA-N 1 0 384.458 0.816 10 5 GCBERO C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000102609385 1197233847 /nfs/dbraw/zinc/23/38/47/1197233847.db2.gz AURXOZCPPPSLNU-LBPRGKRZSA-N 1 0 391.407 0.955 10 5 GCBERO COC(=O)COc1ccc(CN(C)CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000261938027 1197519737 /nfs/dbraw/zinc/51/97/37/1197519737.db2.gz MIECDOCBFGKIIL-UHFFFAOYSA-N 1 0 380.401 0.010 10 5 GCBERO CC1(C)O[C@H]2O[C@H](COCC[N+]3(C)CCOCC3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000039715206 717127160 /nfs/dbraw/zinc/12/71/60/717127160.db2.gz BNUYMCNISJJNFU-DRRXZNNHSA-N 1 0 388.481 0.876 10 5 GCBERO O=C(CC[C@@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000261894392 1185282413 /nfs/dbraw/zinc/28/24/13/1185282413.db2.gz XFQXCQDRTLFOBK-CQSZACIVSA-N 1 0 396.469 0.817 10 5 GCBERO C[C@H]1C[C@@H](C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000262319815 1185738302 /nfs/dbraw/zinc/73/83/02/1185738302.db2.gz CMWCKLRGSMUPSH-RYUDHWBXSA-N 1 0 384.458 0.915 10 5 GCBERO CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000521160890 1195970035 /nfs/dbraw/zinc/97/00/35/1195970035.db2.gz NIJNIFYESSBQPF-OLZOCXBDSA-N 1 0 379.417 0.154 10 5 GCBERO C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N1CC[NH+](C)CC1 ZINC000524417751 1196593583 /nfs/dbraw/zinc/59/35/83/1196593583.db2.gz SVHXULZMZAGLRP-KBPBESRZSA-N 1 0 393.444 0.545 10 5 GCBERO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000509658354 1196736028 /nfs/dbraw/zinc/73/60/28/1196736028.db2.gz PNIXJSKBMJDCKX-QWHCGFSZSA-N 1 0 384.458 0.814 10 5 GCBERO CC1(C)C[NH2+]CC[C@H]1NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000449700728 1196893329 /nfs/dbraw/zinc/89/33/29/1196893329.db2.gz UTFKKDZFOPSPJV-CQSZACIVSA-N 1 0 384.458 0.768 10 5 GCBERO C[NH+]1CCN(CCCNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000110607864 1199134285 /nfs/dbraw/zinc/13/42/85/1199134285.db2.gz PGKOHOAPHQWQBC-AWEZNQCLSA-N 1 0 393.444 0.546 10 5 GCBERO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261672142 1185229045 /nfs/dbraw/zinc/22/90/45/1185229045.db2.gz CSJJBHQGHPAWJY-OKILXGFUSA-N 1 0 396.469 0.721 10 5 GCBERO NS(=O)(=O)c1ccc(NCCC(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000262370206 1186091991 /nfs/dbraw/zinc/09/19/91/1186091991.db2.gz LLZZIEYFAJVUHG-RAIGVLPGSA-N 1 0 397.457 0.240 10 5 GCBERO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000610869759 1186248539 /nfs/dbraw/zinc/24/85/39/1186248539.db2.gz MNHSYPAXYDTASK-UHFFFAOYSA-N 1 0 390.400 0.487 10 5 GCBERO 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