smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000619531349 1125609251 /nfs/dbraw/zinc/60/92/51/1125609251.db2.gz QXDJHPDPOREKCC-RXVVDRJESA-N 1 0 370.449 4.203 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182817672 1125637486 /nfs/dbraw/zinc/63/74/86/1125637486.db2.gz CEPJUHIPPGBYCA-WFASDCNBSA-N 1 0 368.359 4.208 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC(C4CCOCC4)C3)s2)cc1 ZINC000619726628 1125670927 /nfs/dbraw/zinc/67/09/27/1125670927.db2.gz VTNNJHWVJPMXDT-UHFFFAOYSA-N 1 0 358.463 4.182 20 5 FIBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000133696251 1079852960 /nfs/dbraw/zinc/85/29/60/1079852960.db2.gz POWXQIKUAUWNHE-NVXWUHKLSA-N 1 0 373.840 4.113 20 5 FIBDRO CCc1nc(C)c([C@@H](C)[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000610215084 1079976503 /nfs/dbraw/zinc/97/65/03/1079976503.db2.gz LVBUODQOZMELMY-CQSZACIVSA-N 1 0 363.483 4.384 20 5 FIBDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000608836567 1079981063 /nfs/dbraw/zinc/98/10/63/1079981063.db2.gz UJGJOBNXBQPOGP-MNOVXSKESA-N 1 0 365.227 4.363 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000430230590 1080036786 /nfs/dbraw/zinc/03/67/86/1080036786.db2.gz ABWBPQXDMBKLCH-UHFFFAOYSA-N 1 0 370.449 4.032 20 5 FIBDRO C[N@H+](CCCOc1cccc(Cl)c1)CCOc1ccccc1[N+](=O)[O-] ZINC001167094706 1080343376 /nfs/dbraw/zinc/34/33/76/1080343376.db2.gz ZHWXFVHCWVQAQQ-UHFFFAOYSA-N 1 0 364.829 4.028 20 5 FIBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1n1ccnc1 ZINC000246909968 1080543725 /nfs/dbraw/zinc/54/37/25/1080543725.db2.gz UPUHRQYIASSOMS-DNVCBOLYSA-N 1 0 366.421 4.134 20 5 FIBDRO COc1ccc(C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C2CC2)cc1 ZINC001167131172 1080659821 /nfs/dbraw/zinc/65/98/21/1080659821.db2.gz LLJDZDFWVAUTKL-MRXNPFEDSA-N 1 0 354.450 4.447 20 5 FIBDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@@H]2CCO[C@H]21 ZINC000247100766 1080792692 /nfs/dbraw/zinc/79/26/92/1080792692.db2.gz VDWPJKHBXLSEMX-BMGDILEWSA-N 1 0 358.463 4.226 20 5 FIBDRO CC[C@H](C)[N@H+](CCc1ccccc1F)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001167244068 1080901472 /nfs/dbraw/zinc/90/14/72/1080901472.db2.gz FJYIHZFTANGGGT-MGPUTAFESA-N 1 0 360.429 4.111 20 5 FIBDRO COC[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(C)C ZINC000610271173 1080987145 /nfs/dbraw/zinc/98/71/45/1080987145.db2.gz CMRBOTPZDJABIS-GOSISDBHSA-N 1 0 357.454 4.123 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2csc(C(F)(F)F)c2)n1 ZINC000599089247 1081081158 /nfs/dbraw/zinc/08/11/58/1081081158.db2.gz YOFFCUOYHBWNQT-NEPJUHHUSA-N 1 0 374.388 4.145 20 5 FIBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001648813803 1081215330 /nfs/dbraw/zinc/21/53/30/1081215330.db2.gz AHAPVBYMWZVXPH-IAGOWNOFSA-N 1 0 371.481 4.312 20 5 FIBDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000177533127 1081226831 /nfs/dbraw/zinc/22/68/31/1081226831.db2.gz IBJIODAFLRSHSQ-KBXCAEBGSA-N 1 0 364.405 4.023 20 5 FIBDRO C[C@@H]1C[C@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000610003579 1081371070 /nfs/dbraw/zinc/37/10/70/1081371070.db2.gz XERCDIVENPXBQU-SJLPKXTDSA-N 1 0 371.456 4.219 20 5 FIBDRO COc1cccc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000379664033 1081851696 /nfs/dbraw/zinc/85/16/96/1081851696.db2.gz NNBVNBWUAUQHGQ-RDJZCZTQSA-N 1 0 355.438 4.068 20 5 FIBDRO COc1cccc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000379664032 1081852114 /nfs/dbraw/zinc/85/21/14/1081852114.db2.gz NNBVNBWUAUQHGQ-NVXWUHKLSA-N 1 0 355.438 4.068 20 5 FIBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1n1ccnc1 ZINC000247262717 1081931295 /nfs/dbraw/zinc/93/12/95/1081931295.db2.gz XRZSJRUOAFZTHR-HNAYVOBHSA-N 1 0 366.421 4.134 20 5 FIBDRO CC[N@H+](CC[N+](=O)[O-])Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1 ZINC001167402551 1081953331 /nfs/dbraw/zinc/95/33/31/1081953331.db2.gz ZCALQBHOZBIFBK-UHFFFAOYSA-N 1 0 356.466 4.289 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000119122327 1081961634 /nfs/dbraw/zinc/96/16/34/1081961634.db2.gz AQJSAUYTIHENIY-CQSZACIVSA-N 1 0 357.410 4.050 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CCCc3ccc(SC)cc32)cc1[N+](=O)[O-] ZINC000580834322 1082178504 /nfs/dbraw/zinc/17/85/04/1082178504.db2.gz NTCWBAWSCZSFHM-QGZVFWFLSA-N 1 0 358.463 4.493 20 5 FIBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000610476341 1082300727 /nfs/dbraw/zinc/30/07/27/1082300727.db2.gz OKXFMBDBWPSEGS-PXNSSMCTSA-N 1 0 358.413 4.334 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(CN3CCS[C@@H](c4ccccc4)C3)nc2c1 ZINC000610582186 1082577537 /nfs/dbraw/zinc/57/75/37/1082577537.db2.gz RDQSUHSSADQJGI-QGZVFWFLSA-N 1 0 355.419 4.026 20 5 FIBDRO CCC[C@@H]([NH2+]C1CCN(C(=O)CC(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178082134 1082709073 /nfs/dbraw/zinc/70/90/73/1082709073.db2.gz QESRFTUBHNHXFN-LJQANCHMSA-N 1 0 361.486 4.063 20 5 FIBDRO CCC[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178090198 1082731669 /nfs/dbraw/zinc/73/16/69/1082731669.db2.gz YMYWRJFZJSNXNR-FQEVSTJZSA-N 1 0 350.422 4.412 20 5 FIBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001167487150 1082956322 /nfs/dbraw/zinc/95/63/22/1082956322.db2.gz GKDZKSQJBPEABD-PZJWPPBQSA-N 1 0 356.466 4.280 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CC(c4ccccc4F)C3)c2c1 ZINC000581907653 1083014013 /nfs/dbraw/zinc/01/40/13/1083014013.db2.gz ZWQJTKUWSSZJBJ-UHFFFAOYSA-N 1 0 353.397 4.294 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000430749127 1083147361 /nfs/dbraw/zinc/14/73/61/1083147361.db2.gz TZFQNBQZCGRGMN-JTQLQIEISA-N 1 0 356.319 4.262 20 5 FIBDRO Cc1c(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)cccc1[N+](=O)[O-] ZINC000477741222 1083201531 /nfs/dbraw/zinc/20/15/31/1083201531.db2.gz HVFYZKOKCYFZDR-OAHLLOKOSA-N 1 0 365.355 4.484 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCS[C@@H]4CCCC[C@@H]43)o2)c1 ZINC000610619587 1083265295 /nfs/dbraw/zinc/26/52/95/1083265295.db2.gz HHJYRIRJLXNVRP-FUHWJXTLSA-N 1 0 373.478 4.152 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCS[C@H]4CCCC[C@@H]43)o2)c1 ZINC000610619589 1083265350 /nfs/dbraw/zinc/26/53/50/1083265350.db2.gz HHJYRIRJLXNVRP-WMZOPIPTSA-N 1 0 373.478 4.152 20 5 FIBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610740584 1083396943 /nfs/dbraw/zinc/39/69/43/1083396943.db2.gz LKDHLZKYUWRHBY-AEFFLSMTSA-N 1 0 369.465 4.267 20 5 FIBDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610740587 1083397266 /nfs/dbraw/zinc/39/72/66/1083397266.db2.gz LKDHLZKYUWRHBY-WMZOPIPTSA-N 1 0 369.465 4.267 20 5 FIBDRO COc1ccc2[nH]cc(CC[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)c2c1 ZINC000612181129 1083522050 /nfs/dbraw/zinc/52/20/50/1083522050.db2.gz UBBKFNIUTPUVBK-UHFFFAOYSA-N 1 0 359.813 4.070 20 5 FIBDRO O=[N+]([O-])c1sccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000610808052 1083718390 /nfs/dbraw/zinc/71/83/90/1083718390.db2.gz YBNIISUKXWAFJG-IAGOWNOFSA-N 1 0 357.479 4.147 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)cc1[N+](=O)[O-] ZINC000610813200 1083736892 /nfs/dbraw/zinc/73/68/92/1083736892.db2.gz PFLGFCVNGFLKHB-XJKSGUPXSA-N 1 0 361.392 4.111 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC(c3ccc(Br)cc3)C2)cc1 ZINC000236681297 1083912326 /nfs/dbraw/zinc/91/23/26/1083912326.db2.gz JPTKFYNNUVOBIX-UHFFFAOYSA-N 1 0 361.239 4.393 20 5 FIBDRO COCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000167633271 1083930763 /nfs/dbraw/zinc/93/07/63/1083930763.db2.gz XBJFWZHKHCNTOG-MRXNPFEDSA-N 1 0 358.438 4.088 20 5 FIBDRO Cc1cc(C)cc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000538204702 1084022625 /nfs/dbraw/zinc/02/26/25/1084022625.db2.gz MELQWHMXZOFSRQ-ZDUSSCGKSA-N 1 0 361.829 4.154 20 5 FIBDRO O=[N+]([O-])c1ccc(Oc2ccc(C[NH2+]C3CSC3)cc2F)c(Cl)c1 ZINC000611564166 1084219272 /nfs/dbraw/zinc/21/92/72/1084219272.db2.gz VASLGLOVNYTILJ-UHFFFAOYSA-N 1 0 368.817 4.385 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178504201 1084262271 /nfs/dbraw/zinc/26/22/71/1084262271.db2.gz OUGWSJJZCQAKIN-OAQYLSRUSA-N 1 0 364.449 4.471 20 5 FIBDRO Cc1c([C@H](C)[NH2+]CCOc2ncccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000539052521 1084290422 /nfs/dbraw/zinc/29/04/22/1084290422.db2.gz IVSIAWXADXWIIB-LBPRGKRZSA-N 1 0 369.343 4.047 20 5 FIBDRO COc1ccc(CCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000579904496 1084301003 /nfs/dbraw/zinc/30/10/03/1084301003.db2.gz RKHUIHRSNHZRKT-OAHLLOKOSA-N 1 0 358.438 4.204 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000188619829 1084310829 /nfs/dbraw/zinc/31/08/29/1084310829.db2.gz FXGPPFZKIMSLGK-XEZPLFJOSA-N 1 0 360.376 4.037 20 5 FIBDRO COc1ccc(Cl)cc1[C@@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000539094672 1084314689 /nfs/dbraw/zinc/31/46/89/1084314689.db2.gz ZOKALOUHVAEVCS-LLVKDONJSA-N 1 0 350.802 4.116 20 5 FIBDRO Cc1c(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000071958739 1084413591 /nfs/dbraw/zinc/41/35/91/1084413591.db2.gz YCIDUGZPELOFFU-LJQANCHMSA-N 1 0 358.413 4.224 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000580501059 1084427648 /nfs/dbraw/zinc/42/76/48/1084427648.db2.gz LNZKFAVIGFXXQC-UHFFFAOYSA-N 1 0 374.238 4.171 20 5 FIBDRO Cc1nc2ccc(C[NH2+]CCc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2s1 ZINC000580672012 1084449502 /nfs/dbraw/zinc/44/95/02/1084449502.db2.gz FOEAFMVGEOMBDK-UHFFFAOYSA-N 1 0 366.446 4.327 20 5 FIBDRO CC(C)(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000539304547 1084501614 /nfs/dbraw/zinc/50/16/14/1084501614.db2.gz XFMNBEWSDIMWOH-OAHLLOKOSA-N 1 0 370.375 4.187 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513112008 1084572910 /nfs/dbraw/zinc/57/29/10/1084572910.db2.gz RAHCAJKGLSHDRC-KDOFPFPSSA-N 1 0 356.422 4.071 20 5 FIBDRO CC(C)(C)OCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000539497941 1084576221 /nfs/dbraw/zinc/57/62/21/1084576221.db2.gz MVRCJOPEWZSJCT-UHFFFAOYSA-N 1 0 352.818 4.413 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1cc2ccccc2o1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000173271631 1084609484 /nfs/dbraw/zinc/60/94/84/1084609484.db2.gz DMGIOENRUCKRAA-CHWSQXEVSA-N 1 0 353.378 4.019 20 5 FIBDRO CN(Cc1ccc(OCC(F)(F)F)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000511094726 1084802970 /nfs/dbraw/zinc/80/29/70/1084802970.db2.gz TZCLZZXWFUNLBJ-UHFFFAOYSA-N 1 0 372.318 4.307 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCOCC2)ccc1Oc1ccc(F)cc1 ZINC000540686623 1084878308 /nfs/dbraw/zinc/87/83/08/1084878308.db2.gz UMOKGIAQVRFOTE-INIZCTEOSA-N 1 0 360.385 4.185 20 5 FIBDRO CCc1ccc([C@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414255455 1084918751 /nfs/dbraw/zinc/91/87/51/1084918751.db2.gz JPPLDZIMMUXBJF-DHYLWCPWSA-N 1 0 358.438 4.243 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)C1CC1 ZINC000158329056 1085026398 /nfs/dbraw/zinc/02/63/98/1085026398.db2.gz OLQVBJVHKQSWGC-MJGOQNOKSA-N 1 0 352.434 4.072 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCC[C@H]3CCCCO3)cs2)c1 ZINC000186284690 1085063153 /nfs/dbraw/zinc/06/31/53/1085063153.db2.gz OUKPEOXSHUJEDK-QGZVFWFLSA-N 1 0 361.467 4.157 20 5 FIBDRO CC[C@H]([NH2+][C@H]1CCc2cc(OC)c(OC)cc21)c1cccc([N+](=O)[O-])c1 ZINC000479071340 1085076491 /nfs/dbraw/zinc/07/64/91/1085076491.db2.gz RCXXPPKMRQVDAN-ROUUACIJSA-N 1 0 356.422 4.340 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CC2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000479465082 1085167586 /nfs/dbraw/zinc/16/75/86/1085167586.db2.gz JPYOAKTTZMHBFL-QGZVFWFLSA-N 1 0 353.466 4.470 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000479490654 1085175887 /nfs/dbraw/zinc/17/58/87/1085175887.db2.gz QENBLZSLUNQFIB-DSLXNQLJSA-N 1 0 372.444 4.340 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC[C@@H]2CCOC2)c1 ZINC000124942792 1085219759 /nfs/dbraw/zinc/21/97/59/1085219759.db2.gz DBVZPGSFHCQPHX-DLBZAZTESA-N 1 0 370.449 4.169 20 5 FIBDRO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)cs1 ZINC000108203989 1085473269 /nfs/dbraw/zinc/47/32/69/1085473269.db2.gz WZNNDWKEKJJLTE-UHFFFAOYSA-N 1 0 367.474 4.127 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178645397 1085555827 /nfs/dbraw/zinc/55/58/27/1085555827.db2.gz QBVDWKOFMTVAMY-UONOGXRCSA-N 1 0 368.437 4.291 20 5 FIBDRO CCC[C@@H](CCO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236880073 1085610042 /nfs/dbraw/zinc/61/00/42/1085610042.db2.gz RNZFKOPFFLVDDW-ZDUSSCGKSA-N 1 0 366.845 4.397 20 5 FIBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000472252737 1085616670 /nfs/dbraw/zinc/61/66/70/1085616670.db2.gz WHYPTTKRFOHNKG-MRXNPFEDSA-N 1 0 368.359 4.037 20 5 FIBDRO COc1cc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000078338365 1085713198 /nfs/dbraw/zinc/71/31/98/1085713198.db2.gz XDUICTQNRPQRJF-FZKQIMNGSA-N 1 0 361.467 4.160 20 5 FIBDRO CSc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178681516 1085778886 /nfs/dbraw/zinc/77/88/86/1085778886.db2.gz VAJZWUHIPNHUJN-ZIAGYGMSSA-N 1 0 373.478 4.303 20 5 FIBDRO CC(C)c1ccc(C[NH2+]Cc2ccnc(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000078890175 1085937571 /nfs/dbraw/zinc/93/75/71/1085937571.db2.gz ZBEDUGHTXDFHHK-UHFFFAOYSA-N 1 0 354.454 4.003 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]CC3(C)COC3)cc2[N+](=O)[O-])cc1 ZINC000112711919 1085951101 /nfs/dbraw/zinc/95/11/01/1085951101.db2.gz LTMKRILSBZMAJX-UHFFFAOYSA-N 1 0 358.463 4.181 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000544041302 1086072393 /nfs/dbraw/zinc/07/23/93/1086072393.db2.gz GTMZJFROZDAEPV-CCKFTAQKSA-N 1 0 354.454 4.006 20 5 FIBDRO CC[C@@H]1c2ccsc2CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052070226 1086083764 /nfs/dbraw/zinc/08/37/64/1086083764.db2.gz UVHBFLKQSHTOFV-OAHLLOKOSA-N 1 0 370.434 4.216 20 5 FIBDRO CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000583273628 1086508794 /nfs/dbraw/zinc/50/87/94/1086508794.db2.gz WJPQSEXXDLYVKS-IBGZPJMESA-N 1 0 367.449 4.357 20 5 FIBDRO COc1cc(C[N@@H+]2CC[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000511979648 1086528205 /nfs/dbraw/zinc/52/82/05/1086528205.db2.gz XVYIKAYKOANWEX-OAHLLOKOSA-N 1 0 356.422 4.024 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432341339 1086633227 /nfs/dbraw/zinc/63/32/27/1086633227.db2.gz WIFNPWBIYZNRAY-IAGOWNOFSA-N 1 0 368.481 4.234 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)s1 ZINC000585767895 1086694990 /nfs/dbraw/zinc/69/49/90/1086694990.db2.gz ACPGUCJAFDSFBO-IBGZPJMESA-N 1 0 358.463 4.326 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000583515702 1086761437 /nfs/dbraw/zinc/76/14/37/1086761437.db2.gz PSQXFPLLBBYCEZ-DCGLDWPTSA-N 1 0 361.392 4.330 20 5 FIBDRO CCn1nc(C)c(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1C ZINC000066995414 1086804527 /nfs/dbraw/zinc/80/45/27/1086804527.db2.gz ICINSCTYNTZDPT-UHFFFAOYSA-N 1 0 370.478 4.446 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCc2ccccn2)s1 ZINC000178933327 1086849648 /nfs/dbraw/zinc/84/96/48/1086849648.db2.gz LOHYTXPFVLUIEH-UHFFFAOYSA-N 1 0 353.447 4.441 20 5 FIBDRO CCC[N@@H+](Cc1ccccc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728897376 1086869440 /nfs/dbraw/zinc/86/94/40/1086869440.db2.gz ZKACOWMWIKBTSG-UHFFFAOYSA-N 1 0 350.422 4.328 20 5 FIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cc2ccccc2s1 ZINC000583792604 1086964614 /nfs/dbraw/zinc/96/46/14/1086964614.db2.gz IMMSXJRECXUMTC-CYBMUJFWSA-N 1 0 369.446 4.316 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000584021501 1087115546 /nfs/dbraw/zinc/11/55/46/1087115546.db2.gz XKBGRSAEZRJWEU-LTBFUDJGSA-N 1 0 365.433 4.234 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)Cc1cccc2ccccc21 ZINC000053017011 1087315018 /nfs/dbraw/zinc/31/50/18/1087315018.db2.gz IXBYNFHDWUDPOD-UHFFFAOYSA-N 1 0 363.417 4.127 20 5 FIBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Cl)cc1 ZINC000024253319 1087445857 /nfs/dbraw/zinc/44/58/57/1087445857.db2.gz STYJYKQFRHMMSG-QGZVFWFLSA-N 1 0 362.813 4.356 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@H](Cc4ccncc4)C3)o2)c1 ZINC000611983902 1087672918 /nfs/dbraw/zinc/67/29/18/1087672918.db2.gz VZOXQMBAVSDCEB-QGZVFWFLSA-N 1 0 363.417 4.314 20 5 FIBDRO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180402083 1087886605 /nfs/dbraw/zinc/88/66/05/1087886605.db2.gz ISJKDSNHFFLCJX-HNNXBMFYSA-N 1 0 355.438 4.316 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000180398091 1087896451 /nfs/dbraw/zinc/89/64/51/1087896451.db2.gz WNAYCTIKNMJVPM-JKIFEVAISA-N 1 0 373.478 4.059 20 5 FIBDRO CC[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180529053 1087950033 /nfs/dbraw/zinc/95/00/33/1087950033.db2.gz SQKOHSXJCHAVSV-QGZVFWFLSA-N 1 0 350.365 4.480 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)Oc2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000504900254 1087955849 /nfs/dbraw/zinc/95/58/49/1087955849.db2.gz URUDABLYJBQIQL-CABCVRRESA-N 1 0 374.437 4.120 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2c1cccc2O ZINC000504899409 1087956396 /nfs/dbraw/zinc/95/63/96/1087956396.db2.gz GEKTXKIGZXEYSY-XJKSGUPXSA-N 1 0 358.463 4.448 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180562525 1087969514 /nfs/dbraw/zinc/96/95/14/1087969514.db2.gz XKDLLMIOKXKWBX-HZPDHXFCSA-N 1 0 372.318 4.051 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1csc(C)n1 ZINC000504899642 1087971552 /nfs/dbraw/zinc/97/15/52/1087971552.db2.gz JOIIULSRJMAFSD-ZDUSSCGKSA-N 1 0 351.497 4.063 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000504922112 1087974609 /nfs/dbraw/zinc/97/46/09/1087974609.db2.gz XQRBIYKROLYSDQ-CQSZACIVSA-N 1 0 353.422 4.368 20 5 FIBDRO CCc1nc(C[NH2+][C@@H](CC)CSc2ccccc2[N+](=O)[O-])cs1 ZINC000504905555 1087976096 /nfs/dbraw/zinc/97/60/96/1087976096.db2.gz KESCIUIMDWKAQG-LBPRGKRZSA-N 1 0 351.497 4.274 20 5 FIBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000181315449 1088302877 /nfs/dbraw/zinc/30/28/77/1088302877.db2.gz ICYJZUWTSABGFS-MNOVXSKESA-N 1 0 370.375 4.382 20 5 FIBDRO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000513831259 1088431918 /nfs/dbraw/zinc/43/19/18/1088431918.db2.gz NHCYRIZFEPNJGG-YESPVIGUSA-N 1 0 358.482 4.099 20 5 FIBDRO COC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000513824950 1088452282 /nfs/dbraw/zinc/45/22/82/1088452282.db2.gz SWVKXLSRMQWSKD-NXHRZFHOSA-N 1 0 358.438 4.185 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000311309350 1088539884 /nfs/dbraw/zinc/53/98/84/1088539884.db2.gz ZATNNPXLNOXVCP-HOCLYGCPSA-N 1 0 363.458 4.035 20 5 FIBDRO Cc1cccc2nc(C3CC[NH+](Cc4ccccc4[N+](=O)[O-])CC3)oc21 ZINC000189804786 1088639926 /nfs/dbraw/zinc/63/99/26/1088639926.db2.gz RIEPOXIEMKUGBI-UHFFFAOYSA-N 1 0 351.406 4.424 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000514092675 1088741072 /nfs/dbraw/zinc/74/10/72/1088741072.db2.gz GCSNKFHXDCFUCH-QQTQMKHKSA-N 1 0 368.481 4.366 20 5 FIBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000414500568 1088810110 /nfs/dbraw/zinc/81/01/10/1088810110.db2.gz LXMUNDDJJZFQIR-SGTLLEGYSA-N 1 0 361.467 4.012 20 5 FIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]CCCO)cc2[N+](=O)[O-])c1 ZINC000236740668 1088968202 /nfs/dbraw/zinc/96/82/02/1088968202.db2.gz GJBVZOJFOHPREZ-UHFFFAOYSA-N 1 0 358.438 4.291 20 5 FIBDRO C[C@H]1C[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000549170893 1089105289 /nfs/dbraw/zinc/10/52/89/1089105289.db2.gz QDHYXFVHQJMXPU-RDJZCZTQSA-N 1 0 362.433 4.193 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000434896712 1089113047 /nfs/dbraw/zinc/11/30/47/1089113047.db2.gz QAHCFWVEYSRZSZ-LPHOPBHVSA-N 1 0 367.449 4.110 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434898011 1089116590 /nfs/dbraw/zinc/11/65/90/1089116590.db2.gz SYFVQDUVCIFVQR-QFBILLFUSA-N 1 0 367.449 4.110 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000435032234 1089229375 /nfs/dbraw/zinc/22/93/75/1089229375.db2.gz FEBHPSHNVGTYAH-QRWLVFNGSA-N 1 0 369.465 4.413 20 5 FIBDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC000511522765 1089351257 /nfs/dbraw/zinc/35/12/57/1089351257.db2.gz NFKFKNOQGIBJAL-UHFFFAOYSA-N 1 0 368.412 4.189 20 5 FIBDRO Cc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C[NH+](C)C)c1 ZINC000505656507 1089514739 /nfs/dbraw/zinc/51/47/39/1089514739.db2.gz KZHIVFSREGOVES-AWEZNQCLSA-N 1 0 373.478 4.084 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c(Cl)c1 ZINC000425367215 1089599891 /nfs/dbraw/zinc/59/98/91/1089599891.db2.gz BQEARCRHZCHXGF-KRWDZBQOSA-N 1 0 350.846 4.029 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)CCC2 ZINC000515048512 1089738787 /nfs/dbraw/zinc/73/87/87/1089738787.db2.gz DGGFSQLOSIAICH-QGZVFWFLSA-N 1 0 365.355 4.218 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 ZINC000101593648 1089806610 /nfs/dbraw/zinc/80/66/10/1089806610.db2.gz LLNNPRXBIAVIBI-MRXNPFEDSA-N 1 0 363.417 4.420 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cn1 ZINC000435776000 1089930033 /nfs/dbraw/zinc/93/00/33/1089930033.db2.gz AYGJPFRPXDHTLW-UHFFFAOYSA-N 1 0 362.433 4.090 20 5 FIBDRO COc1ccccc1O[C@H](C)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468636706 1089961085 /nfs/dbraw/zinc/96/10/85/1089961085.db2.gz DCWYIFZBYXCQJH-RBFDBLARSA-N 1 0 356.422 4.064 20 5 FIBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000515385659 1089991985 /nfs/dbraw/zinc/99/19/85/1089991985.db2.gz CEXFKOLWNOKGCR-IBGZPJMESA-N 1 0 370.453 4.108 20 5 FIBDRO C[Si](C)(C)c1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC001167734188 1090264512 /nfs/dbraw/zinc/26/45/12/1090264512.db2.gz KHOKURVNSVNARI-UHFFFAOYSA-N 1 0 354.526 4.305 20 5 FIBDRO Cc1ccc(C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)s1 ZINC000104694617 1090302600 /nfs/dbraw/zinc/30/26/00/1090302600.db2.gz PDAACSJJFZZVMK-UHFFFAOYSA-N 1 0 357.435 4.294 20 5 FIBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc21 ZINC000378404301 1090350419 /nfs/dbraw/zinc/35/04/19/1090350419.db2.gz PFFPFFVVURQDDS-KBXCAEBGSA-N 1 0 353.422 4.052 20 5 FIBDRO CC[C@H](CCO)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236948992 1090708962 /nfs/dbraw/zinc/70/89/62/1090708962.db2.gz AWYMGQMNEDLLJJ-CQSZACIVSA-N 1 0 364.829 4.291 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)CCCC2 ZINC000417318312 1090798271 /nfs/dbraw/zinc/79/82/71/1090798271.db2.gz YLFMNVVNRDFEKL-NQIIRXRSSA-N 1 0 354.450 4.118 20 5 FIBDRO Cc1cn2c(n1)[C@@H](C[NH2+][C@@H]1CCCCc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000417316965 1090798813 /nfs/dbraw/zinc/79/88/13/1090798813.db2.gz VKRGLCKXDLROHC-VQIMIIECSA-N 1 0 354.454 4.034 20 5 FIBDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCCc3ccc([N+](=O)[O-])cc31)CCO2 ZINC000417347740 1090835771 /nfs/dbraw/zinc/83/57/71/1090835771.db2.gz WRGABGVEZVLFGI-PMACEKPBSA-N 1 0 368.433 4.484 20 5 FIBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500119713 1091052156 /nfs/dbraw/zinc/05/21/56/1091052156.db2.gz AHNOCBSTDMBEJI-DLBZAZTESA-N 1 0 367.449 4.110 20 5 FIBDRO COCCCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000418142954 1091081032 /nfs/dbraw/zinc/08/10/32/1091081032.db2.gz YVCFFRYNOOTKOB-UHFFFAOYSA-N 1 0 352.818 4.367 20 5 FIBDRO CSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000500267262 1091174249 /nfs/dbraw/zinc/17/42/49/1091174249.db2.gz DNIXDLULFDQHCQ-UONOGXRCSA-N 1 0 373.478 4.303 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CSCCS2)s1 ZINC000759835105 1091280127 /nfs/dbraw/zinc/28/01/27/1091280127.db2.gz RXEGQCXXQIVVDC-CYBMUJFWSA-N 1 0 366.533 4.262 20 5 FIBDRO Cc1ccccc1C[C@@H](C)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000584569563 1091285039 /nfs/dbraw/zinc/28/50/39/1091285039.db2.gz MYUKYPXHNGDJSU-MRXNPFEDSA-N 1 0 369.465 4.103 20 5 FIBDRO CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000311306825 1091358561 /nfs/dbraw/zinc/35/85/61/1091358561.db2.gz RMNRVVAFOGQWOE-LJQANCHMSA-N 1 0 365.474 4.014 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000512197139 1091891373 /nfs/dbraw/zinc/89/13/73/1091891373.db2.gz SKDWRPUEZAHDHB-FEEJDJEGSA-N 1 0 357.498 4.194 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512236393 1091942413 /nfs/dbraw/zinc/94/24/13/1091942413.db2.gz HFVXGTQQCIHJFQ-PGRDOPGGSA-N 1 0 365.477 4.254 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000520964234 1092388857 /nfs/dbraw/zinc/38/88/57/1092388857.db2.gz NKXUEBBEFXOXLW-UHFFFAOYSA-N 1 0 350.340 4.435 20 5 FIBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000500749501 1092496038 /nfs/dbraw/zinc/49/60/38/1092496038.db2.gz RTFTYKVUDWGKOH-HNNXBMFYSA-N 1 0 353.422 4.079 20 5 FIBDRO Cc1c(C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000728926922 1092581517 /nfs/dbraw/zinc/58/15/17/1092581517.db2.gz SGBCIUKFZAHEMV-UHFFFAOYSA-N 1 0 364.449 4.358 20 5 FIBDRO Cn1cc(C[NH2+]Cc2coc3ccccc23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000549830155 1092856734 /nfs/dbraw/zinc/85/67/34/1092856734.db2.gz QFNUIKUAMUHLCK-UHFFFAOYSA-N 1 0 362.389 4.031 20 5 FIBDRO Cc1ccccc1[C@H]([C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])N(C)C ZINC000443003428 1092910954 /nfs/dbraw/zinc/91/09/54/1092910954.db2.gz UQCLVPPXXUFINC-REPGQGFSSA-N 1 0 353.466 4.197 20 5 FIBDRO Cc1cccc(CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000512557754 1092916738 /nfs/dbraw/zinc/91/67/38/1092916738.db2.gz XLJQUDUERQOYQG-UHFFFAOYSA-N 1 0 351.406 4.281 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4ccccc4)C3)o2)cc1 ZINC000433049558 1093159552 /nfs/dbraw/zinc/15/95/52/1093159552.db2.gz VUTUMCFQSKEUOC-KRWDZBQOSA-N 1 0 364.405 4.024 20 5 FIBDRO COc1c2ccccc2oc1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000474069909 1093181511 /nfs/dbraw/zinc/18/15/11/1093181511.db2.gz YBXRNEBOQGBDNF-CQSZACIVSA-N 1 0 354.406 4.461 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc3c(n2)CCCC3)c2cc([N+](=O)[O-])ccc21 ZINC000433099926 1093243730 /nfs/dbraw/zinc/24/37/30/1093243730.db2.gz KTSZMAKLVTZHBS-HXUWFJFHSA-N 1 0 351.450 4.381 20 5 FIBDRO C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433154056 1093341082 /nfs/dbraw/zinc/34/10/82/1093341082.db2.gz YNBCOFACAGLJMZ-HXUWFJFHSA-N 1 0 353.466 4.169 20 5 FIBDRO Cc1nc2ccccc2n1CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433160704 1093347149 /nfs/dbraw/zinc/34/71/49/1093347149.db2.gz IBFGNPDQWJEROD-IBGZPJMESA-N 1 0 364.449 4.265 20 5 FIBDRO CCOc1cc(C[NH+]2CCC(c3ncc(C)s3)CC2)ccc1[N+](=O)[O-] ZINC000433167456 1093357333 /nfs/dbraw/zinc/35/73/33/1093357333.db2.gz NFZJKFLBQZXEMR-UHFFFAOYSA-N 1 0 361.467 4.138 20 5 FIBDRO CC(C)(C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC001168025314 1093431784 /nfs/dbraw/zinc/43/17/84/1093431784.db2.gz JQDPTYSMDUDLPJ-UHFFFAOYSA-N 1 0 373.428 4.363 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]C2(c3ccc4c(c3)OCO4)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433230600 1093455721 /nfs/dbraw/zinc/45/57/21/1093455721.db2.gz VOBUUIBMCYEPFY-QGZVFWFLSA-N 1 0 366.417 4.325 20 5 FIBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000512873717 1093492001 /nfs/dbraw/zinc/49/20/01/1093492001.db2.gz DVRUXBRMSIEVLH-BLLLJJGKSA-N 1 0 362.426 4.367 20 5 FIBDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000512901567 1093523219 /nfs/dbraw/zinc/52/32/19/1093523219.db2.gz RWPLQEBWBDPILU-UHFFFAOYSA-N 1 0 355.438 4.306 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000128925315 1093524634 /nfs/dbraw/zinc/52/46/34/1093524634.db2.gz JEJFODPBNLIZFO-LJQANCHMSA-N 1 0 350.422 4.412 20 5 FIBDRO CCOc1cc(NCC2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000397500697 1093538250 /nfs/dbraw/zinc/53/82/50/1093538250.db2.gz XHKVEETVWAYIRW-UHFFFAOYSA-N 1 0 369.465 4.318 20 5 FIBDRO CCC[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467458151 1093619686 /nfs/dbraw/zinc/61/96/86/1093619686.db2.gz XZNMHDQPJLIPFC-KRWDZBQOSA-N 1 0 360.483 4.151 20 5 FIBDRO CCC[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467458154 1093619782 /nfs/dbraw/zinc/61/97/82/1093619782.db2.gz XZNMHDQPJLIPFC-QGZVFWFLSA-N 1 0 360.483 4.151 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419326754 1093639495 /nfs/dbraw/zinc/63/94/95/1093639495.db2.gz CJFZRZZIOOVKBB-AWEZNQCLSA-N 1 0 353.422 4.070 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000419326755 1093639723 /nfs/dbraw/zinc/63/97/23/1093639723.db2.gz CJFZRZZIOOVKBB-CQSZACIVSA-N 1 0 353.422 4.070 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513084663 1093785820 /nfs/dbraw/zinc/78/58/20/1093785820.db2.gz WSWYGMJHDMPEIF-KBXCAEBGSA-N 1 0 356.422 4.071 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C[C@H]2OC)cc1[N+](=O)[O-] ZINC000513087634 1093798205 /nfs/dbraw/zinc/79/82/05/1093798205.db2.gz BMSQQWDRBQUIHO-DBXWQHBBSA-N 1 0 370.449 4.044 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000067251616 1093807991 /nfs/dbraw/zinc/80/79/91/1093807991.db2.gz BNIKKKPDHDWCJL-UHFFFAOYSA-N 1 0 360.841 4.086 20 5 FIBDRO COc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000151692429 1093846786 /nfs/dbraw/zinc/84/67/86/1093846786.db2.gz GXVGIASOPTVODA-LLVKDONJSA-N 1 0 352.337 4.056 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000513124097 1093861977 /nfs/dbraw/zinc/86/19/77/1093861977.db2.gz ZFSVLBQLXAPVHB-ZLHKHBAESA-N 1 0 366.417 4.216 20 5 FIBDRO Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000542827136 1093900948 /nfs/dbraw/zinc/90/09/48/1093900948.db2.gz MSJWNFVVJDUGHA-MRXNPFEDSA-N 1 0 350.422 4.248 20 5 FIBDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000513272323 1094042758 /nfs/dbraw/zinc/04/27/58/1094042758.db2.gz QNAGCWYQFRODRF-KXBFYZLASA-N 1 0 353.422 4.007 20 5 FIBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[N@@H+]1CCc2sccc2C1 ZINC000025500404 1094326647 /nfs/dbraw/zinc/32/66/47/1094326647.db2.gz BDQIUUXRZFAOJF-ZDUSSCGKSA-N 1 0 368.462 4.063 20 5 FIBDRO CC(C)CC1(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000513698190 1094361428 /nfs/dbraw/zinc/36/14/28/1094361428.db2.gz XLQMLRWDRWXVHG-SFHVURJKSA-N 1 0 356.470 4.224 20 5 FIBDRO CC[NH2+]Cc1ccccc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000237090708 1094865322 /nfs/dbraw/zinc/86/53/22/1094865322.db2.gz HESIZRVSHVLZAZ-UHFFFAOYSA-N 1 0 355.438 4.254 20 5 FIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccc(F)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000502487079 1095498592 /nfs/dbraw/zinc/49/85/92/1095498592.db2.gz SWBFBDJLIDHUJT-AUUYWEPGSA-N 1 0 373.428 4.356 20 5 FIBDRO Cc1c(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)cccc1[N+](=O)[O-] ZINC000502530986 1095545338 /nfs/dbraw/zinc/54/53/38/1095545338.db2.gz RAJZBGXHXGSQIB-IBGZPJMESA-N 1 0 360.841 4.048 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000544374271 1095609839 /nfs/dbraw/zinc/60/98/39/1095609839.db2.gz FUQRHKQAJMFVQU-ARFHVFGLSA-N 1 0 352.500 4.260 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)cc(C(F)(F)F)c1 ZINC000281577659 1095655954 /nfs/dbraw/zinc/65/59/54/1095655954.db2.gz KUUXEFCQRFHMKE-MRXNPFEDSA-N 1 0 369.318 4.389 20 5 FIBDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000508459849 1095658577 /nfs/dbraw/zinc/65/85/77/1095658577.db2.gz WRXOESRJUDAHCU-UHFFFAOYSA-N 1 0 367.449 4.030 20 5 FIBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000444239933 1095895415 /nfs/dbraw/zinc/89/54/15/1095895415.db2.gz CUTLIIQQFIWKEG-IIDMSEBBSA-N 1 0 355.438 4.445 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000421876784 1095971491 /nfs/dbraw/zinc/97/14/91/1095971491.db2.gz KBVUCCBFXZHWOC-DZGCQCFKSA-N 1 0 350.484 4.177 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503411793 1096390910 /nfs/dbraw/zinc/39/09/10/1096390910.db2.gz JMIXDNUGYNKXJC-ORAYPTAESA-N 1 0 373.840 4.020 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000503926694 1096590050 /nfs/dbraw/zinc/59/00/50/1096590050.db2.gz GTJXFOTULPHPSA-FUHWJXTLSA-N 1 0 369.465 4.267 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)cc1[N+](=O)[O-] ZINC000423429851 1096682980 /nfs/dbraw/zinc/68/29/80/1096682980.db2.gz SZJLLGBHHNLIGK-DYVFJYSZSA-N 1 0 355.438 4.438 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1cccs1)C(C)C ZINC000532925434 1098594665 /nfs/dbraw/zinc/59/46/65/1098594665.db2.gz FGROVKZTHLSLNE-UHFFFAOYSA-N 1 0 361.467 4.204 20 5 FIBDRO Cc1ccccc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000533242222 1098900079 /nfs/dbraw/zinc/90/00/79/1098900079.db2.gz DXXVKLSEQHPICC-FQEVSTJZSA-N 1 0 367.449 4.377 20 5 FIBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000533290855 1098939625 /nfs/dbraw/zinc/93/96/25/1098939625.db2.gz SYNAJCITDRVXRZ-NUJGCVRESA-N 1 0 367.449 4.047 20 5 FIBDRO COCCC1(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000436408069 1098983332 /nfs/dbraw/zinc/98/33/32/1098983332.db2.gz KOQFZKRQUVHCQN-UHFFFAOYSA-N 1 0 354.878 4.367 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425548226 1099009778 /nfs/dbraw/zinc/00/97/78/1099009778.db2.gz GLZJVEYIIBENOM-HXUWFJFHSA-N 1 0 374.481 4.163 20 5 FIBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000533435582 1099056585 /nfs/dbraw/zinc/05/65/85/1099056585.db2.gz LYBVWMIVCSHKDD-CRAIPNDOSA-N 1 0 367.449 4.110 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000505852637 1099142094 /nfs/dbraw/zinc/14/20/94/1099142094.db2.gz YIAYSMXDHAXTBO-QFQMRYFISA-N 1 0 365.433 4.020 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)C1CC1 ZINC000437073098 1099591985 /nfs/dbraw/zinc/59/19/85/1099591985.db2.gz NCPGVRXSANPDBV-MSOLQXFVSA-N 1 0 356.397 4.168 20 5 FIBDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000516926248 1099936559 /nfs/dbraw/zinc/93/65/59/1099936559.db2.gz HJNOEFSJHGLYNP-YLJYHZDGSA-N 1 0 365.477 4.443 20 5 FIBDRO CCOc1cc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1O ZINC000459524374 1100273243 /nfs/dbraw/zinc/27/32/43/1100273243.db2.gz UAZPJGIFTCUWOK-UHFFFAOYSA-N 1 0 370.327 4.008 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOc1ncccc1C(F)(F)F ZINC000536840195 1100352264 /nfs/dbraw/zinc/35/22/64/1100352264.db2.gz NWYABYRCUCYRLG-GFCCVEGCSA-N 1 0 369.343 4.047 20 5 FIBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c2ccccc21 ZINC000536843489 1100355770 /nfs/dbraw/zinc/35/57/70/1100355770.db2.gz FLDCZTPRDPQXGJ-IFXJQAMLSA-N 1 0 353.422 4.052 20 5 FIBDRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000536848254 1100360204 /nfs/dbraw/zinc/36/02/04/1100360204.db2.gz YCPXTOAWDBWSAS-OAHLLOKOSA-N 1 0 370.453 4.018 20 5 FIBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000536851379 1100365527 /nfs/dbraw/zinc/36/55/27/1100365527.db2.gz JZZVCDQROKLSHR-SXGZJXTBSA-N 1 0 360.429 4.421 20 5 FIBDRO COc1ccc(OC)c(CCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000536831024 1100368526 /nfs/dbraw/zinc/36/85/26/1100368526.db2.gz FGRTZSRJMHRDRM-HNNXBMFYSA-N 1 0 358.438 4.204 20 5 FIBDRO C[NH+](C)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCC1 ZINC000438341497 1100612744 /nfs/dbraw/zinc/61/27/44/1100612744.db2.gz JTVPLLMELMQOHA-UHFFFAOYSA-N 1 0 363.845 4.082 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H]3Cc3ccccc3)o2)c1 ZINC000437830493 1100799146 /nfs/dbraw/zinc/79/91/46/1100799146.db2.gz VZFOFWYZBHGNFH-SFHVURJKSA-N 1 0 363.417 4.109 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CCC([NH+]4CCCCC4)CC3)o2)c1 ZINC000506328550 1100870893 /nfs/dbraw/zinc/87/08/93/1100870893.db2.gz UXOOWJNIPXSHFH-UHFFFAOYSA-N 1 0 369.465 4.305 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC([NH+]3CCCCC3)CC2)o1 ZINC000506328710 1100877123 /nfs/dbraw/zinc/87/71/23/1100877123.db2.gz YQUSSOYDEZPWSA-UHFFFAOYSA-N 1 0 369.465 4.305 20 5 FIBDRO CC(C)c1nnc(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000426293937 1101214992 /nfs/dbraw/zinc/21/49/92/1101214992.db2.gz SCHZZDUQIHSPJU-ZBFHGGJFSA-N 1 0 374.510 4.113 20 5 FIBDRO CC(C)c1nnc(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000426293934 1101215307 /nfs/dbraw/zinc/21/53/07/1101215307.db2.gz SCHZZDUQIHSPJU-GOEBONIOSA-N 1 0 374.510 4.113 20 5 FIBDRO CCCc1nc(C)c(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000426299435 1101226437 /nfs/dbraw/zinc/22/64/37/1101226437.db2.gz VWGMEGUGMLUNMJ-WBVHZDCISA-N 1 0 357.454 4.345 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)C(C)(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000537052683 1101428967 /nfs/dbraw/zinc/42/89/67/1101428967.db2.gz OQQTZPOBKVSGRH-JKSUJKDBSA-N 1 0 369.465 4.186 20 5 FIBDRO CCC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)c(Cl)c1 ZINC000537053845 1101429268 /nfs/dbraw/zinc/42/92/68/1101429268.db2.gz GGVLYHINCGCFRE-AWEZNQCLSA-N 1 0 357.241 4.229 20 5 FIBDRO COCCSc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000537103680 1101451418 /nfs/dbraw/zinc/45/14/18/1101451418.db2.gz LOYKMOGXCPNLTI-OAHLLOKOSA-N 1 0 360.479 4.493 20 5 FIBDRO COCCSc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000537103679 1101451819 /nfs/dbraw/zinc/45/18/19/1101451819.db2.gz LOYKMOGXCPNLTI-HNNXBMFYSA-N 1 0 360.479 4.493 20 5 FIBDRO Cc1cc(C)cc([C@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000537106038 1101472142 /nfs/dbraw/zinc/47/21/42/1101472142.db2.gz MHKDEHFOWMOUGV-INIZCTEOSA-N 1 0 355.438 4.199 20 5 FIBDRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000537177870 1101519815 /nfs/dbraw/zinc/51/98/15/1101519815.db2.gz AFDIFWGWUIUPBQ-CYBMUJFWSA-N 1 0 361.829 4.154 20 5 FIBDRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000537177871 1101520563 /nfs/dbraw/zinc/52/05/63/1101520563.db2.gz AFDIFWGWUIUPBQ-ZDUSSCGKSA-N 1 0 361.829 4.154 20 5 FIBDRO CC[C@@H](O)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537314697 1101645397 /nfs/dbraw/zinc/64/53/97/1101645397.db2.gz PAHAXBXUEASPOS-CYBMUJFWSA-N 1 0 352.818 4.149 20 5 FIBDRO CCN1CCC([N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000506691701 1101803470 /nfs/dbraw/zinc/80/34/70/1101803470.db2.gz YODAELUQNUBDNX-UHFFFAOYSA-N 1 0 359.495 4.239 20 5 FIBDRO Cc1ccc(Sc2ccc(CNCCC[NH+](C)C)cc2[N+](=O)[O-])cc1 ZINC000518993321 1101817026 /nfs/dbraw/zinc/81/70/26/1101817026.db2.gz XDHMQLIORGWZBO-UHFFFAOYSA-N 1 0 359.495 4.096 20 5 FIBDRO Cc1ccc([C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000506793182 1102123984 /nfs/dbraw/zinc/12/39/84/1102123984.db2.gz BEYKKHXTJUQKKT-GOSISDBHSA-N 1 0 366.421 4.293 20 5 FIBDRO Cc1ccc([C@H](CNc2ccc3ncccc3c2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000506793183 1102125475 /nfs/dbraw/zinc/12/54/75/1102125475.db2.gz BEYKKHXTJUQKKT-SFHVURJKSA-N 1 0 366.421 4.293 20 5 FIBDRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237743730 1102136157 /nfs/dbraw/zinc/13/61/57/1102136157.db2.gz IIQPPXTYWBUVAV-WOJBJXKFSA-N 1 0 374.412 4.167 20 5 FIBDRO C[C@@H](COc1ccccc1C(F)(F)F)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000520944676 1102144321 /nfs/dbraw/zinc/14/43/21/1102144321.db2.gz FKBCKAFSWCHTLN-LBPRGKRZSA-N 1 0 354.328 4.171 20 5 FIBDRO O=C(CCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1 ZINC000237754351 1102144354 /nfs/dbraw/zinc/14/43/54/1102144354.db2.gz UKIFRPCDZKMQCW-ZZXKWVIFSA-N 1 0 373.840 4.270 20 5 FIBDRO COc1ccc(C)cc1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000532455060 1102353269 /nfs/dbraw/zinc/35/32/69/1102353269.db2.gz APBFIVUOJDUBBY-LJQANCHMSA-N 1 0 354.450 4.065 20 5 FIBDRO COc1cc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000171127962 1102406687 /nfs/dbraw/zinc/40/66/87/1102406687.db2.gz DYXWYWJDNPORCP-LLVKDONJSA-N 1 0 352.337 4.056 20 5 FIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000532516304 1102448833 /nfs/dbraw/zinc/44/88/33/1102448833.db2.gz QZGNBCXYGIUYSK-HUUCEWRRSA-N 1 0 366.421 4.441 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000026266687 1102548063 /nfs/dbraw/zinc/54/80/63/1102548063.db2.gz WBTRZFNWFCNCJE-HXUWFJFHSA-N 1 0 355.438 4.219 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000550228279 1102791752 /nfs/dbraw/zinc/79/17/52/1102791752.db2.gz PZTOOMCGSUIYNI-ZIAGYGMSSA-N 1 0 354.385 4.331 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000237820727 1102945609 /nfs/dbraw/zinc/94/56/09/1102945609.db2.gz KZGMLSICAMNMEJ-UHFFFAOYSA-N 1 0 361.348 4.010 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(OCC(F)F)c2)cccc1[N+](=O)[O-] ZINC000089543287 1102987736 /nfs/dbraw/zinc/98/77/36/1102987736.db2.gz VEBIIXFUVCYIBP-CYBMUJFWSA-N 1 0 350.365 4.398 20 5 FIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000163435305 1103110665 /nfs/dbraw/zinc/11/06/65/1103110665.db2.gz JONGPDPAYDIKMG-UHFFFAOYSA-N 1 0 371.412 4.199 20 5 FIBDRO COc1cc(C)c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OC ZINC000507118891 1103127175 /nfs/dbraw/zinc/12/71/75/1103127175.db2.gz FMRNGCLWSVWVHZ-UHFFFAOYSA-N 1 0 358.438 4.331 20 5 FIBDRO CCOCc1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1OC ZINC000507175586 1103176806 /nfs/dbraw/zinc/17/68/06/1103176806.db2.gz WLDREKJITINMLL-UHFFFAOYSA-N 1 0 370.449 4.305 20 5 FIBDRO Cn1nccc1-c1ccccc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000507242788 1103237634 /nfs/dbraw/zinc/23/76/34/1103237634.db2.gz HNTZPTIVJFTRMW-UHFFFAOYSA-N 1 0 362.433 4.160 20 5 FIBDRO Cc1ccc(Sc2ccc(C[N@H+]3CC[C@@H]([C@@H](C)O)C3)cc2[N+](=O)[O-])cc1 ZINC000507700953 1103629389 /nfs/dbraw/zinc/62/93/89/1103629389.db2.gz YBUKAKODIWJIAK-NVXWUHKLSA-N 1 0 372.490 4.257 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC000538227221 1104047926 /nfs/dbraw/zinc/04/79/26/1104047926.db2.gz IOFVKMNCBMKDTN-IBGZPJMESA-N 1 0 373.428 4.358 20 5 FIBDRO Cc1cc([C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)ccc1F ZINC000538319610 1104134631 /nfs/dbraw/zinc/13/46/31/1104134631.db2.gz CNBRVUJUTUBKMU-FQEVSTJZSA-N 1 0 371.412 4.030 20 5 FIBDRO CN(C)C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000579251586 1104331013 /nfs/dbraw/zinc/33/10/13/1104331013.db2.gz BRFHVIJNDITIEL-MSOLQXFVSA-N 1 0 359.857 4.128 20 5 FIBDRO CCC[N@H+](CCc1cccs1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000184512394 1104502454 /nfs/dbraw/zinc/50/24/54/1104502454.db2.gz YXOLUEVWBWHCJX-UHFFFAOYSA-N 1 0 372.450 4.161 20 5 FIBDRO CN(C)[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccco1 ZINC000237172721 1104753612 /nfs/dbraw/zinc/75/36/12/1104753612.db2.gz ASASQZABHPQQKX-KRWDZBQOSA-N 1 0 371.462 4.309 20 5 FIBDRO CCN(C)CC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000507944282 1105279830 /nfs/dbraw/zinc/27/98/30/1105279830.db2.gz DSAHBNYSQAXDIR-UHFFFAOYSA-N 1 0 363.845 4.082 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000427896998 1105307281 /nfs/dbraw/zinc/30/72/81/1105307281.db2.gz WRFPNZPKAXPXGD-UONOGXRCSA-N 1 0 368.462 4.185 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]CC3CCC(OC)CC3)o2)c([N+](=O)[O-])c1 ZINC000530693876 1107263430 /nfs/dbraw/zinc/26/34/30/1107263430.db2.gz IUAVVVSUEGDPLF-UHFFFAOYSA-N 1 0 374.437 4.158 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](CO)c3ccccc3)s2)cc1 ZINC000531153576 1107583134 /nfs/dbraw/zinc/58/31/34/1107583134.db2.gz UKLFYKYNPXMEMF-QGZVFWFLSA-N 1 0 368.458 4.189 20 5 FIBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000475514620 1107637797 /nfs/dbraw/zinc/63/77/97/1107637797.db2.gz XVHUTYWOIUXEEE-FUEXJSSKSA-N 1 0 362.227 4.116 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC3CC([NH+]4CCCCC4)C3)s2)cc1 ZINC000475558213 1107731245 /nfs/dbraw/zinc/73/12/45/1107731245.db2.gz DRSOLZDMBFKOSS-UHFFFAOYSA-N 1 0 371.506 4.430 20 5 FIBDRO Cc1n[nH]cc1CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000520206728 1108020121 /nfs/dbraw/zinc/02/01/21/1108020121.db2.gz FYYZHLIJFZCGPU-UHFFFAOYSA-N 1 0 356.451 4.077 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000520213302 1108052667 /nfs/dbraw/zinc/05/26/67/1108052667.db2.gz UGMSWINQCLBLLV-DNVCBOLYSA-N 1 0 370.449 4.461 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000531692570 1108059097 /nfs/dbraw/zinc/05/90/97/1108059097.db2.gz GUOGQNOTGANBRD-QFBILLFUSA-N 1 0 357.454 4.374 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000531702722 1108084258 /nfs/dbraw/zinc/08/42/58/1108084258.db2.gz OUUSFNKCRVEKOM-YQVWRLOYSA-N 1 0 353.466 4.389 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1CCc2ccccc2C1 ZINC000531945370 1108422083 /nfs/dbraw/zinc/42/20/83/1108422083.db2.gz LPZFVNKRRYZWMR-KRWDZBQOSA-N 1 0 353.466 4.002 20 5 FIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cc(Br)ccc1F ZINC000523701990 1108454401 /nfs/dbraw/zinc/45/44/01/1108454401.db2.gz HHEKOMIEMQRQEQ-UHFFFAOYSA-N 1 0 367.218 4.171 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CCC[C@@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453368008 1108484819 /nfs/dbraw/zinc/48/48/19/1108484819.db2.gz MQSGRDVGAHBPCN-QRWLVFNGSA-N 1 0 358.438 4.246 20 5 FIBDRO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453371978 1108491440 /nfs/dbraw/zinc/49/14/40/1108491440.db2.gz YRALSBQPNPBPHV-KBPBESRZSA-N 1 0 370.478 4.339 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000531981163 1108498664 /nfs/dbraw/zinc/49/86/64/1108498664.db2.gz GSUJFJWHKWLGIY-OAHLLOKOSA-N 1 0 368.412 4.121 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000532140623 1108686355 /nfs/dbraw/zinc/68/63/55/1108686355.db2.gz WXRPMUITSVJSSL-MRXNPFEDSA-N 1 0 369.465 4.267 20 5 FIBDRO CCC[C@H]([NH2+]CCn1c(C)nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000532200115 1108704933 /nfs/dbraw/zinc/70/49/33/1108704933.db2.gz MTIONQYNHQXCDA-SFHVURJKSA-N 1 0 352.438 4.384 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](c1c(F)cccc1F)N(C)C ZINC000532222259 1108720688 /nfs/dbraw/zinc/72/06/88/1108720688.db2.gz HCQBABULQQCXAR-FZKQIMNGSA-N 1 0 363.408 4.135 20 5 FIBDRO C[C@H]1SCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000524035664 1108765147 /nfs/dbraw/zinc/76/51/47/1108765147.db2.gz AEPBTNDZKJWZHG-DNVCBOLYSA-N 1 0 358.463 4.152 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1cc2cccc(F)c2o1 ZINC000475693481 1108777259 /nfs/dbraw/zinc/77/72/59/1108777259.db2.gz ISLATYMGYFTIBC-GFCCVEGCSA-N 1 0 371.368 4.078 20 5 FIBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000532369508 1108813169 /nfs/dbraw/zinc/81/31/69/1108813169.db2.gz OELGIGNJFFZNFA-QGZVFWFLSA-N 1 0 362.861 4.393 20 5 FIBDRO C[NH+](C)[C@H](CNc1ccc(Br)cc1[N+](=O)[O-])c1ccsc1 ZINC000524161380 1108874423 /nfs/dbraw/zinc/87/44/23/1108874423.db2.gz WGENOKLSISELHG-CQSZACIVSA-N 1 0 370.272 4.134 20 5 FIBDRO CC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@H](O)C(F)(F)F ZINC000428416078 1108966903 /nfs/dbraw/zinc/96/69/03/1108966903.db2.gz CRZMJEFOFKHSHC-HNNXBMFYSA-N 1 0 374.384 4.068 20 5 FIBDRO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1c1ccccc1 ZINC000441076136 1109311351 /nfs/dbraw/zinc/31/13/51/1109311351.db2.gz XLIJQQARLAGFHO-INIZCTEOSA-N 1 0 351.406 4.362 20 5 FIBDRO C[C@]1(c2ccccc2)CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446847995 1109357492 /nfs/dbraw/zinc/35/74/92/1109357492.db2.gz CUCNQTWLIWHPIM-YWZLYKJASA-N 1 0 350.422 4.071 20 5 FIBDRO COc1ccc(OCC[N@H+](C)[C@@H](C)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000441216438 1109469924 /nfs/dbraw/zinc/46/99/24/1109469924.db2.gz JAKCHHYXNYEMLA-ZDUSSCGKSA-N 1 0 364.829 4.329 20 5 FIBDRO CC[C@H](O)CCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000525697298 1109481700 /nfs/dbraw/zinc/48/17/00/1109481700.db2.gz CJGOPGRDTLKWFO-INIZCTEOSA-N 1 0 362.401 4.167 20 5 FIBDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]2CCCO[C@@H]21 ZINC000525708754 1109488930 /nfs/dbraw/zinc/48/89/30/1109488930.db2.gz WUNOAEOBYKPKCQ-UHOSZYNNSA-N 1 0 356.422 4.148 20 5 FIBDRO COc1cc(C[NH+]2[C@@H](C)C[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000527238476 1109719727 /nfs/dbraw/zinc/71/97/27/1109719727.db2.gz DDXZTCJIRDDZNU-GJZGRUSLSA-N 1 0 356.422 4.165 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000449061550 1109964959 /nfs/dbraw/zinc/96/49/59/1109964959.db2.gz GNQNYFZIWQYGKK-QAPCUYQASA-N 1 0 359.495 4.014 20 5 FIBDRO Cc1ccccc1C1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000449096389 1109975368 /nfs/dbraw/zinc/97/53/68/1109975368.db2.gz HEIGBVKDDXCNGK-SFHVURJKSA-N 1 0 368.477 4.172 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000449100081 1109976060 /nfs/dbraw/zinc/97/60/60/1109976060.db2.gz VVLPQLIWSLJVIB-HOTGVXAUSA-N 1 0 367.449 4.003 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN([C@@H](C)c2ccccc2)CC1 ZINC000449149185 1109985919 /nfs/dbraw/zinc/98/59/19/1109985919.db2.gz MLVOXXOWEWFSSN-MSOLQXFVSA-N 1 0 367.493 4.341 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000449178085 1109989447 /nfs/dbraw/zinc/98/94/47/1109989447.db2.gz TXFDDKRRHBCSPS-HZPDHXFCSA-N 1 0 350.422 4.062 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000449207491 1109995611 /nfs/dbraw/zinc/99/56/11/1109995611.db2.gz OGBFNTPONAEEFR-IAGOWNOFSA-N 1 0 364.449 4.121 20 5 FIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1ccccc1Cl ZINC000237497328 1109996683 /nfs/dbraw/zinc/99/66/83/1109996683.db2.gz FYGZNXAXERHTDP-CHWSQXEVSA-N 1 0 361.829 4.316 20 5 FIBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CN1C1CC1 ZINC000237494198 1109996940 /nfs/dbraw/zinc/99/69/40/1109996940.db2.gz FYMMVWBMULHETE-HIFRSBDPSA-N 1 0 357.479 4.038 20 5 FIBDRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449223402 1110001528 /nfs/dbraw/zinc/00/15/28/1110001528.db2.gz JNQNISKZXWYECM-HUUCEWRRSA-N 1 0 352.438 4.246 20 5 FIBDRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449223400 1110001700 /nfs/dbraw/zinc/00/17/00/1110001700.db2.gz JNQNISKZXWYECM-CABCVRRESA-N 1 0 352.438 4.246 20 5 FIBDRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449223403 1110001839 /nfs/dbraw/zinc/00/18/39/1110001839.db2.gz JNQNISKZXWYECM-LSDHHAIUSA-N 1 0 352.438 4.246 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000449240577 1110009853 /nfs/dbraw/zinc/00/98/53/1110009853.db2.gz ZOLSHAIHSNYSMZ-WNYOCNMUSA-N 1 0 358.413 4.175 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000449243087 1110010739 /nfs/dbraw/zinc/01/07/39/1110010739.db2.gz ICVSOVJEKNHGRG-AWEZNQCLSA-N 1 0 350.422 4.000 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000449304265 1110022521 /nfs/dbraw/zinc/02/25/21/1110022521.db2.gz ZDHIQUFMTOMBML-NWDGAFQWSA-N 1 0 364.243 4.034 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000449340515 1110033175 /nfs/dbraw/zinc/03/31/75/1110033175.db2.gz WQEXDRADFQYRMQ-IERDGZPVSA-N 1 0 366.461 4.210 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000449401521 1110058700 /nfs/dbraw/zinc/05/87/00/1110058700.db2.gz NAXLTQJSPVVKBX-LBPRGKRZSA-N 1 0 353.344 4.120 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)cc1 ZINC000449435661 1110077956 /nfs/dbraw/zinc/07/79/56/1110077956.db2.gz DUERNSXTJSNDGY-UHFFFAOYSA-N 1 0 371.384 4.450 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000449544067 1110101066 /nfs/dbraw/zinc/10/10/66/1110101066.db2.gz VGPGPZFRBBWREN-FXAWDEMLSA-N 1 0 355.438 4.123 20 5 FIBDRO C[NH+](C)[C@@H]1CCOc2c(Nc3nccc4c3cccc4[N+](=O)[O-])cccc21 ZINC000450491977 1110305823 /nfs/dbraw/zinc/30/58/23/1110305823.db2.gz QXVDBDWVTYQOML-QGZVFWFLSA-N 1 0 364.405 4.272 20 5 FIBDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000538355036 1111107871 /nfs/dbraw/zinc/10/78/71/1111107871.db2.gz DSSKZJDJXODFCQ-UGSOOPFHSA-N 1 0 366.421 4.002 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3ccncc3)o2)c(Cl)c1 ZINC000538425452 1111142202 /nfs/dbraw/zinc/14/22/02/1111142202.db2.gz CTFVUVJJUYOUBN-UHFFFAOYSA-N 1 0 357.797 4.236 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000539073760 1111419286 /nfs/dbraw/zinc/41/92/86/1111419286.db2.gz AGQMMJMFGRCUMA-HNNXBMFYSA-N 1 0 362.813 4.260 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)Sc3sccc32)cc1[N+](=O)[O-] ZINC000539074126 1111420851 /nfs/dbraw/zinc/42/08/51/1111420851.db2.gz IFFYJZDDUSACDB-GWCFXTLKSA-N 1 0 350.465 4.380 20 5 FIBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1cccc(Cl)c1 ZINC000539229377 1111474692 /nfs/dbraw/zinc/47/46/92/1111474692.db2.gz HCFSPOLPBNKUHO-MRXNPFEDSA-N 1 0 361.829 4.236 20 5 FIBDRO Cc1cc(N2Cc3ccc(O)cc3C3(CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000462100476 1111492677 /nfs/dbraw/zinc/49/26/77/1111492677.db2.gz VPJSYRSZJLGBAR-UHFFFAOYSA-N 1 0 361.401 4.209 20 5 FIBDRO C[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000552048380 1111557507 /nfs/dbraw/zinc/55/75/07/1111557507.db2.gz QUHUAPBTEMADKD-DNVCBOLYSA-N 1 0 356.470 4.224 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(Cc1ccccc1)[C@H](C)O ZINC000477844179 1111571885 /nfs/dbraw/zinc/57/18/85/1111571885.db2.gz BCWDSUGTAHYZSE-FGSXEWAUSA-N 1 0 370.493 4.135 20 5 FIBDRO C[C@@H](O)[C@@](C)(C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000477844183 1111571989 /nfs/dbraw/zinc/57/19/89/1111571989.db2.gz BCWDSUGTAHYZSE-JBYIUTFZSA-N 1 0 370.493 4.135 20 5 FIBDRO C[C@@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000477945744 1111617931 /nfs/dbraw/zinc/61/79/31/1111617931.db2.gz YWHSSMAVSQSTHM-GFCCVEGCSA-N 1 0 369.343 4.128 20 5 FIBDRO CCC[C@H]([NH2+][C@H]1CCc2cnn(C(C)C)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000478161046 1111699173 /nfs/dbraw/zinc/69/91/73/1111699173.db2.gz AUDRCGVBQCKEGU-HKUYNNGSSA-N 1 0 356.470 4.361 20 5 FIBDRO Cc1c(C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)cccc1[N+](=O)[O-] ZINC000478489137 1111792159 /nfs/dbraw/zinc/79/21/59/1111792159.db2.gz MAYBMBXMBIMRCN-LLVKDONJSA-N 1 0 354.328 4.495 20 5 FIBDRO Cc1ccc([C@H](C)NC2CC[NH+](CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000552925784 1111851143 /nfs/dbraw/zinc/85/11/43/1111851143.db2.gz JMHSNRJWHVHBRU-SFHVURJKSA-N 1 0 367.493 4.261 20 5 FIBDRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)ccc1[N+](=O)[O-] ZINC000553960913 1112137979 /nfs/dbraw/zinc/13/79/79/1112137979.db2.gz OVVZAHRSYXFLQD-AWEZNQCLSA-N 1 0 374.437 4.170 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000479872007 1112171366 /nfs/dbraw/zinc/17/13/66/1112171366.db2.gz HTEJDOIGECQPJA-CRAIPNDOSA-N 1 0 359.495 4.452 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(CCOC)CCCCC1 ZINC000479883724 1112184938 /nfs/dbraw/zinc/18/49/38/1112184938.db2.gz HWKNZRJUBAEFLK-UHFFFAOYSA-N 1 0 350.459 4.070 20 5 FIBDRO CC[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000480278555 1112370466 /nfs/dbraw/zinc/37/04/66/1112370466.db2.gz PAHYEOBISPWQIK-RTWAWAEBSA-N 1 0 353.466 4.473 20 5 FIBDRO COc1cc(C[NH2+]CC=C(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000480292061 1112374007 /nfs/dbraw/zinc/37/40/07/1112374007.db2.gz ZHLQRKQWHVHUIS-UHFFFAOYSA-N 1 0 356.422 4.238 20 5 FIBDRO Cc1c(C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)cccc1[N+](=O)[O-] ZINC000480479684 1112440613 /nfs/dbraw/zinc/44/06/13/1112440613.db2.gz IGHFTPRHWVSEBV-UHFFFAOYSA-N 1 0 356.422 4.148 20 5 FIBDRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000480497428 1112448077 /nfs/dbraw/zinc/44/80/77/1112448077.db2.gz LLHSGGGRCQOANV-UHFFFAOYSA-N 1 0 368.412 4.135 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000481257028 1112828653 /nfs/dbraw/zinc/82/86/53/1112828653.db2.gz MXAWYDRKTLWXCZ-GOSISDBHSA-N 1 0 367.449 4.363 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@@H]2c2ccncc2)c1 ZINC000555417908 1112832722 /nfs/dbraw/zinc/83/27/22/1112832722.db2.gz UZHFYCIRUYDEIE-MRXNPFEDSA-N 1 0 351.328 4.346 20 5 FIBDRO CC[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000481320315 1112892106 /nfs/dbraw/zinc/89/21/06/1112892106.db2.gz ZNUITQZFAZWVGJ-OAQYLSRUSA-N 1 0 371.456 4.439 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000555626560 1112948335 /nfs/dbraw/zinc/94/83/35/1112948335.db2.gz MUKXBCSGSOLMHG-UONOGXRCSA-N 1 0 354.385 4.331 20 5 FIBDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000482697822 1113334561 /nfs/dbraw/zinc/33/45/61/1113334561.db2.gz WJYGMSIRVVESSF-HUUCEWRRSA-N 1 0 350.422 4.158 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c2c(c1)COCO2 ZINC000111306885 1113348870 /nfs/dbraw/zinc/34/88/70/1113348870.db2.gz KNSHXKUFNQWIHP-AWEZNQCLSA-N 1 0 374.824 4.104 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC(C)CC3)nc2)cc1[N+](=O)[O-] ZINC000160483202 1113391217 /nfs/dbraw/zinc/39/12/17/1113391217.db2.gz NFHCIKMVDQRHRF-KRWDZBQOSA-N 1 0 368.481 4.385 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H](CCCO)c1ccccc1)C1CC1 ZINC000160690622 1113435675 /nfs/dbraw/zinc/43/56/75/1113435675.db2.gz AWTFBCNTVPKGGL-WOJBJXKFSA-N 1 0 354.450 4.019 20 5 FIBDRO CCOc1cc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1OC ZINC000483134646 1113450513 /nfs/dbraw/zinc/45/05/13/1113450513.db2.gz BQANFJGOHQMWKN-SFHVURJKSA-N 1 0 370.449 4.113 20 5 FIBDRO CC[C@@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000483162500 1113458934 /nfs/dbraw/zinc/45/89/34/1113458934.db2.gz XTLARZQIBUGDSB-QZTJIDSGSA-N 1 0 363.408 4.217 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000486863021 1113662787 /nfs/dbraw/zinc/66/27/87/1113662787.db2.gz BRQFUEXOBWBGOF-WBVHZDCISA-N 1 0 356.422 4.125 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000486863020 1113663009 /nfs/dbraw/zinc/66/30/09/1113663009.db2.gz BRQFUEXOBWBGOF-RDJZCZTQSA-N 1 0 356.422 4.125 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000150324577 1113900692 /nfs/dbraw/zinc/90/06/92/1113900692.db2.gz HBEWCYLRMDZNEI-CQSZACIVSA-N 1 0 359.401 4.064 20 5 FIBDRO COc1cc(CN(C)[C@H](C)c2nc3ccccc3s2)ccc1[N+](=O)[O-] ZINC000489982163 1114201903 /nfs/dbraw/zinc/20/19/03/1114201903.db2.gz XNRPVOMJABLQMF-GFCCVEGCSA-N 1 0 357.435 4.406 20 5 FIBDRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cc1 ZINC000490077283 1114214216 /nfs/dbraw/zinc/21/42/16/1114214216.db2.gz DIOOLVVACPLTBJ-ZBFHGGJFSA-N 1 0 351.406 4.422 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCn2cnc3ccccc32)c2ccccc2)c1 ZINC000490184512 1114225656 /nfs/dbraw/zinc/22/56/56/1114225656.db2.gz LDXOLPGUZRXTKI-QFIPXVFZSA-N 1 0 372.428 4.324 20 5 FIBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](Oc3ccccc3Cl)C2)c(F)c1 ZINC000490406412 1114288700 /nfs/dbraw/zinc/28/87/00/1114288700.db2.gz ZMKNYCNJAVLBKY-CQSZACIVSA-N 1 0 350.777 4.041 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000491095628 1114373333 /nfs/dbraw/zinc/37/33/33/1114373333.db2.gz ZUODJRRRWWCVLY-GXTWGEPZSA-N 1 0 370.396 4.012 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000164377513 1114476173 /nfs/dbraw/zinc/47/61/73/1114476173.db2.gz MDWQJJXDOXKJGX-IBGZPJMESA-N 1 0 353.422 4.069 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)CCC2 ZINC000192980480 1114501576 /nfs/dbraw/zinc/50/15/76/1114501576.db2.gz CFFIIYMPROOIMN-GOSISDBHSA-N 1 0 362.376 4.406 20 5 FIBDRO Cn1ncc2ccc(C[NH2+][C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)cc21 ZINC000589727756 1114834751 /nfs/dbraw/zinc/83/47/51/1114834751.db2.gz CETPIVGLARORRC-QFIPXVFZSA-N 1 0 372.428 4.361 20 5 FIBDRO C[C@@H](F)CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000590192625 1114905566 /nfs/dbraw/zinc/90/55/66/1114905566.db2.gz FYJUUHSMCUPKJW-OAHLLOKOSA-N 1 0 368.412 4.285 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590599965 1114952253 /nfs/dbraw/zinc/95/22/53/1114952253.db2.gz HSHJYEKTHYESHK-INIZCTEOSA-N 1 0 355.438 4.157 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C1CCC(OC(F)F)CC1 ZINC000590662243 1114960546 /nfs/dbraw/zinc/96/05/46/1114960546.db2.gz FPDWTKFOPGVRGC-LHUBUQBQSA-N 1 0 368.424 4.446 20 5 FIBDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000573046423 1115003222 /nfs/dbraw/zinc/00/32/22/1115003222.db2.gz ZLBDKVFQWRUARH-SJORKVTESA-N 1 0 367.449 4.110 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000045841492 1115094847 /nfs/dbraw/zinc/09/48/47/1115094847.db2.gz NCWLGSIRDZFGJC-UHFFFAOYSA-N 1 0 354.406 4.268 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@H]4OCCC[C@@H]34)o2)c(Cl)c1 ZINC000249844051 1115167596 /nfs/dbraw/zinc/16/75/96/1115167596.db2.gz OBUOYEMOCMXLGE-YXJHDRRASA-N 1 0 362.813 4.165 20 5 FIBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CCC(CO)CC1 ZINC000573727459 1115178752 /nfs/dbraw/zinc/17/87/52/1115178752.db2.gz SKFYIPSQCPUZOY-UHFFFAOYSA-N 1 0 360.479 4.306 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cccc(F)c1)[C@H]1CC[C@H](O)CC1 ZINC000592130351 1115204697 /nfs/dbraw/zinc/20/46/97/1115204697.db2.gz DSUXWOFIWFGZQA-WGSAOQKQSA-N 1 0 358.413 4.040 20 5 FIBDRO COCCCOc1cc(C)ccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000167240622 1115221762 /nfs/dbraw/zinc/22/17/62/1115221762.db2.gz QHWVFTGCCJMVPX-QGZVFWFLSA-N 1 0 372.465 4.478 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000574052794 1115287934 /nfs/dbraw/zinc/28/79/34/1115287934.db2.gz BWQHSKWDGWQSBT-YSSFQJQWSA-N 1 0 352.434 4.340 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000593076377 1115299450 /nfs/dbraw/zinc/29/94/50/1115299450.db2.gz AQUIYARPYGOWDD-GLJUWKHASA-N 1 0 370.453 4.117 20 5 FIBDRO CC[C@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592427612 1115307058 /nfs/dbraw/zinc/30/70/58/1115307058.db2.gz HVEJJVFYHOOXHX-MAUKXSAKSA-N 1 0 373.428 4.085 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000574471243 1115374268 /nfs/dbraw/zinc/37/42/68/1115374268.db2.gz ATAPSNTWFNUZSS-HSSRVXSRSA-N 1 0 352.434 4.102 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CCO[C@H](C3CC3)C2)c2ccccc2)c1 ZINC000157904255 1115381018 /nfs/dbraw/zinc/38/10/18/1115381018.db2.gz SPSVRYBMUQNHOP-SESVDKBCSA-N 1 0 352.434 4.231 20 5 FIBDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594496644 1115449885 /nfs/dbraw/zinc/44/98/85/1115449885.db2.gz QEIZNYIRCLSUSF-JLTOFOAXSA-N 1 0 362.433 4.427 20 5 FIBDRO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC000594500021 1115450743 /nfs/dbraw/zinc/45/07/43/1115450743.db2.gz GKZLLIXWNAFDFB-SUMWQHHRSA-N 1 0 364.405 4.025 20 5 FIBDRO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC000594500005 1115450910 /nfs/dbraw/zinc/45/09/10/1115450910.db2.gz GKZLLIXWNAFDFB-CXAGYDPISA-N 1 0 364.405 4.025 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H](C3CC3)[C@@H]3CCCCO3)cs2)c1 ZINC000594509472 1115456617 /nfs/dbraw/zinc/45/66/17/1115456617.db2.gz ISVARTBNRFDDNR-ZWKOTPCHSA-N 1 0 373.478 4.156 20 5 FIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000594518921 1115458359 /nfs/dbraw/zinc/45/83/59/1115458359.db2.gz RAHQTKXAIYQLGM-OLZOCXBDSA-N 1 0 369.412 4.116 20 5 FIBDRO COC[C@H](C)Oc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000594943932 1115501249 /nfs/dbraw/zinc/50/12/49/1115501249.db2.gz MIRHYQIPLDKVBW-HNNXBMFYSA-N 1 0 358.438 4.033 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000595023924 1115504895 /nfs/dbraw/zinc/50/48/95/1115504895.db2.gz ZZVAAIVGQPHYAI-KXBFYZLASA-N 1 0 372.465 4.056 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c2ccccc2n1 ZINC000595023953 1115504899 /nfs/dbraw/zinc/50/48/99/1115504899.db2.gz CZGDTBSMLYVQPZ-ZDUSSCGKSA-N 1 0 367.405 4.011 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1[N+](=O)[O-] ZINC000168466536 1115505897 /nfs/dbraw/zinc/50/58/97/1115505897.db2.gz WIDGTBDWJWJXLB-LLVKDONJSA-N 1 0 354.328 4.495 20 5 FIBDRO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C2CC2)cc1 ZINC000595002957 1115506750 /nfs/dbraw/zinc/50/67/50/1115506750.db2.gz COQFJNDCWIDMOJ-RBZFPXEDSA-N 1 0 356.422 4.414 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccccc1COC(C)C ZINC000595005189 1115507360 /nfs/dbraw/zinc/50/73/60/1115507360.db2.gz DTIGOUZQNGFRTC-HNNXBMFYSA-N 1 0 358.438 4.379 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000595008900 1115507922 /nfs/dbraw/zinc/50/79/22/1115507922.db2.gz XNWLZZVREOVRMO-LLVKDONJSA-N 1 0 354.328 4.473 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000595032617 1115510556 /nfs/dbraw/zinc/51/05/56/1115510556.db2.gz OBHSMDTVRCLEKK-URLQWDBASA-N 1 0 356.422 4.174 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(COC)cs2)cc1[N+](=O)[O-] ZINC000595077856 1115517086 /nfs/dbraw/zinc/51/70/86/1115517086.db2.gz QQYMPIMIMBWBHF-GFCCVEGCSA-N 1 0 350.440 4.052 20 5 FIBDRO Cc1cncc(CC[NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000595088381 1115517733 /nfs/dbraw/zinc/51/77/33/1115517733.db2.gz BKZCCGCYWZETLK-AWEZNQCLSA-N 1 0 368.462 4.315 20 5 FIBDRO Cc1noc(C[NH2+][C@H](C)[C@H](C)c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000595433466 1115535926 /nfs/dbraw/zinc/53/59/26/1115535926.db2.gz WWUUFVJANORAQW-VHSXEESVSA-N 1 0 357.332 4.192 20 5 FIBDRO CC(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000595686350 1115556948 /nfs/dbraw/zinc/55/69/48/1115556948.db2.gz XHHTUQGYRVVNNC-FZKQIMNGSA-N 1 0 359.401 4.048 20 5 FIBDRO COc1cc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000593113223 1115558626 /nfs/dbraw/zinc/55/86/26/1115558626.db2.gz NBTDQIBZUONMDU-UHFFFAOYSA-N 1 0 366.339 4.401 20 5 FIBDRO Cn1cc(C[NH2+]CC(C)(C)CC(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596063893 1115572986 /nfs/dbraw/zinc/57/29/86/1115572986.db2.gz PABXODSBJYBVOS-UHFFFAOYSA-N 1 0 370.375 4.064 20 5 FIBDRO Cc1cc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c([N+](=O)[O-])s1 ZINC000596224651 1115579179 /nfs/dbraw/zinc/57/91/79/1115579179.db2.gz YAQOKEANAOSMEF-UHFFFAOYSA-N 1 0 363.405 4.182 20 5 FIBDRO Cc1cc(N2CCC[C@H]([C@H]3CCCCO3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596506747 1115595871 /nfs/dbraw/zinc/59/58/71/1115595871.db2.gz SWBPYOXLTHENHT-MGPUTAFESA-N 1 0 355.438 4.237 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1)C(C)C ZINC000060350592 1115621496 /nfs/dbraw/zinc/62/14/96/1115621496.db2.gz XXJLEZDGKSHVPH-UHFFFAOYSA-N 1 0 367.449 4.028 20 5 FIBDRO CC[N@H+](CCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000593251787 1115631561 /nfs/dbraw/zinc/63/15/61/1115631561.db2.gz UJLZKHTWCWJAGQ-UHFFFAOYSA-N 1 0 367.877 4.023 20 5 FIBDRO C[C@H](O)C1([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000597234724 1115650026 /nfs/dbraw/zinc/65/00/26/1115650026.db2.gz PFRRYGCSJPXJRU-LBPRGKRZSA-N 1 0 362.813 4.044 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000603421446 1115772214 /nfs/dbraw/zinc/77/22/14/1115772214.db2.gz DOCKGOBPXGMYLP-LBPRGKRZSA-N 1 0 360.364 4.499 20 5 FIBDRO C[NH+](C)C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000598998949 1115775798 /nfs/dbraw/zinc/77/57/98/1115775798.db2.gz ZJSAJPKHFWFAJX-QGZVFWFLSA-N 1 0 368.264 4.294 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593658751 1115776002 /nfs/dbraw/zinc/77/60/02/1115776002.db2.gz VLBNBGMJLAUAIF-XFXZXTDPSA-N 1 0 358.335 4.365 20 5 FIBDRO C[NH+](C)C1CCC2(CC1)CCN(c1ccc3cnccc3c1[N+](=O)[O-])CC2 ZINC000599087129 1115788529 /nfs/dbraw/zinc/78/85/29/1115788529.db2.gz UULNZVADWICFDG-UHFFFAOYSA-N 1 0 368.481 4.234 20 5 FIBDRO COc1ccc([C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C2CC2)cn1 ZINC000599095516 1115788788 /nfs/dbraw/zinc/78/87/88/1115788788.db2.gz GALVYHCPGFRDBG-ICSRJNTNSA-N 1 0 367.449 4.462 20 5 FIBDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cc(OC)c(OC)c(OC)c1 ZINC000593708102 1115801551 /nfs/dbraw/zinc/80/15/51/1115801551.db2.gz HNKZREACCFXVHH-CZUORRHYSA-N 1 0 374.437 4.423 20 5 FIBDRO O=[N+]([O-])c1ccc([C@@H](NCCCCC[NH+]2CCCC2)C(F)(F)F)cc1 ZINC000593710516 1115801951 /nfs/dbraw/zinc/80/19/51/1115801951.db2.gz IOPPYTQZYDEKHQ-MRXNPFEDSA-N 1 0 359.392 4.054 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000593716301 1115803046 /nfs/dbraw/zinc/80/30/46/1115803046.db2.gz PLINWRSXNVFFKE-LPHOPBHVSA-N 1 0 364.511 4.260 20 5 FIBDRO COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c(C)c1)[NH+]1CCCC1 ZINC000603839112 1115818072 /nfs/dbraw/zinc/81/80/72/1115818072.db2.gz SBHLPSDGWLNNIO-LJQANCHMSA-N 1 0 355.438 4.161 20 5 FIBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000603860470 1115819920 /nfs/dbraw/zinc/81/99/20/1115819920.db2.gz CRJSDJRBTGPSAE-HZPDHXFCSA-N 1 0 356.470 4.313 20 5 FIBDRO O=[N+]([O-])c1c(NCc2ccccc2C[NH+]2CCCC2)ccc2ncccc21 ZINC000603844723 1115820298 /nfs/dbraw/zinc/82/02/98/1115820298.db2.gz QWBHWAYCTMWVPE-UHFFFAOYSA-N 1 0 362.433 4.351 20 5 FIBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3cccnc3[N+](=O)[O-])cc2)C1 ZINC000603862276 1115823010 /nfs/dbraw/zinc/82/30/10/1115823010.db2.gz KYLQYYBIJGWAPK-HZPDHXFCSA-N 1 0 354.454 4.080 20 5 FIBDRO C[C@@H](C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000599633221 1115832499 /nfs/dbraw/zinc/83/24/99/1115832499.db2.gz OFVJRMROLDMXSC-AWEZNQCLSA-N 1 0 358.442 4.293 20 5 FIBDRO CCC[C@H](NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000604044306 1115845600 /nfs/dbraw/zinc/84/56/00/1115845600.db2.gz GLXDXSSRWYDICJ-GUXCAODWSA-N 1 0 369.465 4.292 20 5 FIBDRO Cc1ccc(CCC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000604478605 1115866410 /nfs/dbraw/zinc/86/64/10/1115866410.db2.gz AMHVIFKLPNXYJI-QGZVFWFLSA-N 1 0 369.465 4.151 20 5 FIBDRO C[N@@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000604506836 1115868347 /nfs/dbraw/zinc/86/83/47/1115868347.db2.gz PITNSEVEEIEICY-QGZVFWFLSA-N 1 0 365.355 4.107 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3CC3CCCC3)o2)cc1 ZINC000594052353 1115979508 /nfs/dbraw/zinc/97/95/08/1115979508.db2.gz FBZMMIHLLUYOCJ-QGZVFWFLSA-N 1 0 356.426 4.190 20 5 FIBDRO COc1ccccc1CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000608835540 1116130978 /nfs/dbraw/zinc/13/09/78/1116130978.db2.gz ULPIWLZICUCGBR-UHFFFAOYSA-N 1 0 352.390 4.196 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]CCOc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000608835549 1116131027 /nfs/dbraw/zinc/13/10/27/1116131027.db2.gz WJACYAWRBWVLEJ-UHFFFAOYSA-N 1 0 368.389 4.032 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)c2c(c1)COCO2 ZINC000608909324 1116134914 /nfs/dbraw/zinc/13/49/14/1116134914.db2.gz NHVMLYXGGCQSBF-IBGZPJMESA-N 1 0 368.433 4.059 20 5 FIBDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C1 ZINC000609063559 1116176811 /nfs/dbraw/zinc/17/68/11/1116176811.db2.gz ODMPWSZLSQSDNM-UHFFFAOYSA-N 1 0 353.422 4.209 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCS[C@H]4CCCC[C@@H]43)co2)cc1 ZINC000089909229 1116352262 /nfs/dbraw/zinc/35/22/62/1116352262.db2.gz AKORIOXFAPTPML-IRXDYDNUSA-N 1 0 359.451 4.110 20 5 FIBDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)cc1OC ZINC000152885758 1116375480 /nfs/dbraw/zinc/37/54/80/1116375480.db2.gz NRRHRLPVBAHMLQ-AWEZNQCLSA-N 1 0 374.437 4.252 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000539819100 1116385275 /nfs/dbraw/zinc/38/52/75/1116385275.db2.gz MFQASMPSWQSESQ-QGZVFWFLSA-N 1 0 369.465 4.305 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@@H]2C[C@H](C)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000462738236 1117743577 /nfs/dbraw/zinc/74/35/77/1117743577.db2.gz YNJKKKQHDGFTTE-HNAYVOBHSA-N 1 0 367.449 4.002 20 5 FIBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[N@H+](C)Cc1ccccc1 ZINC000462841408 1117799554 /nfs/dbraw/zinc/79/95/54/1117799554.db2.gz PDYROLGLIGRKQT-CYBMUJFWSA-N 1 0 365.380 4.129 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000462847055 1117817816 /nfs/dbraw/zinc/81/78/16/1117817816.db2.gz XWOUWPJPMNDJJW-VYDXJSESSA-N 1 0 350.484 4.013 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000462873834 1117832592 /nfs/dbraw/zinc/83/25/92/1117832592.db2.gz JPTKFYNNUVOBIX-KOMQPUFPSA-N 1 0 361.239 4.393 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000462906031 1117851886 /nfs/dbraw/zinc/85/18/86/1117851886.db2.gz JUBRJYUGPXAXAL-MUMAZLPKSA-N 1 0 369.440 4.253 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c(Cl)c1 ZINC000463032425 1117935831 /nfs/dbraw/zinc/93/58/31/1117935831.db2.gz GVJZIUIRYCSRLF-HXUWFJFHSA-N 1 0 374.868 4.065 20 5 FIBDRO Cc1cnc(NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c([N+](=O)[O-])c1 ZINC000463047192 1117939321 /nfs/dbraw/zinc/93/93/21/1117939321.db2.gz CKXHBELNHOAZKT-INIZCTEOSA-N 1 0 354.454 4.285 20 5 FIBDRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540220423 1117949968 /nfs/dbraw/zinc/94/99/68/1117949968.db2.gz VMFYBZXBFJHEFQ-RSPPDBIESA-N 1 0 366.508 4.131 20 5 FIBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccc2)c1 ZINC000540376225 1118011466 /nfs/dbraw/zinc/01/14/66/1118011466.db2.gz KPAWIKOMHPANQG-IBGZPJMESA-N 1 0 370.840 4.018 20 5 FIBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000463187571 1118016072 /nfs/dbraw/zinc/01/60/72/1118016072.db2.gz BOWOHSFAPDOTDP-UHFFFAOYSA-N 1 0 373.884 4.045 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](c1cccs1)C1CC1 ZINC000540469083 1118083076 /nfs/dbraw/zinc/08/30/76/1118083076.db2.gz FRDKDYKFBWGMNT-SFHVURJKSA-N 1 0 359.451 4.034 20 5 FIBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)(C)c1ccccc1 ZINC000540522516 1118107248 /nfs/dbraw/zinc/10/72/48/1118107248.db2.gz SXLCHEGLIVHFTG-LJQANCHMSA-N 1 0 369.465 4.188 20 5 FIBDRO Cc1c([C@H](C)[NH2+]CCc2nc(-c3ccccn3)cs2)cccc1[N+](=O)[O-] ZINC000090044367 1118221674 /nfs/dbraw/zinc/22/16/74/1118221674.db2.gz JWPJPDCWIKEBLN-AWEZNQCLSA-N 1 0 368.462 4.315 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)cc1[N+](=O)[O-] ZINC000152971716 1118403239 /nfs/dbraw/zinc/40/32/39/1118403239.db2.gz HUPJMIUNWYGLBO-CQSZACIVSA-N 1 0 359.426 4.027 20 5 FIBDRO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000541555810 1118561861 /nfs/dbraw/zinc/56/18/61/1118561861.db2.gz NNRDBWMOXYQDJU-XIKOKIGWSA-N 1 0 364.829 4.123 20 5 FIBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(Cl)s1 ZINC000541627644 1118588069 /nfs/dbraw/zinc/58/80/69/1118588069.db2.gz UJRMWTYERBTKIC-GFCCVEGCSA-N 1 0 367.858 4.298 20 5 FIBDRO COc1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)ccc1OC(F)F ZINC000541773693 1118645363 /nfs/dbraw/zinc/64/53/63/1118645363.db2.gz ILOADMUKKFGKHU-UHFFFAOYSA-N 1 0 366.364 4.145 20 5 FIBDRO CC(C)Oc1cccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000464775989 1118689670 /nfs/dbraw/zinc/68/96/70/1118689670.db2.gz NENZICDQHCQATG-UHFFFAOYSA-N 1 0 370.449 4.425 20 5 FIBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C)C[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000464849743 1118722285 /nfs/dbraw/zinc/72/22/85/1118722285.db2.gz IHBZLVCYRBGHFR-HOCLYGCPSA-N 1 0 360.410 4.048 20 5 FIBDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCO2 ZINC000090217636 1118723205 /nfs/dbraw/zinc/72/32/05/1118723205.db2.gz FBCODIIVYIIGMJ-KSSFIOAISA-N 1 0 356.422 4.476 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000542132916 1118808378 /nfs/dbraw/zinc/80/83/78/1118808378.db2.gz KAMLQUMXZMSPQH-QGZVFWFLSA-N 1 0 356.470 4.353 20 5 FIBDRO COCCCOc1cccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000193041732 1118891123 /nfs/dbraw/zinc/89/11/23/1118891123.db2.gz GVOBQCDJIGYCLK-OAQYLSRUSA-N 1 0 370.449 4.177 20 5 FIBDRO CC(C)([NH2+]Cc1ccc(Br)s1)c1ccccc1[N+](=O)[O-] ZINC000492196624 1119040723 /nfs/dbraw/zinc/04/07/23/1119040723.db2.gz ZGNJNNLOEUZGFO-UHFFFAOYSA-N 1 0 355.257 4.444 20 5 FIBDRO CC(C)c1nnc(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)s1 ZINC000492275269 1119062686 /nfs/dbraw/zinc/06/26/86/1119062686.db2.gz NKZWNNXSKUZUNK-UHFFFAOYSA-N 1 0 372.450 4.162 20 5 FIBDRO CCCCN(CC)Cn1nc(-c2ccc([N+](=O)[O-])cc2)n(CC)c1=S ZINC000152155871 1119127916 /nfs/dbraw/zinc/12/79/16/1119127916.db2.gz YOIHHXXWYJOTQI-UHFFFAOYSA-N 1 0 363.487 4.089 20 5 FIBDRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)ccc1[N+](=O)[O-] ZINC000492611073 1119145982 /nfs/dbraw/zinc/14/59/82/1119145982.db2.gz YZZPVEOQZLQLMK-HNNXBMFYSA-N 1 0 366.421 4.030 20 5 FIBDRO CCOc1cc(C[NH+]2CCC(OC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000492696731 1119166442 /nfs/dbraw/zinc/16/64/42/1119166442.db2.gz OVCLHWPWZJKXAZ-UHFFFAOYSA-N 1 0 362.470 4.307 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000492756593 1119185063 /nfs/dbraw/zinc/18/50/63/1119185063.db2.gz JZOLHLUOSYLVOS-OAHLLOKOSA-N 1 0 355.438 4.054 20 5 FIBDRO O=[N+]([O-])c1c(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc2ncccc21 ZINC000312139539 1119406638 /nfs/dbraw/zinc/40/66/38/1119406638.db2.gz VPKRJIYDHOPPOK-KRWDZBQOSA-N 1 0 362.433 4.220 20 5 FIBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000761524175 1119407333 /nfs/dbraw/zinc/40/73/33/1119407333.db2.gz WUYIQIZZAJZJCF-SFHVURJKSA-N 1 0 373.884 4.250 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)cc1Cl ZINC000761520347 1119409431 /nfs/dbraw/zinc/40/94/31/1119409431.db2.gz BQNIMBOIOCFTAC-QGZVFWFLSA-N 1 0 363.845 4.158 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2nc3c(s2)CCCC3)cc1Cl ZINC000761522282 1119409446 /nfs/dbraw/zinc/40/94/46/1119409446.db2.gz XDQVQDGCORTROP-UHFFFAOYSA-N 1 0 365.886 4.306 20 5 FIBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 ZINC000031531916 1119496980 /nfs/dbraw/zinc/49/69/80/1119496980.db2.gz CEHYURHKCJSROD-UHFFFAOYSA-N 1 0 373.478 4.411 20 5 FIBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494036512 1119526855 /nfs/dbraw/zinc/52/68/55/1119526855.db2.gz CVVNKTZOTUPQCL-QRWLVFNGSA-N 1 0 370.449 4.394 20 5 FIBDRO CCCC[N@H+](C)CC1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000494174766 1119550979 /nfs/dbraw/zinc/55/09/79/1119550979.db2.gz BZIGUJJOORPCKI-UHFFFAOYSA-N 1 0 353.894 4.192 20 5 FIBDRO Cc1nc(-c2cccc(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)c2)[nH]c1C ZINC000761597297 1119651889 /nfs/dbraw/zinc/65/18/89/1119651889.db2.gz ABGQDFCLPGDCSC-GFCCVEGCSA-N 1 0 364.405 4.344 20 5 FIBDRO C/C(=C\c1ccccc1)C[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000494275415 1119811747 /nfs/dbraw/zinc/81/17/47/1119811747.db2.gz ZJSKHRUGHCUYJR-JQIJEIRASA-N 1 0 367.449 4.267 20 5 FIBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C12CCC2 ZINC000494514749 1119884486 /nfs/dbraw/zinc/88/44/86/1119884486.db2.gz XGHRQEYHSWFAGV-CABCVRRESA-N 1 0 358.360 4.051 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCCC(F)(F)C2)n1 ZINC000495009004 1120427331 /nfs/dbraw/zinc/42/73/31/1120427331.db2.gz ZAZPXTVRKQRLLM-SOUVJXGZSA-N 1 0 356.417 4.080 20 5 FIBDRO CC1CCC(c2noc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)CC1 ZINC000761793040 1120428021 /nfs/dbraw/zinc/42/80/21/1120428021.db2.gz MIZASNXUYKSUAH-UHFFFAOYSA-N 1 0 353.382 4.124 20 5 FIBDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000130378351 1120934605 /nfs/dbraw/zinc/93/46/05/1120934605.db2.gz CHRKIHIFXUAZCU-NEWSRXKRSA-N 1 0 370.497 4.397 20 5 FIBDRO C[N@H+](CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CCCC1 ZINC000609223701 1121001706 /nfs/dbraw/zinc/00/17/06/1121001706.db2.gz IEOJRPWOFZHASY-UHFFFAOYSA-N 1 0 359.495 4.287 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)cccc1[N+](=O)[O-] ZINC000090656979 1121102327 /nfs/dbraw/zinc/10/23/27/1121102327.db2.gz MMQQIGSNRGCJED-QFBILLFUSA-N 1 0 356.466 4.356 20 5 FIBDRO Cc1cc(NC2CC[NH+](Cc3ccccn3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301434375 1121155689 /nfs/dbraw/zinc/15/56/89/1121155689.db2.gz IRTCGSFOQMFCRI-UHFFFAOYSA-N 1 0 360.845 4.028 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000301452079 1121985298 /nfs/dbraw/zinc/98/52/98/1121985298.db2.gz UKKGLJYGWFKPBH-UHFFFAOYSA-N 1 0 361.486 4.198 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2c[nH]nc2-c2cccs2)C2CC2)cc1 ZINC000154257063 1122010066 /nfs/dbraw/zinc/01/00/66/1122010066.db2.gz UEYKIOXYKLJIOO-UHFFFAOYSA-N 1 0 354.435 4.211 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2csc(C(C)C)n2)cc1[N+](=O)[O-] ZINC000153502151 1122112956 /nfs/dbraw/zinc/11/29/56/1122112956.db2.gz DZUSLYVEMXLTBJ-ZDUSSCGKSA-N 1 0 363.483 4.467 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000765820479 1122158394 /nfs/dbraw/zinc/15/83/94/1122158394.db2.gz YDFWNGGLDMWYJN-LIRRHRJNSA-N 1 0 362.857 4.067 20 5 FIBDRO CC(=O)c1ccc(NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000301485320 1122169242 /nfs/dbraw/zinc/16/92/42/1122169242.db2.gz WKMAHGHUWYDRII-SFHVURJKSA-N 1 0 361.829 4.166 20 5 FIBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000301544735 1122218330 /nfs/dbraw/zinc/21/83/30/1122218330.db2.gz OPADDSUAMSUSOR-DZGCQCFKSA-N 1 0 360.845 4.108 20 5 FIBDRO CSC[C@](C)(O)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000153615731 1122244571 /nfs/dbraw/zinc/24/45/71/1122244571.db2.gz KPHBGZJGZWEPLO-SJKOYZFVSA-N 1 0 366.508 4.088 20 5 FIBDRO COc1cc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000301608949 1122251486 /nfs/dbraw/zinc/25/14/86/1122251486.db2.gz AMAZCDVKABZOKF-HNNXBMFYSA-N 1 0 365.430 4.053 20 5 FIBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@H](C)c3ccncc3)o2)c([N+](=O)[O-])c1 ZINC000542693427 1122290228 /nfs/dbraw/zinc/29/02/28/1122290228.db2.gz ZMXJHMVIWSAISU-CQSZACIVSA-N 1 0 367.405 4.451 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000542700694 1122296616 /nfs/dbraw/zinc/29/66/16/1122296616.db2.gz UUSGCCHTPBPTJN-UHFFFAOYSA-N 1 0 374.868 4.395 20 5 FIBDRO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000917437969 1122303975 /nfs/dbraw/zinc/30/39/75/1122303975.db2.gz QJKYQUMRZDTDIT-OAHLLOKOSA-N 1 0 350.422 4.203 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](Nc1ccccc1)C(C)C ZINC000609287344 1122816794 /nfs/dbraw/zinc/81/67/94/1122816794.db2.gz FDJBOCQORIROOB-LJQANCHMSA-N 1 0 357.454 4.220 20 5 FIBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1OC ZINC000609289018 1122844085 /nfs/dbraw/zinc/84/40/85/1122844085.db2.gz OHFZGSCEMLMOQD-HNNXBMFYSA-N 1 0 372.465 4.456 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000556522058 1122939459 /nfs/dbraw/zinc/93/94/59/1122939459.db2.gz ZCLHRYYHKZUDJE-UHFFFAOYSA-N 1 0 361.829 4.020 20 5 FIBDRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556873492 1123155970 /nfs/dbraw/zinc/15/59/70/1123155970.db2.gz YIZAKOAUQLHNEW-HHXXYDBFSA-N 1 0 356.470 4.222 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000556896054 1123173368 /nfs/dbraw/zinc/17/33/68/1123173368.db2.gz BORGBIZQXUICDF-IBGZPJMESA-N 1 0 369.465 4.027 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CCO)c2ccccc2)o1 ZINC000077468034 1123681932 /nfs/dbraw/zinc/68/19/32/1123681932.db2.gz YGFPAYVCNMIYQP-GOSISDBHSA-N 1 0 352.390 4.068 20 5 FIBDRO CC(C)c1ccc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000609393067 1123692126 /nfs/dbraw/zinc/69/21/26/1123692126.db2.gz VDLWPQYLFSKRNX-UHFFFAOYSA-N 1 0 355.438 4.225 20 5 FIBDRO CC1CCC(OC2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000609386550 1123699063 /nfs/dbraw/zinc/69/90/63/1123699063.db2.gz GZKYSGCAXOKCPV-UHFFFAOYSA-N 1 0 362.470 4.033 20 5 FIBDRO CC1CC[NH+](C[C@H]2CCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000609709266 1123804653 /nfs/dbraw/zinc/80/46/53/1123804653.db2.gz NPMZLIKXRCOSKO-MRXNPFEDSA-N 1 0 365.905 4.192 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCOC2CCCCCC2)c1 ZINC000609825941 1123850769 /nfs/dbraw/zinc/85/07/69/1123850769.db2.gz CWXQVCRXTQVEBU-UHFFFAOYSA-N 1 0 358.385 4.025 20 5 FIBDRO Cn1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(-c2ccccc2)n1 ZINC000179695318 1124031926 /nfs/dbraw/zinc/03/19/26/1124031926.db2.gz RXNDUTYPXKEHHQ-UHFFFAOYSA-N 1 0 362.433 4.160 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(CNC3(c4cccc(F)c4)CC3)co2)cc1 ZINC000179698647 1124032629 /nfs/dbraw/zinc/03/26/29/1124032629.db2.gz RLVHECOELDZZKP-UHFFFAOYSA-N 1 0 353.353 4.168 20 5 FIBDRO COc1ccc2c(c1)CC[C@H]([NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C2 ZINC000615727441 1124108839 /nfs/dbraw/zinc/10/88/39/1124108839.db2.gz VZQCBVFSLSKCKQ-XATQLNLPSA-N 1 0 352.434 4.154 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(c2cccs2)CC1 ZINC000615723934 1124108915 /nfs/dbraw/zinc/10/89/15/1124108915.db2.gz AMTLTIKFLDNAQY-NTCAYCPXSA-N 1 0 357.479 4.318 20 5 FIBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1 ZINC000765849369 1124192919 /nfs/dbraw/zinc/19/29/19/1124192919.db2.gz PRBBKFOAPVCEFX-ACJLOTCBSA-N 1 0 369.446 4.103 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2cn3ccccc3n2)s1 ZINC000237963538 1124207802 /nfs/dbraw/zinc/20/78/02/1124207802.db2.gz YSPOQJOONBEJCQ-UHFFFAOYSA-N 1 0 364.430 4.261 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000462789373 1124516738 /nfs/dbraw/zinc/51/67/38/1124516738.db2.gz IYHHYHFNRIRRKV-CYBMUJFWSA-N 1 0 357.401 4.263 20 5 FIBDRO CCOc1cc2c(cc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000153863726 1124746783 /nfs/dbraw/zinc/74/67/83/1124746783.db2.gz LRNJIXHAUDWVFE-UONOGXRCSA-N 1 0 356.422 4.168 20 5 FIBDRO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000153863616 1124747189 /nfs/dbraw/zinc/74/71/89/1124747189.db2.gz LRNJIXHAUDWVFE-KBPBESRZSA-N 1 0 356.422 4.168 20 5 FIBDRO CCc1nc2cc(C[NH2+]Cc3ccccc3[N+](=O)[O-])ccc2n1C1CC1 ZINC000554924072 1124836363 /nfs/dbraw/zinc/83/63/63/1124836363.db2.gz VBVRFIYVXDGALG-UHFFFAOYSA-N 1 0 350.422 4.132 20 5 FIBDRO O=[N+]([O-])c1ccc(Br)cc1NC1CC[NH+](C2CCCC2)CC1 ZINC000301670314 1124945295 /nfs/dbraw/zinc/94/52/95/1124945295.db2.gz NPOMDBCGDWTAGM-UHFFFAOYSA-N 1 0 368.275 4.176 20 5 FIBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCCC2)c2ccncc21 ZINC000198604813 1124995641 /nfs/dbraw/zinc/99/56/41/1124995641.db2.gz TVEPMKSKEAZIGO-UHFFFAOYSA-N 1 0 362.433 4.351 20 5 FIBDRO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)(C)c1ccccc1 ZINC000181791870 1125135896 /nfs/dbraw/zinc/13/58/96/1125135896.db2.gz XPWGJIURDDHAMD-AWEZNQCLSA-N 1 0 366.421 4.101 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC(C)C)c2)cc1[N+](=O)[O-] ZINC000181813374 1125143545 /nfs/dbraw/zinc/14/35/45/1125143545.db2.gz YXMBEHISBCLAAT-INIZCTEOSA-N 1 0 369.465 4.140 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000181816829 1125144099 /nfs/dbraw/zinc/14/40/99/1125144099.db2.gz JOPKENSFALDMQP-OAHLLOKOSA-N 1 0 355.438 4.316 20 5 FIBDRO COc1ccccc1CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113313265 1125149270 /nfs/dbraw/zinc/14/92/70/1125149270.db2.gz YXAAFIIOJFXVPQ-UHFFFAOYSA-N 1 0 369.446 4.059 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301747237 1125194404 /nfs/dbraw/zinc/19/44/04/1125194404.db2.gz QRNLPMULSQZVRL-AWEZNQCLSA-N 1 0 366.893 4.124 20 5 FIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@H](C)O ZINC000077429336 1125200035 /nfs/dbraw/zinc/20/00/35/1125200035.db2.gz GPZPLEKUXRRTJK-NEPJUHHUSA-N 1 0 352.818 4.005 20 5 FIBDRO COc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571697 1125212254 /nfs/dbraw/zinc/21/22/54/1125212254.db2.gz MPIMOGADCQUZBI-QZTJIDSGSA-N 1 0 354.406 4.094 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000182163661 1125269904 /nfs/dbraw/zinc/26/99/04/1125269904.db2.gz LIHFXQFIHKUBMH-OEPMTFCVSA-N 1 0 362.376 4.362 20 5 FIBDRO C[N@@H+]1CCC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000301793445 1125299039 /nfs/dbraw/zinc/29/90/39/1125299039.db2.gz PCVPSFMGSSLPIX-APPDUMDISA-N 1 0 367.421 4.430 20 5 FIBDRO C[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Oc1ccccc1 ZINC000113956162 1125313314 /nfs/dbraw/zinc/31/33/14/1125313314.db2.gz NEFITEOMNKBPIH-CQSZACIVSA-N 1 0 369.446 4.275 20 5 FIBDRO C[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Oc1ccccc1 ZINC000113956159 1125313371 /nfs/dbraw/zinc/31/33/71/1125313371.db2.gz NEFITEOMNKBPIH-AWEZNQCLSA-N 1 0 369.446 4.275 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000109093823 206044799 /nfs/dbraw/zinc/04/47/99/206044799.db2.gz CBHCQRPJEZVLOA-IBGZPJMESA-N 1 0 353.422 4.069 20 5 FIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000541846792 567979998 /nfs/dbraw/zinc/97/99/98/567979998.db2.gz SLJYZCHWINLXMR-GFCCVEGCSA-N 1 0 373.840 4.026 20 5 FIBDRO COc1cccc(C2(C[NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)CC2)c1 ZINC000568569118 568056485 /nfs/dbraw/zinc/05/64/85/568056485.db2.gz DEJMDEVGKIPIEO-HXUWFJFHSA-N 1 0 366.461 4.246 20 5 FIBDRO COc1ncc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl ZINC000568775803 568206858 /nfs/dbraw/zinc/20/68/58/568206858.db2.gz DMOROGQZWZMFDU-SNVBAGLBSA-N 1 0 370.236 4.199 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)cc1 ZINC000568802870 568228262 /nfs/dbraw/zinc/22/82/62/568228262.db2.gz HOGCXSKTTNFVFI-UHFFFAOYSA-N 1 0 355.369 4.255 20 5 FIBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)c1ccco1 ZINC000482050067 568239311 /nfs/dbraw/zinc/23/93/11/568239311.db2.gz OZNICYHPLIDITG-GDBMZVCRSA-N 1 0 374.441 4.056 20 5 FIBDRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2c(C)n[nH]c2C)cc1[N+](=O)[O-] ZINC000568918239 568252124 /nfs/dbraw/zinc/25/21/24/568252124.db2.gz WJNXOBRQBMHHRR-MRXNPFEDSA-N 1 0 358.442 4.061 20 5 FIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000482071877 568253827 /nfs/dbraw/zinc/25/38/27/568253827.db2.gz HKRYCWBKFVWWPM-HNAYVOBHSA-N 1 0 370.453 4.025 20 5 FIBDRO CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000541998953 568378333 /nfs/dbraw/zinc/37/83/33/568378333.db2.gz JJWSCOLIJQJFOK-CYBMUJFWSA-N 1 0 368.861 4.192 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000569629790 568411108 /nfs/dbraw/zinc/41/11/08/568411108.db2.gz IQQPPOSSOZMKEZ-YZGWKJHDSA-N 1 0 365.477 4.110 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000569748766 568429379 /nfs/dbraw/zinc/42/93/79/568429379.db2.gz AVIYJNSTRBEVEP-DAXSKMNVSA-N 1 0 370.424 4.129 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C[C@H]2OC)ccc1[N+](=O)[O-] ZINC000570650056 568493649 /nfs/dbraw/zinc/49/36/49/568493649.db2.gz SNIFSZNQHAFVRW-QWFCFKBJSA-N 1 0 370.449 4.044 20 5 FIBDRO CN(CC1CC[NH+](C)CC1)c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001165041265 721934247 /nfs/dbraw/zinc/93/42/47/721934247.db2.gz NGVGQOCMBIGILZ-UHFFFAOYSA-N 1 0 354.885 4.214 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165047037 721967730 /nfs/dbraw/zinc/96/77/30/721967730.db2.gz IFEFFIXBMPPCGH-LBPRGKRZSA-N 1 0 373.284 4.141 20 5 FIBDRO Cn1cc(C[NH2+]CC(C)(C)c2cccs2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000114508880 1125544011 /nfs/dbraw/zinc/54/40/11/1125544011.db2.gz ZQIBZHVAWAQSBU-UHFFFAOYSA-N 1 0 370.478 4.124 20 5 FIBDRO Cc1cc(NCc2ncoc2-c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543048115 1125561260 /nfs/dbraw/zinc/56/12/60/1125561260.db2.gz UBAUZNTZSFSVAG-UHFFFAOYSA-N 1 0 360.373 4.140 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000619722716 1125668686 /nfs/dbraw/zinc/66/86/86/1125668686.db2.gz UZGNKHJUQRPEIQ-CVEARBPZSA-N 1 0 354.454 4.068 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000183145427 1125757262 /nfs/dbraw/zinc/75/72/62/1125757262.db2.gz LPNWZSDJNAYAOS-ZDUSSCGKSA-N 1 0 356.813 4.285 20 5 FIBDRO Cc1c(NC(=O)CC[N@H+](C)CCCCc2ccccc2)cccc1[N+](=O)[O-] ZINC001167053803 1079700788 /nfs/dbraw/zinc/70/07/88/1079700788.db2.gz ABCFTPBRPKBMHH-UHFFFAOYSA-N 1 0 369.465 4.187 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)o2)c1 ZINC000535808671 1079791600 /nfs/dbraw/zinc/79/16/00/1079791600.db2.gz QYXFMRVFTSDHBS-IAGOWNOFSA-N 1 0 356.422 4.103 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000430199006 1079908013 /nfs/dbraw/zinc/90/80/13/1079908013.db2.gz ASIGNCNHKHOAHD-NSHDSACASA-N 1 0 354.328 4.473 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000430210767 1079971487 /nfs/dbraw/zinc/97/14/87/1079971487.db2.gz FMWVZNSOVGZGMA-HNNXBMFYSA-N 1 0 355.438 4.054 20 5 FIBDRO CCc1nc(C)c([C@H](C)[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000610215083 1079975300 /nfs/dbraw/zinc/97/53/00/1079975300.db2.gz LVBUODQOZMELMY-AWEZNQCLSA-N 1 0 363.483 4.384 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H](CCO)C2CCCCC2)c1 ZINC000559148693 1080037366 /nfs/dbraw/zinc/03/73/66/1080037366.db2.gz QMFRXZDSCFHXMT-INIZCTEOSA-N 1 0 360.376 4.035 20 5 FIBDRO CN(C(=O)C[NH2+][C@@H](c1ccccc1)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000533384910 1080065042 /nfs/dbraw/zinc/06/50/42/1080065042.db2.gz POOVZKBYTUOVTR-NRFANRHFSA-N 1 0 367.449 4.079 20 5 FIBDRO Cc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c(O[C@H]2CCOC2)c1 ZINC000120604340 1080314833 /nfs/dbraw/zinc/31/48/33/1080314833.db2.gz CMCNYHPUPKRGPM-APWZRJJASA-N 1 0 370.449 4.230 20 5 FIBDRO C[N@H+](Cc1ccco1)Cc1ccccc1CNc1ccc([N+](=O)[O-])s1 ZINC000078335895 1080488057 /nfs/dbraw/zinc/48/80/57/1080488057.db2.gz BBJISPBAUHGDND-UHFFFAOYSA-N 1 0 357.435 4.493 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(C[N@H+](CCc3cccc(F)c3)C3CC3)nc2c1 ZINC000083173138 1080561731 /nfs/dbraw/zinc/56/17/31/1080561731.db2.gz AXDGQRLWWQALTI-UHFFFAOYSA-N 1 0 355.369 4.082 20 5 FIBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175789802 1080784679 /nfs/dbraw/zinc/78/46/79/1080784679.db2.gz OVIRINUMNWAEHH-UHFFFAOYSA-N 1 0 373.840 4.139 20 5 FIBDRO CC[C@H](O)CCC[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610271016 1080993069 /nfs/dbraw/zinc/99/30/69/1080993069.db2.gz CARXWEIRSGDYEX-SFHVURJKSA-N 1 0 357.454 4.003 20 5 FIBDRO COc1cc2c(cc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 ZINC000610271478 1080999657 /nfs/dbraw/zinc/99/96/57/1080999657.db2.gz MKOCKBCCNWRTGL-OAHLLOKOSA-N 1 0 370.449 4.039 20 5 FIBDRO COc1cc2c(cc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2 ZINC000610271477 1080999766 /nfs/dbraw/zinc/99/97/66/1080999766.db2.gz MKOCKBCCNWRTGL-HNNXBMFYSA-N 1 0 370.449 4.039 20 5 FIBDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000610271398 1080999817 /nfs/dbraw/zinc/99/98/17/1080999817.db2.gz USGIYPJFCOJQPQ-QGZVFWFLSA-N 1 0 362.401 4.023 20 5 FIBDRO COc1ccc([C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C2CC2)cn1 ZINC000599019492 1081077929 /nfs/dbraw/zinc/07/79/29/1081077929.db2.gz DYCLKWJTHRFECT-HXUWFJFHSA-N 1 0 355.438 4.363 20 5 FIBDRO CCS[C@@H]1CCC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000176982711 1081176931 /nfs/dbraw/zinc/17/69/31/1081176931.db2.gz JBZXNOATNYUABS-FUHWJXTLSA-N 1 0 374.510 4.149 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](CSc4ccccc4)C3)nc2c1 ZINC000177161279 1081198793 /nfs/dbraw/zinc/19/87/93/1081198793.db2.gz HXMHHJKYTBVAJD-CQSZACIVSA-N 1 0 369.446 4.350 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]3Cc3cccc(F)c3)nc2c1 ZINC000083168764 1081267027 /nfs/dbraw/zinc/26/70/27/1081267027.db2.gz MQTNJEPZQLCTPT-HNNXBMFYSA-N 1 0 355.369 4.082 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000610341781 1081496878 /nfs/dbraw/zinc/49/68/78/1081496878.db2.gz XTZCUZKMTIXLKS-SUMWQHHRSA-N 1 0 373.840 4.094 20 5 FIBDRO CC(C)(C)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC001167356989 1081619994 /nfs/dbraw/zinc/61/99/94/1081619994.db2.gz PZAZKKUDFIULSC-UHFFFAOYSA-N 1 0 355.438 4.082 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCSC3)o2)c(Cl)c1 ZINC000579552743 1081872340 /nfs/dbraw/zinc/87/23/40/1081872340.db2.gz BYCOZKFKNMVYKL-NSHDSACASA-N 1 0 352.843 4.351 20 5 FIBDRO CC[NH+](CC)Cc1cccc(N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000579672036 1081972708 /nfs/dbraw/zinc/97/27/08/1081972708.db2.gz SGZMXVVGUGHVBL-RBUKOAKNSA-N 1 0 371.485 4.229 20 5 FIBDRO COc1ccc([C@@H](C)[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000537028273 1081985487 /nfs/dbraw/zinc/98/54/87/1081985487.db2.gz QLQAASOTBIFMIT-CQSZACIVSA-N 1 0 367.405 4.152 20 5 FIBDRO [NH3+]C1(c2noc(-c3cc([N+](=O)[O-])ccc3Oc3ccccc3)n2)CCCC1 ZINC000261897788 1082030080 /nfs/dbraw/zinc/03/00/80/1082030080.db2.gz YFFHYAYNLQGDHH-UHFFFAOYSA-N 1 0 366.377 4.165 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)C3CCCC3)o2)c(Cl)c1 ZINC000580604104 1082039398 /nfs/dbraw/zinc/03/93/98/1082039398.db2.gz JWNWMFABNJBHOK-KRWDZBQOSA-N 1 0 364.829 4.149 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000471602379 1082047073 /nfs/dbraw/zinc/04/70/73/1082047073.db2.gz NSCFLMZQGXWVDB-LLGFUMIMSA-N 1 0 355.482 4.197 20 5 FIBDRO CC(C)C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000580676628 1082075893 /nfs/dbraw/zinc/07/58/93/1082075893.db2.gz BREVBQXJFBJRJK-OAHLLOKOSA-N 1 0 361.467 4.362 20 5 FIBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccco1 ZINC000579878572 1082149786 /nfs/dbraw/zinc/14/97/86/1082149786.db2.gz PKUKECLQJFMLKZ-YOEHRIQHSA-N 1 0 373.453 4.170 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000156704009 1082239550 /nfs/dbraw/zinc/23/95/50/1082239550.db2.gz DOEIDHMYHMVCBO-HZPDHXFCSA-N 1 0 367.449 4.442 20 5 FIBDRO Cc1cc(C)c(NC(=O)CCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000177887786 1082278152 /nfs/dbraw/zinc/27/81/52/1082278152.db2.gz ASLUJJKOWMYELG-UHFFFAOYSA-N 1 0 369.465 4.371 20 5 FIBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1C[C@H](OCC)C1(C)C ZINC001167446673 1082318926 /nfs/dbraw/zinc/31/89/26/1082318926.db2.gz BZYNZUXGVNVJMS-ROUUACIJSA-N 1 0 350.459 4.019 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000156843265 1082345185 /nfs/dbraw/zinc/34/51/85/1082345185.db2.gz AJIYJWXGLNZXPY-HZPDHXFCSA-N 1 0 367.449 4.442 20 5 FIBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000610539466 1082569168 /nfs/dbraw/zinc/56/91/68/1082569168.db2.gz RRUZWKXBONGXMY-SJKOYZFVSA-N 1 0 361.829 4.316 20 5 FIBDRO Cc1ccc(CN2CCC[C@@H]2c2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000510432679 1082674241 /nfs/dbraw/zinc/67/42/41/1082674241.db2.gz XSZFWJSRGBHFSX-GOSISDBHSA-N 1 0 350.422 4.127 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000581617872 1082712440 /nfs/dbraw/zinc/71/24/40/1082712440.db2.gz HNYXPKUPVHKEAM-CQSZACIVSA-N 1 0 352.312 4.112 20 5 FIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132249 1082734898 /nfs/dbraw/zinc/73/48/98/1082734898.db2.gz VEZKWMBZQUUUKT-PZJWPPBQSA-N 1 0 354.450 4.237 20 5 FIBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051131993 1082735731 /nfs/dbraw/zinc/73/57/31/1082735731.db2.gz COUNAAVZKVLLTD-GHTZIAJQSA-N 1 0 370.449 4.073 20 5 FIBDRO Cc1ccc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC001167482243 1082878496 /nfs/dbraw/zinc/87/84/96/1082878496.db2.gz HPFAXDCIPIUWAC-LJQANCHMSA-N 1 0 367.449 4.459 20 5 FIBDRO CCC[C@@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178324019 1083181378 /nfs/dbraw/zinc/18/13/78/1083181378.db2.gz KAQJTCIKWVIXDV-FOIQADDNSA-N 1 0 365.437 4.368 20 5 FIBDRO CC(C)COC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000510620667 1083206049 /nfs/dbraw/zinc/20/60/49/1083206049.db2.gz YBAUPCXYNMAJGP-UHFFFAOYSA-N 1 0 358.438 4.492 20 5 FIBDRO CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(Cl)s1 ZINC000098071791 1083213539 /nfs/dbraw/zinc/21/35/39/1083213539.db2.gz SYODYPCGKBTCSZ-UHFFFAOYSA-N 1 0 367.858 4.079 20 5 FIBDRO Cc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)s1 ZINC000179372305 1083394844 /nfs/dbraw/zinc/39/48/44/1083394844.db2.gz OIZNCHTWTHESQN-STQMWFEESA-N 1 0 361.467 4.259 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CCCOC(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000510935886 1083510772 /nfs/dbraw/zinc/51/07/72/1083510772.db2.gz USNPUJFQGIDGEU-INIZCTEOSA-N 1 0 354.353 4.059 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)s1 ZINC000535799215 1083675069 /nfs/dbraw/zinc/67/50/69/1083675069.db2.gz HAEWTTXBRLNZOP-YOEHRIQHSA-N 1 0 358.463 4.324 20 5 FIBDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610804785 1083710610 /nfs/dbraw/zinc/71/06/10/1083710610.db2.gz GLMZOXUWKDJHOK-HUUCEWRRSA-N 1 0 359.857 4.425 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)cccc1[N+](=O)[O-] ZINC000610812608 1083725779 /nfs/dbraw/zinc/72/57/79/1083725779.db2.gz DBGYQAAZVRUSDH-HIFRSBDPSA-N 1 0 361.392 4.111 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610828238 1083744815 /nfs/dbraw/zinc/74/48/15/1083744815.db2.gz PLBITZWCAYJNTK-UXHICEINSA-N 1 0 364.449 4.353 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2CCC(C)=C(c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000548930865 1083792715 /nfs/dbraw/zinc/79/27/15/1083792715.db2.gz UYUYDOAEKUQUPY-UHFFFAOYSA-N 1 0 369.421 4.004 20 5 FIBDRO Cc1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)ccc1C[NH+](C)C ZINC000458272527 1083793615 /nfs/dbraw/zinc/79/36/15/1083793615.db2.gz WHDOYVPYPXHFBU-UHFFFAOYSA-N 1 0 373.428 4.020 20 5 FIBDRO CC[N@H+](CCc1nccs1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000180026966 1084065319 /nfs/dbraw/zinc/06/53/19/1084065319.db2.gz VMEFXPCNNDMMDA-UHFFFAOYSA-N 1 0 357.435 4.376 20 5 FIBDRO Cc1ccc(C(C)(C)C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC001167505503 1084198451 /nfs/dbraw/zinc/19/84/51/1084198451.db2.gz SZNRMWPVRPNQBL-UHFFFAOYSA-N 1 0 352.438 4.189 20 5 FIBDRO CCC[N@H+](Cc1ccc(C)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000611565455 1084229627 /nfs/dbraw/zinc/22/96/27/1084229627.db2.gz GRYNNGLOIWCKNL-UHFFFAOYSA-N 1 0 356.422 4.182 20 5 FIBDRO C[C@@H]1[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC12CCOCC2 ZINC000580290954 1084404065 /nfs/dbraw/zinc/40/40/65/1084404065.db2.gz UFDUWNWDOSHJFQ-LBPRGKRZSA-N 1 0 358.360 4.005 20 5 FIBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1cccc(Cl)c1 ZINC000539229374 1084418787 /nfs/dbraw/zinc/41/87/87/1084418787.db2.gz HCFSPOLPBNKUHO-INIZCTEOSA-N 1 0 361.829 4.236 20 5 FIBDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4ccc([N+](=O)[O-])cc4F)C3)nc2c1 ZINC000539247585 1084434148 /nfs/dbraw/zinc/43/41/48/1084434148.db2.gz IDUPLAURYWXVAO-OAHLLOKOSA-N 1 0 368.412 4.298 20 5 FIBDRO CC(C)(CF)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000472144798 1084530723 /nfs/dbraw/zinc/53/07/23/1084530723.db2.gz WXOJJFVGJGRPEB-UHFFFAOYSA-N 1 0 371.206 4.455 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](F)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000581432669 1084546173 /nfs/dbraw/zinc/54/61/73/1084546173.db2.gz GRLVWBPHWXFHLW-SJORKVTESA-N 1 0 374.412 4.163 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000173262713 1084594216 /nfs/dbraw/zinc/59/42/16/1084594216.db2.gz VYAXMYUJOAHRJV-OLZOCXBDSA-N 1 0 353.378 4.019 20 5 FIBDRO COc1cc(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000381226684 1084638047 /nfs/dbraw/zinc/63/80/47/1084638047.db2.gz XGCRAGMZDYOZJN-HOCLYGCPSA-N 1 0 373.428 4.065 20 5 FIBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000551423574 1084644697 /nfs/dbraw/zinc/64/46/97/1084644697.db2.gz MCKLWONZWYRPDG-HZPDHXFCSA-N 1 0 362.861 4.188 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)s1 ZINC000551565888 1084679903 /nfs/dbraw/zinc/67/99/03/1084679903.db2.gz XOAVVAXNHITLAS-MSOLQXFVSA-N 1 0 358.463 4.467 20 5 FIBDRO COc1cc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)ccc1OC(F)F ZINC000051472264 1084708679 /nfs/dbraw/zinc/70/86/79/1084708679.db2.gz FSUKPMXUXIMJIZ-UHFFFAOYSA-N 1 0 366.364 4.145 20 5 FIBDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1C ZINC000478486432 1084954193 /nfs/dbraw/zinc/95/41/93/1084954193.db2.gz FUGHWXOBXRTTCH-AWEZNQCLSA-N 1 0 355.438 4.027 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)C1CC1 ZINC000158328907 1085026028 /nfs/dbraw/zinc/02/60/28/1085026028.db2.gz OLQVBJVHKQSWGC-PKOBYXMFSA-N 1 0 352.434 4.072 20 5 FIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000050015609 1085042566 /nfs/dbraw/zinc/04/25/66/1085042566.db2.gz XFKOYACQONZYGK-JTQLQIEISA-N 1 0 353.191 4.347 20 5 FIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452044522 1085052695 /nfs/dbraw/zinc/05/26/95/1085052695.db2.gz JCAXLKYKWSTQGN-SISWJWMXSA-N 1 0 368.437 4.074 20 5 FIBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1ccc(C(C)(C)C)cc1)C(C)C ZINC000611662579 1085267311 /nfs/dbraw/zinc/26/73/11/1085267311.db2.gz ULHBUJFYBMNBDF-LJQANCHMSA-N 1 0 358.486 4.384 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] ZINC000479872326 1085325109 /nfs/dbraw/zinc/32/51/09/1085325109.db2.gz JFCUJDYZWIEOLA-CRAIPNDOSA-N 1 0 359.495 4.452 20 5 FIBDRO Cc1cc(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549523605 1085327291 /nfs/dbraw/zinc/32/72/91/1085327291.db2.gz BIEYNNQGPYUEIO-AWEZNQCLSA-N 1 0 371.403 4.090 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccnc(SCC)c2)cc1[N+](=O)[O-] ZINC000187794412 1085545984 /nfs/dbraw/zinc/54/59/84/1085545984.db2.gz SPKTZCGZZQPQPR-ZDUSSCGKSA-N 1 0 361.467 4.351 20 5 FIBDRO C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)[C@@H]1c1cccs1 ZINC000078338212 1085713338 /nfs/dbraw/zinc/71/33/38/1085713338.db2.gz IPYMRDOBTIYYNS-IAQYHMDHSA-N 1 0 366.874 4.200 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000178685020 1085810412 /nfs/dbraw/zinc/81/04/12/1085810412.db2.gz UAIMFBLNVHOTFZ-QWHCGFSZSA-N 1 0 361.829 4.234 20 5 FIBDRO COc1ccc2c(c1)CC[C@@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC000612419906 1085854513 /nfs/dbraw/zinc/85/45/13/1085854513.db2.gz ZSJWCIMDUBQVMW-TZIWHRDSSA-N 1 0 366.461 4.072 20 5 FIBDRO CC(C)(C)OC1CC(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000432244722 1085951304 /nfs/dbraw/zinc/95/13/04/1085951304.db2.gz DWRNSUKVWIPOCV-UHFFFAOYSA-N 1 0 372.412 4.270 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccnc(N3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000162426055 1086166555 /nfs/dbraw/zinc/16/65/55/1086166555.db2.gz SYIGDBQYLODMQL-MRXNPFEDSA-N 1 0 354.454 4.139 20 5 FIBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3ccccc3[C@@H]2C(C)C)c1 ZINC001167656646 1086311863 /nfs/dbraw/zinc/31/18/63/1086311863.db2.gz MXJYABHFCKFAGI-FQEVSTJZSA-N 1 0 368.433 4.137 20 5 FIBDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000535963204 1086414572 /nfs/dbraw/zinc/41/45/72/1086414572.db2.gz KBCCVYAFUINRKT-GOSISDBHSA-N 1 0 364.449 4.226 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1)C(C)C ZINC000110125607 1086509747 /nfs/dbraw/zinc/50/97/47/1086509747.db2.gz XYXQQRQHGVSLNZ-INIZCTEOSA-N 1 0 369.465 4.316 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+](C)C(C)(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000585754324 1086686877 /nfs/dbraw/zinc/68/68/77/1086686877.db2.gz HOSSCFWMGFXGKQ-UHFFFAOYSA-N 1 0 355.438 4.099 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000585765562 1086693157 /nfs/dbraw/zinc/69/31/57/1086693157.db2.gz RNNWBZBGSAJIKR-QFBILLFUSA-N 1 0 364.449 4.015 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000585765561 1086693380 /nfs/dbraw/zinc/69/33/80/1086693380.db2.gz RNNWBZBGSAJIKR-LPHOPBHVSA-N 1 0 364.449 4.015 20 5 FIBDRO COc1cc(C[N@H+](C)C2CCCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000585767585 1086695607 /nfs/dbraw/zinc/69/56/07/1086695607.db2.gz CWQMLFBWUDIHFR-UHFFFAOYSA-N 1 0 358.385 4.359 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1noc2ccccc12 ZINC000583510507 1086756399 /nfs/dbraw/zinc/75/63/99/1086756399.db2.gz UGYASVCPNFMVCZ-PBHICJAKSA-N 1 0 351.406 4.237 20 5 FIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2sccc2c1 ZINC000583606923 1086857240 /nfs/dbraw/zinc/85/72/40/1086857240.db2.gz WLHQGSKYKRGAGC-ZDUSSCGKSA-N 1 0 369.446 4.316 20 5 FIBDRO CC(C)([NH2+]Cc1cnc(-c2ccccn2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000084674027 1087356862 /nfs/dbraw/zinc/35/68/62/1087356862.db2.gz OGKWIPOTDQSPJL-UHFFFAOYSA-N 1 0 354.435 4.138 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@](C)(Cc1ccccc1)[C@H](C)O ZINC000480481583 1087514479 /nfs/dbraw/zinc/51/44/79/1087514479.db2.gz WCWHNEQNRMEBLL-JQQPVZIUSA-N 1 0 368.477 4.218 20 5 FIBDRO Cc1cc(NCc2cccc([N+](=O)[O-])c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000480499952 1087519903 /nfs/dbraw/zinc/51/99/03/1087519903.db2.gz NSZKGRXSWGYOPI-UHFFFAOYSA-N 1 0 368.481 4.046 20 5 FIBDRO CC(C)(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCCCC1 ZINC000409580453 1087526799 /nfs/dbraw/zinc/52/67/99/1087526799.db2.gz LWCOBWWBXSNSKM-UHFFFAOYSA-N 1 0 357.454 4.209 20 5 FIBDRO C[NH+](C)Cc1cnc(/C=C(\c2ccncc2)c2ccc([N+](=O)[O-])cc2)s1 ZINC000504710852 1087794422 /nfs/dbraw/zinc/79/44/22/1087794422.db2.gz FFZDINPHDGMVTG-WQRHYEAKSA-N 1 0 366.446 4.097 20 5 FIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180438979 1087915021 /nfs/dbraw/zinc/91/50/21/1087915021.db2.gz VKRYRLSSLXQDQI-SNVBAGLBSA-N 1 0 368.220 4.191 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(COC)c1 ZINC000504899312 1087956148 /nfs/dbraw/zinc/95/61/48/1087956148.db2.gz DQWPCLBYAIAQRZ-QGZVFWFLSA-N 1 0 360.479 4.402 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCn2cc(C)nc21 ZINC000504919527 1087971795 /nfs/dbraw/zinc/97/17/95/1087971795.db2.gz KTQIXBIINZRIJC-HOTGVXAUSA-N 1 0 374.510 4.138 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000504911610 1087980017 /nfs/dbraw/zinc/98/00/17/1087980017.db2.gz IYCYYJDZLXVUIK-AEFFLSMTSA-N 1 0 369.465 4.313 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(NC(C)=O)c1 ZINC000504917500 1087984676 /nfs/dbraw/zinc/98/46/76/1087984676.db2.gz CVXMIHLNZPENKY-INIZCTEOSA-N 1 0 373.478 4.214 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000180626998 1087992309 /nfs/dbraw/zinc/99/23/09/1087992309.db2.gz GBSREOZWCCWOHK-OAHLLOKOSA-N 1 0 362.813 4.260 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000504927865 1087994526 /nfs/dbraw/zinc/99/45/26/1087994526.db2.gz VQVSDEXVSXZEOO-DTDBQYNISA-N 1 0 364.511 4.259 20 5 FIBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000181299457 1088299101 /nfs/dbraw/zinc/29/91/01/1088299101.db2.gz VGCHRIPICCNEGE-VFNWGFHPSA-N 1 0 363.417 4.041 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OC(C)(C)C)nc2)cc1[N+](=O)[O-] ZINC000181345565 1088331514 /nfs/dbraw/zinc/33/15/14/1088331514.db2.gz DWTWOMUCJDYTCH-AWEZNQCLSA-N 1 0 373.453 4.417 20 5 FIBDRO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000513831257 1088431987 /nfs/dbraw/zinc/43/19/87/1088431987.db2.gz NHCYRIZFEPNJGG-NZODBCNPSA-N 1 0 358.482 4.099 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000311254158 1088443037 /nfs/dbraw/zinc/44/30/37/1088443037.db2.gz LMVNHFUBBYDEKT-NUEKZKHPSA-N 1 0 363.458 4.081 20 5 FIBDRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000181452205 1088606710 /nfs/dbraw/zinc/60/67/10/1088606710.db2.gz TWOMPGAMKWCOGG-XOKHGSTOSA-N 1 0 358.442 4.195 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC(c4ccncn4)CC3)o2)c1 ZINC000414470170 1088653719 /nfs/dbraw/zinc/65/37/19/1088653719.db2.gz LBKBJBITNKYJAF-UHFFFAOYSA-N 1 0 364.405 4.024 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000514094188 1088743044 /nfs/dbraw/zinc/74/30/44/1088743044.db2.gz MFLVQYAZVVVZKJ-WOGUSJMUSA-N 1 0 368.481 4.366 20 5 FIBDRO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000434622073 1088841276 /nfs/dbraw/zinc/84/12/76/1088841276.db2.gz AFBPQEPBMXXJGH-IBGZPJMESA-N 1 0 356.401 4.439 20 5 FIBDRO C[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000311853300 1088884532 /nfs/dbraw/zinc/88/45/32/1088884532.db2.gz WHHCHDLKXLQKPI-UTKZUKDTSA-N 1 0 353.466 4.158 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000415038753 1089075228 /nfs/dbraw/zinc/07/52/28/1089075228.db2.gz QDRLHNSTVHGRIO-RDTXWAMCSA-N 1 0 369.465 4.390 20 5 FIBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000425232763 1089106422 /nfs/dbraw/zinc/10/64/22/1089106422.db2.gz FTKUFENWVAURGN-CYBMUJFWSA-N 1 0 360.845 4.281 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1c1ccccc1 ZINC000435027205 1089223081 /nfs/dbraw/zinc/22/30/81/1089223081.db2.gz LKKMAZCULYHXPA-PBHICJAKSA-N 1 0 351.406 4.362 20 5 FIBDRO COc1cccc(F)c1[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000122529221 1089477707 /nfs/dbraw/zinc/47/77/07/1089477707.db2.gz MASZWZLRCGFHOV-CQSZACIVSA-N 1 0 373.428 4.062 20 5 FIBDRO Cc1cc(C[C@H](C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[nH]n1 ZINC000136794029 1089549439 /nfs/dbraw/zinc/54/94/39/1089549439.db2.gz AJRXOQKNWNBIPY-NSHDSACASA-N 1 0 374.828 4.261 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425369757 1089610821 /nfs/dbraw/zinc/61/08/21/1089610821.db2.gz HUSIXFFYJMKZGG-ZRNYNZGJSA-N 1 0 356.466 4.279 20 5 FIBDRO CC(C)CC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000472834889 1089699812 /nfs/dbraw/zinc/69/98/12/1089699812.db2.gz QFMNBKMGBREDFF-MRXNPFEDSA-N 1 0 358.442 4.436 20 5 FIBDRO Cc1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1[N+](=O)[O-] ZINC000103231868 1090072415 /nfs/dbraw/zinc/07/24/15/1090072415.db2.gz ANKDDNFQYRHOAA-KRWDZBQOSA-N 1 0 374.485 4.023 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(Br)nc2)cc1[N+](=O)[O-] ZINC000290674966 1090200172 /nfs/dbraw/zinc/20/01/72/1090200172.db2.gz LPMAGDVZURLLTP-RYUDHWBXSA-N 1 0 364.243 4.473 20 5 FIBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000072628265 1090289953 /nfs/dbraw/zinc/28/99/53/1090289953.db2.gz ILSPPBXVIMZFFF-ZDUSSCGKSA-N 1 0 363.483 4.050 20 5 FIBDRO Cc1noc(C2CCC([NH2+][C@H]3CCCCc4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000417307722 1090799935 /nfs/dbraw/zinc/79/99/35/1090799935.db2.gz GKEYFSXQXSHTHT-RJYAGPCLSA-N 1 0 370.453 4.370 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1-n1cccn1)CCCC2 ZINC000417310364 1090802143 /nfs/dbraw/zinc/80/21/43/1090802143.db2.gz LISWHNXVLFEFHZ-FQEVSTJZSA-N 1 0 362.433 4.338 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN(c3nccs3)CC1)CCCC2 ZINC000417328988 1090819897 /nfs/dbraw/zinc/81/98/97/1090819897.db2.gz JADWEGXSPRNIMM-GOSISDBHSA-N 1 0 372.494 4.077 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000566474280 1090861335 /nfs/dbraw/zinc/86/13/35/1090861335.db2.gz GFTHXYGCHWYBMQ-HNAYVOBHSA-N 1 0 371.506 4.145 20 5 FIBDRO COc1cc(NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000312672168 1091085449 /nfs/dbraw/zinc/08/54/49/1091085449.db2.gz NPCIBZVRBAXWMK-HXUWFJFHSA-N 1 0 373.428 4.067 20 5 FIBDRO CSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000500267261 1091174547 /nfs/dbraw/zinc/17/45/47/1091174547.db2.gz DNIXDLULFDQHCQ-KBPBESRZSA-N 1 0 373.478 4.303 20 5 FIBDRO CCS(=O)(=O)C1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000195164366 1091466202 /nfs/dbraw/zinc/46/62/02/1091466202.db2.gz UBTKTRIBZPTWRE-UHFFFAOYSA-N 1 0 367.514 4.392 20 5 FIBDRO C[NH+](C)Cc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000047453420 1091729989 /nfs/dbraw/zinc/72/99/89/1091729989.db2.gz JHNSWURVCUCDLW-UHFFFAOYSA-N 1 0 355.419 4.123 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000512214155 1091919357 /nfs/dbraw/zinc/91/93/57/1091919357.db2.gz UWVCQKLRDMZPRG-HNNXBMFYSA-N 1 0 366.421 4.189 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512236356 1091942344 /nfs/dbraw/zinc/94/23/44/1091942344.db2.gz HFVXGTQQCIHJFQ-AVRDEDQJSA-N 1 0 365.477 4.254 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](c2ccc(OC)c(F)c2)C1 ZINC000500512183 1092167098 /nfs/dbraw/zinc/16/70/98/1092167098.db2.gz ISMIPNKWTQOHEY-KOMQPUFPSA-N 1 0 374.412 4.177 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000500533946 1092199626 /nfs/dbraw/zinc/19/96/26/1092199626.db2.gz NOEPATVVAPSGNX-GECPCNCSSA-N 1 0 372.852 4.253 20 5 FIBDRO CC(=O)c1ccc(Nc2ccc(CC[NH+]3CCCC3)cc2)c([N+](=O)[O-])c1 ZINC000520826467 1092285679 /nfs/dbraw/zinc/28/56/79/1092285679.db2.gz VSNMJSJZSCDTMM-UHFFFAOYSA-N 1 0 353.422 4.179 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCOc2ccc(F)cc2)o1 ZINC000520951891 1092378127 /nfs/dbraw/zinc/37/81/27/1092378127.db2.gz STFIIQSFMLCHKA-UHFFFAOYSA-N 1 0 356.353 4.163 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)ccc1Oc1ccc(F)cc1 ZINC000438910582 1092537755 /nfs/dbraw/zinc/53/77/55/1092537755.db2.gz BUVGAQBBYCQPIX-MBOZVWFJSA-N 1 0 372.396 4.183 20 5 FIBDRO C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000521402647 1092682620 /nfs/dbraw/zinc/68/26/20/1092682620.db2.gz BPGLYGRVWRJMEV-HNNXBMFYSA-N 1 0 362.433 4.002 20 5 FIBDRO COc1ccc2c(c1F)CC[C@H]2[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000521502901 1092738436 /nfs/dbraw/zinc/73/84/36/1092738436.db2.gz INZIAFNNEVZUGQ-OAHLLOKOSA-N 1 0 364.804 4.216 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1ccncc1OCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000442863695 1092810839 /nfs/dbraw/zinc/81/08/39/1092810839.db2.gz ACVUEFNBXDLZMF-MRXNPFEDSA-N 1 0 365.380 4.265 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000549830076 1092857257 /nfs/dbraw/zinc/85/72/57/1092857257.db2.gz MUKXBCSGSOLMHG-KGLIPLIRSA-N 1 0 354.385 4.331 20 5 FIBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000521813563 1092927619 /nfs/dbraw/zinc/92/76/19/1092927619.db2.gz ZIZRCKPJESWDFH-JKSUJKDBSA-N 1 0 357.454 4.065 20 5 FIBDRO COc1cccc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000521816938 1092936235 /nfs/dbraw/zinc/93/62/35/1092936235.db2.gz NJYAJBLLUDPXSL-UHFFFAOYSA-N 1 0 352.390 4.196 20 5 FIBDRO C[C@H]1CCCCN1CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000521818285 1092937091 /nfs/dbraw/zinc/93/70/91/1092937091.db2.gz FBJAMZJUNJZRMF-HNNXBMFYSA-N 1 0 359.495 4.287 20 5 FIBDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)CCO2 ZINC000614160948 1093016614 /nfs/dbraw/zinc/01/66/14/1093016614.db2.gz YDHXIAUAQBGRRH-IFXJQAMLSA-N 1 0 356.422 4.476 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@H]4OCCC[C@H]34)o2)c(Cl)c1 ZINC000190340721 1093065704 /nfs/dbraw/zinc/06/57/04/1093065704.db2.gz OBUOYEMOCMXLGE-QGPMSJSTSA-N 1 0 362.813 4.165 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000433102599 1093257768 /nfs/dbraw/zinc/25/77/68/1093257768.db2.gz JEDPPGYITJSCBM-RBUKOAKNSA-N 1 0 367.493 4.422 20 5 FIBDRO C[N@@H+](Cc1cccc2ccccc21)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000051993017 1093258536 /nfs/dbraw/zinc/25/85/36/1093258536.db2.gz MZCKCJLLVWRCEZ-UHFFFAOYSA-N 1 0 364.401 4.247 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433134777 1093315807 /nfs/dbraw/zinc/31/58/07/1093315807.db2.gz LUXWDRDUZITOHA-HXUWFJFHSA-N 1 0 362.433 4.293 20 5 FIBDRO C[NH+](C)Cc1cccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433154055 1093341362 /nfs/dbraw/zinc/34/13/62/1093341362.db2.gz YNBCOFACAGLJMZ-FQEVSTJZSA-N 1 0 353.466 4.169 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c(OC)c1 ZINC000433158738 1093344970 /nfs/dbraw/zinc/34/49/70/1093344970.db2.gz QDPOPQGFNNIPIL-GOSISDBHSA-N 1 0 356.422 4.124 20 5 FIBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCO2 ZINC000433173448 1093372014 /nfs/dbraw/zinc/37/20/14/1093372014.db2.gz KEIKCDOLSRLFPG-SJCJKPOMSA-N 1 0 354.406 4.397 20 5 FIBDRO C[NH+](C)[C@H]1CCOc2c(NCc3ccc([N+](=O)[O-])cc3Cl)cccc21 ZINC000433199762 1093408646 /nfs/dbraw/zinc/40/86/46/1093408646.db2.gz DYCPOQBZIVZMIV-KRWDZBQOSA-N 1 0 361.829 4.246 20 5 FIBDRO Cn1nc(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000433239272 1093453191 /nfs/dbraw/zinc/45/31/91/1093453191.db2.gz JRTBDYVGFLYVBI-IBGZPJMESA-N 1 0 364.449 4.036 20 5 FIBDRO COCc1cc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccc1F ZINC000433259858 1093503934 /nfs/dbraw/zinc/50/39/34/1093503934.db2.gz JWLLVMDCNQFXEQ-LJQANCHMSA-N 1 0 358.413 4.393 20 5 FIBDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000512896024 1093527409 /nfs/dbraw/zinc/52/74/09/1093527409.db2.gz SPMXDPQYRLYFLV-HOCLYGCPSA-N 1 0 374.412 4.288 20 5 FIBDRO CC(C)n1cc2c(n1)C[C@@H]([NH2+][C@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CC2 ZINC000433291846 1093548649 /nfs/dbraw/zinc/54/86/49/1093548649.db2.gz XNYVWHYEWCLGJE-YWZLYKJASA-N 1 0 368.481 4.242 20 5 FIBDRO CCc1ccc([C@@H](CO)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433303332 1093559233 /nfs/dbraw/zinc/55/92/33/1093559233.db2.gz KRVKHZAIXNDVJU-WOJBJXKFSA-N 1 0 354.450 4.203 20 5 FIBDRO Cc1cc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)on1 ZINC000512983078 1093626420 /nfs/dbraw/zinc/62/64/20/1093626420.db2.gz LRVHNNJYSOCACL-UHFFFAOYSA-N 1 0 361.785 4.137 20 5 FIBDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1[N+](=O)[O-] ZINC000052611835 1093836419 /nfs/dbraw/zinc/83/64/19/1093836419.db2.gz CKQXNXPFUJSKHV-HNNXBMFYSA-N 1 0 367.405 4.124 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000513101299 1093847761 /nfs/dbraw/zinc/84/77/61/1093847761.db2.gz QFLLZWRWYSPQII-WMLDXEAASA-N 1 0 356.422 4.071 20 5 FIBDRO Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c(O[C@@H]2CCOC2)c1 ZINC000120605541 1093894423 /nfs/dbraw/zinc/89/44/23/1093894423.db2.gz CHERRLKCMBMISW-SJLPKXTDSA-N 1 0 370.449 4.230 20 5 FIBDRO O=C(NCCCCCCC[NH+]1CCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000729341743 1093967865 /nfs/dbraw/zinc/96/78/65/1093967865.db2.gz RVWCLCZFHQBQSV-UHFFFAOYSA-N 1 0 373.453 4.117 20 5 FIBDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000513277616 1094044787 /nfs/dbraw/zinc/04/47/87/1094044787.db2.gz YYEXHAKRNPKINL-AUUYWEPGSA-N 1 0 354.406 4.044 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000182643078 1094157045 /nfs/dbraw/zinc/15/70/45/1094157045.db2.gz HOOLFLGQTVNESG-AWEZNQCLSA-N 1 0 367.405 4.329 20 5 FIBDRO CC[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000513703614 1094394104 /nfs/dbraw/zinc/39/41/04/1094394104.db2.gz XXECUNHXXMRWAV-OXQOHEQNSA-N 1 0 364.449 4.201 20 5 FIBDRO O=C(CC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000500989010 1094404059 /nfs/dbraw/zinc/40/40/59/1094404059.db2.gz JVSCMJRPDACMND-MENFKHAKSA-N 1 0 365.433 4.101 20 5 FIBDRO Cc1cc(C)cc([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000501014955 1094431419 /nfs/dbraw/zinc/43/14/19/1094431419.db2.gz OMLPTIIUPSUMLO-KRWDZBQOSA-N 1 0 367.449 4.030 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000185575737 1094577996 /nfs/dbraw/zinc/57/79/96/1094577996.db2.gz PAHQHLQCHKZIDA-HNNXBMFYSA-N 1 0 364.449 4.390 20 5 FIBDRO C[C@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501845380 1094959769 /nfs/dbraw/zinc/95/97/69/1094959769.db2.gz WXJZFNOCGLKQDG-WMZOPIPTSA-N 1 0 367.449 4.192 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000501871968 1094982403 /nfs/dbraw/zinc/98/24/03/1094982403.db2.gz QDOKLXXTSQHGKU-UHFFFAOYSA-N 1 0 365.433 4.464 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1ccc(Br)cn1 ZINC000281318343 1095526788 /nfs/dbraw/zinc/52/67/88/1095526788.db2.gz ZQKMRTDGSMXQHW-VXGBXAGGSA-N 1 0 364.243 4.473 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000237265971 1095918785 /nfs/dbraw/zinc/91/87/85/1095918785.db2.gz XPCABIOUMGHBAA-NSHDSACASA-N 1 0 365.227 4.217 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CCCC2(O)CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000421861541 1095961552 /nfs/dbraw/zinc/96/15/52/1095961552.db2.gz ULQSLEPANRVRBT-IBGZPJMESA-N 1 0 358.438 4.124 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503410040 1096388863 /nfs/dbraw/zinc/38/88/63/1096388863.db2.gz YTIXCMIFVXLTMB-ORAYPTAESA-N 1 0 373.840 4.020 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000423358969 1096655794 /nfs/dbraw/zinc/65/57/94/1096655794.db2.gz UPSCBQHOUQVKEQ-SCLBCKFNSA-N 1 0 355.438 4.304 20 5 FIBDRO [NH3+]C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2ccccc2c1 ZINC000423400119 1096667261 /nfs/dbraw/zinc/66/72/61/1096667261.db2.gz PYLRTBQAFWGVOY-YADHBBJMSA-N 1 0 361.445 4.415 20 5 FIBDRO [NH3+]C[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2ccccc2c1 ZINC000423400114 1096667435 /nfs/dbraw/zinc/66/74/35/1096667435.db2.gz PYLRTBQAFWGVOY-FGZHOGPDSA-N 1 0 361.445 4.415 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000515432799 1098588752 /nfs/dbraw/zinc/58/87/52/1098588752.db2.gz JUPBOVNFWUHWAX-TZIWHRDSSA-N 1 0 364.445 4.266 20 5 FIBDRO CC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000425445792 1098662332 /nfs/dbraw/zinc/66/23/32/1098662332.db2.gz NLIPWUHBZQRKQS-CQSZACIVSA-N 1 0 371.275 4.137 20 5 FIBDRO O=[N+]([O-])c1c(NCc2cccc(C[NH+]3CCCC3)c2)ccc2ncccc21 ZINC000515545889 1098687744 /nfs/dbraw/zinc/68/77/44/1098687744.db2.gz DOJHDDVDPVQVRJ-UHFFFAOYSA-N 1 0 362.433 4.351 20 5 FIBDRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000533045249 1098709306 /nfs/dbraw/zinc/70/93/06/1098709306.db2.gz AHDKRZUZPVVBBD-AUUYWEPGSA-N 1 0 353.422 4.053 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@]3(CCSC3)C1)CCCC2 ZINC000515619459 1098768829 /nfs/dbraw/zinc/76/88/29/1098768829.db2.gz LVIKNKCGWWWEJI-KFKAGJAMSA-N 1 0 362.495 4.007 20 5 FIBDRO CC[NH+](CC)[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1ccco1 ZINC000436316560 1098922794 /nfs/dbraw/zinc/92/27/94/1098922794.db2.gz XWXDGPYYHZZJJL-CYBMUJFWSA-N 1 0 372.347 4.097 20 5 FIBDRO C[C@@H](Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000436330639 1098934327 /nfs/dbraw/zinc/93/43/27/1098934327.db2.gz MCIAMLOULOHRGQ-NEPJUHHUSA-N 1 0 372.391 4.074 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000436412448 1098995219 /nfs/dbraw/zinc/99/52/19/1098995219.db2.gz REDJRYDDCZSTMP-VIFPVBQESA-N 1 0 371.256 4.278 20 5 FIBDRO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000533387669 1099017293 /nfs/dbraw/zinc/01/72/93/1099017293.db2.gz KNSOLTPVZHAWNU-FQEVSTJZSA-N 1 0 364.449 4.251 20 5 FIBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000533517183 1099121319 /nfs/dbraw/zinc/12/13/19/1099121319.db2.gz BUZDVSJBINMVAZ-UHFFFAOYSA-N 1 0 373.884 4.345 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccncc1OC ZINC000437071911 1099590461 /nfs/dbraw/zinc/59/04/61/1099590461.db2.gz IZGUOVIVFRAJHZ-UONOGXRCSA-N 1 0 361.467 4.220 20 5 FIBDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000536669363 1100125315 /nfs/dbraw/zinc/12/53/15/1100125315.db2.gz ZKBPNTYOGLKIIA-HNNXBMFYSA-N 1 0 374.437 4.112 20 5 FIBDRO Cc1c(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)cccc1[N+](=O)[O-] ZINC000459533717 1100283958 /nfs/dbraw/zinc/28/39/58/1100283958.db2.gz PQTDGNUINSTMCW-FQEVSTJZSA-N 1 0 354.450 4.287 20 5 FIBDRO COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000536826769 1100342298 /nfs/dbraw/zinc/34/22/98/1100342298.db2.gz KLVXSXGJCPDGNJ-LSDHHAIUSA-N 1 0 358.438 4.141 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000536840473 1100351973 /nfs/dbraw/zinc/35/19/73/1100351973.db2.gz RUHQQIARBNAJCA-QQFBHYJXSA-N 1 0 362.470 4.454 20 5 FIBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1OC(F)F ZINC000536841416 1100353909 /nfs/dbraw/zinc/35/39/09/1100353909.db2.gz UKQZXSGLSYCZLI-LLVKDONJSA-N 1 0 354.328 4.229 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000536850028 1100363972 /nfs/dbraw/zinc/36/39/72/1100363972.db2.gz FDDZIHWCDXBICM-CABCVRRESA-N 1 0 350.484 4.157 20 5 FIBDRO COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000536852173 1100365358 /nfs/dbraw/zinc/36/53/58/1100365358.db2.gz MCDLOOHITZDIPQ-ZBFHGGJFSA-N 1 0 358.438 4.278 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)Cc2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000536869246 1100388263 /nfs/dbraw/zinc/38/82/63/1100388263.db2.gz JBYIGKXRHIJTOQ-GJZGRUSLSA-N 1 0 358.438 4.284 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCN(C4CCCC4)C3)s2)cc1 ZINC000518288133 1101068552 /nfs/dbraw/zinc/06/85/52/1101068552.db2.gz GSQXKFNEDBCQGY-INIZCTEOSA-N 1 0 371.506 4.430 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000426347835 1101328651 /nfs/dbraw/zinc/32/86/51/1101328651.db2.gz WLDGAWRYBGMVEF-TYILLQQXSA-N 1 0 360.479 4.270 20 5 FIBDRO CC(C)c1ccc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000439426864 1101422536 /nfs/dbraw/zinc/42/25/36/1101422536.db2.gz UEOHSUMWLNBDDU-MRXNPFEDSA-N 1 0 361.486 4.103 20 5 FIBDRO Cc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1C ZINC000537086656 1101453845 /nfs/dbraw/zinc/45/38/45/1101453845.db2.gz FQSGQUNKKLQOFN-HZPDHXFCSA-N 1 0 355.438 4.198 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2CCCc2ccccc2)c1 ZINC001168153016 1101477397 /nfs/dbraw/zinc/47/73/97/1101477397.db2.gz DGHSRYKOCJYPJT-TZIWHRDSSA-N 1 0 354.450 4.116 20 5 FIBDRO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000518771278 1101533270 /nfs/dbraw/zinc/53/32/70/1101533270.db2.gz RQBDSKYZBLMPDW-QGZVFWFLSA-N 1 0 373.428 4.100 20 5 FIBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)c1ccccc1 ZINC000537219600 1101552776 /nfs/dbraw/zinc/55/27/76/1101552776.db2.gz JXCHKVJBLWOXDY-LJQANCHMSA-N 1 0 370.449 4.307 20 5 FIBDRO Cc1ccccc1[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000537291228 1101610198 /nfs/dbraw/zinc/61/01/98/1101610198.db2.gz OBSNTELPUDBOPS-MGPUTAFESA-N 1 0 367.449 4.280 20 5 FIBDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537317372 1101650102 /nfs/dbraw/zinc/65/01/02/1101650102.db2.gz IHDNDRSUKVWION-CHWSQXEVSA-N 1 0 366.845 4.395 20 5 FIBDRO COC(=O)CCC(C)(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000547286420 1101874711 /nfs/dbraw/zinc/87/47/11/1101874711.db2.gz YCBQAHVWWRJXAM-UHFFFAOYSA-N 1 0 362.451 4.145 20 5 FIBDRO Cn1cc(C[N@H+](C)Cc2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506758273 1102025334 /nfs/dbraw/zinc/02/53/34/1102025334.db2.gz LBUYWZJFYUGESQ-UHFFFAOYSA-N 1 0 370.840 4.281 20 5 FIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000191365548 1102154972 /nfs/dbraw/zinc/15/49/72/1102154972.db2.gz ZLGCBCYZMXBUCD-UONOGXRCSA-N 1 0 367.405 4.327 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CCn2cccn2)cc1 ZINC000237773225 1102207418 /nfs/dbraw/zinc/20/74/18/1102207418.db2.gz FOMXJBVLEQIRQU-UHFFFAOYSA-N 1 0 372.812 4.027 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001168192130 1102257064 /nfs/dbraw/zinc/25/70/64/1102257064.db2.gz IDSBPNXSXASJIP-HZPDHXFCSA-N 1 0 373.884 4.343 20 5 FIBDRO CC[N@H+](Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-])C1CC1 ZINC000507234943 1102394812 /nfs/dbraw/zinc/39/48/12/1102394812.db2.gz YFXDXVSYHGMPJY-UHFFFAOYSA-N 1 0 356.422 4.167 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000550857429 1102562914 /nfs/dbraw/zinc/56/29/14/1102562914.db2.gz SCMNPPYQEWSERD-ZDUSSCGKSA-N 1 0 367.371 4.162 20 5 FIBDRO Cc1ccc([C@@H](C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)N2CCCC2)cc1 ZINC001648985527 1102577070 /nfs/dbraw/zinc/57/70/70/1102577070.db2.gz HEJHYZNHMGPGLG-JOCHJYFZSA-N 1 0 367.493 4.447 20 5 FIBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CCCc1ccccc1)c1ccccc1 ZINC000476662616 1102679546 /nfs/dbraw/zinc/67/95/46/1102679546.db2.gz FMVGFNHHUZUTDA-LJQANCHMSA-N 1 0 364.449 4.182 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cn3cccn3)cc1)CCC2 ZINC000192630722 1102727048 /nfs/dbraw/zinc/72/70/48/1102727048.db2.gz JZQIFENLRBYVRR-NRFANRHFSA-N 1 0 362.433 4.007 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1Cn1cccn1)CCC2 ZINC000192625934 1102736290 /nfs/dbraw/zinc/73/62/90/1102736290.db2.gz ZGYZZTGOUZEMHY-OAQYLSRUSA-N 1 0 362.433 4.007 20 5 FIBDRO c1ccc2c(c1)cc(-c1noc([C@@H]3C[NH2+]C[C@H]4CCO[C@@H]43)n1)c1ccccc21 ZINC001211931971 1102761153 /nfs/dbraw/zinc/76/11/53/1102761153.db2.gz PGWGJSFURVBTTD-LPTQZCDUSA-N 1 0 371.440 4.135 20 5 FIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000551052229 1102866280 /nfs/dbraw/zinc/86/62/80/1102866280.db2.gz XVFOQZLQXKNNIG-GFCCVEGCSA-N 1 0 367.268 4.238 20 5 FIBDRO C[C@H](F)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000550271074 1102900173 /nfs/dbraw/zinc/90/01/73/1102900173.db2.gz HBLBMKBIXYJCEW-JTQLQIEISA-N 1 0 371.206 4.455 20 5 FIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](c2ccccc2)C2CCC2)cccc1[N+](=O)[O-] ZINC000532701768 1102997242 /nfs/dbraw/zinc/99/72/42/1102997242.db2.gz USJQNVAFLLGYEM-FOIQADDNSA-N 1 0 367.449 4.361 20 5 FIBDRO CC(C)[N@H+](Cc1cccs1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000507006742 1103028894 /nfs/dbraw/zinc/02/88/94/1103028894.db2.gz JOUIDVSIKQCTFT-UHFFFAOYSA-N 1 0 370.478 4.467 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000532716218 1103038689 /nfs/dbraw/zinc/03/86/89/1103038689.db2.gz QBYLCOUPELTXHK-NRFANRHFSA-N 1 0 367.449 4.363 20 5 FIBDRO COc1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1SC ZINC000507168702 1103187608 /nfs/dbraw/zinc/18/76/08/1103187608.db2.gz FQFPRPFDDMGOPX-UHFFFAOYSA-N 1 0 358.463 4.490 20 5 FIBDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000507196539 1103196267 /nfs/dbraw/zinc/19/62/67/1103196267.db2.gz NDBOZXMZMMBKPB-UHFFFAOYSA-N 1 0 351.406 4.314 20 5 FIBDRO CC[N@H+](Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000507225216 1103227807 /nfs/dbraw/zinc/22/78/07/1103227807.db2.gz BYDHKCMBTHITHC-UHFFFAOYSA-N 1 0 356.422 4.167 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2OC)cc1[N+](=O)[O-] ZINC000152633968 1103248175 /nfs/dbraw/zinc/24/81/75/1103248175.db2.gz USYDLLVJXZKYFB-KBPBESRZSA-N 1 0 374.437 4.423 20 5 FIBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000477434471 1103512254 /nfs/dbraw/zinc/51/22/54/1103512254.db2.gz CYYLXGQZBTWEJD-UHFFFAOYSA-N 1 0 366.339 4.271 20 5 FIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)c1 ZINC000427532782 1103646841 /nfs/dbraw/zinc/64/68/41/1103646841.db2.gz BVJBPVQNFVGNGK-INIZCTEOSA-N 1 0 365.355 4.218 20 5 FIBDRO CN(C(=O)C[NH2+]C1(c2ccccc2)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000477634491 1103760599 /nfs/dbraw/zinc/76/05/99/1103760599.db2.gz JRDOYLCOLNQDCA-UHFFFAOYSA-N 1 0 367.449 4.007 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000441322692 1104277521 /nfs/dbraw/zinc/27/75/21/1104277521.db2.gz KQYVJQCHEACHLK-IBGZPJMESA-N 1 0 355.438 4.007 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000441322693 1104277856 /nfs/dbraw/zinc/27/78/56/1104277856.db2.gz KQYVJQCHEACHLK-LJQANCHMSA-N 1 0 355.438 4.007 20 5 FIBDRO CN(C)C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000579251588 1104331368 /nfs/dbraw/zinc/33/13/68/1104331368.db2.gz BRFHVIJNDITIEL-ROUUACIJSA-N 1 0 359.857 4.128 20 5 FIBDRO O=C(C[C@@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000441404132 1104345882 /nfs/dbraw/zinc/34/58/82/1104345882.db2.gz MTKANUQVUDULMW-HNNXBMFYSA-N 1 0 360.360 4.110 20 5 FIBDRO Cc1ccc(C)c([C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@H](C)CO2)c1 ZINC000441448595 1104740107 /nfs/dbraw/zinc/74/01/07/1104740107.db2.gz LEQZFFCOXSUFMX-DYESRHJHSA-N 1 0 354.450 4.216 20 5 FIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000438560425 1104854269 /nfs/dbraw/zinc/85/42/69/1104854269.db2.gz GCWJUHDCEPMISY-UHFFFAOYSA-N 1 0 373.478 4.063 20 5 FIBDRO C[C@]1(O)CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000450958328 1106843260 /nfs/dbraw/zinc/84/32/60/1106843260.db2.gz MVSKJDFDIGYJGA-JLSDUUJJSA-N 1 0 352.862 4.154 20 5 FIBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]2CCCC[C@@H]12 ZINC000543906030 1106847722 /nfs/dbraw/zinc/84/77/22/1106847722.db2.gz QRAAUPGEECQNQG-JLSDUUJJSA-N 1 0 355.438 4.303 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000451112283 1106926508 /nfs/dbraw/zinc/92/65/08/1106926508.db2.gz IFPOZQSBFMENAU-AWEZNQCLSA-N 1 0 353.422 4.070 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000451101971 1106931419 /nfs/dbraw/zinc/93/14/19/1106931419.db2.gz GPUOMLNMQBXKKI-JJRVBVJISA-N 1 0 373.478 4.059 20 5 FIBDRO CCC(=O)Nc1cccc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000530326466 1106969464 /nfs/dbraw/zinc/96/94/64/1106969464.db2.gz QUNCAWCVXOFZBO-GDNBJRDFSA-N 1 0 353.422 4.136 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000451358070 1107051502 /nfs/dbraw/zinc/05/15/02/1107051502.db2.gz ZQLCWKXOLAVBEB-OIISXLGYSA-N 1 0 372.387 4.129 20 5 FIBDRO O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543509 1107161871 /nfs/dbraw/zinc/16/18/71/1107161871.db2.gz CDRBMOIWSXVWGV-QGZVFWFLSA-N 1 0 363.417 4.228 20 5 FIBDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000530728440 1107290906 /nfs/dbraw/zinc/29/09/06/1107290906.db2.gz LZHNHVJMTFEFME-KGLIPLIRSA-N 1 0 359.401 4.029 20 5 FIBDRO O=[N+]([O-])c1cc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cs1 ZINC000530865477 1107370402 /nfs/dbraw/zinc/37/04/02/1107370402.db2.gz SJTHQJMETZOOSV-FQEVSTJZSA-N 1 0 371.506 4.144 20 5 FIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000452078964 1107460600 /nfs/dbraw/zinc/46/06/00/1107460600.db2.gz MPQJEPUSCJAMJK-UONOGXRCSA-N 1 0 358.442 4.464 20 5 FIBDRO C[C@H](N[C@@H](C)c1c(F)cccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000531204614 1107645297 /nfs/dbraw/zinc/64/52/97/1107645297.db2.gz ZMUTWKOGKXEYMU-QWRGUYRKSA-N 1 0 365.792 4.065 20 5 FIBDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000531204158 1107646484 /nfs/dbraw/zinc/64/64/84/1107646484.db2.gz CJWGIIGLDXJTBS-CVEARBPZSA-N 1 0 355.438 4.198 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](CO)c2ccccc2)s1 ZINC000531389555 1107843759 /nfs/dbraw/zinc/84/37/59/1107843759.db2.gz YBRXYSVYKGDSLK-INIZCTEOSA-N 1 0 368.458 4.189 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000520208398 1108022093 /nfs/dbraw/zinc/02/20/93/1108022093.db2.gz RGSFAONKLHBWJT-MRXNPFEDSA-N 1 0 357.454 4.209 20 5 FIBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc2c(c1)CCCC2 ZINC000444687545 1108090073 /nfs/dbraw/zinc/09/00/73/1108090073.db2.gz GTHJDEQTNNHTAY-CYBMUJFWSA-N 1 0 350.422 4.201 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000531759012 1108128006 /nfs/dbraw/zinc/12/80/06/1108128006.db2.gz AZTIBNRWNRROLQ-AWEZNQCLSA-N 1 0 372.421 4.055 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCCC(F)(F)C3)cs2)c1 ZINC000531759877 1108148007 /nfs/dbraw/zinc/14/80/07/1108148007.db2.gz XYAHKWQECVGERR-GFCCVEGCSA-N 1 0 353.394 4.386 20 5 FIBDRO C[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[N@H+](C)C1CC1 ZINC000237579873 1108176217 /nfs/dbraw/zinc/17/62/17/1108176217.db2.gz DCQZYIFEQXKKLH-GFCCVEGCSA-N 1 0 363.845 4.081 20 5 FIBDRO NC(=O)c1ccc(CN2CCCC[C@H]2c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000444808152 1108182560 /nfs/dbraw/zinc/18/25/60/1108182560.db2.gz ZJRGJEKQMVGMQK-KRWDZBQOSA-N 1 0 373.840 4.074 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)CCC2 ZINC000453278151 1108353071 /nfs/dbraw/zinc/35/30/71/1108353071.db2.gz BXRUZRLDUKSRHI-HNNXBMFYSA-N 1 0 351.328 4.176 20 5 FIBDRO C[C@@H]([NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000453279425 1108354801 /nfs/dbraw/zinc/35/48/01/1108354801.db2.gz IUVCYMNBXQDFDT-PXAZEXFGSA-N 1 0 368.355 4.388 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(CCc3ccc(O)cc3)CC2)cc1 ZINC000523701375 1108452392 /nfs/dbraw/zinc/45/23/92/1108452392.db2.gz KOVNWFBPUXKDMU-UHFFFAOYSA-N 1 0 354.450 4.188 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)C1CC1 ZINC000453436811 1108528442 /nfs/dbraw/zinc/52/84/42/1108528442.db2.gz UYJDZOOXVUILAE-ZHALLVOQSA-N 1 0 372.490 4.487 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)ccc1OC(F)F ZINC000532200706 1108705763 /nfs/dbraw/zinc/70/57/63/1108705763.db2.gz PSVHPYXHBMMTEV-GFCCVEGCSA-N 1 0 366.364 4.364 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCCc4cn[nH]c43)s2)cc1 ZINC000532209297 1108712652 /nfs/dbraw/zinc/71/26/52/1108712652.db2.gz QHWPWCWJWRUVMP-MRXNPFEDSA-N 1 0 354.435 4.214 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](c1c(F)cccc1F)N(C)C ZINC000532222260 1108721886 /nfs/dbraw/zinc/72/18/86/1108721886.db2.gz HCQBABULQQCXAR-SCLBCKFNSA-N 1 0 363.408 4.135 20 5 FIBDRO COc1ccc(CN2CCS[C@@H](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000524037094 1108767993 /nfs/dbraw/zinc/76/79/93/1108767993.db2.gz UHLYSHINKSFVQG-IFXJQAMLSA-N 1 0 358.463 4.282 20 5 FIBDRO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@H](O)C(F)(F)F ZINC000428424269 1109059647 /nfs/dbraw/zinc/05/96/47/1109059647.db2.gz XCLVQWIISMYCMP-HNNXBMFYSA-N 1 0 374.384 4.068 20 5 FIBDRO O=C(C[NH2+][C@H]1CCC[C@@H]1c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000446003474 1109077612 /nfs/dbraw/zinc/07/76/12/1109077612.db2.gz JXTDIVOBIFUERO-CVEARBPZSA-N 1 0 373.840 4.113 20 5 FIBDRO C[C@@H](CCO)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000525194982 1109298760 /nfs/dbraw/zinc/29/87/60/1109298760.db2.gz XPGLEKHUWWNWRB-ZDUSSCGKSA-N 1 0 364.829 4.149 20 5 FIBDRO C[C@H](CCO)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000525708353 1109487876 /nfs/dbraw/zinc/48/78/76/1109487876.db2.gz IULVLTJDJLMDLS-CYBMUJFWSA-N 1 0 364.829 4.149 20 5 FIBDRO CC1(C)[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]2CCCO[C@H]21 ZINC000525709615 1109488086 /nfs/dbraw/zinc/48/80/86/1109488086.db2.gz UKOMACRUWAGVLA-GVDBMIGSSA-N 1 0 373.478 4.012 20 5 FIBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000441264268 1109549370 /nfs/dbraw/zinc/54/93/70/1109549370.db2.gz XUGQOIKOLFFAHQ-SFHVURJKSA-N 1 0 356.422 4.128 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1cc2ccccc2s1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000525951938 1109562314 /nfs/dbraw/zinc/56/23/14/1109562314.db2.gz SJXQEZBZFIAXAM-STQMWFEESA-N 1 0 369.446 4.487 20 5 FIBDRO CN(C)[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC000447513424 1109566527 /nfs/dbraw/zinc/56/65/27/1109566527.db2.gz WAVCHSWXXWKPEE-PMACEKPBSA-N 1 0 357.429 4.004 20 5 FIBDRO CN(C)[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC000447513427 1109566663 /nfs/dbraw/zinc/56/66/63/1109566663.db2.gz WAVCHSWXXWKPEE-WOJBJXKFSA-N 1 0 357.429 4.004 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCn1cnc3ccccc31)CCC2 ZINC000447514412 1109567155 /nfs/dbraw/zinc/56/71/55/1109567155.db2.gz DYLJLYWBGIIHDN-SFHVURJKSA-N 1 0 350.422 4.002 20 5 FIBDRO COc1ccccc1O[C@H](C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447531692 1109568980 /nfs/dbraw/zinc/56/89/80/1109568980.db2.gz SMPKVGZZYBHOSL-KDOFPFPSSA-N 1 0 356.422 4.038 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(-c3ccccc3)o2)n1 ZINC000447564579 1109583502 /nfs/dbraw/zinc/58/35/02/1109583502.db2.gz XWRWELNJWJMSQA-ROUUACIJSA-N 1 0 366.421 4.325 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCSc3ccccc32)n1 ZINC000447585482 1109587518 /nfs/dbraw/zinc/58/75/18/1109587518.db2.gz JFHLDSDYWIDYIV-HRCADAONSA-N 1 0 358.467 4.102 20 5 FIBDRO CC(C)c1ccccc1OCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447588947 1109588388 /nfs/dbraw/zinc/58/83/88/1109588388.db2.gz VYINYQKQRHVBIO-MSOLQXFVSA-N 1 0 372.469 4.067 20 5 FIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000447857799 1109660931 /nfs/dbraw/zinc/66/09/31/1109660931.db2.gz YYXBWJKICMUZNO-UHFFFAOYSA-N 1 0 350.422 4.097 20 5 FIBDRO C[N@H+](CCc1ccccn1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000527108332 1109694487 /nfs/dbraw/zinc/69/44/87/1109694487.db2.gz YOHDKGVSLKYSID-UHFFFAOYSA-N 1 0 353.447 4.393 20 5 FIBDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449085888 1109971056 /nfs/dbraw/zinc/97/10/56/1109971056.db2.gz PLXQQQBSASPSNG-HOTGVXAUSA-N 1 0 369.465 4.300 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000449072489 1109972877 /nfs/dbraw/zinc/97/28/77/1109972877.db2.gz PTVVHUMQNCQYAC-GJZGRUSLSA-N 1 0 367.449 4.225 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)c1 ZINC000449097743 1109975881 /nfs/dbraw/zinc/97/58/81/1109975881.db2.gz MYLBJSWOSOQYJP-HNNXBMFYSA-N 1 0 365.202 4.274 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000449108634 1109977581 /nfs/dbraw/zinc/97/75/81/1109977581.db2.gz VEMSXDWLQKDVSP-DLBZAZTESA-N 1 0 373.522 4.089 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000449136115 1109982752 /nfs/dbraw/zinc/98/27/52/1109982752.db2.gz UIMVLZNJEFQNJN-AWEZNQCLSA-N 1 0 369.396 4.152 20 5 FIBDRO COc1cc(F)c([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000449142384 1109984397 /nfs/dbraw/zinc/98/43/97/1109984397.db2.gz NZTPDMRLMUOAOL-CHWSQXEVSA-N 1 0 362.401 4.033 20 5 FIBDRO COc1c(Br)cccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449348637 1110036809 /nfs/dbraw/zinc/03/68/09/1110036809.db2.gz MMMQBZQBMZTHDH-NSHDSACASA-N 1 0 365.227 4.217 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000449439907 1110080409 /nfs/dbraw/zinc/08/04/09/1110080409.db2.gz XCWUBZPIOZDDMO-KRWDZBQOSA-N 1 0 368.355 4.135 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000449771542 1110166090 /nfs/dbraw/zinc/16/60/90/1110166090.db2.gz YPLHRPWYJADCAS-BHSUKZTGSA-N 1 0 358.463 4.163 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000449771562 1110166226 /nfs/dbraw/zinc/16/62/26/1110166226.db2.gz YPLHRPWYJADCAS-JGIVAVPZSA-N 1 0 358.463 4.163 20 5 FIBDRO COC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(C)C ZINC000538401526 1111116828 /nfs/dbraw/zinc/11/68/28/1111116828.db2.gz IIISFTYUDGVBGO-MRXNPFEDSA-N 1 0 352.818 4.269 20 5 FIBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000538727238 1111264628 /nfs/dbraw/zinc/26/46/28/1111264628.db2.gz BOIOMEAJFAEFDL-YOEHRIQHSA-N 1 0 374.412 4.262 20 5 FIBDRO COC[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000538731045 1111268369 /nfs/dbraw/zinc/26/83/69/1111268369.db2.gz RBFNADOEHQIYBL-INIZCTEOSA-N 1 0 374.412 4.385 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H](C4CCOCC4)C3)o2)c1 ZINC000538750084 1111280816 /nfs/dbraw/zinc/28/08/16/1111280816.db2.gz ZBYBNBGRVVBZGK-QGZVFWFLSA-N 1 0 356.422 4.103 20 5 FIBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000538752183 1111282124 /nfs/dbraw/zinc/28/21/24/1111282124.db2.gz OMOXXDVATVQJSP-KRWDZBQOSA-N 1 0 369.465 4.019 20 5 FIBDRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)n1 ZINC000539051194 1111401053 /nfs/dbraw/zinc/40/10/53/1111401053.db2.gz ZNBBFTKXXPEWIO-WBVHZDCISA-N 1 0 364.449 4.371 20 5 FIBDRO CSCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539062306 1111408258 /nfs/dbraw/zinc/40/82/58/1111408258.db2.gz XIWTXFXILBQDSP-STQMWFEESA-N 1 0 366.508 4.088 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(O)CCCCC3)o2)c(Cl)c1 ZINC000238143813 1111420048 /nfs/dbraw/zinc/42/00/48/1111420048.db2.gz DMDIUBATNVBMQB-UHFFFAOYSA-N 1 0 364.829 4.293 20 5 FIBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000461967247 1111444885 /nfs/dbraw/zinc/44/48/85/1111444885.db2.gz QGVYYZZKPLVJNQ-ZDUSSCGKSA-N 1 0 359.392 4.090 20 5 FIBDRO CCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000539253079 1111486848 /nfs/dbraw/zinc/48/68/48/1111486848.db2.gz BMQLDWJAUULMCB-OAHLLOKOSA-N 1 0 357.241 4.229 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000539376235 1111535677 /nfs/dbraw/zinc/53/56/77/1111535677.db2.gz CBKYGYDXQHXCEP-HNNXBMFYSA-N 1 0 363.417 4.346 20 5 FIBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000552875480 1111841200 /nfs/dbraw/zinc/84/12/00/1111841200.db2.gz VSCVCXQQDJEUQG-SJKOYZFVSA-N 1 0 364.829 4.413 20 5 FIBDRO C[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)[N@@H+]1CCCC[C@H]1C ZINC000478641290 1111842399 /nfs/dbraw/zinc/84/23/99/1111842399.db2.gz CPELUVHRISAHTG-SJORKVTESA-N 1 0 361.489 4.381 20 5 FIBDRO CC(=O)c1cc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000553076521 1111903098 /nfs/dbraw/zinc/90/30/98/1111903098.db2.gz PQBWISONBPABDB-IFXJQAMLSA-N 1 0 373.478 4.354 20 5 FIBDRO CC1(C[NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000479416563 1112020213 /nfs/dbraw/zinc/02/02/13/1112020213.db2.gz NQSBPBBMTFTSKX-QGZVFWFLSA-N 1 0 373.840 4.318 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)Cc2ccccc2)s1 ZINC000479443591 1112025207 /nfs/dbraw/zinc/02/52/07/1112025207.db2.gz YZWQAUYWAHYGPD-MRXNPFEDSA-N 1 0 368.458 4.017 20 5 FIBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1C[NH+]1CCCCCC1 ZINC000480020477 1112240047 /nfs/dbraw/zinc/24/00/47/1112240047.db2.gz NZHZGIZQOPYKGG-UHFFFAOYSA-N 1 0 371.485 4.108 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@](C)(Cc1ccccc1)[C@@H](C)O ZINC000480481586 1112441302 /nfs/dbraw/zinc/44/13/02/1112441302.db2.gz WCWHNEQNRMEBLL-ZIZHVNKESA-N 1 0 368.477 4.218 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000481286268 1112858617 /nfs/dbraw/zinc/85/86/17/1112858617.db2.gz OLTQEGIRDRDKLU-HXUWFJFHSA-N 1 0 367.449 4.363 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000600185332 1112919151 /nfs/dbraw/zinc/91/91/51/1112919151.db2.gz LAGWPRDIWCEAST-XNTDXEJSSA-N 1 0 366.465 4.144 20 5 FIBDRO CC(C)(C)c1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000482637260 1113316858 /nfs/dbraw/zinc/31/68/58/1113316858.db2.gz NJDIQPVHSHTYGS-UHFFFAOYSA-N 1 0 373.497 4.029 20 5 FIBDRO CC[C@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000483162501 1113459128 /nfs/dbraw/zinc/45/91/28/1113459128.db2.gz XTLARZQIBUGDSB-ROUUACIJSA-N 1 0 363.408 4.217 20 5 FIBDRO CCC[C@](C)(O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000489101197 1114049558 /nfs/dbraw/zinc/04/95/58/1114049558.db2.gz RVRVZXLGVIYXBU-FQEVSTJZSA-N 1 0 357.454 4.003 20 5 FIBDRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)cc1 ZINC000490039206 1114206684 /nfs/dbraw/zinc/20/66/84/1114206684.db2.gz JBTIZPKKAHKUIU-AEFFLSMTSA-N 1 0 367.449 4.028 20 5 FIBDRO CCN(Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490430388 1114290124 /nfs/dbraw/zinc/29/01/24/1114290124.db2.gz HPUIATFMGSLJNC-SFHVURJKSA-N 1 0 371.456 4.078 20 5 FIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCc1ccc(F)cc1 ZINC000055023320 1114412084 /nfs/dbraw/zinc/41/20/84/1114412084.db2.gz OPQSPASLHUXEGT-CYBMUJFWSA-N 1 0 370.384 4.019 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000571780193 1114537159 /nfs/dbraw/zinc/53/71/59/1114537159.db2.gz POPOAOVBEGUKNG-OAHLLOKOSA-N 1 0 351.353 4.222 20 5 FIBDRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000056170586 1114639895 /nfs/dbraw/zinc/63/98/95/1114639895.db2.gz NAIJKNKOOHDOKR-CABCVRRESA-N 1 0 371.437 4.060 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCc4c3cc(F)cc4F)c2c1 ZINC000588959455 1114681328 /nfs/dbraw/zinc/68/13/28/1114681328.db2.gz AEYWXWNNXPQAIK-LJQANCHMSA-N 1 0 357.360 4.174 20 5 FIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000589810978 1114845596 /nfs/dbraw/zinc/84/55/96/1114845596.db2.gz XAYLZBRMQMHJLE-UHFFFAOYSA-N 1 0 367.449 4.008 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3COc4ccccc43)o2)cc1 ZINC000573595646 1115145416 /nfs/dbraw/zinc/14/54/16/1115145416.db2.gz AETKMCMHZDDSSC-OAHLLOKOSA-N 1 0 350.374 4.121 20 5 FIBDRO CC[C@@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000760904473 1115168268 /nfs/dbraw/zinc/16/82/68/1115168268.db2.gz BSXDXBQKMFATCM-VEDCXYSMSA-N 1 0 354.450 4.466 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C2CCC(O)(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000760904461 1115168407 /nfs/dbraw/zinc/16/84/07/1115168407.db2.gz BIZBOTCRRBIUBF-SRWJYRBRSA-N 1 0 354.450 4.384 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000760906550 1115169662 /nfs/dbraw/zinc/16/96/62/1115169662.db2.gz IZUMNMOFMYRGEA-RYHLMMNBSA-N 1 0 368.477 4.336 20 5 FIBDRO CC(C)CC1CC[NH+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000760921771 1115200146 /nfs/dbraw/zinc/20/01/46/1115200146.db2.gz SFUSEURSNBIVCI-CQSZACIVSA-N 1 0 358.442 4.464 20 5 FIBDRO Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(OC[C@@H]2CCOC2)c1 ZINC000167160527 1115211633 /nfs/dbraw/zinc/21/16/33/1115211633.db2.gz KUYKPAAQACHGDU-IAGOWNOFSA-N 1 0 370.449 4.169 20 5 FIBDRO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000592153480 1115215924 /nfs/dbraw/zinc/21/59/24/1115215924.db2.gz DLFIUUOOFVGEJJ-WBVHZDCISA-N 1 0 370.453 4.293 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592527437 1115240935 /nfs/dbraw/zinc/24/09/35/1115240935.db2.gz GUGOUXDTHGTGJT-FQEVSTJZSA-N 1 0 352.434 4.063 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CC=CC2)cc1[N+](=O)[O-] ZINC000592530814 1115241014 /nfs/dbraw/zinc/24/10/14/1115241014.db2.gz VKCJWFBTUHUWMK-FQEVSTJZSA-N 1 0 352.434 4.063 20 5 FIBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2cccc(C3CC3)c2)c1 ZINC000593032109 1115280330 /nfs/dbraw/zinc/28/03/30/1115280330.db2.gz UDIMIVNBBQHSLT-CYBMUJFWSA-N 1 0 354.406 4.110 20 5 FIBDRO CC1(C)C[C@H]([NH2+][C@@H](CCO)c2ccccc2F)c2cc([N+](=O)[O-])ccc21 ZINC000592401779 1115303935 /nfs/dbraw/zinc/30/39/35/1115303935.db2.gz COWQLRYRFVWNFV-OALUTQOASA-N 1 0 358.413 4.170 20 5 FIBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000593830805 1115352153 /nfs/dbraw/zinc/35/21/53/1115352153.db2.gz LIHUYESOOBWSID-GOSISDBHSA-N 1 0 359.473 4.088 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC001168404382 1115434632 /nfs/dbraw/zinc/43/46/32/1115434632.db2.gz SUOHCYMFPYJIHW-DFBGVHRSSA-N 1 0 353.260 4.368 20 5 FIBDRO COC[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000594969049 1115499001 /nfs/dbraw/zinc/49/90/01/1115499001.db2.gz LVKDQDDQFPMQFV-LJQANCHMSA-N 1 0 358.438 4.204 20 5 FIBDRO Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000594983646 1115505665 /nfs/dbraw/zinc/50/56/65/1115505665.db2.gz HKEHPIWWXMDQJW-UHFFFAOYSA-N 1 0 368.462 4.224 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3CCC(O)CC3)o2)c(Cl)c1 ZINC000594992881 1115505955 /nfs/dbraw/zinc/50/59/55/1115505955.db2.gz ZSCKEGGBOVDQHL-UHFFFAOYSA-N 1 0 364.829 4.149 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccccc1COC(C)C ZINC000595005194 1115507599 /nfs/dbraw/zinc/50/75/99/1115507599.db2.gz DTIGOUZQNGFRTC-OAHLLOKOSA-N 1 0 358.438 4.379 20 5 FIBDRO CCC[C@H]([NH2+][C@H](COC)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000595069818 1115509905 /nfs/dbraw/zinc/50/99/05/1115509905.db2.gz SIVWGSMYXCRURN-VQTJNVASSA-N 1 0 358.438 4.422 20 5 FIBDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000595031315 1115510114 /nfs/dbraw/zinc/51/01/14/1115510114.db2.gz CKXIKMCSYPTGFT-JOQOYGCGSA-N 1 0 350.459 4.238 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCN(C)c2ccccc21 ZINC000595052636 1115512629 /nfs/dbraw/zinc/51/26/29/1115512629.db2.gz SIAIBJTXRBUTKA-KSSFIOAISA-N 1 0 355.438 4.225 20 5 FIBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C(C)(C)c2ccc(Cl)cc2)c1 ZINC000593016655 1115537282 /nfs/dbraw/zinc/53/72/82/1115537282.db2.gz VEYKBCXLVDUTQE-UHFFFAOYSA-N 1 0 362.813 4.060 20 5 FIBDRO Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575195317 1115547562 /nfs/dbraw/zinc/54/75/62/1115547562.db2.gz HCYUKRFRFQRLHG-KRWDZBQOSA-N 1 0 373.840 4.162 20 5 FIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C2CCC2)CC1 ZINC000595661057 1115555273 /nfs/dbraw/zinc/55/52/73/1115555273.db2.gz XBAHOOZGNIPHRO-ZDUSSCGKSA-N 1 0 356.426 4.218 20 5 FIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000595838765 1115563940 /nfs/dbraw/zinc/56/39/40/1115563940.db2.gz WATDTMOTTAKMJM-BBRMVZONSA-N 1 0 356.426 4.218 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)C1CC1 ZINC000596117434 1115574914 /nfs/dbraw/zinc/57/49/14/1115574914.db2.gz GEUSGVWMPJUESR-MRXNPFEDSA-N 1 0 365.355 4.120 20 5 FIBDRO C[C@H](O)C1([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000597235287 1115649939 /nfs/dbraw/zinc/64/99/39/1115649939.db2.gz XJICBIDEUKMXOL-LBPRGKRZSA-N 1 0 362.813 4.044 20 5 FIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)C1 ZINC000060548160 1115663392 /nfs/dbraw/zinc/66/33/92/1115663392.db2.gz ZBVRFXPBHCGWLK-CYBMUJFWSA-N 1 0 359.451 4.141 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)ccc1Cl ZINC000761249155 1115702040 /nfs/dbraw/zinc/70/20/40/1115702040.db2.gz HLPSZYVWWXVMGT-GOSISDBHSA-N 1 0 360.841 4.120 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1)c1cccc([N+](=O)[O-])c1 ZINC000598955563 1115773034 /nfs/dbraw/zinc/77/30/34/1115773034.db2.gz OZSWGXVESWEGOK-LBPRGKRZSA-N 1 0 362.451 4.462 20 5 FIBDRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000599036780 1115780664 /nfs/dbraw/zinc/78/06/64/1115780664.db2.gz UYQKTAYQVAYXEK-SNVBAGLBSA-N 1 0 373.762 4.383 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](OC)c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000599054595 1115786160 /nfs/dbraw/zinc/78/61/60/1115786160.db2.gz CHOMWDXTUUVHHY-VLIAUNLRSA-N 1 0 374.437 4.040 20 5 FIBDRO C[C@@H](Nc1ccc2cnccc2c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000599066953 1115786578 /nfs/dbraw/zinc/78/65/78/1115786578.db2.gz VJVNNASEMWZBHB-GDBMZVCRSA-N 1 0 354.454 4.208 20 5 FIBDRO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000593685010 1115792285 /nfs/dbraw/zinc/79/22/85/1115792285.db2.gz BECHTUNPLVYYHX-RBUKOAKNSA-N 1 0 368.433 4.255 20 5 FIBDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000593685002 1115792539 /nfs/dbraw/zinc/79/25/39/1115792539.db2.gz BECHTUNPLVYYHX-MOPGFXCFSA-N 1 0 368.433 4.255 20 5 FIBDRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000593689963 1115796792 /nfs/dbraw/zinc/79/67/92/1115796792.db2.gz KENXHICCHRXVTE-RTBURBONSA-N 1 0 368.433 4.255 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)c3ccccc3)o2)c(Cl)c1 ZINC000171048808 1115825830 /nfs/dbraw/zinc/82/58/30/1115825830.db2.gz ITXLIMYXSFAGEN-GOSISDBHSA-N 1 0 372.808 4.331 20 5 FIBDRO Cc1cc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000604028380 1115843630 /nfs/dbraw/zinc/84/36/30/1115843630.db2.gz ZTEFDLPDUMGHOO-UHFFFAOYSA-N 1 0 367.449 4.184 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+]C2(c3ccc(F)cc3)CCC2)cccc1[N+](=O)[O-] ZINC000604564419 1115869039 /nfs/dbraw/zinc/86/90/39/1115869039.db2.gz CRRJQMANFBHNEK-UHFFFAOYSA-N 1 0 371.412 4.040 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCCCc2ccccc2)c1 ZINC000604532244 1115869176 /nfs/dbraw/zinc/86/91/76/1115869176.db2.gz PQIGEUNFKKFAFO-UHFFFAOYSA-N 1 0 350.365 4.309 20 5 FIBDRO CCN(CC)[C@@H](C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccco1 ZINC000604532595 1115869300 /nfs/dbraw/zinc/86/93/00/1115869300.db2.gz AFPNGXDOUGPWPT-IBGZPJMESA-N 1 0 359.470 4.484 20 5 FIBDRO CCN(CC)[C@H](C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccco1 ZINC000604532596 1115869399 /nfs/dbraw/zinc/86/93/99/1115869399.db2.gz AFPNGXDOUGPWPT-LJQANCHMSA-N 1 0 359.470 4.484 20 5 FIBDRO CC[C@@H](C)[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000061759903 1115872684 /nfs/dbraw/zinc/87/26/84/1115872684.db2.gz NNLFIXHQDJZQLU-OAHLLOKOSA-N 1 0 356.422 4.262 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)C2CCC(F)(F)CC2)cccc1[N+](=O)[O-] ZINC000594044389 1115977729 /nfs/dbraw/zinc/97/77/29/1115977729.db2.gz PJKCZBQAXDOKIJ-OLZOCXBDSA-N 1 0 369.412 4.034 20 5 FIBDRO C[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)[N@@H+]1CCC[C@H](C)C1 ZINC000063749515 1116105441 /nfs/dbraw/zinc/10/54/41/1116105441.db2.gz VJAGHZJMENWWTM-DLBZAZTESA-N 1 0 361.489 4.238 20 5 FIBDRO Cc1cccc(OCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000608982590 1116139561 /nfs/dbraw/zinc/13/95/61/1116139561.db2.gz VBAMVKXEBDRQCM-UHFFFAOYSA-N 1 0 352.390 4.332 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[N@H+](Cc2ccco2)Cc2ccc(O)cc2)cc1 ZINC000609029985 1116141639 /nfs/dbraw/zinc/14/16/39/1116141639.db2.gz YPRIDLZOCKJFQI-UHFFFAOYSA-N 1 0 352.390 4.138 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCCn2cnc3ccccc32)cc1[N+](=O)[O-] ZINC000152651685 1116158806 /nfs/dbraw/zinc/15/88/06/1116158806.db2.gz UEYNAZFBBGASHP-OAHLLOKOSA-N 1 0 368.437 4.084 20 5 FIBDRO CC[C@@H](CCO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000152654961 1116159183 /nfs/dbraw/zinc/15/91/83/1116159183.db2.gz LCNCSYYQVPNXHV-LBPRGKRZSA-N 1 0 352.818 4.006 20 5 FIBDRO CC[NH+](CC)CC1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000534145339 1116162225 /nfs/dbraw/zinc/16/22/25/1116162225.db2.gz SJHPHPPSYTULFT-UHFFFAOYSA-N 1 0 368.481 4.215 20 5 FIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456287121 1116174319 /nfs/dbraw/zinc/17/43/19/1116174319.db2.gz VTJVXHIYLIWURW-SFHVURJKSA-N 1 0 367.449 4.321 20 5 FIBDRO COc1ccc(OCC[NH2+][C@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000442897646 1116329130 /nfs/dbraw/zinc/32/91/30/1116329130.db2.gz YMVJOQCSGZXAKD-CYBMUJFWSA-N 1 0 356.378 4.079 20 5 FIBDRO C[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000539545885 1116341877 /nfs/dbraw/zinc/34/18/77/1116341877.db2.gz SSNURSJIVCYCHU-QWHCGFSZSA-N 1 0 364.829 4.413 20 5 FIBDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)cc1OC ZINC000152885693 1116377315 /nfs/dbraw/zinc/37/73/15/1116377315.db2.gz NRRHRLPVBAHMLQ-CQSZACIVSA-N 1 0 374.437 4.252 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2noc3ccccc23)cc1[N+](=O)[O-] ZINC000595049824 1116382783 /nfs/dbraw/zinc/38/27/83/1116382783.db2.gz PBHZVXVYRYOCCZ-ZDUSSCGKSA-N 1 0 355.394 4.028 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000539834441 1116388705 /nfs/dbraw/zinc/38/87/05/1116388705.db2.gz CGNIQVYUEJOFGS-DYESRHJHSA-N 1 0 352.434 4.242 20 5 FIBDRO Cc1cccc(O[C@@H](C)C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000462733226 1117740815 /nfs/dbraw/zinc/74/08/15/1117740815.db2.gz HJPBZMWRUDNIKV-ZDUSSCGKSA-N 1 0 366.364 4.062 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CC[N@H+](CC3CCCC3)C2)o1 ZINC000462735484 1117741810 /nfs/dbraw/zinc/74/18/10/1117741810.db2.gz BKBVWUDKFFVVFW-KRWDZBQOSA-N 1 0 369.465 4.209 20 5 FIBDRO COC(C)(C)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000539928302 1117752537 /nfs/dbraw/zinc/75/25/37/1117752537.db2.gz WWBFSLYMOAYMER-UHFFFAOYSA-N 1 0 352.818 4.365 20 5 FIBDRO COc1cc(NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000462790567 1117774295 /nfs/dbraw/zinc/77/42/95/1117774295.db2.gz OJKRJVDEUBUTLW-MRXNPFEDSA-N 1 0 369.465 4.447 20 5 FIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000539992829 1117790436 /nfs/dbraw/zinc/79/04/36/1117790436.db2.gz HGXXDADKQXZLID-VNHYZAJKSA-N 1 0 369.412 4.038 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000462963710 1117884661 /nfs/dbraw/zinc/88/46/61/1117884661.db2.gz ICLVBSRVAFZHSS-MLGOLLRUSA-N 1 0 362.376 4.308 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(SC)c1 ZINC000540137144 1117900925 /nfs/dbraw/zinc/90/09/25/1117900925.db2.gz LJPQFQBBJQZFNO-AWEZNQCLSA-N 1 0 363.508 4.372 20 5 FIBDRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 ZINC000540153844 1117907543 /nfs/dbraw/zinc/90/75/43/1117907543.db2.gz JWWMPDDZFZMCCU-RDJZCZTQSA-N 1 0 364.449 4.371 20 5 FIBDRO CCC[C@H]([NH2+]CC(=O)N(CC)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540170274 1117912862 /nfs/dbraw/zinc/91/28/62/1117912862.db2.gz OJODPFXWAUOWKD-FQEVSTJZSA-N 1 0 369.465 4.074 20 5 FIBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(SC)c(F)c2)cc1[N+](=O)[O-] ZINC000540173477 1117914740 /nfs/dbraw/zinc/91/47/40/1117914740.db2.gz GKOIJIXKHDJUJE-LLVKDONJSA-N 1 0 350.415 4.315 20 5 FIBDRO Cc1cnc(NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c([N+](=O)[O-])c1 ZINC000463053065 1117942050 /nfs/dbraw/zinc/94/20/50/1117942050.db2.gz IFXFFVSSUWPXLG-UHFFFAOYSA-N 1 0 354.454 4.142 20 5 FIBDRO O=C(C[NH2+][C@@H]1CCCCC12CCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000463427170 1118151359 /nfs/dbraw/zinc/15/13/59/1118151359.db2.gz ANUJKAVDWGNSEN-MRXNPFEDSA-N 1 0 365.861 4.279 20 5 FIBDRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000540621377 1118156190 /nfs/dbraw/zinc/15/61/90/1118156190.db2.gz YHXNVOJLCFCMPI-SECBINFHSA-N 1 0 373.247 4.279 20 5 FIBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC(F)F)cc1 ZINC000122440314 1118530964 /nfs/dbraw/zinc/53/09/64/1118530964.db2.gz YCAYCSDWWUPDKN-INIZCTEOSA-N 1 0 366.364 4.446 20 5 FIBDRO CC(C)C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccs1 ZINC000541626507 1118586934 /nfs/dbraw/zinc/58/69/34/1118586934.db2.gz LFCBVDHLZXHNLP-DLBZAZTESA-N 1 0 373.478 4.139 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCC3(C2)CCCCCC3)c2c(c1)COCO2 ZINC000464763540 1118685561 /nfs/dbraw/zinc/68/55/61/1118685561.db2.gz BSBIRKSITQYZHL-UHFFFAOYSA-N 1 0 360.454 4.398 20 5 FIBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C)C[C@@H]2c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000464841788 1118718043 /nfs/dbraw/zinc/71/80/43/1118718043.db2.gz XZHYATMQYGIAAY-WMLDXEAASA-N 1 0 374.437 4.357 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000464857600 1118726184 /nfs/dbraw/zinc/72/61/84/1118726184.db2.gz KRAXZGGXAPBMOK-RDTXWAMCSA-N 1 0 371.437 4.298 20 5 FIBDRO C[C@]1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO[C@@H]1C1CC1 ZINC000542313681 1118898560 /nfs/dbraw/zinc/89/85/60/1118898560.db2.gz CXWUYBHNOOUATE-MOPGFXCFSA-N 1 0 358.463 4.371 20 5 FIBDRO Cc1ccc(Sc2ccc(C[N@H+](C)CC3CC(O)C3)cc2[N+](=O)[O-])cc1 ZINC000443849474 1118993380 /nfs/dbraw/zinc/99/33/80/1118993380.db2.gz DMTSYTSYBZHUHT-UHFFFAOYSA-N 1 0 372.490 4.257 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000153128665 1119000632 /nfs/dbraw/zinc/00/06/32/1119000632.db2.gz IADHNXDJJKHNOT-INIZCTEOSA-N 1 0 369.465 4.313 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CC[C@H](CO)CC3)o2)c(Cl)c1 ZINC000153128290 1119006364 /nfs/dbraw/zinc/00/63/64/1119006364.db2.gz WSZXZYQUYWJBFW-BETUJISGSA-N 1 0 364.829 4.149 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CCCc3sc(Cl)cc32)cc1[N+](=O)[O-] ZINC000492331790 1119071159 /nfs/dbraw/zinc/07/11/59/1119071159.db2.gz FKDJECVNFPZSEC-GFCCVEGCSA-N 1 0 352.843 4.486 20 5 FIBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccco1 ZINC000443949273 1119110158 /nfs/dbraw/zinc/11/01/58/1119110158.db2.gz SCPUDGAUBQWGJJ-MRXNPFEDSA-N 1 0 374.441 4.009 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2ccnc2)cc1[N+](=O)[O-] ZINC000153168174 1119130510 /nfs/dbraw/zinc/13/05/10/1119130510.db2.gz KPZZTTAYQQMKDY-HNNXBMFYSA-N 1 0 366.421 4.030 20 5 FIBDRO CCOc1cc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000492610549 1119145702 /nfs/dbraw/zinc/14/57/02/1119145702.db2.gz XBGFUHACCWZFRE-UHFFFAOYSA-N 1 0 350.365 4.297 20 5 FIBDRO CCOc1cc(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-] ZINC000492719125 1119171610 /nfs/dbraw/zinc/17/16/10/1119171610.db2.gz DHDURPCTXVYMGC-GFCCVEGCSA-N 1 0 366.364 4.446 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000492781538 1119187528 /nfs/dbraw/zinc/18/75/28/1119187528.db2.gz DBBGNRQGOQQYQT-SGTLLEGYSA-N 1 0 364.829 4.123 20 5 FIBDRO COc1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)ccc1OC(C)C ZINC000493008314 1119241751 /nfs/dbraw/zinc/24/17/51/1119241751.db2.gz KPCYNVDXMDQHGP-AWEZNQCLSA-N 1 0 374.437 4.250 20 5 FIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761507054 1119402987 /nfs/dbraw/zinc/40/29/87/1119402987.db2.gz SPEVNLIDPAOMRD-FMKPAKJESA-N 1 0 351.878 4.085 20 5 FIBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000761512876 1119405903 /nfs/dbraw/zinc/40/59/03/1119405903.db2.gz YWUWQRXCGVMUAN-IAOVAPTHSA-N 1 0 352.862 4.274 20 5 FIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761526570 1119409862 /nfs/dbraw/zinc/40/98/62/1119409862.db2.gz OWFKQDGSUPXMCJ-HNAYVOBHSA-N 1 0 373.884 4.248 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cc1Cl ZINC000761535845 1119414387 /nfs/dbraw/zinc/41/43/87/1119414387.db2.gz ZWVISJFEWRZLEN-IBGZPJMESA-N 1 0 360.841 4.021 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](O)c2ccsc2)s1 ZINC000152514431 1119433106 /nfs/dbraw/zinc/43/31/06/1119433106.db2.gz QMPCPFSQWAXYKI-INIZCTEOSA-N 1 0 360.460 4.208 20 5 FIBDRO Cc1sc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000031619698 1119516628 /nfs/dbraw/zinc/51/66/28/1119516628.db2.gz XGGJVVVDKKYHNE-UHFFFAOYSA-N 1 0 359.451 4.203 20 5 FIBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000031621152 1119516680 /nfs/dbraw/zinc/51/66/80/1119516680.db2.gz SITMDRJUJYUGDT-UHFFFAOYSA-N 1 0 373.840 4.486 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CCOC3(CCC3)C2)c2ccccc2)c1 ZINC000494012611 1119524858 /nfs/dbraw/zinc/52/48/58/1119524858.db2.gz QVVBUPUWADBNCL-AZUAARDMSA-N 1 0 352.434 4.376 20 5 FIBDRO CCc1ccc([C@H](NCCC[N@H+](C)C(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542476243 1119573506 /nfs/dbraw/zinc/57/35/06/1119573506.db2.gz CVWRLSRDRQSKSS-HXUWFJFHSA-N 1 0 359.470 4.160 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCc2ccccn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542479978 1119822512 /nfs/dbraw/zinc/82/25/12/1119822512.db2.gz ZIYSPLHUIDGBRW-HXUWFJFHSA-N 1 0 351.406 4.067 20 5 FIBDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494519557 1119886852 /nfs/dbraw/zinc/88/68/52/1119886852.db2.gz BRIZONRODYCQQP-SJCJKPOMSA-N 1 0 368.355 4.479 20 5 FIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000494956279 1120394148 /nfs/dbraw/zinc/39/41/48/1120394148.db2.gz UCGDFBYMFMCUAM-HNAYVOBHSA-N 1 0 358.413 4.034 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCc2cnc(C3CC3)nc2)c2ccccc2)c1 ZINC000494987268 1120411457 /nfs/dbraw/zinc/41/14/57/1120411457.db2.gz IRRHDKHZGRYBKU-OAQYLSRUSA-N 1 0 374.444 4.184 20 5 FIBDRO COc1ccc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000495414437 1120798396 /nfs/dbraw/zinc/79/83/96/1120798396.db2.gz IEOJZKKGXMEMOY-LLVKDONJSA-N 1 0 352.793 4.289 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)c(F)c1 ZINC000089513374 1120898981 /nfs/dbraw/zinc/89/89/81/1120898981.db2.gz PYMISCZVAWFDQA-SNVBAGLBSA-N 1 0 353.191 4.347 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000762562072 1120928667 /nfs/dbraw/zinc/92/86/67/1120928667.db2.gz XNCNLZFCAHITHI-UHFFFAOYSA-N 1 0 351.450 4.087 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1[N+](=O)[O-] ZINC000762614131 1120939451 /nfs/dbraw/zinc/93/94/51/1120939451.db2.gz JMDXUFQIEUZBIQ-OIISXLGYSA-N 1 0 352.525 4.187 20 5 FIBDRO C[C@H]1C[C@H]1C[NH+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000915634778 1121012472 /nfs/dbraw/zinc/01/24/72/1121012472.db2.gz NMDBCWKTGTYDET-YOEHRIQHSA-N 1 0 355.394 4.161 20 5 FIBDRO Cc1cc(NC2CC[NH+](C(C)(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301095260 1121032325 /nfs/dbraw/zinc/03/23/25/1121032325.db2.gz IRTWCLCBSLSNGW-UHFFFAOYSA-N 1 0 369.469 4.035 20 5 FIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H](c2ccccc2)c2cncnc2)cc1 ZINC000542667133 1121166908 /nfs/dbraw/zinc/16/69/08/1121166908.db2.gz XJQUOUXTFSPILF-OAQYLSRUSA-N 1 0 362.433 4.087 20 5 FIBDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301166328 1121564112 /nfs/dbraw/zinc/56/41/12/1121564112.db2.gz UYNKWTCBUQPQJC-UHFFFAOYSA-N 1 0 357.429 4.082 20 5 FIBDRO Cc1ccc(C[NH+]2CCC3(CC2)OCCc2ccsc23)cc1[N+](=O)[O-] ZINC000497136223 1121845184 /nfs/dbraw/zinc/84/51/84/1121845184.db2.gz ZZSWXNKLDJKXJR-UHFFFAOYSA-N 1 0 358.463 4.029 20 5 FIBDRO C[C@H]1C[C@H](N(C)c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000301452186 1122030251 /nfs/dbraw/zinc/03/02/51/1122030251.db2.gz XQNMYBPHNVFKEA-VHSXEESVSA-N 1 0 365.783 4.186 20 5 FIBDRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000553421968 1122093699 /nfs/dbraw/zinc/09/36/99/1122093699.db2.gz NSWIDMFGTGFRTE-CYBMUJFWSA-N 1 0 369.446 4.145 20 5 FIBDRO C[C@](O)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1Cl ZINC000765813233 1122101745 /nfs/dbraw/zinc/10/17/45/1122101745.db2.gz ZVAFMHFMBXOVFC-ICSRJNTNSA-N 1 0 374.868 4.067 20 5 FIBDRO CC(=O)c1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000553487233 1122132516 /nfs/dbraw/zinc/13/25/16/1122132516.db2.gz OWWMOURIQCTZPW-YWZLYKJASA-N 1 0 367.449 4.120 20 5 FIBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301465700 1122137930 /nfs/dbraw/zinc/13/79/30/1122137930.db2.gz XEFQSIULPONIKZ-SNVBAGLBSA-N 1 0 365.783 4.045 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000765820476 1122158628 /nfs/dbraw/zinc/15/86/28/1122158628.db2.gz YDFWNGGLDMWYJN-AUUYWEPGSA-N 1 0 362.857 4.067 20 5 FIBDRO COc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301520574 1122199132 /nfs/dbraw/zinc/19/91/32/1122199132.db2.gz FIYQJCWRHSELJA-QAPCUYQASA-N 1 0 355.438 4.068 20 5 FIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000301522389 1122199580 /nfs/dbraw/zinc/19/95/80/1122199580.db2.gz HJBMEIQIMUWRRU-UHFFFAOYSA-N 1 0 357.376 4.433 20 5 FIBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000301531111 1122207830 /nfs/dbraw/zinc/20/78/30/1122207830.db2.gz PKFMYJRSDJHXLT-HNNXBMFYSA-N 1 0 365.430 4.053 20 5 FIBDRO O=[N+]([O-])c1ccc(NC2CCC([NH+]3CCCCC3)CC2)cc1OC(F)F ZINC000301547117 1122218263 /nfs/dbraw/zinc/21/82/63/1122218263.db2.gz PIUNUVLZTIVJRG-UHFFFAOYSA-N 1 0 369.412 4.405 20 5 FIBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@@H](C)c3ccncc3)o2)c([N+](=O)[O-])c1 ZINC000542693426 1122289931 /nfs/dbraw/zinc/28/99/31/1122289931.db2.gz ZMXJHMVIWSAISU-AWEZNQCLSA-N 1 0 367.405 4.451 20 5 FIBDRO C[NH+](C)Cc1cccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000497938719 1122481759 /nfs/dbraw/zinc/48/17/59/1122481759.db2.gz MSKSGPTXOMWRRL-UHFFFAOYSA-N 1 0 355.438 4.206 20 5 FIBDRO C[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000237538577 1123101518 /nfs/dbraw/zinc/10/15/18/1123101518.db2.gz QOBBJNRDNFQZPX-YJBOKZPZSA-N 1 0 373.884 4.391 20 5 FIBDRO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556873494 1123156287 /nfs/dbraw/zinc/15/62/87/1123156287.db2.gz YIZAKOAUQLHNEW-SZVBFZGTSA-N 1 0 356.470 4.222 20 5 FIBDRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609442643 1123713814 /nfs/dbraw/zinc/71/38/14/1123713814.db2.gz OOANRSWILHIPHD-UHFFFAOYSA-N 1 0 371.412 4.362 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCOc3ccc(F)cc3)cs2)c1 ZINC000609598459 1123769743 /nfs/dbraw/zinc/76/97/43/1123769743.db2.gz LNJXXUBVFVQASF-UHFFFAOYSA-N 1 0 373.409 4.026 20 5 FIBDRO Cc1ccnc(NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000609669706 1123789435 /nfs/dbraw/zinc/78/94/35/1123789435.db2.gz WHJZBKFMPDDSIA-OAHLLOKOSA-N 1 0 354.454 4.142 20 5 FIBDRO Cc1ccnc(NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000609669446 1123789687 /nfs/dbraw/zinc/78/96/87/1123789687.db2.gz JVSDCQNCDQXLOX-OAHLLOKOSA-N 1 0 360.483 4.245 20 5 FIBDRO Cc1c(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000610004682 1123914933 /nfs/dbraw/zinc/91/49/33/1123914933.db2.gz XJUFFZOTWCDQBA-QGZVFWFLSA-N 1 0 356.397 4.137 20 5 FIBDRO Cc1ccc(OCC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000237790776 1124079783 /nfs/dbraw/zinc/07/97/83/1124079783.db2.gz MVCTUMAZKWPSKR-UHFFFAOYSA-N 1 0 369.446 4.195 20 5 FIBDRO CCOC(=O)CC[C@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000615834554 1124127827 /nfs/dbraw/zinc/12/78/27/1124127827.db2.gz ODFUOJQMOZWTMX-TXQCQQFXSA-N 1 0 360.454 4.053 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273476873 1124149340 /nfs/dbraw/zinc/14/93/40/1124149340.db2.gz KIFYGWKZNQGYCV-JXHQFBSOSA-N 1 0 356.397 4.257 20 5 FIBDRO Cn1cc(C[NH2+]CC(C)(C)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237905970 1124157954 /nfs/dbraw/zinc/15/79/54/1124157954.db2.gz VERXCHJCDVCWTQ-UHFFFAOYSA-N 1 0 364.449 4.063 20 5 FIBDRO CC(C)[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccnn1C ZINC000615943189 1124171343 /nfs/dbraw/zinc/17/13/43/1124171343.db2.gz WVORQZKMBCLSFY-SFHVURJKSA-N 1 0 368.437 4.118 20 5 FIBDRO CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765850319 1124202376 /nfs/dbraw/zinc/20/23/76/1124202376.db2.gz XKCMGZREZRACIS-AUUYWEPGSA-N 1 0 360.479 4.480 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)s2)cc1 ZINC000238002499 1124224755 /nfs/dbraw/zinc/22/47/55/1124224755.db2.gz MUYFYBFKIXWKPT-UHFFFAOYSA-N 1 0 368.414 4.342 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCN4CCCC[C@@H]34)s2)cc1 ZINC000238003396 1124224930 /nfs/dbraw/zinc/22/49/30/1124224930.db2.gz GSGRQPUHVODOTB-MSOLQXFVSA-N 1 0 357.479 4.040 20 5 FIBDRO CC[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180422490 1124321264 /nfs/dbraw/zinc/32/12/64/1124321264.db2.gz HHZGQNKRTUUFGV-IBGZPJMESA-N 1 0 350.422 4.236 20 5 FIBDRO CC(C)Oc1ccc([C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000554372091 1124337225 /nfs/dbraw/zinc/33/72/25/1124337225.db2.gz GTYMCIAPWCCHIR-KKSFZXQISA-N 1 0 371.481 4.336 20 5 FIBDRO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000153863417 1124745671 /nfs/dbraw/zinc/74/56/71/1124745671.db2.gz LRNJIXHAUDWVFE-KGLIPLIRSA-N 1 0 356.422 4.168 20 5 FIBDRO O=[N+]([O-])c1ccc(NCc2cccc(Cn3ccnc3)c2)cc1OC(F)F ZINC000462932219 1124769221 /nfs/dbraw/zinc/76/92/21/1124769221.db2.gz ZJTXVXYIZDZTHN-UHFFFAOYSA-N 1 0 374.347 4.053 20 5 FIBDRO C[NH+](C)[C@H](CNc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000069447552 1124884708 /nfs/dbraw/zinc/88/47/08/1124884708.db2.gz DKERSHRGYLMLAJ-MRXNPFEDSA-N 1 0 364.243 4.072 20 5 FIBDRO C[NH+](C)[C@@H](CNc1ccc(Br)cc1[N+](=O)[O-])c1cccs1 ZINC000069447637 1124884913 /nfs/dbraw/zinc/88/49/13/1124884913.db2.gz MEUPXGLDWMIPSX-ZDUSSCGKSA-N 1 0 370.272 4.134 20 5 FIBDRO Cc1c(C[NH2+][C@@H](CC(=O)OC(C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000181838707 1125154164 /nfs/dbraw/zinc/15/41/64/1125154164.db2.gz FOJMLHHJUQQOBQ-SFHVURJKSA-N 1 0 356.422 4.076 20 5 FIBDRO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)c2c1 ZINC000618568154 1125207784 /nfs/dbraw/zinc/20/77/84/1125207784.db2.gz PGXVLPDRFFZGSB-HXUWFJFHSA-N 1 0 365.433 4.294 20 5 FIBDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571698 1125212095 /nfs/dbraw/zinc/21/20/95/1125212095.db2.gz MPIMOGADCQUZBI-ROUUACIJSA-N 1 0 354.406 4.094 20 5 FIBDRO COc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571699 1125212348 /nfs/dbraw/zinc/21/23/48/1125212348.db2.gz MPIMOGADCQUZBI-ZWKOTPCHSA-N 1 0 354.406 4.094 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C(F)(F)F ZINC000301776736 1125255002 /nfs/dbraw/zinc/25/50/02/1125255002.db2.gz LLQAUAVFXAEFDR-MLGOLLRUSA-N 1 0 369.387 4.067 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000182163697 1125268838 /nfs/dbraw/zinc/26/88/38/1125268838.db2.gz LIHFXQFIHKUBMH-OYYNGEPBSA-N 1 0 362.376 4.362 20 5 FIBDRO O=[N+]([O-])c1cc(CNCc2c(Cl)n[nH]c2C2CC2)cc(C(F)(F)F)c1 ZINC000922067815 1125281067 /nfs/dbraw/zinc/28/10/67/1125281067.db2.gz JUVYSPKEXROHSL-UHFFFAOYSA-N 1 0 374.750 4.157 20 5 FIBDRO COc1nc(C)cc(C)c1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618983922 1125408591 /nfs/dbraw/zinc/40/85/91/1125408591.db2.gz XAJXNUGZCOSMBS-SFHVURJKSA-N 1 0 355.438 4.127 20 5 FIBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000618984258 1125411609 /nfs/dbraw/zinc/41/16/09/1125411609.db2.gz IHOWVLUIZGUCGI-ADLMAVQZSA-N 1 0 366.421 4.250 20 5 FIBDRO CC(C)(C)OC(=O)CCCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618988483 1125423371 /nfs/dbraw/zinc/42/33/71/1125423371.db2.gz UHAJEABLJVXXKC-QGZVFWFLSA-N 1 0 362.470 4.419 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(c2ccc(F)cc2F)CCOCC1 ZINC000255464981 1125425804 /nfs/dbraw/zinc/42/58/04/1125425804.db2.gz QZABJWPXKQIHNF-HYXAFXHYSA-N 1 0 374.387 4.182 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)c2c(c1)COCO2 ZINC000065951678 1125436000 /nfs/dbraw/zinc/43/60/00/1125436000.db2.gz JFVXQSFVJPGFJW-FQEVSTJZSA-N 1 0 366.417 4.113 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000619054850 1125438701 /nfs/dbraw/zinc/43/87/01/1125438701.db2.gz QHGBZZPKARETJW-OAHLLOKOSA-N 1 0 354.454 4.068 20 5 FIBDRO O=[N+]([O-])c1cccc2c(NC[C@H]3CC[N@H+](Cc4ccccc4)C3)ccnc21 ZINC000312697206 1125454289 /nfs/dbraw/zinc/45/42/89/1125454289.db2.gz RDDXIHDLYNNGBE-QGZVFWFLSA-N 1 0 362.433 4.077 20 5 FIBDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000109102600 206046741 /nfs/dbraw/zinc/04/67/41/206046741.db2.gz LPRPWUWTAUQKLC-FQEVSTJZSA-N 1 0 367.449 4.377 20 5 FIBDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000481387435 567876710 /nfs/dbraw/zinc/87/67/10/567876710.db2.gz BSRJNFDSDMZGLX-APPDUMDISA-N 1 0 352.793 4.253 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868712 567906313 /nfs/dbraw/zinc/90/63/13/567906313.db2.gz FHGGGQCDIFMKFL-HKUYNNGSSA-N 1 0 353.466 4.110 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OC ZINC000568543351 568048783 /nfs/dbraw/zinc/04/87/83/568048783.db2.gz QULULNCYXKVHPB-SCWSEQNSSA-N 1 0 370.449 4.044 20 5 FIBDRO CCSCC[C@@H](C)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000072901557 568056830 /nfs/dbraw/zinc/05/68/30/568056830.db2.gz XWGJWSKPPQLTII-CQSZACIVSA-N 1 0 363.483 4.256 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481715108 568093845 /nfs/dbraw/zinc/09/38/45/568093845.db2.gz WRFMFPATUWFOEK-IIBYNOLFSA-N 1 0 352.434 4.486 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCc3sc(Cl)cc32)n1 ZINC000568757857 568181886 /nfs/dbraw/zinc/18/18/86/568181886.db2.gz HNHAGFIDWRJBOL-YNEHKIRRSA-N 1 0 366.874 4.267 20 5 FIBDRO CC[C@@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000482046067 568238372 /nfs/dbraw/zinc/23/83/72/568238372.db2.gz SITSVONCVBMHCT-HXUWFJFHSA-N 1 0 350.422 4.064 20 5 FIBDRO CCOCC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236906490 568248080 /nfs/dbraw/zinc/24/80/80/568248080.db2.gz IQOGJDIBAWMFCY-UHFFFAOYSA-N 1 0 350.802 4.167 20 5 FIBDRO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2c(C)n[nH]c2C)cc1[N+](=O)[O-] ZINC000568918233 568252078 /nfs/dbraw/zinc/25/20/78/568252078.db2.gz WJNXOBRQBMHHRR-INIZCTEOSA-N 1 0 358.442 4.061 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000568933740 568253555 /nfs/dbraw/zinc/25/35/55/568253555.db2.gz RJUIENSMWASPLR-ATTAVLDOSA-N 1 0 364.445 4.113 20 5 FIBDRO O=C(CC[N@@H+]1CC2(CCC2)[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000453029733 568255068 /nfs/dbraw/zinc/25/50/68/568255068.db2.gz XUVGUOYASGMEGA-FQEVSTJZSA-N 1 0 365.433 4.151 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)C)cc1 ZINC000568969187 568258616 /nfs/dbraw/zinc/25/86/16/568258616.db2.gz DXSSXVGHUKLJEQ-NRFANRHFSA-N 1 0 369.465 4.473 20 5 FIBDRO COc1cc(C[NH2+]C2(CF)CCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000568999386 568265989 /nfs/dbraw/zinc/26/59/89/568265989.db2.gz FMKJEDAYIKDZKG-UHFFFAOYSA-N 1 0 374.412 4.164 20 5 FIBDRO Cc1ccccc1C[C@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000569072542 568270532 /nfs/dbraw/zinc/27/05/32/568270532.db2.gz CARPSGBYEOJLFO-KRWDZBQOSA-N 1 0 369.465 4.103 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604520784 568308006 /nfs/dbraw/zinc/30/80/06/568308006.db2.gz PTIRUKPDJCIWLV-UWJYYQICSA-N 1 0 370.449 4.203 20 5 FIBDRO COc1ccc([C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C2CC2)cc1 ZINC000569647491 568411340 /nfs/dbraw/zinc/41/13/40/568411340.db2.gz OBXBXZGTQOHSJD-NRFANRHFSA-N 1 0 365.433 4.368 20 5 FIBDRO O=C(CC[NH2+]Cc1csc([N+](=O)[O-])c1)Nc1cc(Cl)cc(Cl)c1 ZINC000569950266 568444095 /nfs/dbraw/zinc/44/40/95/568444095.db2.gz RPQTYPWVUXCOFN-UHFFFAOYSA-N 1 0 374.249 4.082 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CC(c4cccc(F)c4)C3)c2c1 ZINC000570848951 568545563 /nfs/dbraw/zinc/54/55/63/568545563.db2.gz GQVIHBPELXBMAC-UHFFFAOYSA-N 1 0 353.397 4.294 20 5 FIBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000312778837 1125488788 /nfs/dbraw/zinc/48/87/88/1125488788.db2.gz YRDFBCCANIHKPO-SFHVURJKSA-N 1 0 371.456 4.126 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000619531692 1125608656 /nfs/dbraw/zinc/60/86/56/1125608656.db2.gz YCDREHZXFAZCGT-HNNXBMFYSA-N 1 0 367.405 4.124 20 5 FIBDRO O=C(Nc1ccccc1Nc1cc[nH+]cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000619581857 1125623781 /nfs/dbraw/zinc/62/37/81/1125623781.db2.gz SIQHWRZKPLCPHY-UHFFFAOYSA-N 1 0 368.780 4.061 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000619722717 1125668284 /nfs/dbraw/zinc/66/82/84/1125668284.db2.gz UZGNKHJUQRPEIQ-HOTGVXAUSA-N 1 0 354.454 4.068 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000619722860 1125669481 /nfs/dbraw/zinc/66/94/81/1125669481.db2.gz HVUWWALHSVRWKM-HNNXBMFYSA-N 1 0 374.872 4.161 20 5 FIBDRO Clc1ccc2ccc3ccc(-n4ccnc4[C@@H]4CCC[NH2+]C4)nc3c2n1 ZINC001167056820 1079764446 /nfs/dbraw/zinc/76/44/46/1079764446.db2.gz PTJIPIFKFPIGOL-OAHLLOKOSA-N 1 0 363.852 4.089 20 5 FIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000134464261 1080239675 /nfs/dbraw/zinc/23/96/75/1080239675.db2.gz PRVWHCBVQRLAGJ-GFCCVEGCSA-N 1 0 371.384 4.450 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(O[C@H]2CCOC2)c1 ZINC000120604010 1080314712 /nfs/dbraw/zinc/31/47/12/1080314712.db2.gz CMCNYHPUPKRGPM-LPHOPBHVSA-N 1 0 370.449 4.230 20 5 FIBDRO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001167094641 1080340974 /nfs/dbraw/zinc/34/09/74/1080340974.db2.gz XHLAHNRZUKPINI-MRXNPFEDSA-N 1 0 360.841 4.464 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC001167267824 1080934761 /nfs/dbraw/zinc/93/47/61/1080934761.db2.gz LENKEHMQCALVOC-UHFFFAOYSA-N 1 0 365.433 4.464 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(CN3CCSC[C@@H]3c3ccccc3)nc2c1 ZINC000083174601 1081286234 /nfs/dbraw/zinc/28/62/34/1081286234.db2.gz APEDALNHFJRFNO-MRXNPFEDSA-N 1 0 355.419 4.026 20 5 FIBDRO Cc1c(C[NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)cccc1[N+](=O)[O-] ZINC001648882419 1081343085 /nfs/dbraw/zinc/34/30/85/1081343085.db2.gz NIKLPUQVKJTUBB-UHFFFAOYSA-N 1 0 367.449 4.322 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1ccc(C(C)C)cc1 ZINC000610390889 1081718024 /nfs/dbraw/zinc/71/80/24/1081718024.db2.gz NTQPBLGSDMWRTI-UHFFFAOYSA-N 1 0 369.465 4.490 20 5 FIBDRO Cc1ccccc1C1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000572855950 1081742611 /nfs/dbraw/zinc/74/26/11/1081742611.db2.gz SKJQOOUQYDXWJP-HXUWFJFHSA-N 1 0 366.461 4.229 20 5 FIBDRO C[C@H]1[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC12CCOCC2 ZINC000580290953 1081802565 /nfs/dbraw/zinc/80/25/65/1081802565.db2.gz UFDUWNWDOSHJFQ-GFCCVEGCSA-N 1 0 358.360 4.005 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1)c1cccc([N+](=O)[O-])c1 ZINC000610420488 1081840178 /nfs/dbraw/zinc/84/01/78/1081840178.db2.gz VMMMYOZPSCLVQA-HNAYVOBHSA-N 1 0 374.444 4.260 20 5 FIBDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420501 1081840541 /nfs/dbraw/zinc/84/05/41/1081840541.db2.gz ZXVAMPVKAJDUGW-GJZGRUSLSA-N 1 0 359.857 4.425 20 5 FIBDRO CC[NH+](CC)Cc1ccc(CNc2ncnc3sc([N+](=O)[O-])cc32)cc1 ZINC000561104892 1081936177 /nfs/dbraw/zinc/93/61/77/1081936177.db2.gz ASNRCJXOPUAPGS-UHFFFAOYSA-N 1 0 371.466 4.053 20 5 FIBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000119291975 1082097744 /nfs/dbraw/zinc/09/77/44/1082097744.db2.gz BZVLWOFJSAXDBO-CYBMUJFWSA-N 1 0 360.845 4.281 20 5 FIBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccco1 ZINC000579878570 1082149587 /nfs/dbraw/zinc/14/95/87/1082149587.db2.gz PKUKECLQJFMLKZ-RHSMWYFYSA-N 1 0 373.453 4.170 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000156704159 1082239818 /nfs/dbraw/zinc/23/98/18/1082239818.db2.gz DOEIDHMYHMVCBO-CVEARBPZSA-N 1 0 367.449 4.442 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000156716634 1082241076 /nfs/dbraw/zinc/24/10/76/1082241076.db2.gz TWEHYHWBPHUPOC-HOTGVXAUSA-N 1 0 367.449 4.442 20 5 FIBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001167464446 1082593333 /nfs/dbraw/zinc/59/33/33/1082593333.db2.gz MAFZDWSPNGDUFQ-GVDBMIGSSA-N 1 0 367.449 4.108 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000175910879 1082704571 /nfs/dbraw/zinc/70/45/71/1082704571.db2.gz GGJXWJLSDJASDK-UWVAXJGDSA-N 1 0 353.466 4.299 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510473142 1082966592 /nfs/dbraw/zinc/96/65/92/1082966592.db2.gz PSOOYRPPTNTGGI-QAPCUYQASA-N 1 0 350.422 4.261 20 5 FIBDRO CCC[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178233251 1083000690 /nfs/dbraw/zinc/00/06/90/1083000690.db2.gz RTVQGLMRLNLREQ-OAQYLSRUSA-N 1 0 368.481 4.085 20 5 FIBDRO Cn1cc(C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cn1 ZINC000101594373 1083017954 /nfs/dbraw/zinc/01/79/54/1083017954.db2.gz PZPMJLUWZXCOIW-UHFFFAOYSA-N 1 0 372.812 4.064 20 5 FIBDRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000101592858 1083019324 /nfs/dbraw/zinc/01/93/24/1083019324.db2.gz WLJKSALGDWHDAB-HNNXBMFYSA-N 1 0 370.453 4.319 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 ZINC000101592180 1083021070 /nfs/dbraw/zinc/02/10/70/1083021070.db2.gz CLVCZPUURBJIJQ-MRXNPFEDSA-N 1 0 363.417 4.420 20 5 FIBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000588446427 1083127336 /nfs/dbraw/zinc/12/73/36/1083127336.db2.gz CAZTWHPOVUAVJY-PTNGSMBKSA-N 1 0 353.422 4.007 20 5 FIBDRO CC(C)COC1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000510640923 1083217362 /nfs/dbraw/zinc/21/73/62/1083217362.db2.gz NIHCHOHYZCDOAQ-UHFFFAOYSA-N 1 0 358.438 4.492 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430877461 1083220232 /nfs/dbraw/zinc/22/02/32/1083220232.db2.gz YGGHFAHHNHNQMO-TWGQIWQCSA-N 1 0 374.444 4.143 20 5 FIBDRO Cc1ccccc1OCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000520950629 1083385077 /nfs/dbraw/zinc/38/50/77/1083385077.db2.gz AGNAJZNHXZQRJU-UHFFFAOYSA-N 1 0 352.390 4.332 20 5 FIBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001167496450 1083526829 /nfs/dbraw/zinc/52/68/29/1083526829.db2.gz MBRADGCRQLZHDN-OCCSQVGLSA-N 1 0 373.316 4.463 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2nc3c(cccc3C)o2)cc1[N+](=O)[O-] ZINC000410357192 1083592186 /nfs/dbraw/zinc/59/21/86/1083592186.db2.gz CVGBCHFJAMNMGL-CQSZACIVSA-N 1 0 369.421 4.336 20 5 FIBDRO CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000167148153 1083631215 /nfs/dbraw/zinc/63/12/15/1083631215.db2.gz XERVEWDWCIDQFH-KRWDZBQOSA-N 1 0 372.465 4.478 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)s1 ZINC000535799214 1083674529 /nfs/dbraw/zinc/67/45/29/1083674529.db2.gz HAEWTTXBRLNZOP-WMLDXEAASA-N 1 0 358.463 4.324 20 5 FIBDRO C[N@H+](CCCNc1ccc([N+](=O)[O-])c2cccnc12)Cc1ccccc1 ZINC000024059492 1083721928 /nfs/dbraw/zinc/72/19/28/1083721928.db2.gz XJARTVZLVSYDFV-UHFFFAOYSA-N 1 0 350.422 4.077 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)cc1[N+](=O)[O-] ZINC000610813197 1083735939 /nfs/dbraw/zinc/73/59/39/1083735939.db2.gz PFLGFCVNGFLKHB-BBRMVZONSA-N 1 0 361.392 4.111 20 5 FIBDRO CCc1ccc([C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612407809 1083775783 /nfs/dbraw/zinc/77/57/83/1083775783.db2.gz NSDZXTJWUFYITN-YRISNDGFSA-N 1 0 369.465 4.056 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1[N+](=O)[O-] ZINC000610915981 1083848533 /nfs/dbraw/zinc/84/85/33/1083848533.db2.gz CVVHYXGSFTTYJY-MRXNPFEDSA-N 1 0 364.511 4.253 20 5 FIBDRO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000612540006 1083902380 /nfs/dbraw/zinc/90/23/80/1083902380.db2.gz QGBCHCRTJYXEBB-HNAYVOBHSA-N 1 0 362.376 4.225 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+](CC)CC)c2)c1 ZINC000548958969 1084067042 /nfs/dbraw/zinc/06/70/42/1084067042.db2.gz MTPFKURQHNJEGJ-UHFFFAOYSA-N 1 0 371.437 4.088 20 5 FIBDRO Cc1ccc([C@@H](C)C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000611560902 1084092644 /nfs/dbraw/zinc/09/26/44/1084092644.db2.gz BPRSVKDPBNHIPR-JXFKEZNVSA-N 1 0 364.449 4.119 20 5 FIBDRO Cn1cc(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c2ccc(F)cc21 ZINC000472047863 1084183462 /nfs/dbraw/zinc/18/34/62/1084183462.db2.gz IRLZSISDIBFUDM-GQCTYLIASA-N 1 0 353.397 4.071 20 5 FIBDRO Cc1ccc(C[NH2+]CC2(CCOCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000472050738 1084188826 /nfs/dbraw/zinc/18/88/26/1084188826.db2.gz BEXAQAUHJCEIAY-UHFFFAOYSA-N 1 0 354.450 4.380 20 5 FIBDRO COc1ccccc1[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)OC(C)C ZINC000472056495 1084204152 /nfs/dbraw/zinc/20/41/52/1084204152.db2.gz WFROWFAFNLVCEW-FQEVSTJZSA-N 1 0 358.438 4.168 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3sc(Br)cc32)cc1 ZINC000380866868 1084244724 /nfs/dbraw/zinc/24/47/24/1084244724.db2.gz MGCIVQWCRKDBAT-LBPRGKRZSA-N 1 0 353.241 4.196 20 5 FIBDRO C[NH+](C)CCOc1cccc(N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000580400339 1084422086 /nfs/dbraw/zinc/42/20/86/1084422086.db2.gz UUCRATAPFOBDGC-HXUWFJFHSA-N 1 0 355.438 4.025 20 5 FIBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001167517183 1084434287 /nfs/dbraw/zinc/43/42/87/1084434287.db2.gz OJGKHQGWNZKEOR-SFHVURJKSA-N 1 0 369.465 4.103 20 5 FIBDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000580603431 1084450560 /nfs/dbraw/zinc/45/05/60/1084450560.db2.gz ZGAQRKVREHQMSX-HOCLYGCPSA-N 1 0 374.412 4.119 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)C3CCCC3)o2)c(Cl)c1 ZINC000580604105 1084450666 /nfs/dbraw/zinc/45/06/66/1084450666.db2.gz JWNWMFABNJBHOK-QGZVFWFLSA-N 1 0 364.829 4.149 20 5 FIBDRO CC(C)c1ccc(C[NH2+]C[C@@H](CO)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000580974562 1084497408 /nfs/dbraw/zinc/49/74/08/1084497408.db2.gz KNTCEURIAIYQPX-HNNXBMFYSA-N 1 0 362.857 4.237 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(NC(=O)C(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000119829342 1084637156 /nfs/dbraw/zinc/63/71/56/1084637156.db2.gz PJLIRLDJBKYDIO-LJQANCHMSA-N 1 0 355.438 4.430 20 5 FIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(OCC(F)(F)F)c1 ZINC000511076189 1084654734 /nfs/dbraw/zinc/65/47/34/1084654734.db2.gz VUEJCAGBGQPGFH-UHFFFAOYSA-N 1 0 368.355 4.210 20 5 FIBDRO CC(C)[N@H+](C)CC1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000582162149 1084668567 /nfs/dbraw/zinc/66/85/67/1084668567.db2.gz JASREIJVCQWVIG-UHFFFAOYSA-N 1 0 374.510 4.275 20 5 FIBDRO CCC[C@H]([NH2+][C@@H](CN(C)C)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000551556830 1084678567 /nfs/dbraw/zinc/67/85/67/1084678567.db2.gz YATVLCNYOLFIRE-SFTDATJTSA-N 1 0 371.481 4.337 20 5 FIBDRO CC(=O)c1cc(N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000582459075 1084695447 /nfs/dbraw/zinc/69/54/47/1084695447.db2.gz WHFCURMRJIGRHD-VLIAUNLRSA-N 1 0 355.438 4.209 20 5 FIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000582256037 1084801121 /nfs/dbraw/zinc/80/11/21/1084801121.db2.gz YNGTXGDTGJSIEC-ZRCAFCQKSA-N 1 0 367.449 4.095 20 5 FIBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000180208887 1084898277 /nfs/dbraw/zinc/89/82/77/1084898277.db2.gz ICFGEBCSSDXXMN-SFHVURJKSA-N 1 0 366.421 4.098 20 5 FIBDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000478490888 1084954101 /nfs/dbraw/zinc/95/41/01/1084954101.db2.gz NZIJVFRRSXAYKP-HNNXBMFYSA-N 1 0 355.438 4.027 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3CC(C(F)(F)F)C3)cs2)c1 ZINC000582443434 1085010627 /nfs/dbraw/zinc/01/06/27/1085010627.db2.gz MZFFERRJCLFEJU-UHFFFAOYSA-N 1 0 357.357 4.149 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](OC(F)F)C3)o2)cc1 ZINC000611609613 1085031181 /nfs/dbraw/zinc/03/11/81/1085031181.db2.gz TUGCNQHVQILKHA-AWEZNQCLSA-N 1 0 352.337 4.058 20 5 FIBDRO CCC[C@H]([NH2+][C@H]1CCC[C@H](C(=O)NC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000124791283 1085183247 /nfs/dbraw/zinc/18/32/47/1085183247.db2.gz ZVKAZWLNKXJTNG-LNLFQRSKSA-N 1 0 361.486 4.109 20 5 FIBDRO CC(C)(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(F)c1 ZINC000178615026 1085234966 /nfs/dbraw/zinc/23/49/66/1085234966.db2.gz ZZEKIGDOCPNMGC-IBGZPJMESA-N 1 0 374.412 4.477 20 5 FIBDRO CCC(=O)c1ccc(NCc2cccc(C[NH+]3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000479927960 1085341957 /nfs/dbraw/zinc/34/19/57/1085341957.db2.gz IMTUSCQWGOYGQD-UHFFFAOYSA-N 1 0 367.449 4.395 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC001167598739 1085378421 /nfs/dbraw/zinc/37/84/21/1085378421.db2.gz JSZYHRDYEBDEEZ-NRFANRHFSA-N 1 0 354.450 4.448 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178641544 1085421414 /nfs/dbraw/zinc/42/14/14/1085421414.db2.gz WNHWTXVFXPEUNR-LBPRGKRZSA-N 1 0 354.328 4.387 20 5 FIBDRO COc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000549535292 1085439107 /nfs/dbraw/zinc/43/91/07/1085439107.db2.gz AHQQFLCZYQWOEM-LLVKDONJSA-N 1 0 354.328 4.473 20 5 FIBDRO C[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178651797 1085584814 /nfs/dbraw/zinc/58/48/14/1085584814.db2.gz FWVYRNZLRBPSEC-JKSUJKDBSA-N 1 0 359.495 4.219 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1 ZINC000178653048 1085596217 /nfs/dbraw/zinc/59/62/17/1085596217.db2.gz KBZPJQQSMNHLJC-NSHDSACASA-N 1 0 354.328 4.473 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000045960001 1085647358 /nfs/dbraw/zinc/64/73/58/1085647358.db2.gz RTKXKNVNPRNFSH-ZDUSSCGKSA-N 1 0 368.865 4.024 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC4(CCCCC4)C3)o2)cc1 ZINC000111324111 1085735643 /nfs/dbraw/zinc/73/56/43/1085735643.db2.gz VDZGVJANAVWYSR-UHFFFAOYSA-N 1 0 356.426 4.191 20 5 FIBDRO CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178681505 1085778943 /nfs/dbraw/zinc/77/89/43/1085778943.db2.gz VAJZWUHIPNHUJN-KBPBESRZSA-N 1 0 373.478 4.303 20 5 FIBDRO CSc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178690793 1085816890 /nfs/dbraw/zinc/81/68/90/1085816890.db2.gz VSTHKSDXYHXQPH-UONOGXRCSA-N 1 0 373.478 4.303 20 5 FIBDRO COc1ccc2c(c1)CC[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C2 ZINC000612419740 1085855254 /nfs/dbraw/zinc/85/52/54/1085855254.db2.gz KHOAFYWPQXYTPP-HNAYVOBHSA-N 1 0 354.450 4.072 20 5 FIBDRO CCc1ccc([C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612407806 1085858305 /nfs/dbraw/zinc/85/83/05/1085858305.db2.gz NSDZXTJWUFYITN-DJPFJPOOSA-N 1 0 369.465 4.056 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCOC3)cs2)c1 ZINC000567472078 1085865586 /nfs/dbraw/zinc/86/55/86/1085865586.db2.gz QNDJNCBIPUNQJD-CRAIPNDOSA-N 1 0 373.478 4.109 20 5 FIBDRO CCCCO[C@@H]1C[C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000572886565 1085899289 /nfs/dbraw/zinc/89/92/89/1085899289.db2.gz UJUFAEDDCSPJEV-ZWKOTPCHSA-N 1 0 373.453 4.323 20 5 FIBDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c(C)c1OC ZINC000582974534 1085979847 /nfs/dbraw/zinc/97/98/47/1085979847.db2.gz FAWNLKOVSYIPCI-DYVFJYSZSA-N 1 0 356.422 4.259 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@]3(CCOC3)C2)ccc1Oc1ccc(F)cc1 ZINC000093820518 1086202153 /nfs/dbraw/zinc/20/21/53/1086202153.db2.gz QTLZHXKVZIGFKZ-FQEVSTJZSA-N 1 0 372.396 4.139 20 5 FIBDRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000583117937 1086219390 /nfs/dbraw/zinc/21/93/90/1086219390.db2.gz VSAHWUNXWXHQJJ-OAHLLOKOSA-N 1 0 355.438 4.179 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000535942014 1086290506 /nfs/dbraw/zinc/29/05/06/1086290506.db2.gz FLMBTEITIDQIRA-PWECECGKSA-N 1 0 360.479 4.306 20 5 FIBDRO COc1ccc(C[N@@H+]2CC[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000511972694 1086473584 /nfs/dbraw/zinc/47/35/84/1086473584.db2.gz OMUPHUAKTZCTJA-OAHLLOKOSA-N 1 0 356.422 4.024 20 5 FIBDRO O=[N+]([O-])c1cccc2c(NC3CC[NH+](C4CCCCC4)CC3)ccnc21 ZINC000432316378 1086519204 /nfs/dbraw/zinc/51/92/04/1086519204.db2.gz ZPVCFXZERZQTBM-UHFFFAOYSA-N 1 0 354.454 4.352 20 5 FIBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C12CCC2 ZINC001167664833 1086520648 /nfs/dbraw/zinc/52/06/48/1086520648.db2.gz VGBRZRKQNCDONM-HZPDHXFCSA-N 1 0 372.387 4.393 20 5 FIBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C12CCC2 ZINC001167664832 1086521047 /nfs/dbraw/zinc/52/10/47/1086521047.db2.gz VGBRZRKQNCDONM-HOTGVXAUSA-N 1 0 372.387 4.393 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cncc(Br)c1 ZINC000583333652 1086571649 /nfs/dbraw/zinc/57/16/49/1086571649.db2.gz XOMICLSKBWVVAJ-WDEREUQCSA-N 1 0 350.216 4.164 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432341341 1086633601 /nfs/dbraw/zinc/63/36/01/1086633601.db2.gz WIFNPWBIYZNRAY-SJORKVTESA-N 1 0 368.481 4.234 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000106466360 1086647894 /nfs/dbraw/zinc/64/78/94/1086647894.db2.gz SEIZGDKZVBCXKN-NSHDSACASA-N 1 0 370.327 4.353 20 5 FIBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c1 ZINC000091696175 1086753394 /nfs/dbraw/zinc/75/33/94/1086753394.db2.gz ZFSVXWNLWAUYJW-UHFFFAOYSA-N 1 0 355.438 4.142 20 5 FIBDRO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000512154511 1086847937 /nfs/dbraw/zinc/84/79/37/1086847937.db2.gz YOPSQRSUKHZXML-FOIQADDNSA-N 1 0 368.433 4.435 20 5 FIBDRO Cc1ccc([C@@H](C)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000480282600 1087331688 /nfs/dbraw/zinc/33/16/88/1087331688.db2.gz XLMXYIKAELHJDX-YLJYHZDGSA-N 1 0 353.466 4.391 20 5 FIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000480410266 1087441258 /nfs/dbraw/zinc/44/12/58/1087441258.db2.gz ZPRAFICGMAHQLM-DOTOQJQBSA-N 1 0 362.433 4.390 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180406779 1087901385 /nfs/dbraw/zinc/90/13/85/1087901385.db2.gz AZLNRVNPHVYSQT-ZDUSSCGKSA-N 1 0 359.451 4.219 20 5 FIBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180570154 1087963535 /nfs/dbraw/zinc/96/35/35/1087963535.db2.gz FMMATPLOKHZJOK-AWEZNQCLSA-N 1 0 372.318 4.396 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000504894195 1087967454 /nfs/dbraw/zinc/96/74/54/1087967454.db2.gz KDOKZWLVDKXMAX-HNNXBMFYSA-N 1 0 365.433 4.435 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000504895623 1087968949 /nfs/dbraw/zinc/96/89/49/1087968949.db2.gz VMQBWSGVKCTDJU-ANQUJSFKSA-N 1 0 350.484 4.013 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1csc(C)n1 ZINC000504899641 1087971153 /nfs/dbraw/zinc/97/11/53/1087971153.db2.gz JOIIULSRJMAFSD-CYBMUJFWSA-N 1 0 351.497 4.063 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000504919606 1087971986 /nfs/dbraw/zinc/97/19/86/1087971986.db2.gz LRVBNDNVPXTPFE-JKSUJKDBSA-N 1 0 352.500 4.260 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000504921932 1087974903 /nfs/dbraw/zinc/97/49/03/1087974903.db2.gz WKQUSXYKJXEQBY-HOCLYGCPSA-N 1 0 360.479 4.392 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCCOC2CCCCC2)cc1[N+](=O)[O-] ZINC000504905143 1087977164 /nfs/dbraw/zinc/97/71/64/1087977164.db2.gz DBTVKPPKUITDCX-OAHLLOKOSA-N 1 0 350.459 4.384 20 5 FIBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000181299495 1088298855 /nfs/dbraw/zinc/29/88/55/1088298855.db2.gz VGCHRIPICCNEGE-QVKFZJNVSA-N 1 0 363.417 4.041 20 5 FIBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000181315419 1088303671 /nfs/dbraw/zinc/30/36/71/1088303671.db2.gz ICYJZUWTSABGFS-QWRGUYRKSA-N 1 0 370.375 4.382 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000513824606 1088421825 /nfs/dbraw/zinc/42/18/25/1088421825.db2.gz NRYHGVQXMJQZBU-XFIJJGBISA-N 1 0 368.481 4.276 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000513824603 1088422002 /nfs/dbraw/zinc/42/20/02/1088422002.db2.gz NRYHGVQXMJQZBU-MCNSAMFCSA-N 1 0 368.481 4.276 20 5 FIBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189496136 1088485256 /nfs/dbraw/zinc/48/52/56/1088485256.db2.gz XGIVWKKVJKMGCZ-DLBZAZTESA-N 1 0 361.467 4.404 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000311295522 1088532067 /nfs/dbraw/zinc/53/20/67/1088532067.db2.gz CLQXPZMFIAUIFD-YCPHGPKFSA-N 1 0 363.458 4.033 20 5 FIBDRO CC(C)(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)OCC1CC1 ZINC000414513716 1088805718 /nfs/dbraw/zinc/80/57/18/1088805718.db2.gz GPQVGPLXZPFKDU-UHFFFAOYSA-N 1 0 361.467 4.013 20 5 FIBDRO CC[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000414518603 1088807060 /nfs/dbraw/zinc/80/70/60/1088807060.db2.gz VRFAKXRXAOZHRD-GFCCVEGCSA-N 1 0 370.375 4.064 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000414566731 1088833339 /nfs/dbraw/zinc/83/33/39/1088833339.db2.gz XHVQIDRUEOOYBR-PNWMKBJFSA-N 1 0 364.445 4.462 20 5 FIBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(C)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000181528681 1088951182 /nfs/dbraw/zinc/95/11/82/1088951182.db2.gz ZLTLYIVFDNIYIA-INIZCTEOSA-N 1 0 361.829 4.236 20 5 FIBDRO CC[N@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000430090758 1088968819 /nfs/dbraw/zinc/96/88/19/1088968819.db2.gz TUUIGGUUSJGSAJ-CYBMUJFWSA-N 1 0 364.829 4.243 20 5 FIBDRO CC(C)[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1(CO)CCC1 ZINC000430109615 1088998851 /nfs/dbraw/zinc/99/88/51/1088998851.db2.gz ZAMQOSHNNCRXBR-LJQANCHMSA-N 1 0 358.438 4.132 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000434891565 1089098091 /nfs/dbraw/zinc/09/80/91/1089098091.db2.gz IYAINUNAZZKEDM-RYRKJORJSA-N 1 0 367.449 4.108 20 5 FIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(Br)s1 ZINC000549171210 1089110750 /nfs/dbraw/zinc/11/07/50/1089110750.db2.gz OCNYOLGSWZBJFC-UHFFFAOYSA-N 1 0 355.257 4.093 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000434896710 1089114625 /nfs/dbraw/zinc/11/46/25/1089114625.db2.gz QAHCFWVEYSRZSZ-APWZRJJASA-N 1 0 367.449 4.110 20 5 FIBDRO Cc1cccc(C)c1NC(=O)CCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549172728 1089118556 /nfs/dbraw/zinc/11/85/56/1089118556.db2.gz NYRVEBBQGZSCMP-UHFFFAOYSA-N 1 0 369.465 4.105 20 5 FIBDRO CC(C)C[C@H](CCO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000236752585 1089485096 /nfs/dbraw/zinc/48/50/96/1089485096.db2.gz WKIMSCWUISYOAH-HNNXBMFYSA-N 1 0 362.495 4.458 20 5 FIBDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000515100211 1089781543 /nfs/dbraw/zinc/78/15/43/1089781543.db2.gz VFRCRBMGRWKZBR-SFHVURJKSA-N 1 0 360.479 4.210 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](Cc3ccccc3)C3CC3)o2)c1 ZINC000104666156 1090289051 /nfs/dbraw/zinc/28/90/51/1090289051.db2.gz AXTJHRAYFBJAFS-UHFFFAOYSA-N 1 0 363.417 4.457 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]CC[C@@H]3CCO[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000541371768 1090316105 /nfs/dbraw/zinc/31/61/05/1090316105.db2.gz SELUICKDIXYMSM-LSDHHAIUSA-N 1 0 374.437 4.158 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](CCCO)c1ccccc1)CCCC2 ZINC000417316564 1090797799 /nfs/dbraw/zinc/79/77/99/1090797799.db2.gz UKXPTRKXMUCDEE-RTWAWAEBSA-N 1 0 354.450 4.466 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](CCO)c1ccccc1)CCCC2 ZINC000417318311 1090798537 /nfs/dbraw/zinc/79/85/37/1090798537.db2.gz YLFMNVVNRDFEKL-GHTZIAJQSA-N 1 0 354.450 4.118 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cccn3)cc1)CCCC2 ZINC000417309929 1090802497 /nfs/dbraw/zinc/80/24/97/1090802497.db2.gz GNANYCGOSVYYDK-NRFANRHFSA-N 1 0 362.433 4.338 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cnn(-c3ccccc3)c1)CCCC2 ZINC000417308932 1090803284 /nfs/dbraw/zinc/80/32/84/1090803284.db2.gz FXZXHWXRFNDBRV-NRFANRHFSA-N 1 0 362.433 4.338 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1c[nH]c3ncccc13)CCCC2 ZINC000417311356 1090805023 /nfs/dbraw/zinc/80/50/23/1090805023.db2.gz OOAMYVXFEUBMFC-IBGZPJMESA-N 1 0 350.422 4.071 20 5 FIBDRO C[S@@](=O)Cc1ccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417332705 1090821081 /nfs/dbraw/zinc/82/10/81/1090821081.db2.gz OLJNIRFNZOITCM-FQRUVTKNSA-N 1 0 372.490 4.031 20 5 FIBDRO CC(=O)Nc1ccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417334451 1090823409 /nfs/dbraw/zinc/82/34/09/1090823409.db2.gz ZQQPGBUIJTWZCJ-FQEVSTJZSA-N 1 0 353.422 4.111 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000511622820 1090855366 /nfs/dbraw/zinc/85/53/66/1090855366.db2.gz LRJMPVKUTJVTFA-GOSISDBHSA-N 1 0 373.840 4.332 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000566474282 1090861832 /nfs/dbraw/zinc/86/18/32/1090861832.db2.gz GFTHXYGCHWYBMQ-KXBFYZLASA-N 1 0 371.506 4.145 20 5 FIBDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500133049 1091059390 /nfs/dbraw/zinc/05/93/90/1091059390.db2.gz OXXRZANIKWOKNO-FQEVSTJZSA-N 1 0 355.438 4.253 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)o1 ZINC000566593088 1091081191 /nfs/dbraw/zinc/08/11/91/1091081191.db2.gz WMPXULAXVOZUMY-VQTJNVASSA-N 1 0 368.433 4.388 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C2CC2)cc1 ZINC000759854453 1091336865 /nfs/dbraw/zinc/33/68/65/1091336865.db2.gz XHSNFIRPTVRCHS-GOSISDBHSA-N 1 0 364.804 4.085 20 5 FIBDRO CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000311306824 1091357887 /nfs/dbraw/zinc/35/78/87/1091357887.db2.gz RMNRVVAFOGQWOE-IBGZPJMESA-N 1 0 365.474 4.014 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c(Cl)c1 ZINC000511764954 1091650375 /nfs/dbraw/zinc/65/03/75/1091650375.db2.gz KGZYDFJGWBDDSD-GGPKGHCWSA-N 1 0 372.852 4.253 20 5 FIBDRO CC[NH+]1CCC(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000236920470 1091923455 /nfs/dbraw/zinc/92/34/55/1091923455.db2.gz LKHBBNSCEXUKHW-UHFFFAOYSA-N 1 0 373.428 4.100 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000512291897 1092013150 /nfs/dbraw/zinc/01/31/50/1092013150.db2.gz MRJNOKYWEUVXJG-MRXNPFEDSA-N 1 0 367.449 4.457 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(c3ncc[nH]3)CC2)s1 ZINC000512389498 1092213760 /nfs/dbraw/zinc/21/37/60/1092213760.db2.gz MUJGMGHSBGEPCK-UHFFFAOYSA-N 1 0 368.462 4.426 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cccc(COCc3ccco3)c2)c1 ZINC000520950876 1092375538 /nfs/dbraw/zinc/37/55/38/1092375538.db2.gz JPGZQXRTLSNNGX-UHFFFAOYSA-N 1 0 352.390 4.194 20 5 FIBDRO Cc1c(C[NH2+][C@@H]2CCc3cc(Br)ccc32)cccc1[N+](=O)[O-] ZINC000389573070 1092509537 /nfs/dbraw/zinc/50/95/37/1092509537.db2.gz CSACDDJHYUTUFQ-MRXNPFEDSA-N 1 0 361.239 4.443 20 5 FIBDRO Cc1c(C[NH2+][C@H]2CCc3cc(Br)ccc32)cccc1[N+](=O)[O-] ZINC000389573067 1092509647 /nfs/dbraw/zinc/50/96/47/1092509647.db2.gz CSACDDJHYUTUFQ-INIZCTEOSA-N 1 0 361.239 4.443 20 5 FIBDRO CCCCN(C(=O)c1csc([N+](=O)[O-])c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000521141360 1092523582 /nfs/dbraw/zinc/52/35/82/1092523582.db2.gz ZBKZWNJCRGYVSL-UHFFFAOYSA-N 1 0 367.515 4.208 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000438906843 1092536786 /nfs/dbraw/zinc/53/67/86/1092536786.db2.gz HHUVTAHAJMVMHT-WAOWUJCRSA-N 1 0 367.449 4.020 20 5 FIBDRO CC[NH+]1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000236920731 1092741880 /nfs/dbraw/zinc/74/18/80/1092741880.db2.gz GOGQGQRGAGTPCT-UHFFFAOYSA-N 1 0 363.845 4.082 20 5 FIBDRO CSc1ccccc1[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000442876917 1092831911 /nfs/dbraw/zinc/83/19/11/1092831911.db2.gz SMVMYFPELBIPIM-KGLIPLIRSA-N 1 0 373.478 4.385 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)o2)cc1 ZINC000572807656 1092907528 /nfs/dbraw/zinc/90/75/28/1092907528.db2.gz CIOACHDBUFQVCA-UXHICEINSA-N 1 0 368.433 4.388 20 5 FIBDRO Cc1ccc(C)c(C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000432891778 1092909265 /nfs/dbraw/zinc/90/92/65/1092909265.db2.gz NCWHDKWKACTEEJ-UHFFFAOYSA-N 1 0 364.449 4.244 20 5 FIBDRO COc1ccc(C[NH2+]CCc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000521814757 1092927887 /nfs/dbraw/zinc/92/78/87/1092927887.db2.gz XHCSQUYOGNJHKE-UHFFFAOYSA-N 1 0 355.221 4.243 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2c(F)cccc2F)o1 ZINC000521826549 1092930313 /nfs/dbraw/zinc/93/03/13/1092930313.db2.gz HQNHFVWLLBZLLR-UHFFFAOYSA-N 1 0 358.344 4.465 20 5 FIBDRO CCc1c(C)[nH+]c2ccccc2c1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000573694355 1092958506 /nfs/dbraw/zinc/95/85/06/1092958506.db2.gz MAQSITWPIWCQPA-UHFFFAOYSA-N 1 0 365.437 4.052 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCCOc4ccccc43)c2c1 ZINC000521938595 1092988066 /nfs/dbraw/zinc/98/80/66/1092988066.db2.gz JUNXXZVWHJBDJZ-GOSISDBHSA-N 1 0 351.406 4.122 20 5 FIBDRO COc1ccc(OC)c(C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C(C)(C)C)c1 ZINC001168018780 1093173736 /nfs/dbraw/zinc/17/37/36/1093173736.db2.gz UZTKVKUOCWXADC-UHFFFAOYSA-N 1 0 372.465 4.455 20 5 FIBDRO C[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[N@@H+]1CCCC[C@@H]1C ZINC000522196445 1093201134 /nfs/dbraw/zinc/20/11/34/1093201134.db2.gz ZUDNFUTVYPFUEH-GJZGRUSLSA-N 1 0 374.510 4.071 20 5 FIBDRO CC1(C)C[C@H]([NH2+]C2(C(=O)Nc3ccccc3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433078568 1093206861 /nfs/dbraw/zinc/20/68/61/1093206861.db2.gz SILTTYDDUXRNQX-SFHVURJKSA-N 1 0 365.433 4.078 20 5 FIBDRO C[C@]1(c2ccccc2)CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000522223730 1093218928 /nfs/dbraw/zinc/21/89/28/1093218928.db2.gz CKMATGPEWQIBCR-NRFANRHFSA-N 1 0 368.433 4.015 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(CO)CC(c3ccccc3)C1)CCC2 ZINC000433090221 1093234535 /nfs/dbraw/zinc/23/45/35/1093234535.db2.gz RBOPOCCHJONTHN-QUENFVSXSA-N 1 0 366.461 4.118 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000433096364 1093235974 /nfs/dbraw/zinc/23/59/74/1093235974.db2.gz DNEMZQQTGFWCGP-MSOLQXFVSA-N 1 0 353.466 4.470 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1OC ZINC000433141778 1093328214 /nfs/dbraw/zinc/32/82/14/1093328214.db2.gz BIOMCEKWWKZREG-KRWDZBQOSA-N 1 0 356.422 4.124 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433146886 1093331496 /nfs/dbraw/zinc/33/14/96/1093331496.db2.gz MWMJFQIAQJFKGZ-MOPGFXCFSA-N 1 0 369.465 4.337 20 5 FIBDRO CSC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000433209949 1093441038 /nfs/dbraw/zinc/44/10/38/1093441038.db2.gz ZFKFZWKCBCUQBJ-UHFFFAOYSA-N 1 0 352.843 4.493 20 5 FIBDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000512886375 1093508607 /nfs/dbraw/zinc/50/86/07/1093508607.db2.gz XXDVIBHPEBKJHH-CHWSQXEVSA-N 1 0 364.829 4.270 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]C[C@H](CCO)c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433270556 1093513491 /nfs/dbraw/zinc/51/34/91/1093513491.db2.gz LGJXSTYBRRPIDA-OXJNMPFZSA-N 1 0 354.450 4.073 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]CC3(C(F)(F)F)CC3)o2)c([N+](=O)[O-])c1 ZINC000512904377 1093551450 /nfs/dbraw/zinc/55/14/50/1093551450.db2.gz SIYRVZJYJHGJFR-UHFFFAOYSA-N 1 0 370.327 4.296 20 5 FIBDRO COc1ccc([C@H](CCO)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433305951 1093571836 /nfs/dbraw/zinc/57/18/36/1093571836.db2.gz QQMHJEJWERHHPI-VQTJNVASSA-N 1 0 370.449 4.039 20 5 FIBDRO Cc1ccc(C)c([C@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000474212786 1093586600 /nfs/dbraw/zinc/58/66/00/1093586600.db2.gz ONBUNQIEEQHKEJ-HXUWFJFHSA-N 1 0 367.449 4.012 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000052611833 1093836934 /nfs/dbraw/zinc/83/69/34/1093836934.db2.gz FTDYMOSEIYEGKB-INIZCTEOSA-N 1 0 351.406 4.158 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513112007 1093851081 /nfs/dbraw/zinc/85/10/81/1093851081.db2.gz RAHCAJKGLSHDRC-KBXCAEBGSA-N 1 0 356.422 4.071 20 5 FIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000513204584 1094005823 /nfs/dbraw/zinc/00/58/23/1094005823.db2.gz GUMJBBQEDYZIQS-GFCCVEGCSA-N 1 0 360.364 4.233 20 5 FIBDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000513242607 1094033652 /nfs/dbraw/zinc/03/36/52/1094033652.db2.gz VBFNSVOJMDSKPQ-KDOFPFPSSA-N 1 0 364.405 4.228 20 5 FIBDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000513277619 1094044935 /nfs/dbraw/zinc/04/49/35/1094044935.db2.gz YYEXHAKRNPKINL-LIRRHRJNSA-N 1 0 354.406 4.044 20 5 FIBDRO CC(C)OCCC[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000513593865 1094229587 /nfs/dbraw/zinc/22/95/87/1094229587.db2.gz GYFVXRAZPZLCAU-UHFFFAOYSA-N 1 0 357.454 4.267 20 5 FIBDRO CC[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000513703615 1094394586 /nfs/dbraw/zinc/39/45/86/1094394586.db2.gz XXECUNHXXMRWAV-UZLBHIALSA-N 1 0 364.449 4.201 20 5 FIBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000501080896 1094496081 /nfs/dbraw/zinc/49/60/81/1094496081.db2.gz ZFHDVTDJVIJRFV-AWEZNQCLSA-N 1 0 359.401 4.146 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnn2-c2ccccc2C)cc1[N+](=O)[O-] ZINC000474804610 1094641192 /nfs/dbraw/zinc/64/11/92/1094641192.db2.gz BECYPJWKJYZZCV-MRXNPFEDSA-N 1 0 350.422 4.248 20 5 FIBDRO COc1ccc(OCC[NH2+][C@H](C)c2ccccc2SC)c([N+](=O)[O-])c1 ZINC000501524312 1094753142 /nfs/dbraw/zinc/75/31/42/1094753142.db2.gz QLANEPZEIRMYAF-CYBMUJFWSA-N 1 0 362.451 4.055 20 5 FIBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000413233267 1094765057 /nfs/dbraw/zinc/76/50/57/1094765057.db2.gz CRUGBYBBHAQPMX-NWDGAFQWSA-N 1 0 372.391 4.074 20 5 FIBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1(C)C ZINC000237164120 1095364613 /nfs/dbraw/zinc/36/46/13/1095364613.db2.gz SGBOPYQSEBIKEZ-QAPCUYQASA-N 1 0 361.467 4.012 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(Br)cn2)cccc1[N+](=O)[O-] ZINC000281151333 1095496311 /nfs/dbraw/zinc/49/63/11/1095496311.db2.gz OLNCBXSFTHGAAY-RYUDHWBXSA-N 1 0 364.243 4.473 20 5 FIBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000183552321 1095522068 /nfs/dbraw/zinc/52/20/68/1095522068.db2.gz UVODULJUPPLSGM-UONOGXRCSA-N 1 0 367.405 4.327 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000444005106 1095602559 /nfs/dbraw/zinc/60/25/59/1095602559.db2.gz UOCWHSZCBAZOAC-UHFFFAOYSA-N 1 0 365.764 4.056 20 5 FIBDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000183619733 1095764155 /nfs/dbraw/zinc/76/41/55/1095764155.db2.gz WKVJLXYWCSAUEQ-CQSZACIVSA-N 1 0 367.405 4.329 20 5 FIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000502781714 1095845114 /nfs/dbraw/zinc/84/51/14/1095845114.db2.gz OOHUVRJNKHJPJF-UHFFFAOYSA-N 1 0 373.478 4.411 20 5 FIBDRO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000502938421 1095981177 /nfs/dbraw/zinc/98/11/77/1095981177.db2.gz HQAQPSPWOFFEIT-MRXNPFEDSA-N 1 0 355.438 4.224 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)cc1 ZINC000183818360 1096218362 /nfs/dbraw/zinc/21/83/62/1096218362.db2.gz XDQKXQJBTHJABO-UHFFFAOYSA-N 1 0 360.211 4.128 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000503896463 1096579078 /nfs/dbraw/zinc/57/90/78/1096579078.db2.gz XCEOLDHRCPNGQT-HOCLYGCPSA-N 1 0 374.412 4.431 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503900145 1096579805 /nfs/dbraw/zinc/57/98/05/1096579805.db2.gz COIYNMOIFQESOO-DUFGSWQCSA-N 1 0 354.397 4.056 20 5 FIBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2cc(N)ccc2O1 ZINC000423445430 1096678026 /nfs/dbraw/zinc/67/80/26/1096678026.db2.gz SCRMIOQPTNIZMP-RTBURBONSA-N 1 0 367.449 4.446 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)cc1[N+](=O)[O-] ZINC000423429850 1096683402 /nfs/dbraw/zinc/68/34/02/1096683402.db2.gz SZJLLGBHHNLIGK-CXAGYDPISA-N 1 0 355.438 4.438 20 5 FIBDRO CC(C)[NH+]1CCC(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000017281457 1096735029 /nfs/dbraw/zinc/73/50/29/1096735029.db2.gz NXLDRFWSSJQTHM-UHFFFAOYSA-N 1 0 367.449 4.111 20 5 FIBDRO CC(C)[NH+]1CCN(c2cccc(N[C@H](C)c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000504400456 1096766179 /nfs/dbraw/zinc/76/61/79/1096766179.db2.gz CVGSRZMCPBXHBH-QGZVFWFLSA-N 1 0 368.481 4.298 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CC3CCCCC3)C3CC3)n2)cc1 ZINC000532920762 1098610726 /nfs/dbraw/zinc/61/07/26/1098610726.db2.gz UGTJMOLHOWKUFI-UHFFFAOYSA-N 1 0 356.426 4.190 20 5 FIBDRO C[C@H](C[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-])c1nccs1 ZINC000425453267 1098695827 /nfs/dbraw/zinc/69/58/27/1098695827.db2.gz DXBHIAOUFCNEBJ-SNVBAGLBSA-N 1 0 370.272 4.049 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000533046147 1098712430 /nfs/dbraw/zinc/71/24/30/1098712430.db2.gz KFLALJVEJHXOSP-FQEVSTJZSA-N 1 0 371.412 4.112 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000533052328 1098718795 /nfs/dbraw/zinc/71/87/95/1098718795.db2.gz BGCKPIHUZKTSSR-UHFFFAOYSA-N 1 0 371.412 4.040 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]3C3CCCC3)o2)c1 ZINC000533251897 1098913328 /nfs/dbraw/zinc/91/33/28/1098913328.db2.gz APVSIEQTALSROH-GOSISDBHSA-N 1 0 355.438 4.447 20 5 FIBDRO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000533293961 1098941937 /nfs/dbraw/zinc/94/19/37/1098941937.db2.gz BNLBCBBJGWBMGI-OAHLLOKOSA-N 1 0 366.421 4.016 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000533400046 1099008141 /nfs/dbraw/zinc/00/81/41/1099008141.db2.gz CRYUEYVEJZMEJS-GOSISDBHSA-N 1 0 367.449 4.111 20 5 FIBDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000533438756 1099041889 /nfs/dbraw/zinc/04/18/89/1099041889.db2.gz OYDKAOHLGOBCOR-SJORKVTESA-N 1 0 367.449 4.028 20 5 FIBDRO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4cccc([N+](=O)[O-])c4)CC3)c2c1 ZINC000533487933 1099109463 /nfs/dbraw/zinc/10/94/63/1099109463.db2.gz UXSSMFUAOMRPOE-UHFFFAOYSA-N 1 0 363.417 4.374 20 5 FIBDRO CC[NH+](CC)[C@@H](c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000516114380 1099195154 /nfs/dbraw/zinc/19/51/54/1099195154.db2.gz GTBXCYIYGIOWDH-GOSISDBHSA-N 1 0 366.421 4.384 20 5 FIBDRO CC[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(OC)c1 ZINC000516508957 1099552573 /nfs/dbraw/zinc/55/25/73/1099552573.db2.gz RCJKRLFUGHLENZ-LJQANCHMSA-N 1 0 353.422 4.368 20 5 FIBDRO O=[N+]([O-])c1ccc(NCCC[N@@H+]2CCc3ccccc3C2)c2ncccc12 ZINC000506046924 1099911480 /nfs/dbraw/zinc/91/14/80/1099911480.db2.gz DWXXJAIYXWXISD-UHFFFAOYSA-N 1 0 362.433 4.003 20 5 FIBDRO Cc1ccc(CN(C)Cc2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000506088796 1100055002 /nfs/dbraw/zinc/05/50/02/1100055002.db2.gz ZQCDNHIJFFAFRC-UHFFFAOYSA-N 1 0 355.257 4.359 20 5 FIBDRO O=C(CC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000517108642 1100076331 /nfs/dbraw/zinc/07/63/31/1100076331.db2.gz GOSBHIRHOCHIOZ-HNNXBMFYSA-N 1 0 373.840 4.066 20 5 FIBDRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000536826748 1100342289 /nfs/dbraw/zinc/34/22/89/1100342289.db2.gz KLVXSXGJCPDGNJ-CABCVRRESA-N 1 0 358.438 4.141 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC4(C3)CCOCC4)o2)c(Cl)c1 ZINC000459618617 1100348401 /nfs/dbraw/zinc/34/84/01/1100348401.db2.gz LAKMAQAVQSYZIU-UHFFFAOYSA-N 1 0 362.813 4.121 20 5 FIBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000536851355 1100365606 /nfs/dbraw/zinc/36/56/06/1100365606.db2.gz JZZVCDQROKLSHR-AVYPCKFXSA-N 1 0 360.429 4.421 20 5 FIBDRO C[C@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccsc2S1 ZINC000536872287 1100391981 /nfs/dbraw/zinc/39/19/81/1100391981.db2.gz STHHLITYJJITFJ-XHDPSFHLSA-N 1 0 350.465 4.250 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459650295 1100393173 /nfs/dbraw/zinc/39/31/73/1100393173.db2.gz XLLPIRSQQQPIQC-CZUORRHYSA-N 1 0 372.387 4.337 20 5 FIBDRO COCCOC[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536878046 1100401958 /nfs/dbraw/zinc/40/19/58/1100401958.db2.gz PPEOYRFRLPVTQZ-KGLIPLIRSA-N 1 0 364.467 4.025 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(NCc2cncn2Cc2ccccc2)c1 ZINC000438311612 1100592175 /nfs/dbraw/zinc/59/21/75/1100592175.db2.gz HAQGRLSLORXCFY-UHFFFAOYSA-N 1 0 374.347 4.053 20 5 FIBDRO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000425996624 1100642468 /nfs/dbraw/zinc/64/24/68/1100642468.db2.gz RKNVRYHEIQKNGQ-GFCCVEGCSA-N 1 0 368.355 4.430 20 5 FIBDRO Cc1ccc(C[NH2+]CCCO[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000506292997 1100798162 /nfs/dbraw/zinc/79/81/62/1100798162.db2.gz QCDIQMNDYQPRBI-OAQYLSRUSA-N 1 0 354.450 4.477 20 5 FIBDRO COC1CC[NH+](C2(CNc3ccc([N+](=O)[O-])cc3Cl)CCCC2)CC1 ZINC000518066964 1100896157 /nfs/dbraw/zinc/89/61/57/1100896157.db2.gz HUNKOGWYKUCWSC-UHFFFAOYSA-N 1 0 367.877 4.084 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCN3CCCC[C@H]23)s1 ZINC000518267715 1101050336 /nfs/dbraw/zinc/05/03/36/1101050336.db2.gz QQOUACLRJNBPEV-SJLPKXTDSA-N 1 0 357.479 4.040 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC([NH+]3CCCC3)CC2)s1 ZINC000506458259 1101069813 /nfs/dbraw/zinc/06/98/13/1101069813.db2.gz AMUAAVNNSSAYMH-UHFFFAOYSA-N 1 0 371.506 4.384 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC2CC[NH+](C3CCC3)CC2)s1 ZINC000518276841 1101070814 /nfs/dbraw/zinc/07/08/14/1101070814.db2.gz VYASUKATDHMTKU-UHFFFAOYSA-N 1 0 371.506 4.430 20 5 FIBDRO CCSc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000426350531 1101336443 /nfs/dbraw/zinc/33/64/43/1101336443.db2.gz HRLTVHCJYFVFCN-SJORKVTESA-N 1 0 360.483 4.177 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1OCCc2sccc21 ZINC000426352534 1101341003 /nfs/dbraw/zinc/34/10/03/1101341003.db2.gz MIOPZQNSHSGEMB-OYYNGEPBSA-N 1 0 358.463 4.326 20 5 FIBDRO CC(C)C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(C(F)(F)F)c1 ZINC000537058483 1101412522 /nfs/dbraw/zinc/41/25/22/1101412522.db2.gz GGRUIKKDQOXBEA-AWEZNQCLSA-N 1 0 370.375 4.224 20 5 FIBDRO CCC[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1ccccc1 ZINC000537040298 1101417164 /nfs/dbraw/zinc/41/71/64/1101417164.db2.gz RHAFRKQGIWCPQJ-QGZVFWFLSA-N 1 0 369.421 4.024 20 5 FIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537075555 1101439310 /nfs/dbraw/zinc/43/93/10/1101439310.db2.gz WMKGICKQUQHXRZ-CQSZACIVSA-N 1 0 355.438 4.182 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000537097256 1101447886 /nfs/dbraw/zinc/44/78/86/1101447886.db2.gz HJZORYLMODEMCU-STQMWFEESA-N 1 0 353.422 4.236 20 5 FIBDRO Cc1n[nH]cc1CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000537242720 1101582738 /nfs/dbraw/zinc/58/27/38/1101582738.db2.gz MIBRSFIQRSGMKN-UHFFFAOYSA-N 1 0 356.451 4.077 20 5 FIBDRO C[C@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCOC1 ZINC000537299538 1101622392 /nfs/dbraw/zinc/62/23/92/1101622392.db2.gz JDOGKIIUIAXTRX-QGZVFWFLSA-N 1 0 350.802 4.024 20 5 FIBDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537310100 1101639435 /nfs/dbraw/zinc/63/94/35/1101639435.db2.gz DTZGDPSTIFAUFM-INIZCTEOSA-N 1 0 352.818 4.005 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccccc1Cl ZINC000026227461 1101945411 /nfs/dbraw/zinc/94/54/11/1101945411.db2.gz WNYCFBLTCFQPGB-ZDUSSCGKSA-N 1 0 361.829 4.236 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000026227576 1101945549 /nfs/dbraw/zinc/94/55/49/1101945549.db2.gz MGKXZHWCWGMTIA-CYBMUJFWSA-N 1 0 361.829 4.236 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)cs2)c1 ZINC000897749126 1102130761 /nfs/dbraw/zinc/13/07/61/1102130761.db2.gz VLGFYMSTLNDORB-SFESLNEESA-N 1 0 361.492 4.235 20 5 FIBDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000237767321 1102141332 /nfs/dbraw/zinc/14/13/32/1102141332.db2.gz UNMHSBIQEOTIJQ-UHFFFAOYSA-N 1 0 364.449 4.120 20 5 FIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000191388026 1102163239 /nfs/dbraw/zinc/16/32/39/1102163239.db2.gz ZUJUFUBGBOHXSX-UHFFFAOYSA-N 1 0 374.485 4.130 20 5 FIBDRO CC[C@H](N[C@H](c1nccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000532452190 1102342251 /nfs/dbraw/zinc/34/22/51/1102342251.db2.gz BFACZODNGMQKNN-OALUTQOASA-N 1 0 350.422 4.159 20 5 FIBDRO COCC1([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000532479462 1102423275 /nfs/dbraw/zinc/42/32/75/1102423275.db2.gz PNVBXVCIAJCPBH-UHFFFAOYSA-N 1 0 362.813 4.309 20 5 FIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000532485018 1102427201 /nfs/dbraw/zinc/42/72/01/1102427201.db2.gz FPGNMOVMZCOYLU-CYBMUJFWSA-N 1 0 368.355 4.429 20 5 FIBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCOC(C)(C)C1 ZINC000550105054 1102493792 /nfs/dbraw/zinc/49/37/92/1102493792.db2.gz GMNDLDFNIVIYJG-CQSZACIVSA-N 1 0 360.376 4.393 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CCOc2ccccc2-c2ccccc2)cs1 ZINC000237973484 1102524541 /nfs/dbraw/zinc/52/45/41/1102524541.db2.gz KWFHSZZKPQXFPX-UHFFFAOYSA-N 1 0 354.431 4.492 20 5 FIBDRO C[C@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000550920928 1102693166 /nfs/dbraw/zinc/69/31/66/1102693166.db2.gz LEBDEEBSHXYODO-AWEZNQCLSA-N 1 0 372.494 4.313 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H](C[NH+]4CCCCC4)C3)o2)cc1 ZINC000537650158 1102697346 /nfs/dbraw/zinc/69/73/46/1102697346.db2.gz JAWQHYNEVBWJMC-QGZVFWFLSA-N 1 0 369.465 4.163 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)c([N+](=O)[O-])cc1F ZINC000184311479 1102839622 /nfs/dbraw/zinc/83/96/22/1102839622.db2.gz BNLPYAICZNZOLN-AWEZNQCLSA-N 1 0 373.428 4.194 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)s2)cc1 ZINC000551563860 1103365582 /nfs/dbraw/zinc/36/55/82/1103365582.db2.gz KWVVDPFFISGUPZ-ROUUACIJSA-N 1 0 358.463 4.467 20 5 FIBDRO COc1ccc(C[N@H+](C)[C@@H](C)C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000507432602 1103385786 /nfs/dbraw/zinc/38/57/86/1103385786.db2.gz INBRUESQMSLSEL-HNNXBMFYSA-N 1 0 370.449 4.413 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cnc4n3CCCC4)s2)cc1 ZINC000551581309 1103407363 /nfs/dbraw/zinc/40/73/63/1103407363.db2.gz ANROHNQGUJBUGM-UHFFFAOYSA-N 1 0 368.462 4.146 20 5 FIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@H](C)c1ccccc1 ZINC000467410781 1103636645 /nfs/dbraw/zinc/63/66/45/1103636645.db2.gz KLYMJAJCWPLIPM-HOTGVXAUSA-N 1 0 355.438 4.095 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000467411867 1103834874 /nfs/dbraw/zinc/83/48/74/1103834874.db2.gz FTQBXMMACAJYLD-MLGOLLRUSA-N 1 0 366.820 4.032 20 5 FIBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000538180165 1104013372 /nfs/dbraw/zinc/01/33/72/1104013372.db2.gz SALRVSBBEVUSGW-AWEZNQCLSA-N 1 0 355.438 4.182 20 5 FIBDRO COCCSc1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000538206069 1104017946 /nfs/dbraw/zinc/01/79/46/1104017946.db2.gz CLGLTLDZUYVADE-HNNXBMFYSA-N 1 0 360.479 4.227 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000441343365 1104300764 /nfs/dbraw/zinc/30/07/64/1104300764.db2.gz VZTGHFLAFVRMNX-OAQYLSRUSA-N 1 0 354.450 4.032 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000441396322 1104330371 /nfs/dbraw/zinc/33/03/71/1104330371.db2.gz BZUONFQOSBQQNH-KRWDZBQOSA-N 1 0 365.477 4.431 20 5 FIBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000170973624 1104788005 /nfs/dbraw/zinc/78/80/05/1104788005.db2.gz UEJOJSZGTLEQLO-LJQANCHMSA-N 1 0 373.500 4.479 20 5 FIBDRO C[C@H]([NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 ZINC000015504409 1105171626 /nfs/dbraw/zinc/17/16/26/1105171626.db2.gz UMDXDLHVVJFUKQ-KPZWWZAWSA-N 1 0 373.840 4.316 20 5 FIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000184840773 1105224528 /nfs/dbraw/zinc/22/45/28/1105224528.db2.gz FASFNDJTEQOIRH-GOSISDBHSA-N 1 0 369.465 4.172 20 5 FIBDRO CC(C)C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccs1 ZINC000507915248 1105265567 /nfs/dbraw/zinc/26/55/67/1105265567.db2.gz TXBOKCYVANVRSR-MRXNPFEDSA-N 1 0 362.451 4.400 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000450866086 1106763246 /nfs/dbraw/zinc/76/32/46/1106763246.db2.gz SSROZLGPWPAGRW-IMJJTQAJSA-N 1 0 370.371 4.051 20 5 FIBDRO COC(=O)c1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000451053905 1106909625 /nfs/dbraw/zinc/90/96/25/1106909625.db2.gz ITFGICJQMAJYPF-UHFFFAOYSA-N 1 0 362.813 4.060 20 5 FIBDRO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451108602 1106927207 /nfs/dbraw/zinc/92/72/07/1106927207.db2.gz XHRNMQOCSLBXFI-QWHCGFSZSA-N 1 0 361.829 4.234 20 5 FIBDRO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451102846 1106932809 /nfs/dbraw/zinc/93/28/09/1106932809.db2.gz FGXXGKDOBRUDPY-QWHCGFSZSA-N 1 0 361.829 4.234 20 5 FIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3nnc(-c4ccccc4)o3)C2)cc1 ZINC000451546391 1107166462 /nfs/dbraw/zinc/16/64/62/1107166462.db2.gz JFROACGATGQNEY-KRWDZBQOSA-N 1 0 364.405 4.024 20 5 FIBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2c2cc(C)ccc2C)c1 ZINC001168134159 1107431335 /nfs/dbraw/zinc/43/13/35/1107431335.db2.gz JFQYYLXVCFXILN-FQEVSTJZSA-N 1 0 368.433 4.335 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC001168135012 1107487911 /nfs/dbraw/zinc/48/79/11/1107487911.db2.gz UGGQEDIPZVOQQE-OAHLLOKOSA-N 1 0 358.438 4.151 20 5 FIBDRO CCCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C)c1ccccc1OC ZINC000444610616 1108018396 /nfs/dbraw/zinc/01/83/96/1108018396.db2.gz OWTMDRPXLGCGBA-AWEZNQCLSA-N 1 0 368.437 4.453 20 5 FIBDRO CC(C)[C@@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[NH+]1CCCC1 ZINC000520207393 1108022182 /nfs/dbraw/zinc/02/21/82/1108022182.db2.gz URLOEBLIBCPPDI-LJQANCHMSA-N 1 0 357.454 4.065 20 5 FIBDRO C[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000520213668 1108051658 /nfs/dbraw/zinc/05/16/58/1108051658.db2.gz KWQOERACMLRNST-LLVKDONJSA-N 1 0 374.384 4.380 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000531692571 1108059732 /nfs/dbraw/zinc/05/97/32/1108059732.db2.gz GUOGQNOTGANBRD-VQIMIIECSA-N 1 0 357.454 4.374 20 5 FIBDRO Cc1cccc([C@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237562232 1108063627 /nfs/dbraw/zinc/06/36/27/1108063627.db2.gz HBJFEXJPTILBDN-MRXNPFEDSA-N 1 0 364.449 4.197 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](CC3CCC3)c3ccccc3)nc2c1 ZINC000444669759 1108072629 /nfs/dbraw/zinc/07/26/29/1108072629.db2.gz FVTKWLVXSOGBBK-SFHVURJKSA-N 1 0 350.422 4.492 20 5 FIBDRO Cc1cc(C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)ccc1F ZINC000444736858 1108123052 /nfs/dbraw/zinc/12/30/52/1108123052.db2.gz POPQDDUJDBDIPQ-UHFFFAOYSA-N 1 0 369.396 4.372 20 5 FIBDRO CSc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000440615124 1108325591 /nfs/dbraw/zinc/32/55/91/1108325591.db2.gz BSJRRIJKLVABRK-KBPBESRZSA-N 1 0 373.478 4.303 20 5 FIBDRO CC[C@H]([NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H](O)C(F)F ZINC000453270703 1108344034 /nfs/dbraw/zinc/34/40/34/1108344034.db2.gz PIQCQJCDQFIGFH-RSAASHCRSA-N 1 0 370.421 4.379 20 5 FIBDRO CCC[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000453282842 1108359400 /nfs/dbraw/zinc/35/94/00/1108359400.db2.gz OIRVTEFUUOPZHJ-YJBOKZPZSA-N 1 0 361.486 4.050 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000531950498 1108436280 /nfs/dbraw/zinc/43/62/80/1108436280.db2.gz RVZOANBPELHXNZ-HZPDHXFCSA-N 1 0 357.429 4.219 20 5 FIBDRO CC[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000453383280 1108467417 /nfs/dbraw/zinc/46/74/17/1108467417.db2.gz SJDBAHSLBNOEDD-RDGPPVDQSA-N 1 0 372.469 4.029 20 5 FIBDRO CC1(C)C[C@H]([NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000453363763 1108479125 /nfs/dbraw/zinc/47/91/25/1108479125.db2.gz RIDIZQBBQYYQBU-RYGJVYDSSA-N 1 0 367.449 4.222 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CCc2ccc(C)cn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453406408 1108505070 /nfs/dbraw/zinc/50/50/70/1108505070.db2.gz CVMXLKBVQPTICI-NRFANRHFSA-N 1 0 365.433 4.375 20 5 FIBDRO Cc1cc(F)ccc1CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000532041737 1108575260 /nfs/dbraw/zinc/57/52/60/1108575260.db2.gz GZXKAYYVLJAKQZ-UHFFFAOYSA-N 1 0 371.437 4.498 20 5 FIBDRO CC1(C)C[C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000453573526 1108636086 /nfs/dbraw/zinc/63/60/86/1108636086.db2.gz AANJWELFVFHDAH-ZDUSSCGKSA-N 1 0 361.467 4.013 20 5 FIBDRO Cc1c([C@H](C)[NH2+]CCc2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000532187101 1108697120 /nfs/dbraw/zinc/69/71/20/1108697120.db2.gz FGYIJRNLQIZDCU-ZDUSSCGKSA-N 1 0 350.365 4.398 20 5 FIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000532199351 1108705700 /nfs/dbraw/zinc/70/57/00/1108705700.db2.gz DROPVDMHOBBDGB-KPZWWZAWSA-N 1 0 359.451 4.114 20 5 FIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](c1cccs1)C1CC1 ZINC000532201056 1108706070 /nfs/dbraw/zinc/70/60/70/1108706070.db2.gz CLFLFNGKVNWPKL-SGTLLEGYSA-N 1 0 359.451 4.114 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](c1c(F)cccc1F)N(C)C ZINC000532222261 1108722795 /nfs/dbraw/zinc/72/27/95/1108722795.db2.gz HCQBABULQQCXAR-UGSOOPFHSA-N 1 0 363.408 4.135 20 5 FIBDRO CC[NH+](CC)[C@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])CC(C)C ZINC000446044653 1109087207 /nfs/dbraw/zinc/08/72/07/1109087207.db2.gz VTTMYBLYPLGHPU-HNNXBMFYSA-N 1 0 369.893 4.043 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000446487102 1109240086 /nfs/dbraw/zinc/24/00/86/1109240086.db2.gz ZEOGRZUSDYBIJL-OAHLLOKOSA-N 1 0 370.453 4.154 20 5 FIBDRO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000446846210 1109363575 /nfs/dbraw/zinc/36/35/75/1109363575.db2.gz WUTPTZWLNJUQGM-IRXDYDNUSA-N 1 0 350.422 4.205 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(Oc2ccncc2C)CC1 ZINC000447058390 1109425931 /nfs/dbraw/zinc/42/59/31/1109425931.db2.gz HPTBCSUZFIFJTA-FOWTUZBSSA-N 1 0 367.449 4.245 20 5 FIBDRO Cc1cn2c(n1)[C@@H](C[NH2+]Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CCC2 ZINC000525695336 1109485922 /nfs/dbraw/zinc/48/59/22/1109485922.db2.gz RQXAWJHNFZPUMB-OAHLLOKOSA-N 1 0 366.421 4.027 20 5 FIBDRO COc1ccc2c(c1)[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)CCCS2 ZINC000525869447 1109538206 /nfs/dbraw/zinc/53/82/06/1109538206.db2.gz DGFJDCCJJOWTCQ-SFHVURJKSA-N 1 0 358.463 4.363 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCSc2ccccc2)n1 ZINC000447518755 1109559272 /nfs/dbraw/zinc/55/92/72/1109559272.db2.gz WTUYTHWROKGSIJ-SJORKVTESA-N 1 0 360.483 4.047 20 5 FIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2s1 ZINC000525951869 1109561390 /nfs/dbraw/zinc/56/13/90/1109561390.db2.gz DHYAVFIDEWWDFD-CYBMUJFWSA-N 1 0 369.446 4.489 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cccc(C(F)(F)F)c2)n1 ZINC000447513513 1109566310 /nfs/dbraw/zinc/56/63/10/1109566310.db2.gz WXMHGBMHZBAOQP-GJZGRUSLSA-N 1 0 368.359 4.084 20 5 FIBDRO CCO[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000447559214 1109580993 /nfs/dbraw/zinc/58/09/93/1109580993.db2.gz SJSSCVOPCKOTMB-CTNGQTDRSA-N 1 0 354.450 4.283 20 5 FIBDRO CC(C)c1ccccc1OCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447588951 1109587949 /nfs/dbraw/zinc/58/79/49/1109587949.db2.gz VYINYQKQRHVBIO-ROUUACIJSA-N 1 0 372.469 4.067 20 5 FIBDRO Cc1ccc(-c2nc(CC[NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])co2)cc1 ZINC000449112287 1109982744 /nfs/dbraw/zinc/98/27/44/1109982744.db2.gz QJZSWIWHXUSZRZ-MRXNPFEDSA-N 1 0 365.433 4.322 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN([C@@H](C)c2ccccc2)CC1 ZINC000449149187 1109985976 /nfs/dbraw/zinc/98/59/76/1109985976.db2.gz MLVOXXOWEWFSSN-ROUUACIJSA-N 1 0 367.493 4.341 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000449167564 1109991093 /nfs/dbraw/zinc/99/10/93/1109991093.db2.gz KIXPZPQMTIKREK-HOTGVXAUSA-N 1 0 350.422 4.062 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000449195141 1109992367 /nfs/dbraw/zinc/99/23/67/1109992367.db2.gz YQIAMFRNBWVMIR-HOTGVXAUSA-N 1 0 350.422 4.062 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000449260465 1110016913 /nfs/dbraw/zinc/01/69/13/1110016913.db2.gz XOUQNGBLAUGRNV-CJNGLKHVSA-N 1 0 352.356 4.462 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000449293421 1110025707 /nfs/dbraw/zinc/02/57/07/1110025707.db2.gz VKKCPWZZYYFRJK-ZJUUUORDSA-N 1 0 359.373 4.352 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC ZINC000449347751 1110036168 /nfs/dbraw/zinc/03/61/68/1110036168.db2.gz IQOQGDNIIYXLPM-NSHDSACASA-N 1 0 350.802 4.116 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC4(CC4)C3)o2)c(Br)c1 ZINC000449370318 1110045216 /nfs/dbraw/zinc/04/52/16/1110045216.db2.gz JNWNDILTUHGMLT-UHFFFAOYSA-N 1 0 363.211 4.213 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CC3(CC3)C2)cc1 ZINC000449371064 1110045519 /nfs/dbraw/zinc/04/55/19/1110045519.db2.gz PXGHINLIVGIWIU-UHFFFAOYSA-N 1 0 360.417 4.043 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC[C@H]3CCOC3)o2)c(Cl)c1 ZINC000449679761 1110144329 /nfs/dbraw/zinc/14/43/29/1110144329.db2.gz FLSFKQWBQRVWQV-ZDUSSCGKSA-N 1 0 364.829 4.415 20 5 FIBDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000449670216 1110146829 /nfs/dbraw/zinc/14/68/29/1110146829.db2.gz PHALIMHSGKQENW-CYBMUJFWSA-N 1 0 356.451 4.391 20 5 FIBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449759204 1110161337 /nfs/dbraw/zinc/16/13/37/1110161337.db2.gz ITXYGWWWPGLCKB-IAGOWNOFSA-N 1 0 361.467 4.156 20 5 FIBDRO C[C@@H](c1ccsc1)[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450446781 1110296314 /nfs/dbraw/zinc/29/63/14/1110296314.db2.gz QEWLEDCNWRMHSX-AWEZNQCLSA-N 1 0 368.462 4.088 20 5 FIBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1nc(-c2ccncc2)cs1 ZINC000538609433 1111219234 /nfs/dbraw/zinc/21/92/34/1111219234.db2.gz BMIYAHHGEUXLIC-SDQPKGBYSA-N 1 0 366.446 4.477 20 5 FIBDRO COc1cc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000538721073 1111261974 /nfs/dbraw/zinc/26/19/74/1111261974.db2.gz MIMIUDILAJAACG-ZFWWWQNUSA-N 1 0 374.412 4.129 20 5 FIBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000538738174 1111271518 /nfs/dbraw/zinc/27/15/18/1111271518.db2.gz DRFGHHJCASADIF-MAUKXSAKSA-N 1 0 357.454 4.159 20 5 FIBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000539049944 1111399466 /nfs/dbraw/zinc/39/94/66/1111399466.db2.gz CPPFXWAAMJVMEC-SNVBAGLBSA-N 1 0 355.257 4.312 20 5 FIBDRO C[C@@H]([NH2+]CCOc1ncc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000539060896 1111406821 /nfs/dbraw/zinc/40/68/21/1111406821.db2.gz JVFCWKIXLAVPAX-SNVBAGLBSA-N 1 0 356.209 4.026 20 5 FIBDRO COc1cc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000539257424 1111497362 /nfs/dbraw/zinc/49/73/62/1111497362.db2.gz UFNUGCUBMOIUHC-OAHLLOKOSA-N 1 0 358.438 4.284 20 5 FIBDRO CC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000539315371 1111509192 /nfs/dbraw/zinc/50/91/92/1111509192.db2.gz IDHIWJYPFRKKTK-MRXNPFEDSA-N 1 0 366.364 4.001 20 5 FIBDRO CCSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000539302094 1111512541 /nfs/dbraw/zinc/51/25/41/1111512541.db2.gz ZVZCGFRSEWXLTL-CQSZACIVSA-N 1 0 373.478 4.305 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(Cc1ccccc1)[C@H](C)O ZINC000477844184 1111571856 /nfs/dbraw/zinc/57/18/56/1111571856.db2.gz BCWDSUGTAHYZSE-KGVIQGDOSA-N 1 0 370.493 4.135 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000477943210 1111616170 /nfs/dbraw/zinc/61/61/70/1111616170.db2.gz GDFMRHLLHODHOY-LDQXTDLNSA-N 1 0 354.450 4.283 20 5 FIBDRO C[C@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000477945745 1111618121 /nfs/dbraw/zinc/61/81/21/1111618121.db2.gz YWHSSMAVSQSTHM-LBPRGKRZSA-N 1 0 369.343 4.128 20 5 FIBDRO Cc1cccc([C@H](C)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000552244921 1111635678 /nfs/dbraw/zinc/63/56/78/1111635678.db2.gz MVSCBVDLNCIGDZ-UZLBHIALSA-N 1 0 364.449 4.119 20 5 FIBDRO CCc1nc2c(s1)[C@H]([N@H+](C)CCOc1cccc([N+](=O)[O-])c1)CCC2 ZINC000478047015 1111664108 /nfs/dbraw/zinc/66/41/08/1111664108.db2.gz KVIFQAGGHKSSJP-MRXNPFEDSA-N 1 0 361.467 4.002 20 5 FIBDRO C[C@@H](O)CC[N@H+](C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000552300449 1111666008 /nfs/dbraw/zinc/66/60/08/1111666008.db2.gz HMDQQOQMNHRRGU-CYBMUJFWSA-N 1 0 364.829 4.243 20 5 FIBDRO Cn1cc(C[N@@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000552406907 1111697967 /nfs/dbraw/zinc/69/79/67/1111697967.db2.gz XCRVOCSAUXNJDT-ROUUACIJSA-N 1 0 354.454 4.006 20 5 FIBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000553510205 1111992247 /nfs/dbraw/zinc/99/22/47/1111992247.db2.gz XOOHAWZKTCPTBQ-FUHWJXTLSA-N 1 0 359.473 4.087 20 5 FIBDRO CCC(=O)c1ccc(NC[C@@H]([NH2+][C@H](C)CC)c2ccco2)c([N+](=O)[O-])c1 ZINC000553601132 1112025083 /nfs/dbraw/zinc/02/50/83/1112025083.db2.gz IYESXCLTUHGCJJ-CZUORRHYSA-N 1 0 359.426 4.322 20 5 FIBDRO Cc1c(C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)cccc1[N+](=O)[O-] ZINC000479464433 1112034367 /nfs/dbraw/zinc/03/43/67/1112034367.db2.gz VCWBOWCLNBUOJS-IBGZPJMESA-N 1 0 362.433 4.256 20 5 FIBDRO CCC(=O)c1ccc(NC[C@H](c2ccco2)[NH+](CC)CC)c([N+](=O)[O-])c1 ZINC000479965502 1112216653 /nfs/dbraw/zinc/21/66/53/1112216653.db2.gz WVIROHFMDKCHRX-QGZVFWFLSA-N 1 0 359.426 4.276 20 5 FIBDRO Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000480065134 1112256424 /nfs/dbraw/zinc/25/64/24/1112256424.db2.gz JJCDWNONTJBRLM-HNNXBMFYSA-N 1 0 352.438 4.302 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@H](c2ccco2)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000480096757 1112284885 /nfs/dbraw/zinc/28/48/85/1112284885.db2.gz RUWLJQYCTVWICA-QFBILLFUSA-N 1 0 357.454 4.374 20 5 FIBDRO Cc1c(C[NH2+]Cc2cn(C)nc2-c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000480448430 1112433711 /nfs/dbraw/zinc/43/37/11/1112433711.db2.gz WJRYCDDQVDAGIX-UHFFFAOYSA-N 1 0 370.840 4.247 20 5 FIBDRO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000481304156 1112878090 /nfs/dbraw/zinc/87/80/90/1112878090.db2.gz DAFXQVZQUYZJQA-GUYCJALGSA-N 1 0 359.495 4.314 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)cs2)c1 ZINC000600188161 1112915340 /nfs/dbraw/zinc/91/53/40/1112915340.db2.gz DWFNHJKFMAOISI-CVEARBPZSA-N 1 0 361.492 4.188 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCO[C@H](CCF)C3)o2)c(Cl)c1 ZINC000600203917 1112927254 /nfs/dbraw/zinc/92/72/54/1112927254.db2.gz GAKPHAYBEIHDHR-CYBMUJFWSA-N 1 0 368.792 4.069 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000555596835 1112942091 /nfs/dbraw/zinc/94/20/91/1112942091.db2.gz QEJOOQLAPANYKT-HYXAFXHYSA-N 1 0 370.424 4.129 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000555626559 1112948435 /nfs/dbraw/zinc/94/84/35/1112948435.db2.gz MUKXBCSGSOLMHG-KBPBESRZSA-N 1 0 354.385 4.331 20 5 FIBDRO CC1(C)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]2CCC[C@H]21 ZINC000555721351 1112978582 /nfs/dbraw/zinc/97/85/82/1112978582.db2.gz LNMNNRVKNBLXBB-IAGOWNOFSA-N 1 0 355.438 4.303 20 5 FIBDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](CCC)c2cccc([N+](=O)[O-])c2)c1 ZINC000160605500 1113414813 /nfs/dbraw/zinc/41/48/13/1113414813.db2.gz TZADOVDCCNKBAN-FQEVSTJZSA-N 1 0 369.465 4.366 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](c2c(F)cccc2F)N(C)C)cccc1[N+](=O)[O-] ZINC000483144092 1113452858 /nfs/dbraw/zinc/45/28/58/1113452858.db2.gz QYDBZZBWVTZHPC-ACJLOTCBSA-N 1 0 363.408 4.135 20 5 FIBDRO CCC[C@H](O)C[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000489075837 1114042225 /nfs/dbraw/zinc/04/22/25/1114042225.db2.gz WXMOILQQWBSYRQ-INIZCTEOSA-N 1 0 360.479 4.305 20 5 FIBDRO CCC[C@@H](O)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000489094419 1114049226 /nfs/dbraw/zinc/04/92/26/1114049226.db2.gz JDLRMGZSIWEJQB-OAHLLOKOSA-N 1 0 364.829 4.291 20 5 FIBDRO COc1cc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)ccc1[N+](=O)[O-] ZINC000489233859 1114074596 /nfs/dbraw/zinc/07/45/96/1114074596.db2.gz QPHKOGLCVIBHLQ-UHFFFAOYSA-N 1 0 370.449 4.032 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(Br)c(F)c1 ZINC000570985652 1114426436 /nfs/dbraw/zinc/42/64/36/1114426436.db2.gz MBTMJFYCTYBQQC-OAHLLOKOSA-N 1 0 365.202 4.274 20 5 FIBDRO C[C@@H](c1ccc(OC(F)F)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000571392223 1114461211 /nfs/dbraw/zinc/46/12/11/1114461211.db2.gz PHYGZPRENZEEBD-LBPRGKRZSA-N 1 0 364.348 4.152 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)CCC2 ZINC000192980489 1114501654 /nfs/dbraw/zinc/50/16/54/1114501654.db2.gz CFFIIYMPROOIMN-SFHVURJKSA-N 1 0 362.376 4.406 20 5 FIBDRO CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000056157027 1114615992 /nfs/dbraw/zinc/61/59/92/1114615992.db2.gz DTYSBUCJYRWLQL-GJZGRUSLSA-N 1 0 371.437 4.060 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000056197413 1114658337 /nfs/dbraw/zinc/65/83/37/1114658337.db2.gz GQFYMTPSCQKMET-MNOVXSKESA-N 1 0 365.792 4.065 20 5 FIBDRO CCOc1ccccc1[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588959284 1114681240 /nfs/dbraw/zinc/68/12/40/1114681240.db2.gz VIJQCRSKJAXDIA-AWEZNQCLSA-N 1 0 353.422 4.368 20 5 FIBDRO COc1cccc([C@H](CNc2ccc(C(F)F)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000589103585 1114696726 /nfs/dbraw/zinc/69/67/26/1114696726.db2.gz NUEZJWUYEAPNFY-KRWDZBQOSA-N 1 0 365.380 4.256 20 5 FIBDRO O=[N+]([O-])c1ccsc1N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000590061472 1114891472 /nfs/dbraw/zinc/89/14/72/1114891472.db2.gz DBQXIVSJEHFCEZ-UHFFFAOYSA-N 1 0 357.479 4.149 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1cccc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000057555218 1114949406 /nfs/dbraw/zinc/94/94/06/1114949406.db2.gz KAOXWIWKBMVVBN-HUUCEWRRSA-N 1 0 363.417 4.426 20 5 FIBDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000573046422 1115003078 /nfs/dbraw/zinc/00/30/78/1115003078.db2.gz ZLBDKVFQWRUARH-IRXDYDNUSA-N 1 0 367.449 4.110 20 5 FIBDRO CCc1ccc([C@@H](N[C@H]2CC[NH2+]C3(CCC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000591582546 1115109458 /nfs/dbraw/zinc/10/94/58/1115109458.db2.gz KAAOHGMACATAMH-JXFKEZNVSA-N 1 0 369.465 4.104 20 5 FIBDRO Cc1cc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c(C)s1 ZINC000129746827 1115199316 /nfs/dbraw/zinc/19/93/16/1115199316.db2.gz DAHHUOFXVREADE-NSHDSACASA-N 1 0 365.430 4.092 20 5 FIBDRO COC[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(Cl)c1 ZINC000574370681 1115357816 /nfs/dbraw/zinc/35/78/16/1115357816.db2.gz YNOMXQYZWVALAT-LJQANCHMSA-N 1 0 373.840 4.249 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000226514725 1115391314 /nfs/dbraw/zinc/39/13/14/1115391314.db2.gz URCZDPZBQYBLHH-YPMHNXCESA-N 1 0 363.767 4.306 20 5 FIBDRO COc1cncc(/C=C\CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000574515300 1115417093 /nfs/dbraw/zinc/41/70/93/1115417093.db2.gz VRWUFGWOAKYONI-XQRVVYSFSA-N 1 0 353.422 4.066 20 5 FIBDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000594518525 1115458692 /nfs/dbraw/zinc/45/86/92/1115458692.db2.gz HHQRMGZFQMDXFI-OALUTQOASA-N 1 0 368.433 4.484 20 5 FIBDRO CCCOCc1ccccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595015838 1115504209 /nfs/dbraw/zinc/50/42/09/1115504209.db2.gz HRBDTFQTQKBKQG-OAHLLOKOSA-N 1 0 358.438 4.381 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000595023921 1115505179 /nfs/dbraw/zinc/50/51/79/1115505179.db2.gz ZZVAAIVGQPHYAI-BEFAXECRSA-N 1 0 372.465 4.056 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000595004671 1115507628 /nfs/dbraw/zinc/50/76/28/1115507628.db2.gz RFLYMOLLRKGPRJ-NSHDSACASA-N 1 0 352.337 4.056 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000595061612 1115508385 /nfs/dbraw/zinc/50/83/85/1115508385.db2.gz SIOXVMKGBMGQBC-CQSZACIVSA-N 1 0 354.332 4.035 20 5 FIBDRO COC[C@@H](CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)OC ZINC000595062237 1115508779 /nfs/dbraw/zinc/50/87/79/1115508779.db2.gz ULRNUDZWCIDUKN-ZIAGYGMSSA-N 1 0 364.467 4.025 20 5 FIBDRO CCC[C@H]([NH2+][C@@H](COC)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000595069814 1115509784 /nfs/dbraw/zinc/50/97/84/1115509784.db2.gz SIVWGSMYXCRURN-PMACEKPBSA-N 1 0 358.438 4.422 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000595032618 1115510656 /nfs/dbraw/zinc/51/06/56/1115510656.db2.gz OBHSMDTVRCLEKK-ZSZQSSIHSA-N 1 0 356.422 4.174 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCN(C)c2ccccc21 ZINC000595052642 1115512543 /nfs/dbraw/zinc/51/25/43/1115512543.db2.gz SIAIBJTXRBUTKA-RDTXWAMCSA-N 1 0 355.438 4.225 20 5 FIBDRO CCC[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000595089058 1115517512 /nfs/dbraw/zinc/51/75/12/1115517512.db2.gz XYGMTMPOEAPJMO-VDGAXYAQSA-N 1 0 356.470 4.171 20 5 FIBDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000575026888 1115530325 /nfs/dbraw/zinc/53/03/25/1115530325.db2.gz FCZCDGDHHFVNIU-RHSMWYFYSA-N 1 0 356.422 4.195 20 5 FIBDRO Cc1noc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000595451052 1115537558 /nfs/dbraw/zinc/53/75/58/1115537558.db2.gz QSJIMUTWALTKMH-GXTWGEPZSA-N 1 0 369.343 4.336 20 5 FIBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](CC2CC2)c2ccccc2)c1 ZINC000593020613 1115538438 /nfs/dbraw/zinc/53/84/38/1115538438.db2.gz QECHYLZEQRGZQE-GOSISDBHSA-N 1 0 354.406 4.012 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595508749 1115539387 /nfs/dbraw/zinc/53/93/87/1115539387.db2.gz KRSLSKCLJVELEU-KRWDZBQOSA-N 1 0 353.466 4.218 20 5 FIBDRO CC(C)n1cc(C2=CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000595518285 1115539982 /nfs/dbraw/zinc/53/99/82/1115539982.db2.gz UNRRMYFZJVKNSF-HNNXBMFYSA-N 1 0 355.442 4.008 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3CC3CCC3)o2)cc1 ZINC000595866171 1115564882 /nfs/dbraw/zinc/56/48/82/1115564882.db2.gz FUFWVJFYDMBQTL-QGZVFWFLSA-N 1 0 356.426 4.190 20 5 FIBDRO Cc1cc(N2CCC[C@H]([C@@H]3CCCCO3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596506749 1115595807 /nfs/dbraw/zinc/59/58/07/1115595807.db2.gz SWBPYOXLTHENHT-YWZLYKJASA-N 1 0 355.438 4.237 20 5 FIBDRO CC[C@H](C)[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000060471675 1115645146 /nfs/dbraw/zinc/64/51/46/1115645146.db2.gz BKRSTQIIJNWNIG-INIZCTEOSA-N 1 0 355.438 4.142 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000597217317 1115648523 /nfs/dbraw/zinc/64/85/23/1115648523.db2.gz CCNUMFMZKYYEOH-ZRNYNZGJSA-N 1 0 368.433 4.445 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2CC2CCCCC2)c2c(c1)COCO2 ZINC000060892980 1115725572 /nfs/dbraw/zinc/72/55/72/1115725572.db2.gz WKJRESVPVXXGKR-GOSISDBHSA-N 1 0 360.454 4.396 20 5 FIBDRO CCC1([NH+]2CCCC2)CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000602880453 1115730501 /nfs/dbraw/zinc/73/05/01/1115730501.db2.gz ACZQPOQZGMADCX-UHFFFAOYSA-N 1 0 374.485 4.084 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CC[C@H]2CC2(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000598679024 1115744038 /nfs/dbraw/zinc/74/40/38/1115744038.db2.gz CXKGKIMYJGBSJE-SUMWQHHRSA-N 1 0 350.365 4.475 20 5 FIBDRO O=C(CC[C@@H]1CCC[NH2+]C1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000598666822 1115745367 /nfs/dbraw/zinc/74/53/67/1115745367.db2.gz YFGXYHARAXNTMC-HNNXBMFYSA-N 1 0 369.421 4.105 20 5 FIBDRO C[NH+](C)C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000598998120 1115775927 /nfs/dbraw/zinc/77/59/27/1115775927.db2.gz NQUAIMSVSNLRGY-QGZVFWFLSA-N 1 0 368.264 4.294 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1[N+](=O)[O-] ZINC000061110785 1115776955 /nfs/dbraw/zinc/77/69/55/1115776955.db2.gz WSIUOUIRPQSESR-AWEZNQCLSA-N 1 0 367.449 4.454 20 5 FIBDRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000599036386 1115780461 /nfs/dbraw/zinc/78/04/61/1115780461.db2.gz QBUAVIKRZBEVMC-SNVBAGLBSA-N 1 0 373.762 4.383 20 5 FIBDRO COc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000593674415 1115787978 /nfs/dbraw/zinc/78/79/78/1115787978.db2.gz SJXJOHQIQKVKNW-HNNXBMFYSA-N 1 0 360.385 4.135 20 5 FIBDRO O=[N+]([O-])c1ccc(NCc2cccc(C[NH+]3CCCC3)c2)c2ncccc12 ZINC000603580103 1115795738 /nfs/dbraw/zinc/79/57/38/1115795738.db2.gz LNKMULGOOXYJDR-UHFFFAOYSA-N 1 0 362.433 4.351 20 5 FIBDRO CCC[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000593720793 1115804073 /nfs/dbraw/zinc/80/40/73/1115804073.db2.gz DFTJAVKPSUTFBM-RLLQIKCJSA-N 1 0 355.438 4.341 20 5 FIBDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]2CCCC[C@@H]12 ZINC000603846836 1115820752 /nfs/dbraw/zinc/82/07/52/1115820752.db2.gz CXDPQLUKNNYLJA-XOKHGSTOSA-N 1 0 356.426 4.045 20 5 FIBDRO Cc1c(C[NH+]2CCC(Cc3nc(C4CCC4)no3)CC2)cccc1[N+](=O)[O-] ZINC000599641311 1115833292 /nfs/dbraw/zinc/83/32/92/1115833292.db2.gz MWBWAHLECZOCHF-UHFFFAOYSA-N 1 0 370.453 4.008 20 5 FIBDRO CCC[C@H](NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000604044308 1115845735 /nfs/dbraw/zinc/84/57/35/1115845735.db2.gz GLXDXSSRWYDICJ-YRNRMSPPSA-N 1 0 369.465 4.292 20 5 FIBDRO CC(C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000604124985 1115850442 /nfs/dbraw/zinc/85/04/42/1115850442.db2.gz QYYXQVJSPBCESS-UHFFFAOYSA-N 1 0 363.255 4.425 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]CCn3cccn3)cc2[N+](=O)[O-])cc1 ZINC000604125498 1115852938 /nfs/dbraw/zinc/85/29/38/1115852938.db2.gz WKGKXAIPJYRNGJ-UHFFFAOYSA-N 1 0 368.462 4.041 20 5 FIBDRO Cc1c(NC(=O)CC[N@H+](Cc2ccc(F)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000604492273 1115867583 /nfs/dbraw/zinc/86/75/83/1115867583.db2.gz NMUIHVIYPDFQLP-UHFFFAOYSA-N 1 0 373.428 4.282 20 5 FIBDRO COc1cccc(C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC(C)C)c1 ZINC000604494597 1115868097 /nfs/dbraw/zinc/86/80/97/1115868097.db2.gz CMLZUBWRZPXYDV-UHFFFAOYSA-N 1 0 358.438 4.270 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOc3ccccc3F)o2)cc1 ZINC000608835545 1116130949 /nfs/dbraw/zinc/13/09/49/1116130949.db2.gz VOAWMFLOUQQCCX-UHFFFAOYSA-N 1 0 356.353 4.163 20 5 FIBDRO COc1ccccc1CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000608835487 1116130963 /nfs/dbraw/zinc/13/09/63/1116130963.db2.gz NBRPTXFYCDCHRV-UHFFFAOYSA-N 1 0 352.390 4.196 20 5 FIBDRO C[C@H]1CCCN(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000608836240 1116131149 /nfs/dbraw/zinc/13/11/49/1116131149.db2.gz RYTWODQWODANIO-HNNXBMFYSA-N 1 0 359.495 4.145 20 5 FIBDRO C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000089600487 1116159184 /nfs/dbraw/zinc/15/91/84/1116159184.db2.gz LDFNFBFXURZTAO-UONOGXRCSA-N 1 0 352.394 4.099 20 5 FIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000456267344 1116172954 /nfs/dbraw/zinc/17/29/54/1116172954.db2.gz IRQLXUWRGFLPQE-QGZVFWFLSA-N 1 0 371.462 4.118 20 5 FIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456293242 1116175031 /nfs/dbraw/zinc/17/50/31/1116175031.db2.gz CBXLYPDXQAMPCE-MRXNPFEDSA-N 1 0 373.840 4.358 20 5 FIBDRO CC(C)[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000534499536 1116207902 /nfs/dbraw/zinc/20/79/02/1116207902.db2.gz DEQFRKQEVIPTBL-UHFFFAOYSA-N 1 0 359.392 4.170 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000152693017 1116237385 /nfs/dbraw/zinc/23/73/85/1116237385.db2.gz BWHTZOSDLGYCBI-GFCCVEGCSA-N 1 0 366.364 4.446 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)CC)c2)cc1[N+](=O)[O-] ZINC000535065378 1116264292 /nfs/dbraw/zinc/26/42/92/1116264292.db2.gz OHISWGOIECYJQW-AWEZNQCLSA-N 1 0 371.437 4.193 20 5 FIBDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000535207645 1116281411 /nfs/dbraw/zinc/28/14/11/1116281411.db2.gz SUZONTRMMMLYQG-KRWDZBQOSA-N 1 0 368.412 4.057 20 5 FIBDRO C[C@H](Cc1ccccc1Br)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000539522574 1116337649 /nfs/dbraw/zinc/33/76/49/1116337649.db2.gz PNERZJMQNGWGSP-SNVBAGLBSA-N 1 0 355.257 4.140 20 5 FIBDRO C[C@H]1C[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000539545886 1116341856 /nfs/dbraw/zinc/34/18/56/1116341856.db2.gz SSNURSJIVCYCHU-STQMWFEESA-N 1 0 364.829 4.413 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000152867402 1116359388 /nfs/dbraw/zinc/35/93/88/1116359388.db2.gz ISBIVSUCBLSAQL-SJORKVTESA-N 1 0 369.465 4.171 20 5 FIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000462764309 1117755582 /nfs/dbraw/zinc/75/55/82/1117755582.db2.gz FOIOGHKDLAEYRW-SFHVURJKSA-N 1 0 369.465 4.172 20 5 FIBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000462786828 1117770947 /nfs/dbraw/zinc/77/09/47/1117770947.db2.gz CKDGUKIPQHRYBM-KBPBESRZSA-N 1 0 371.428 4.366 20 5 FIBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[N@H+](C)Cc1ccccc1 ZINC000462841410 1117799878 /nfs/dbraw/zinc/79/98/78/1117799878.db2.gz PDYROLGLIGRKQT-ZDUSSCGKSA-N 1 0 365.380 4.129 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000462847053 1117817407 /nfs/dbraw/zinc/81/74/07/1117817407.db2.gz XWOUWPJPMNDJJW-HLLBOEOZSA-N 1 0 350.484 4.013 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)c1 ZINC000462875386 1117834506 /nfs/dbraw/zinc/83/45/06/1117834506.db2.gz RKRXPZSVWXYMFE-KOMQPUFPSA-N 1 0 361.239 4.393 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000462906032 1117851641 /nfs/dbraw/zinc/85/16/41/1117851641.db2.gz JUBRJYUGPXAXAL-QIPHDZALSA-N 1 0 369.440 4.253 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCOc2c(F)ccc(F)c21)C1CC1 ZINC000462948609 1117878745 /nfs/dbraw/zinc/87/87/45/1117878745.db2.gz WPABXZWWYYQFAD-SJORKVTESA-N 1 0 374.387 4.308 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000462963709 1117884678 /nfs/dbraw/zinc/88/46/78/1117884678.db2.gz ICLVBSRVAFZHSS-BLLLJJGKSA-N 1 0 362.376 4.308 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000540152233 1117906025 /nfs/dbraw/zinc/90/60/25/1117906025.db2.gz SGTVJPJVGZBXQS-WBMJQRKESA-N 1 0 368.355 4.306 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]CCOc2cccc(C(F)(F)F)n2)cccc1[N+](=O)[O-] ZINC000540154677 1117908091 /nfs/dbraw/zinc/90/80/91/1117908091.db2.gz XTAHAEGTAUYXBS-GFCCVEGCSA-N 1 0 369.343 4.047 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)c1nc(-c2ccccc2)no1 ZINC000540154329 1117908129 /nfs/dbraw/zinc/90/81/29/1117908129.db2.gz YRFBMTOIKXBRFO-LSDHHAIUSA-N 1 0 366.421 4.408 20 5 FIBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccncc2)cc1 ZINC000540168198 1117911746 /nfs/dbraw/zinc/91/17/46/1117911746.db2.gz DKBCSTUNGNAUNA-INIZCTEOSA-N 1 0 363.417 4.386 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)cc1[N+](=O)[O-] ZINC000540177118 1117916756 /nfs/dbraw/zinc/91/67/56/1117916756.db2.gz XZYAGDYKCKEORU-QGZVFWFLSA-N 1 0 356.422 4.224 20 5 FIBDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000540328225 1117993985 /nfs/dbraw/zinc/99/39/85/1117993985.db2.gz NDUJOZVTNRJWEK-OAHLLOKOSA-N 1 0 371.437 4.061 20 5 FIBDRO COc1ccc(OCC[NH2+][C@H](C)c2ccc(OC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000540361436 1118015545 /nfs/dbraw/zinc/01/55/45/1118015545.db2.gz FTDSGRUFIPMWKR-OAHLLOKOSA-N 1 0 374.437 4.120 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000540468080 1118082880 /nfs/dbraw/zinc/08/28/80/1118082880.db2.gz HXDNJABSKBIWCX-NONVJHHQSA-N 1 0 362.495 4.013 20 5 FIBDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3csc([N+](=O)[O-])c3)c2C1 ZINC000076171026 1118133924 /nfs/dbraw/zinc/13/39/24/1118133924.db2.gz NKHFJTPBDASYMT-UHFFFAOYSA-N 1 0 359.451 4.270 20 5 FIBDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000540607269 1118147473 /nfs/dbraw/zinc/14/74/73/1118147473.db2.gz MJISXAWQTQTEJY-MDOVXXIYSA-N 1 0 360.429 4.421 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463433791 1118153244 /nfs/dbraw/zinc/15/32/44/1118153244.db2.gz YJESBRCOWWQDAB-GCJKJVERSA-N 1 0 368.477 4.281 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463433792 1118153411 /nfs/dbraw/zinc/15/34/11/1118153411.db2.gz YJESBRCOWWQDAB-PGRDOPGGSA-N 1 0 368.477 4.281 20 5 FIBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000540628861 1118158787 /nfs/dbraw/zinc/15/87/87/1118158787.db2.gz DWSKHYPLUZNHPA-RYUDHWBXSA-N 1 0 350.802 4.165 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)c(Cl)c1 ZINC000541538793 1118546772 /nfs/dbraw/zinc/54/67/72/1118546772.db2.gz XHTCLAGFRJWMSY-QGZVFWFLSA-N 1 0 363.845 4.158 20 5 FIBDRO CO[C@@H](C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(C)C ZINC000465005582 1118787066 /nfs/dbraw/zinc/78/70/66/1118787066.db2.gz YPENOHXBWPJVOC-FQEVSTJZSA-N 1 0 357.454 4.123 20 5 FIBDRO Cc1ccc([C@H]2CC[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000542319693 1118903919 /nfs/dbraw/zinc/90/39/19/1118903919.db2.gz LHGRTYNPSVKJCF-SFHVURJKSA-N 1 0 367.449 4.030 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(C)(C)O ZINC000549907403 1118969454 /nfs/dbraw/zinc/96/94/54/1118969454.db2.gz GECBCQXGOSKQQI-GOSISDBHSA-N 1 0 362.401 4.165 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](C)c2cc(Br)cs2)cc1[N+](=O)[O-] ZINC000491962921 1118998829 /nfs/dbraw/zinc/99/88/29/1118998829.db2.gz XONCMBYDYGBYCT-VIFPVBQESA-N 1 0 371.256 4.278 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000153128566 1119000652 /nfs/dbraw/zinc/00/06/52/1119000652.db2.gz IADHNXDJJKHNOT-MRXNPFEDSA-N 1 0 369.465 4.313 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000492350852 1119073568 /nfs/dbraw/zinc/07/35/68/1119073568.db2.gz KGGBXJPZYPZMEC-AWEZNQCLSA-N 1 0 358.463 4.281 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000492582041 1119136412 /nfs/dbraw/zinc/13/64/12/1119136412.db2.gz UZRRAYNHOKNHHM-CQSZACIVSA-N 1 0 358.463 4.281 20 5 FIBDRO CCOc1cc(C[NH2+][C@@H](CC)c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000492609354 1119140224 /nfs/dbraw/zinc/14/02/24/1119140224.db2.gz STMZXCRMKUACDX-INIZCTEOSA-N 1 0 372.421 4.006 20 5 FIBDRO Cc1nc(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)sc1C ZINC000122609928 1119167177 /nfs/dbraw/zinc/16/71/77/1119167177.db2.gz WIVKTISLRAERAJ-UHFFFAOYSA-N 1 0 374.491 4.124 20 5 FIBDRO CCOc1cc(C[N@H+](CCOC)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492718783 1119172591 /nfs/dbraw/zinc/17/25/91/1119172591.db2.gz BVJWJDRXARGYFG-MRXNPFEDSA-N 1 0 358.438 4.203 20 5 FIBDRO CCOc1cc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)ccc1[N+](=O)[O-] ZINC000492722168 1119176047 /nfs/dbraw/zinc/17/60/47/1119176047.db2.gz MLUXZJMQRQWBPG-CQSZACIVSA-N 1 0 374.437 4.170 20 5 FIBDRO CCOc1cc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000492723061 1119176184 /nfs/dbraw/zinc/17/61/84/1119176184.db2.gz PIHXFQWZGRNGGX-UHFFFAOYSA-N 1 0 373.428 4.209 20 5 FIBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2OC)ccc1[N+](=O)[O-] ZINC000492768384 1119183596 /nfs/dbraw/zinc/18/35/96/1119183596.db2.gz ISPLQOVXKRBHJV-QGZVFWFLSA-N 1 0 356.422 4.339 20 5 FIBDRO Cc1nc(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000493227560 1119353555 /nfs/dbraw/zinc/35/35/55/1119353555.db2.gz KHQBFKSFEMXCRM-FQEVSTJZSA-N 1 0 351.406 4.121 20 5 FIBDRO CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761528570 1119410533 /nfs/dbraw/zinc/41/05/33/1119410533.db2.gz XALWWJMOBPUFJC-UHFFFAOYSA-N 1 0 368.861 4.238 20 5 FIBDRO Cc1ccc([C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)N2CCCC2)o1 ZINC000761531168 1119411300 /nfs/dbraw/zinc/41/13/00/1119411300.db2.gz BXWQWKGYRWMOJT-KRWDZBQOSA-N 1 0 363.845 4.076 20 5 FIBDRO CC(C)(C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000493419349 1119456879 /nfs/dbraw/zinc/45/68/79/1119456879.db2.gz YSISUKCYSUJCIS-UHFFFAOYSA-N 1 0 367.449 4.107 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000152703036 1119487120 /nfs/dbraw/zinc/48/71/20/1119487120.db2.gz XJOVKXPLYMLBMT-YVEFUNNKSA-N 1 0 364.829 4.031 20 5 FIBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000494469293 1119871191 /nfs/dbraw/zinc/87/11/91/1119871191.db2.gz BVPZHVQAGLGGSD-LBPRGKRZSA-N 1 0 368.355 4.343 20 5 FIBDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CC2 ZINC000494471269 1119873444 /nfs/dbraw/zinc/87/34/44/1119873444.db2.gz MCVDCQKKJMJRNB-KRWDZBQOSA-N 1 0 366.339 4.399 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CC(C)(C)C[C@@H](C)O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542495128 1120088867 /nfs/dbraw/zinc/08/88/67/1120088867.db2.gz RWPIFRYABQNMNZ-AUUYWEPGSA-N 1 0 360.454 4.226 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CCc2ccc(O)cc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542500706 1120230715 /nfs/dbraw/zinc/23/07/15/1120230715.db2.gz RHDXDWFTKFMTTI-NRFANRHFSA-N 1 0 366.417 4.378 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)CCC2 ZINC000193070728 1120352998 /nfs/dbraw/zinc/35/29/98/1120352998.db2.gz HHTHTUJQRRZOEY-AABGKKOBSA-N 1 0 374.387 4.370 20 5 FIBDRO CC(C)[C@@H](O)C1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000494968828 1120407751 /nfs/dbraw/zinc/40/77/51/1120407751.db2.gz LGLHXQWBGDKJJB-WOJBJXKFSA-N 1 0 354.450 4.071 20 5 FIBDRO C[C@H](C1CC1)[NH+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc([N+](=O)[O-])c1 ZINC000914867083 1120605486 /nfs/dbraw/zinc/60/54/86/1120605486.db2.gz SAMPCRLMEGTDLW-CQSZACIVSA-N 1 0 355.394 4.304 20 5 FIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2n1C ZINC000495421982 1120799485 /nfs/dbraw/zinc/79/94/85/1120799485.db2.gz XAFNYBLXRJRFGK-LBPRGKRZSA-N 1 0 358.829 4.028 20 5 FIBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)s1 ZINC000542558036 1120829929 /nfs/dbraw/zinc/82/99/29/1120829929.db2.gz XTYQNEVNLKDHBC-GFCCVEGCSA-N 1 0 367.858 4.298 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000915211486 1120870230 /nfs/dbraw/zinc/87/02/30/1120870230.db2.gz UEZVYKJBXBWCKE-VIFPVBQESA-N 1 0 363.767 4.163 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+](Cc2cccs2)Cc2cccs2)c1 ZINC000153681019 1121020393 /nfs/dbraw/zinc/02/03/93/1121020393.db2.gz IRNJSRZKGMZWHO-SFHVURJKSA-N 1 0 374.487 4.454 20 5 FIBDRO COc1ccc(C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC(F)F ZINC000026453281 1121091451 /nfs/dbraw/zinc/09/14/51/1121091451.db2.gz UXMAPKHEWHWIOA-GFCCVEGCSA-N 1 0 366.364 4.398 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CC)c2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000154065447 1121551429 /nfs/dbraw/zinc/55/14/29/1121551429.db2.gz NQMIEPFPMYPVPF-MLGOLLRUSA-N 1 0 360.458 4.146 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)ccc1Cl ZINC000154166791 1121840714 /nfs/dbraw/zinc/84/07/14/1121840714.db2.gz ICUQQEZKQYFWMB-CZUORRHYSA-N 1 0 366.870 4.398 20 5 FIBDRO CC(C)(C)CN(CC(C)(C)C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000553364989 1122078822 /nfs/dbraw/zinc/07/88/22/1122078822.db2.gz GTZZEABEOXKPFG-UHFFFAOYSA-N 1 0 372.469 4.315 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000765820478 1122158945 /nfs/dbraw/zinc/15/89/45/1122158945.db2.gz YDFWNGGLDMWYJN-KUHUBIRLSA-N 1 0 362.857 4.067 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000917134000 1122190898 /nfs/dbraw/zinc/19/08/98/1122190898.db2.gz LSXHFQMDVPPMAB-INIZCTEOSA-N 1 0 365.433 4.464 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000301510030 1122193016 /nfs/dbraw/zinc/19/30/16/1122193016.db2.gz DXNNHVSAUJQYRD-UZLBHIALSA-N 1 0 369.465 4.064 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000301510027 1122193140 /nfs/dbraw/zinc/19/31/40/1122193140.db2.gz DXNNHVSAUJQYRD-JXFKEZNVSA-N 1 0 369.465 4.064 20 5 FIBDRO COc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301520572 1122199541 /nfs/dbraw/zinc/19/95/41/1122199541.db2.gz FIYQJCWRHSELJA-MAUKXSAKSA-N 1 0 355.438 4.068 20 5 FIBDRO Cc1ccc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c([N+](=O)[O-])c1 ZINC000301599893 1122229321 /nfs/dbraw/zinc/22/93/21/1122229321.db2.gz YOJMMCQFPMQIFI-QGZVFWFLSA-N 1 0 369.465 4.215 20 5 FIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])cc2)C1 ZINC000154329069 1122234409 /nfs/dbraw/zinc/23/44/09/1122234409.db2.gz GJQMSIYZHJXOFL-CQSZACIVSA-N 1 0 371.412 4.218 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2c(-c3ccccc3)nc3sccn32)cc1 ZINC000917437991 1122304619 /nfs/dbraw/zinc/30/46/19/1122304619.db2.gz SGTQQZWJSIDLDS-UHFFFAOYSA-N 1 0 364.430 4.261 20 5 FIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000553859143 1122309715 /nfs/dbraw/zinc/30/97/15/1122309715.db2.gz MBWVGPCBFYEVPD-CYBMUJFWSA-N 1 0 373.840 4.244 20 5 FIBDRO Cc1ccc(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000542709033 1122311012 /nfs/dbraw/zinc/31/10/12/1122311012.db2.gz GECWAOKPVYBTOW-AZUAARDMSA-N 1 0 358.413 4.394 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000497950255 1122485897 /nfs/dbraw/zinc/48/58/97/1122485897.db2.gz MSIJUJJRLKBIFK-UHFFFAOYSA-N 1 0 353.422 4.141 20 5 FIBDRO CC(C)(CO)[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000556078148 1122640559 /nfs/dbraw/zinc/64/05/59/1122640559.db2.gz BPECLYUMWWUPLJ-NHCUHLMSSA-N 1 0 368.477 4.364 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H](O)C(F)(F)F ZINC000498373319 1122756300 /nfs/dbraw/zinc/75/63/00/1122756300.db2.gz NCMKSQLAIOTBGK-IUODEOHRSA-N 1 0 374.384 4.115 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000556230665 1122757147 /nfs/dbraw/zinc/75/71/47/1122757147.db2.gz AEAXUQQJGHIITF-LBPRGKRZSA-N 1 0 353.344 4.210 20 5 FIBDRO COc1ccc(C[NH2+]CCCc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000609287690 1122828780 /nfs/dbraw/zinc/82/87/80/1122828780.db2.gz QVQMOZYSXIQAAD-UHFFFAOYSA-N 1 0 368.355 4.345 20 5 FIBDRO CC[N@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])C1CCCC1 ZINC000556508815 1122932006 /nfs/dbraw/zinc/93/20/06/1122932006.db2.gz QYZDMCZBWRRSSO-UHFFFAOYSA-N 1 0 358.385 4.012 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000499249692 1123359552 /nfs/dbraw/zinc/35/95/52/1123359552.db2.gz VFTXKNGJIVHZSR-LSDHHAIUSA-N 1 0 367.449 4.151 20 5 FIBDRO O=[N+]([O-])c1ncccc1NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000609464136 1123720888 /nfs/dbraw/zinc/72/08/88/1123720888.db2.gz VVMHTJFUTKRTRD-UHFFFAOYSA-N 1 0 368.481 4.137 20 5 FIBDRO CC(C)C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000609549845 1123754949 /nfs/dbraw/zinc/75/49/49/1123754949.db2.gz BKRJYMZXTSKJOV-FUHWJXTLSA-N 1 0 369.465 4.090 20 5 FIBDRO O=[N+]([O-])c1c(F)cccc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000301235740 1123764274 /nfs/dbraw/zinc/76/42/74/1123764274.db2.gz HOOBIAZFXRQIBG-ALOPSCKCSA-N 1 0 355.413 4.341 20 5 FIBDRO C[C@@]1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCOC1 ZINC000609600488 1123764287 /nfs/dbraw/zinc/76/42/87/1123764287.db2.gz GFOLIYUQGIWDBR-IBGZPJMESA-N 1 0 360.385 4.042 20 5 FIBDRO Cc1ccnc(NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1[N+](=O)[O-] ZINC000609669652 1123789518 /nfs/dbraw/zinc/78/95/18/1123789518.db2.gz QKGLXJYYLPPNJN-MRXNPFEDSA-N 1 0 354.454 4.285 20 5 FIBDRO Cc1ccc(OC2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000609739565 1123824328 /nfs/dbraw/zinc/82/43/28/1123824328.db2.gz NQGJXBCANPOZGB-UHFFFAOYSA-N 1 0 370.449 4.216 20 5 FIBDRO Cc1cc(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)[nH]n1 ZINC000610009956 1123915851 /nfs/dbraw/zinc/91/58/51/1123915851.db2.gz KGHXHPXWUDEGSE-UHFFFAOYSA-N 1 0 372.812 4.362 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+]C2(c3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000179674967 1124024687 /nfs/dbraw/zinc/02/46/87/1124024687.db2.gz VULXQTUMNWMNHQ-UHFFFAOYSA-N 1 0 373.840 4.164 20 5 FIBDRO COc1ccc2[nH]cc(CC[NH2+]C/C(C)=C/c3cccc([N+](=O)[O-])c3)c2c1 ZINC000615724167 1124108711 /nfs/dbraw/zinc/10/87/11/1124108711.db2.gz SJWBASIIAIGKTF-XNTDXEJSSA-N 1 0 365.433 4.320 20 5 FIBDRO COc1ccc2c(c1)CC[C@@H]([NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C2 ZINC000615727403 1124108854 /nfs/dbraw/zinc/10/88/54/1124108854.db2.gz VZQCBVFSLSKCKQ-DQXUBXGMSA-N 1 0 352.434 4.154 20 5 FIBDRO CCc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001168643936 1124228432 /nfs/dbraw/zinc/22/84/32/1124228432.db2.gz LXQNBNAILANYQC-LBPRGKRZSA-N 1 0 361.829 4.100 20 5 FIBDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000542820452 1124391175 /nfs/dbraw/zinc/39/11/75/1124391175.db2.gz ZLENPFJIWVCIMF-GOEBONIOSA-N 1 0 374.412 4.119 20 5 FIBDRO CCOc1cc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000617201112 1124481512 /nfs/dbraw/zinc/48/15/12/1124481512.db2.gz MADMNHJYWWISGA-LJQANCHMSA-N 1 0 358.463 4.284 20 5 FIBDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000153808373 1124506630 /nfs/dbraw/zinc/50/66/30/1124506630.db2.gz ZYUBAFSLFKUMGZ-AWEZNQCLSA-N 1 0 350.422 4.248 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCCOCC3)o2)c(Cl)c1 ZINC000181028701 1124516571 /nfs/dbraw/zinc/51/65/71/1124516571.db2.gz KLRMSQJHDAEFSY-LBPRGKRZSA-N 1 0 350.802 4.167 20 5 FIBDRO C[NH+](C)[C@@H](CNc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000069447550 1124884988 /nfs/dbraw/zinc/88/49/88/1124884988.db2.gz DKERSHRGYLMLAJ-INIZCTEOSA-N 1 0 364.243 4.072 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)cc1[N+](=O)[O-] ZINC000153428612 1124958461 /nfs/dbraw/zinc/95/84/61/1124958461.db2.gz OXOALSSJQOFDLC-CQSZACIVSA-N 1 0 371.437 4.028 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCc4cc(O)ccc4C3)o2)c1 ZINC000618197833 1125111881 /nfs/dbraw/zinc/11/18/81/1125111881.db2.gz FZEYJUDDBSKIIY-KRWDZBQOSA-N 1 0 364.401 4.208 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000181853352 1125154072 /nfs/dbraw/zinc/15/40/72/1125154072.db2.gz RHQREPYXCJTTAH-HNNXBMFYSA-N 1 0 355.438 4.054 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)CCC2 ZINC000618569068 1125208398 /nfs/dbraw/zinc/20/83/98/1125208398.db2.gz AMOXDHCSOGHPOP-SFTDATJTSA-N 1 0 362.433 4.200 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C(F)(F)F ZINC000301776735 1125254894 /nfs/dbraw/zinc/25/48/94/1125254894.db2.gz LLQAUAVFXAEFDR-LRDDRELGSA-N 1 0 369.387 4.067 20 5 FIBDRO CCSc1ccc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182126566 1125256701 /nfs/dbraw/zinc/25/67/01/1125256701.db2.gz FBKBZTZWYLIXTK-AWEZNQCLSA-N 1 0 373.478 4.020 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C(F)(F)F ZINC000301776734 1125264107 /nfs/dbraw/zinc/26/41/07/1125264107.db2.gz LLQAUAVFXAEFDR-BLLLJJGKSA-N 1 0 369.387 4.067 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1nccn1Cc1ccccc1 ZINC000132196716 1125401899 /nfs/dbraw/zinc/40/18/99/1125401899.db2.gz NPEZHCGHDXEFLM-QGZVFWFLSA-N 1 0 364.449 4.041 20 5 FIBDRO Cc1ccc([C@H](C)[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000109103712 206047477 /nfs/dbraw/zinc/04/74/77/206047477.db2.gz YPRAGBWHRAJQJX-INIZCTEOSA-N 1 0 355.438 4.233 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1)C(C)C ZINC000110123731 206070742 /nfs/dbraw/zinc/07/07/42/206070742.db2.gz GWAQKPRWRWITIV-UHFFFAOYSA-N 1 0 359.401 4.217 20 5 FIBDRO COc1ccc(CCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000481411951 567903432 /nfs/dbraw/zinc/90/34/32/567903432.db2.gz ITNGIRPXQUGMJX-OAHLLOKOSA-N 1 0 358.438 4.204 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868717 567906381 /nfs/dbraw/zinc/90/63/81/567906381.db2.gz FHGGGQCDIFMKFL-MJGOQNOKSA-N 1 0 353.466 4.110 20 5 FIBDRO CC(C)[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000584665111 567926437 /nfs/dbraw/zinc/92/64/37/567926437.db2.gz AENIFABBJYWNPJ-DYESRHJHSA-N 1 0 368.433 4.340 20 5 FIBDRO COCC[C@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(C)o1 ZINC000568400727 568030551 /nfs/dbraw/zinc/03/05/51/568030551.db2.gz METLESRSLNPYHG-HNNXBMFYSA-N 1 0 372.343 4.382 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OC ZINC000481835428 568147347 /nfs/dbraw/zinc/14/73/47/568147347.db2.gz ZNDHNGGDJHRKPR-DZGCQCFKSA-N 1 0 374.412 4.177 20 5 FIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc2sccc2c1 ZINC000569294540 568341958 /nfs/dbraw/zinc/34/19/58/568341958.db2.gz ZQVFMUIZSJZHDP-CYBMUJFWSA-N 1 0 369.446 4.316 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1(c2ccccn2)CCC1)C1CC1 ZINC000569367313 568396648 /nfs/dbraw/zinc/39/66/48/568396648.db2.gz VCEJIUDBCFQYAK-SFHVURJKSA-N 1 0 351.450 4.022 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)c2ncccc2C)cc1[N+](=O)[O-] ZINC000569973634 568445095 /nfs/dbraw/zinc/44/50/95/568445095.db2.gz KVHAZSXRDVSQDC-OAHLLOKOSA-N 1 0 357.454 4.325 20 5 FIBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C(C)=O)c1)c1ccsc1 ZINC000570420355 568475492 /nfs/dbraw/zinc/47/54/92/568475492.db2.gz YWWLGRAUTHNNTL-SFHVURJKSA-N 1 0 361.467 4.354 20 5 FIBDRO CSc1ccc([C@@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000570348349 568479711 /nfs/dbraw/zinc/47/97/11/568479711.db2.gz OQILIFWOYSBIAO-LQOHYYORSA-N 1 0 371.506 4.222 20 5 FIBDRO CSc1ccc([C@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000570348348 568479714 /nfs/dbraw/zinc/47/97/14/568479714.db2.gz OQILIFWOYSBIAO-IEJURRBGSA-N 1 0 371.506 4.222 20 5 FIBDRO C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000570556625 568487050 /nfs/dbraw/zinc/48/70/50/568487050.db2.gz TTZCJDFNBFYZQQ-OWBHPGMISA-N 1 0 362.376 4.432 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000570607356 568490710 /nfs/dbraw/zinc/49/07/10/568490710.db2.gz RFCSOCWLWUUFKN-QFBILLFUSA-N 1 0 351.450 4.101 20 5 FIBDRO CCN(CC)C(=O)CCC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000182551330 1125551445 /nfs/dbraw/zinc/55/14/45/1125551445.db2.gz STEYSHYJECBJJI-INIZCTEOSA-N 1 0 361.486 4.016 20 5 FIBDRO Cc1noc(C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c2ccccc2)n1 ZINC000763543467 1125557411 /nfs/dbraw/zinc/55/74/11/1125557411.db2.gz IBBKOCBPJVFDFX-INIZCTEOSA-N 1 0 372.812 4.013 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000619722719 1125668114 /nfs/dbraw/zinc/66/81/14/1125668114.db2.gz UZGNKHJUQRPEIQ-JKSUJKDBSA-N 1 0 354.454 4.068 20 5 FIBDRO Cn1cc(-c2ccc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)s2)cn1 ZINC000619843828 1125713075 /nfs/dbraw/zinc/71/30/75/1125713075.db2.gz OUWKDLPHJSMRIV-UHFFFAOYSA-N 1 0 368.462 4.221 20 5 FIBDRO Cc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)s1 ZINC000182985001 1125716279 /nfs/dbraw/zinc/71/62/79/1125716279.db2.gz CBRQJXRBKHHURF-SNVBAGLBSA-N 1 0 367.858 4.216 20 5 FIBDRO CC(=O)c1cc(NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000557631260 1079593420 /nfs/dbraw/zinc/59/34/20/1079593420.db2.gz VOKORNOZPFGVJY-GOSISDBHSA-N 1 0 361.829 4.166 20 5 FIBDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000557832879 1079644321 /nfs/dbraw/zinc/64/43/21/1079644321.db2.gz FKYWKTRUFFFRTI-UHFFFAOYSA-N 1 0 360.410 4.066 20 5 FIBDRO Clc1ccc2ccc3ccc(-n4ccnc4[C@H]4CCC[NH2+]C4)nc3c2n1 ZINC001167056818 1079763632 /nfs/dbraw/zinc/76/36/32/1079763632.db2.gz PTJIPIFKFPIGOL-HNNXBMFYSA-N 1 0 363.852 4.089 20 5 FIBDRO C[C@H](CN1CCCCC1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000608836331 1079835381 /nfs/dbraw/zinc/83/53/81/1079835381.db2.gz JUKKTSBAYFUSLD-OAHLLOKOSA-N 1 0 359.495 4.287 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCOc2cccc(F)c2)o1 ZINC000608836101 1079836211 /nfs/dbraw/zinc/83/62/11/1079836211.db2.gz KSGJJZNCCPBVBG-UHFFFAOYSA-N 1 0 356.353 4.163 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H]3c3ccncc3)o2)c1 ZINC000154037094 1079927076 /nfs/dbraw/zinc/92/70/76/1079927076.db2.gz YLRNIFWFLDCBQJ-SFHVURJKSA-N 1 0 364.405 4.024 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@H](OC)c1ccccc1Cl ZINC000430218665 1080000997 /nfs/dbraw/zinc/00/09/97/1080000997.db2.gz NHUPBDOFQRUSHP-XIKOKIGWSA-N 1 0 364.829 4.123 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000430229104 1080034859 /nfs/dbraw/zinc/03/48/59/1080034859.db2.gz UWJZDUIVXPJCPY-NSHDSACASA-N 1 0 352.337 4.056 20 5 FIBDRO CS[C@@H]1CCCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000134548677 1080271609 /nfs/dbraw/zinc/27/16/09/1080271609.db2.gz GGMWYKFXKDCCJS-MRXNPFEDSA-N 1 0 361.467 4.010 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(O[C@@H]2CCOC2)c1 ZINC000120603851 1080314358 /nfs/dbraw/zinc/31/43/58/1080314358.db2.gz CMCNYHPUPKRGPM-QFBILLFUSA-N 1 0 370.449 4.230 20 5 FIBDRO CCOC(=O)C(C)(C)C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000510157766 1080446675 /nfs/dbraw/zinc/44/66/75/1080446675.db2.gz ANZTVYJALIPEHM-HNNXBMFYSA-N 1 0 362.470 4.266 20 5 FIBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cncc(CC)c1 ZINC001209221589 1080527777 /nfs/dbraw/zinc/52/77/77/1080527777.db2.gz RQZGNSWBYKPHCF-UHFFFAOYSA-N 1 0 358.445 4.201 20 5 FIBDRO CCOc1cc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000471250455 1080585026 /nfs/dbraw/zinc/58/50/26/1080585026.db2.gz KXTXXGUXXXEOGV-SFHVURJKSA-N 1 0 355.438 4.243 20 5 FIBDRO C[C@H](c1cccc(C(F)(F)F)c1)N(Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC001167276378 1080940992 /nfs/dbraw/zinc/94/09/92/1080940992.db2.gz KSRNKKHQEFNDQR-LLVKDONJSA-N 1 0 368.359 4.073 20 5 FIBDRO CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000579978627 1081346816 /nfs/dbraw/zinc/34/68/16/1081346816.db2.gz XWDKWCGWZXDNLS-MQBCKMQZSA-N 1 0 360.454 4.072 20 5 FIBDRO Cc1c(C[NH2+]C[C@H](c2ccccc2)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC001648895532 1081353501 /nfs/dbraw/zinc/35/35/01/1081353501.db2.gz RYRSNRIQGPADLF-JOCHJYFZSA-N 1 0 367.493 4.466 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000175827162 1081369432 /nfs/dbraw/zinc/36/94/32/1081369432.db2.gz VKBYHJYIYZLYSV-GOEBONIOSA-N 1 0 366.870 4.398 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000175827194 1081369810 /nfs/dbraw/zinc/36/98/10/1081369810.db2.gz VKBYHJYIYZLYSV-GDBMZVCRSA-N 1 0 366.870 4.398 20 5 FIBDRO Cc1ccccc1C1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000572855949 1081742538 /nfs/dbraw/zinc/74/25/38/1081742538.db2.gz SKJQOOUQYDXWJP-FQEVSTJZSA-N 1 0 366.461 4.229 20 5 FIBDRO COc1ccccc1[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000471611668 1082091691 /nfs/dbraw/zinc/09/16/91/1082091691.db2.gz CPQOZELPBNXWBB-QRWLVFNGSA-N 1 0 358.438 4.420 20 5 FIBDRO O=[N+]([O-])c1ccc(OCCC[N@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC001167433659 1082129391 /nfs/dbraw/zinc/12/93/91/1082129391.db2.gz JGZKXTHSWQGCHG-UHFFFAOYSA-N 1 0 358.413 4.210 20 5 FIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000580981307 1082265889 /nfs/dbraw/zinc/26/58/89/1082265889.db2.gz CBHVLDLJBJRNAX-SUMWQHHRSA-N 1 0 374.441 4.001 20 5 FIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]([NH2+][C@H](C)CC)c1ccco1 ZINC000580981305 1082266071 /nfs/dbraw/zinc/26/60/71/1082266071.db2.gz CBHVLDLJBJRNAX-DYVFJYSZSA-N 1 0 374.441 4.001 20 5 FIBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000537985769 1082630697 /nfs/dbraw/zinc/63/06/97/1082630697.db2.gz DHIZCRJYDZDRKN-LSDHHAIUSA-N 1 0 358.438 4.202 20 5 FIBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccco1 ZINC000477188409 1082743973 /nfs/dbraw/zinc/74/39/73/1082743973.db2.gz NEHQFZSOPXTWBN-ZFWWWQNUSA-N 1 0 374.441 4.056 20 5 FIBDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000157432581 1082827941 /nfs/dbraw/zinc/82/79/41/1082827941.db2.gz UDRRWSFGYQYOCP-KBPBESRZSA-N 1 0 374.437 4.341 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)s1 ZINC000510539746 1083149070 /nfs/dbraw/zinc/14/90/70/1083149070.db2.gz RFXSCFKZBLVHTF-AWEZNQCLSA-N 1 0 368.462 4.426 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000610738808 1083396752 /nfs/dbraw/zinc/39/67/52/1083396752.db2.gz GAIWLGJYAVBZJZ-UHFFFAOYSA-N 1 0 368.433 4.015 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC(F)(F)C3)o2)c([N+](=O)[O-])c1 ZINC000610787847 1083510272 /nfs/dbraw/zinc/51/02/72/1083510272.db2.gz YZKAOSKGWSRRQK-LLVKDONJSA-N 1 0 352.337 4.141 20 5 FIBDRO C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(OC(F)F)c1 ZINC000179585691 1083570066 /nfs/dbraw/zinc/57/00/66/1083570066.db2.gz HKKNSRJXFCMJIO-JTQLQIEISA-N 1 0 363.320 4.188 20 5 FIBDRO C[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000535799027 1083674883 /nfs/dbraw/zinc/67/48/83/1083674883.db2.gz VHIRVEMWDXRMAO-UHFFFAOYSA-N 1 0 360.385 4.137 20 5 FIBDRO CC[C@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610828239 1083745261 /nfs/dbraw/zinc/74/52/61/1083745261.db2.gz PLBITZWCAYJNTK-VQTJNVASSA-N 1 0 364.449 4.353 20 5 FIBDRO COc1ccc2[nH]cc(CC[NH2+][C@@H](C)CCc3ccccc3[N+](=O)[O-])c2c1 ZINC000610817679 1083747519 /nfs/dbraw/zinc/74/75/19/1083747519.db2.gz IYPQMQWUEYFIKX-HNNXBMFYSA-N 1 0 367.449 4.238 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CC2(CCOC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612414678 1083783369 /nfs/dbraw/zinc/78/33/69/1083783369.db2.gz WLENLBJPPBWNBA-LJQANCHMSA-N 1 0 358.438 4.246 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[N@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000065208775 1083894175 /nfs/dbraw/zinc/89/41/75/1083894175.db2.gz NLGSEFSMSGBIDC-UHFFFAOYSA-N 1 0 352.390 4.269 20 5 FIBDRO C[C@@H](c1ccc2ccccc2c1)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000472440355 1083908458 /nfs/dbraw/zinc/90/84/58/1083908458.db2.gz SHRGTXQONRULCC-HNNXBMFYSA-N 1 0 350.422 4.170 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccc2c(c1)OCCO2 ZINC000178479489 1083983630 /nfs/dbraw/zinc/98/36/30/1083983630.db2.gz KSHGIEHDDZJDFK-KBXCAEBGSA-N 1 0 356.422 4.476 20 5 FIBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000538185396 1084015630 /nfs/dbraw/zinc/01/56/30/1084015630.db2.gz RVOMOWBINFBVJX-AWEZNQCLSA-N 1 0 350.850 4.249 20 5 FIBDRO CCOc1ccc([C@H](C)N[C@@H](C)c2nnc([C@H](C)CC)[nH]2)cc1[N+](=O)[O-] ZINC000277209530 1084018992 /nfs/dbraw/zinc/01/89/92/1084018992.db2.gz KFABKNATVYOBRF-AGIUHOORSA-N 1 0 361.446 4.037 20 5 FIBDRO CC[N@H+](CCc1nccs1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000180027571 1084067834 /nfs/dbraw/zinc/06/78/34/1084067834.db2.gz YNIZZRCTTYDWOB-UHFFFAOYSA-N 1 0 357.435 4.376 20 5 FIBDRO Cc1ccc([C@H](C)C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000611560905 1084086814 /nfs/dbraw/zinc/08/68/14/1084086814.db2.gz BPRSVKDPBNHIPR-UZLBHIALSA-N 1 0 364.449 4.119 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@]4(CCCOC4)C3)o2)c1 ZINC000538718897 1084183430 /nfs/dbraw/zinc/18/34/30/1084183430.db2.gz VNSFZLZMSAGISC-HXUWFJFHSA-N 1 0 356.422 4.247 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000119606963 1084206009 /nfs/dbraw/zinc/20/60/09/1084206009.db2.gz XIKPMHLKOAHEAV-LLVKDONJSA-N 1 0 352.337 4.056 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000156752772 1084230260 /nfs/dbraw/zinc/23/02/60/1084230260.db2.gz DLWJLFYCLRVPFD-HUUCEWRRSA-N 1 0 353.422 4.133 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000613025623 1084275287 /nfs/dbraw/zinc/27/52/87/1084275287.db2.gz CHAXLMJYZBYHNB-FQEVSTJZSA-N 1 0 367.449 4.459 20 5 FIBDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000539063273 1084303630 /nfs/dbraw/zinc/30/36/30/1084303630.db2.gz YKORAZXKQSIDKQ-STXHMFSFSA-N 1 0 358.438 4.339 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccnc(N2CCCCCC2)c1 ZINC000579971301 1084309459 /nfs/dbraw/zinc/30/94/59/1084309459.db2.gz ADGGTIRUTGZHAV-LJQANCHMSA-N 1 0 366.465 4.147 20 5 FIBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000539084811 1084313098 /nfs/dbraw/zinc/31/30/98/1084313098.db2.gz VOCBUNLLBRTYRV-ODCWNRFASA-N 1 0 360.479 4.006 20 5 FIBDRO C[NH+](C)CCCCC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000580004512 1084324116 /nfs/dbraw/zinc/32/41/16/1084324116.db2.gz SUFHTLXQDBNRNH-UHFFFAOYSA-N 1 0 357.410 4.058 20 5 FIBDRO CC(C)Oc1cccc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000539226902 1084418762 /nfs/dbraw/zinc/41/87/62/1084418762.db2.gz PZXLQWKSZKJZDQ-HNNXBMFYSA-N 1 0 371.437 4.061 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000539259903 1084440895 /nfs/dbraw/zinc/44/08/95/1084440895.db2.gz DFOOWZFYXRDYNZ-HXUWFJFHSA-N 1 0 355.438 4.137 20 5 FIBDRO COc1cc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1Cl ZINC000582308840 1084852892 /nfs/dbraw/zinc/85/28/92/1084852892.db2.gz ZIVMCVDURZQOFO-GOSISDBHSA-N 1 0 374.868 4.410 20 5 FIBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)CCOc1ccccc1[N+](=O)[O-])CCC2 ZINC000478057250 1084900719 /nfs/dbraw/zinc/90/07/19/1084900719.db2.gz IRTXBCLZUQFFTI-HNNXBMFYSA-N 1 0 361.467 4.002 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccccc1-n1ccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000127592587 1084957909 /nfs/dbraw/zinc/95/79/09/1084957909.db2.gz PXPRHDIPXBDUCS-LJQANCHMSA-N 1 0 350.422 4.330 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@H]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000414291193 1084976908 /nfs/dbraw/zinc/97/69/08/1084976908.db2.gz AUVCRLRMSNTXAV-KZNAEPCWSA-N 1 0 356.470 4.222 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)C1CC1 ZINC000158329201 1085024947 /nfs/dbraw/zinc/02/49/47/1085024947.db2.gz OLQVBJVHKQSWGC-IEBWSBKVSA-N 1 0 352.434 4.072 20 5 FIBDRO COCC1CCC([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000414311298 1085025702 /nfs/dbraw/zinc/02/57/02/1085025702.db2.gz MICYOPOZVYARSA-IOYBJCICSA-N 1 0 354.450 4.479 20 5 FIBDRO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000414331588 1085074638 /nfs/dbraw/zinc/07/46/38/1085074638.db2.gz KIHHXPRMDZEZCV-VQIMIIECSA-N 1 0 353.466 4.268 20 5 FIBDRO C[C@@H]1c2ccccc2CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000106862134 1085234960 /nfs/dbraw/zinc/23/49/60/1085234960.db2.gz MRCPVMBJDNRVHL-OAHLLOKOSA-N 1 0 363.417 4.412 20 5 FIBDRO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000375721258 1085251465 /nfs/dbraw/zinc/25/14/65/1085251465.db2.gz VILOGVOMVQCCPG-UXHICEINSA-N 1 0 365.433 4.060 20 5 FIBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000375721260 1085251520 /nfs/dbraw/zinc/25/15/20/1085251520.db2.gz VILOGVOMVQCCPG-WOJBJXKFSA-N 1 0 365.433 4.060 20 5 FIBDRO CCC(=O)c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000479850915 1085318255 /nfs/dbraw/zinc/31/82/55/1085318255.db2.gz MMSZLZDSPSUZMW-UHFFFAOYSA-N 1 0 367.449 4.264 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](CCO)C2)ccc1Oc1ccc(F)cc1 ZINC000093106843 1085320909 /nfs/dbraw/zinc/32/09/09/1085320909.db2.gz NJSMNSJBRHIOHE-OAHLLOKOSA-N 1 0 374.412 4.121 20 5 FIBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000472245321 1085442242 /nfs/dbraw/zinc/44/22/42/1085442242.db2.gz XBYZAUNCOGDRER-FQEVSTJZSA-N 1 0 368.412 4.042 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178645809 1085555908 /nfs/dbraw/zinc/55/59/08/1085555908.db2.gz JRJPWHOJQLRYCS-MRXNPFEDSA-N 1 0 354.454 4.077 20 5 FIBDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178646105 1085556771 /nfs/dbraw/zinc/55/67/71/1085556771.db2.gz GYCQDQUIVBDVAQ-GJZGRUSLSA-N 1 0 355.438 4.430 20 5 FIBDRO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)Cc1ccsc1 ZINC000187802660 1085567392 /nfs/dbraw/zinc/56/73/92/1085567392.db2.gz LKEONEDPKBLIAT-CYBMUJFWSA-N 1 0 372.450 4.159 20 5 FIBDRO O=[N+]([O-])c1ccccc1N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431482104 1085577113 /nfs/dbraw/zinc/57/71/13/1085577113.db2.gz JJGONNCQLRGLMY-UHFFFAOYSA-N 1 0 351.450 4.087 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)c(F)c1 ZINC000121873897 1085584192 /nfs/dbraw/zinc/58/41/92/1085584192.db2.gz BWNKJSPLXOHZJM-MAUKXSAKSA-N 1 0 362.401 4.195 20 5 FIBDRO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178679417 1085772259 /nfs/dbraw/zinc/77/22/59/1085772259.db2.gz CUMUTUXIZXYRAG-CVEARBPZSA-N 1 0 355.438 4.198 20 5 FIBDRO CSc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178690740 1085817670 /nfs/dbraw/zinc/81/76/70/1085817670.db2.gz VSTHKSDXYHXQPH-KGLIPLIRSA-N 1 0 373.478 4.303 20 5 FIBDRO COc1cc(C[NH2+]Cc2ccoc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000069833100 1085836396 /nfs/dbraw/zinc/83/63/96/1085836396.db2.gz VOVDTFFYVDWTLY-UHFFFAOYSA-N 1 0 368.389 4.065 20 5 FIBDRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000161461138 1085929701 /nfs/dbraw/zinc/92/97/01/1085929701.db2.gz YSAVTCHRDOMYKX-QFYYESIMSA-N 1 0 355.221 4.286 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2cccc(Br)c2)CC1 ZINC000544609114 1086046733 /nfs/dbraw/zinc/04/67/33/1086046733.db2.gz DCIDESACZZQMBL-UHFFFAOYSA-N 1 0 361.239 4.445 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000514797848 1086110076 /nfs/dbraw/zinc/11/00/76/1086110076.db2.gz FSIIICWUXLWAOU-INIZCTEOSA-N 1 0 374.824 4.187 20 5 FIBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(OC3CCCCC3)CC2)cc1 ZINC000261386530 1086827167 /nfs/dbraw/zinc/82/71/67/1086827167.db2.gz YAEJWZFMFQJLST-UHFFFAOYSA-N 1 0 362.470 4.177 20 5 FIBDRO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000728570494 1086860587 /nfs/dbraw/zinc/86/05/87/1086860587.db2.gz MPTIAPIEKYJLTO-UHFFFAOYSA-N 1 0 371.456 4.078 20 5 FIBDRO CCn1c(=O)c2cc3ccccc3cc2nc1SCC[C@H]1CCC[N@@H+]1C ZINC000536090009 1086873849 /nfs/dbraw/zinc/87/38/49/1086873849.db2.gz CWGQAAANBWPMEW-QGZVFWFLSA-N 1 0 367.518 4.146 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)N2CCC=C(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000583922387 1087039119 /nfs/dbraw/zinc/03/91/19/1087039119.db2.gz OYJGARVJXHMBGK-INIZCTEOSA-N 1 0 365.433 4.020 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccsc2)cccc1[N+](=O)[O-] ZINC000052803857 1087168221 /nfs/dbraw/zinc/16/82/21/1087168221.db2.gz NHIYLNBAGXNDRT-KRWDZBQOSA-N 1 0 359.451 4.130 20 5 FIBDRO CN(C)C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000584223783 1087223852 /nfs/dbraw/zinc/22/38/52/1087223852.db2.gz ZHRUXUTYDCRNQP-VQTJNVASSA-N 1 0 371.456 4.349 20 5 FIBDRO CN(CC[NH+](C)C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000584343644 1087272957 /nfs/dbraw/zinc/27/29/57/1087272957.db2.gz FWFQJLASBNZTAB-UHFFFAOYSA-N 1 0 363.845 4.034 20 5 FIBDRO CCCC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000158883471 1087517193 /nfs/dbraw/zinc/51/71/93/1087517193.db2.gz CYYVNLGSXARNIO-OAHLLOKOSA-N 1 0 355.438 4.493 20 5 FIBDRO CCC[N@H+](CC)Cc1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000511277671 1087544171 /nfs/dbraw/zinc/54/41/71/1087544171.db2.gz NMCKSZBPKUEQAC-UHFFFAOYSA-N 1 0 369.465 4.099 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C2CCCC2)C1 ZINC000504895177 1087969068 /nfs/dbraw/zinc/96/90/68/1087969068.db2.gz RDPQNXPALBGEIB-HZPDHXFCSA-N 1 0 363.527 4.072 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000504899545 1087970285 /nfs/dbraw/zinc/97/02/85/1087970285.db2.gz IMFJFNCKOGWTJA-GFCCVEGCSA-N 1 0 350.365 4.165 20 5 FIBDRO CCc1cnc(C[NH2+][C@@H](CC)CSc2ccccc2[N+](=O)[O-])s1 ZINC000504912692 1087980247 /nfs/dbraw/zinc/98/02/47/1087980247.db2.gz ZOFAQIDZYPWIJW-LBPRGKRZSA-N 1 0 351.497 4.274 20 5 FIBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1n1ccnc1 ZINC000180611027 1087980706 /nfs/dbraw/zinc/98/07/06/1087980706.db2.gz JBWQQRWQPNIUJO-BEFAXECRSA-N 1 0 366.421 4.134 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000504917210 1087984213 /nfs/dbraw/zinc/98/42/13/1087984213.db2.gz BKVWSRUOKXGPJR-ZBFHGGJFSA-N 1 0 356.422 4.210 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1F ZINC000181370264 1088362508 /nfs/dbraw/zinc/36/25/08/1088362508.db2.gz ITKIBDRBSDUBCZ-CQSZACIVSA-N 1 0 359.401 4.030 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000513824604 1088422011 /nfs/dbraw/zinc/42/20/11/1088422011.db2.gz NRYHGVQXMJQZBU-ROPHOZQPSA-N 1 0 368.481 4.276 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCOc3c(C)cccc32)cc1[N+](=O)[O-] ZINC000189372692 1088478214 /nfs/dbraw/zinc/47/82/14/1088478214.db2.gz WEPYUGVMICKGEA-RHSMWYFYSA-N 1 0 356.422 4.476 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(c4ccncn4)CC3)o2)cc1 ZINC000414467235 1088632926 /nfs/dbraw/zinc/63/29/26/1088632926.db2.gz DBFAQAJLJBUCIQ-UHFFFAOYSA-N 1 0 364.405 4.024 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000181520384 1088861978 /nfs/dbraw/zinc/86/19/78/1088861978.db2.gz SYLZZCJUBULOOH-JKSUJKDBSA-N 1 0 355.438 4.014 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000514486289 1089132263 /nfs/dbraw/zinc/13/22/63/1089132263.db2.gz DQUKPSZCOLKCND-UHFFFAOYSA-N 1 0 363.820 4.100 20 5 FIBDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000435039231 1089216245 /nfs/dbraw/zinc/21/62/45/1089216245.db2.gz CQVYDKANKNFWMC-GDBMZVCRSA-N 1 0 351.406 4.189 20 5 FIBDRO C[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000514972105 1089676787 /nfs/dbraw/zinc/67/67/87/1089676787.db2.gz GKIPKWOSDALJHB-MRXNPFEDSA-N 1 0 360.385 4.137 20 5 FIBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000517528997 1089740553 /nfs/dbraw/zinc/74/05/53/1089740553.db2.gz FFYUVMCCUCRWIN-HNNXBMFYSA-N 1 0 358.438 4.065 20 5 FIBDRO CC[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000181556730 1089801777 /nfs/dbraw/zinc/80/17/77/1089801777.db2.gz RCLMXJUFWLPHOG-WOJBJXKFSA-N 1 0 356.466 4.438 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCOC1)CCC2 ZINC000365733245 1089941241 /nfs/dbraw/zinc/94/12/41/1089941241.db2.gz HHFHWDNFNZKOAE-IOMROCGXSA-N 1 0 352.434 4.340 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(Br)nc2)cc1[N+](=O)[O-] ZINC000290674960 1090194732 /nfs/dbraw/zinc/19/47/32/1090194732.db2.gz LPMAGDVZURLLTP-NWDGAFQWSA-N 1 0 364.243 4.473 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C)N2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000481128727 1090202579 /nfs/dbraw/zinc/20/25/79/1090202579.db2.gz UZCSQHFXBPFVAK-DOTOQJQBSA-N 1 0 353.466 4.001 20 5 FIBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc3ccccc3c3cccnc13)CC2 ZINC000378509552 1090395385 /nfs/dbraw/zinc/39/53/85/1090395385.db2.gz AVPHYXVFAJBTJB-UHFFFAOYSA-N 1 0 359.473 4.088 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1CNCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000236853459 1090714878 /nfs/dbraw/zinc/71/48/78/1090714878.db2.gz NYEAQOYWSKDZAJ-UHFFFAOYSA-N 1 0 371.481 4.124 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@@H](c3ccccn3)C1)CCCC2 ZINC000417348839 1090828696 /nfs/dbraw/zinc/82/86/96/1090828696.db2.gz JSNCIGYPRFJDBD-OZOXKJRCSA-N 1 0 367.449 4.267 20 5 FIBDRO C[C@@H](CCCc1cccnc1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000584762349 1090849256 /nfs/dbraw/zinc/84/92/56/1090849256.db2.gz MMRLOYWFJHMROZ-HNNXBMFYSA-N 1 0 352.438 4.015 20 5 FIBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302035182 1090939759 /nfs/dbraw/zinc/93/97/59/1090939759.db2.gz FGEZMSAMLZOEJO-CHWSQXEVSA-N 1 0 369.412 4.261 20 5 FIBDRO Cc1cc(NCCC[N@H+]2CCCC[C@@H]2C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001167751463 1091151617 /nfs/dbraw/zinc/15/16/17/1091151617.db2.gz IUPCSVFJKTVOOI-INIZCTEOSA-N 1 0 369.469 4.037 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000053722073 1091417955 /nfs/dbraw/zinc/41/79/55/1091417955.db2.gz GRVXJSAXNSOXLM-ZDUSSCGKSA-N 1 0 359.451 4.283 20 5 FIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000466932810 1091693502 /nfs/dbraw/zinc/69/35/02/1091693502.db2.gz CZJVDCOARCYUCD-CYBMUJFWSA-N 1 0 358.442 4.464 20 5 FIBDRO O=[N+]([O-])c1c(F)cccc1N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000312913182 1091732546 /nfs/dbraw/zinc/73/25/46/1091732546.db2.gz BPNXKDSENROFRJ-UHFFFAOYSA-N 1 0 369.440 4.226 20 5 FIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000128816101 1091873172 /nfs/dbraw/zinc/87/31/72/1091873172.db2.gz FCZGKNKKNXZQAH-UHFFFAOYSA-N 1 0 373.840 4.405 20 5 FIBDRO CCOc1c(Cl)cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000236850981 1091916648 /nfs/dbraw/zinc/91/66/48/1091916648.db2.gz ZFXNLLYGLGQEFO-UHFFFAOYSA-N 1 0 364.829 4.254 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000512226745 1091933325 /nfs/dbraw/zinc/93/33/25/1091933325.db2.gz OLQKZUNJRJTJOT-IBGZPJMESA-N 1 0 367.449 4.003 20 5 FIBDRO CC[NH+](CC)Cc1cccc(CNc2cc(OC)c([N+](=O)[O-])cc2F)c1 ZINC000508278333 1092207417 /nfs/dbraw/zinc/20/74/17/1092207417.db2.gz GUUOZWQIAVQNSD-UHFFFAOYSA-N 1 0 361.417 4.196 20 5 FIBDRO COc1ccc([C@H]2C[C@H]([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])C2)cc1F ZINC000500569894 1092236804 /nfs/dbraw/zinc/23/68/04/1092236804.db2.gz KTCJDVJPXWJUTA-CSCWAZNVSA-N 1 0 356.397 4.292 20 5 FIBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000508315652 1092240042 /nfs/dbraw/zinc/24/00/42/1092240042.db2.gz VQKVQPRSJJVXQY-IAGOWNOFSA-N 1 0 361.489 4.238 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCOc2ccccc2)o1 ZINC000520954252 1092379581 /nfs/dbraw/zinc/37/95/81/1092379581.db2.gz POKCFMYRXHVRSL-UHFFFAOYSA-N 1 0 352.390 4.414 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000438906842 1092537660 /nfs/dbraw/zinc/53/76/60/1092537660.db2.gz HHUVTAHAJMVMHT-UEXGIBASSA-N 1 0 367.449 4.020 20 5 FIBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)C1 ZINC000500772720 1092544342 /nfs/dbraw/zinc/54/43/42/1092544342.db2.gz ZBVRFXPBHCGWLK-ZDUSSCGKSA-N 1 0 359.451 4.141 20 5 FIBDRO CSc1ccc([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000467440668 1092592132 /nfs/dbraw/zinc/59/21/32/1092592132.db2.gz WFXHOEREEDKGQG-ZIAGYGMSSA-N 1 0 373.478 4.385 20 5 FIBDRO CCc1ccc([C@H]([NH2+][C@H](C)C[C@@H]2CCCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544357222 1092597517 /nfs/dbraw/zinc/59/75/17/1092597517.db2.gz YTISZFCWUWGCGY-HEFCMCLBSA-N 1 0 358.438 4.387 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]C2(CCO)CCCC2)ccc1Oc1ccc(F)cc1 ZINC000512501674 1092603794 /nfs/dbraw/zinc/60/37/94/1092603794.db2.gz NQXFAWXQFQRHSH-UHFFFAOYSA-N 1 0 374.412 4.311 20 5 FIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000544381203 1092608546 /nfs/dbraw/zinc/60/85/46/1092608546.db2.gz JMVUVGLHBLRNQI-FQEVSTJZSA-N 1 0 351.381 4.051 20 5 FIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000521276165 1092615959 /nfs/dbraw/zinc/61/59/59/1092615959.db2.gz WNEYQNWHCYFENU-OAHLLOKOSA-N 1 0 358.360 4.028 20 5 FIBDRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000521588062 1092783006 /nfs/dbraw/zinc/78/30/06/1092783006.db2.gz PWYWJWNLNPEJIT-UHFFFAOYSA-N 1 0 371.412 4.362 20 5 FIBDRO COc1c(O)ccc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)c1[N+](=O)[O-] ZINC000894081721 1092888995 /nfs/dbraw/zinc/88/89/95/1092888995.db2.gz ABWFMGTUSRGRRP-UHFFFAOYSA-N 1 0 374.359 4.054 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC2(O)CCCCC2)cc1[N+](=O)[O-] ZINC000521827157 1092931538 /nfs/dbraw/zinc/93/15/38/1092931538.db2.gz DKESAVIIDLRNNE-UHFFFAOYSA-N 1 0 369.465 4.148 20 5 FIBDRO CC(C)[C@@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)[NH+]1CCCC1 ZINC000521819680 1092937143 /nfs/dbraw/zinc/93/71/43/1092937143.db2.gz VKUPUAZCYOMFAH-LJQANCHMSA-N 1 0 357.454 4.065 20 5 FIBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000433063850 1093172977 /nfs/dbraw/zinc/17/29/77/1093172977.db2.gz ZKJOABHHUIAFFD-SJLPKXTDSA-N 1 0 367.449 4.110 20 5 FIBDRO CCOc1c(OC)cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000126959909 1093197540 /nfs/dbraw/zinc/19/75/40/1093197540.db2.gz YCMOVKMJSBSZSQ-AWEZNQCLSA-N 1 0 374.437 4.170 20 5 FIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(OC(F)(F)F)cc1 ZINC000522268800 1093255273 /nfs/dbraw/zinc/25/52/73/1093255273.db2.gz FUSYYZWZGBNXKS-UHFFFAOYSA-N 1 0 354.328 4.168 20 5 FIBDRO O=[N+]([O-])c1c(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc2ncccc21 ZINC000383873357 1093292068 /nfs/dbraw/zinc/29/20/68/1093292068.db2.gz ZYCKWXZCXXAYTL-QGZVFWFLSA-N 1 0 362.433 4.077 20 5 FIBDRO COc1cc(C[NH2+]Cc2cc3ccccc3s2)c([N+](=O)[O-])cc1OC ZINC000509620679 1093301340 /nfs/dbraw/zinc/30/13/40/1093301340.db2.gz ROLBRSBIMKLWFY-UHFFFAOYSA-N 1 0 358.419 4.117 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433137687 1093322015 /nfs/dbraw/zinc/32/20/15/1093322015.db2.gz UVNIMIRHJBUOAK-IIBYNOLFSA-N 1 0 365.477 4.433 20 5 FIBDRO CN(C)[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000433141540 1093325903 /nfs/dbraw/zinc/32/59/03/1093325903.db2.gz AKZKSISAWAIKLW-ZWKOTPCHSA-N 1 0 359.495 4.271 20 5 FIBDRO CC(=O)Nc1ccc(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433160364 1093345006 /nfs/dbraw/zinc/34/50/06/1093345006.db2.gz GYRFNIKZLXIIGI-HXUWFJFHSA-N 1 0 367.449 4.108 20 5 FIBDRO CC1(C)C[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)c2cc([N+](=O)[O-])ccc21 ZINC000433159464 1093351325 /nfs/dbraw/zinc/35/13/25/1093351325.db2.gz DOYIPYVMCJBXJO-SFHVURJKSA-N 1 0 368.433 4.268 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000433183868 1093387462 /nfs/dbraw/zinc/38/74/62/1093387462.db2.gz VSYSTGUBWRGWDQ-OEPRFQHASA-N 1 0 351.450 4.114 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000433183871 1093387570 /nfs/dbraw/zinc/38/75/70/1093387570.db2.gz VSYSTGUBWRGWDQ-WGLAMXGCSA-N 1 0 351.450 4.114 20 5 FIBDRO CC[NH+](CC)Cc1ccc(CNc2ccc([N+](=O)[O-])cc2COC)cc1 ZINC000474137923 1093422917 /nfs/dbraw/zinc/42/29/17/1093422917.db2.gz AUMSYBOOCLGBAX-UHFFFAOYSA-N 1 0 357.454 4.195 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512855990 1093457573 /nfs/dbraw/zinc/45/75/73/1093457573.db2.gz KSJCEWMTDIENLS-QGZVFWFLSA-N 1 0 369.248 4.423 20 5 FIBDRO CCC[C@H]([NH2+]Cc1ccccc1-n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000128925069 1093524549 /nfs/dbraw/zinc/52/45/49/1093524549.db2.gz JEJFODPBNLIZFO-IBGZPJMESA-N 1 0 350.422 4.412 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2OC)cc1[N+](=O)[O-] ZINC000513087635 1093798539 /nfs/dbraw/zinc/79/85/39/1093798539.db2.gz BMSQQWDRBQUIHO-OPYAIIAOSA-N 1 0 370.449 4.044 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000397994577 1093799494 /nfs/dbraw/zinc/79/94/94/1093799494.db2.gz RTWHSRYXVYHRIN-BEFAXECRSA-N 1 0 373.884 4.248 20 5 FIBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000513111297 1093853260 /nfs/dbraw/zinc/85/32/60/1093853260.db2.gz BTCVARWDQHNVID-CQSZACIVSA-N 1 0 363.845 4.034 20 5 FIBDRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000151055199 1093886309 /nfs/dbraw/zinc/88/63/09/1093886309.db2.gz XLJOKBXHTOMSKN-INIZCTEOSA-N 1 0 350.422 4.248 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000182347574 1094030523 /nfs/dbraw/zinc/03/05/23/1094030523.db2.gz WNHIYFPFZIDAKO-LBPRGKRZSA-N 1 0 366.364 4.364 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000513267015 1094040695 /nfs/dbraw/zinc/04/06/95/1094040695.db2.gz NJFIHXJWOODKLH-MGPUTAFESA-N 1 0 367.449 4.315 20 5 FIBDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000513277618 1094044460 /nfs/dbraw/zinc/04/44/60/1094044460.db2.gz YYEXHAKRNPKINL-KUHUBIRLSA-N 1 0 354.406 4.044 20 5 FIBDRO CC(C)c1ccc(C[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000513649305 1094253170 /nfs/dbraw/zinc/25/31/70/1094253170.db2.gz WJGZYFQSRQODAN-HXUWFJFHSA-N 1 0 359.445 4.250 20 5 FIBDRO CC(C)[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C[C@@H](C)O ZINC000513648946 1094253804 /nfs/dbraw/zinc/25/38/04/1094253804.db2.gz WIEIYVDEZOUSBI-CQSZACIVSA-N 1 0 362.401 4.117 20 5 FIBDRO Cc1ccc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(C)c1 ZINC000518276766 1094361360 /nfs/dbraw/zinc/36/13/60/1094361360.db2.gz OOIMDXXFSGDVJB-UHFFFAOYSA-N 1 0 350.365 4.145 20 5 FIBDRO C[C@@H](c1ccsc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000185489408 1094472315 /nfs/dbraw/zinc/47/23/15/1094472315.db2.gz OBCOIAMCBDWEER-AWEZNQCLSA-N 1 0 368.462 4.088 20 5 FIBDRO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000501122639 1094518245 /nfs/dbraw/zinc/51/82/45/1094518245.db2.gz RWUIPGYWXPYEGR-OAHLLOKOSA-N 1 0 354.454 4.007 20 5 FIBDRO COc1ncccc1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102421501 1094542829 /nfs/dbraw/zinc/54/28/29/1094542829.db2.gz DIEQJYVMBBVRIF-UHFFFAOYSA-N 1 0 355.419 4.017 20 5 FIBDRO CCCn1nccc1C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000501547157 1094759378 /nfs/dbraw/zinc/75/93/78/1094759378.db2.gz SDSDAHMPSFJBOY-INIZCTEOSA-N 1 0 356.470 4.450 20 5 FIBDRO COc1cc(C[NH2+]CC2CCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237135576 1095107362 /nfs/dbraw/zinc/10/73/62/1095107362.db2.gz UMUAHJQLAYPGTI-UHFFFAOYSA-N 1 0 356.422 4.072 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000522551734 1095138180 /nfs/dbraw/zinc/13/81/80/1095138180.db2.gz YHZTZADAMSXIMT-MRXNPFEDSA-N 1 0 365.905 4.336 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000544374272 1095610117 /nfs/dbraw/zinc/61/01/17/1095610117.db2.gz FUQRHKQAJMFVQU-BZUAXINKSA-N 1 0 352.500 4.260 20 5 FIBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000183577373 1095687961 /nfs/dbraw/zinc/68/79/61/1095687961.db2.gz JYBKZFZRPWQFLK-AWEZNQCLSA-N 1 0 367.405 4.247 20 5 FIBDRO C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000522799982 1095695216 /nfs/dbraw/zinc/69/52/16/1095695216.db2.gz HVYHDUUTKMHAAB-INIZCTEOSA-N 1 0 368.481 4.171 20 5 FIBDRO C[N@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000513750900 1095713885 /nfs/dbraw/zinc/71/38/85/1095713885.db2.gz RDSCUMZPCGUPMW-AWEZNQCLSA-N 1 0 362.813 4.261 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1)C(C)C ZINC000133631877 1096048608 /nfs/dbraw/zinc/04/86/08/1096048608.db2.gz ROEGDLJHVFWQHJ-UHFFFAOYSA-N 1 0 371.437 4.086 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503900144 1096580154 /nfs/dbraw/zinc/58/01/54/1096580154.db2.gz COIYNMOIFQESOO-DPAVQSFQSA-N 1 0 354.397 4.056 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000423358963 1096655772 /nfs/dbraw/zinc/65/57/72/1096655772.db2.gz UPSCBQHOUQVKEQ-ACJLOTCBSA-N 1 0 355.438 4.304 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3)cc1[N+](=O)[O-] ZINC000423454605 1096699104 /nfs/dbraw/zinc/69/91/04/1096699104.db2.gz ZGLCDMSWUYWUMW-CQSZACIVSA-N 1 0 355.438 4.202 20 5 FIBDRO COc1ccc(CC2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC)CC2)cc1 ZINC000504556984 1096800549 /nfs/dbraw/zinc/80/05/49/1096800549.db2.gz XWUSJYFOTAQANM-UHFFFAOYSA-N 1 0 370.449 4.067 20 5 FIBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2ncccc2[N+](=O)[O-])C1 ZINC000515480493 1098625883 /nfs/dbraw/zinc/62/58/83/1098625883.db2.gz MVTRJSYNEGKHEW-HOTGVXAUSA-N 1 0 354.454 4.080 20 5 FIBDRO CC[C@@H](C)[C@H](C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000532966464 1098635805 /nfs/dbraw/zinc/63/58/05/1098635805.db2.gz JHGWGKNAFOMNCU-NEPJUHHUSA-N 1 0 353.850 4.086 20 5 FIBDRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000533054656 1098721530 /nfs/dbraw/zinc/72/15/30/1098721530.db2.gz OJMCIWDEOGPGOG-AUUYWEPGSA-N 1 0 353.422 4.053 20 5 FIBDRO CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000515717241 1098870147 /nfs/dbraw/zinc/87/01/47/1098870147.db2.gz HGBCLLSSYJVBIM-XHSDSOJGSA-N 1 0 369.465 4.074 20 5 FIBDRO Cc1c(NC(=O)CC[N@H+](Cc2cccc(F)c2)C(C)C)cccc1[N+](=O)[O-] ZINC000533252390 1098913118 /nfs/dbraw/zinc/91/31/18/1098913118.db2.gz VXQGWEFKEDRBCL-UHFFFAOYSA-N 1 0 373.428 4.282 20 5 FIBDRO CCCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000533289394 1098939146 /nfs/dbraw/zinc/93/91/46/1098939146.db2.gz IFBFBZYVPCZZRZ-OAHLLOKOSA-N 1 0 355.438 4.057 20 5 FIBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000436382445 1098969523 /nfs/dbraw/zinc/96/95/23/1098969523.db2.gz AJQMBEBNYARFDF-UHFFFAOYSA-N 1 0 372.391 4.218 20 5 FIBDRO C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533380298 1098995784 /nfs/dbraw/zinc/99/57/84/1098995784.db2.gz HUDQYWZKFZPFND-YPMHNXCESA-N 1 0 364.808 4.030 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192166000 1099726416 /nfs/dbraw/zinc/72/64/16/1099726416.db2.gz HJVYDJSPKDXAJU-UHFFFAOYSA-N 1 0 355.619 4.301 20 5 FIBDRO Cc1ccc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000516815283 1099824199 /nfs/dbraw/zinc/82/41/99/1099824199.db2.gz MLUQKWWPAZJJQT-QFIPXVFZSA-N 1 0 365.477 4.001 20 5 FIBDRO C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000516814881 1099824984 /nfs/dbraw/zinc/82/49/84/1099824984.db2.gz JAVIPOMJYVCKRC-KSSFIOAISA-N 1 0 359.495 4.095 20 5 FIBDRO O=[N+]([O-])c1ccc([O-])cc1CN1CCC(c2nc3ccccc3s2)CC1 ZINC000506113851 1100137301 /nfs/dbraw/zinc/13/73/01/1100137301.db2.gz VWAFCEASERVQLR-UHFFFAOYSA-N 1 0 369.446 4.290 20 5 FIBDRO COc1cc(C[N@H+](C)C2CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000536680230 1100173388 /nfs/dbraw/zinc/17/33/88/1100173388.db2.gz ITMULWQBHWVBHS-UHFFFAOYSA-N 1 0 356.422 4.167 20 5 FIBDRO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000536829544 1100327879 /nfs/dbraw/zinc/32/78/79/1100327879.db2.gz ZAVMTRGJLVSUQZ-HOCLYGCPSA-N 1 0 372.465 4.450 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000536833890 1100346486 /nfs/dbraw/zinc/34/64/86/1100346486.db2.gz OREOBBCAQAJXSZ-CPLUKWAASA-N 1 0 366.461 4.460 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000536840792 1100351465 /nfs/dbraw/zinc/35/14/65/1100351465.db2.gz PPYKFYHFJFXYPQ-HNNXBMFYSA-N 1 0 358.438 4.286 20 5 FIBDRO CC[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000536842912 1100356066 /nfs/dbraw/zinc/35/60/66/1100356066.db2.gz BIQGPVGOHSCIFT-HNNXBMFYSA-N 1 0 369.343 4.128 20 5 FIBDRO COC(=O)CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000536858936 1100375039 /nfs/dbraw/zinc/37/50/39/1100375039.db2.gz PMXSJHWMVLCTCH-DNVCBOLYSA-N 1 0 356.422 4.248 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000536860057 1100377295 /nfs/dbraw/zinc/37/72/95/1100377295.db2.gz YDZGEBWYNHXTAP-MRXNPFEDSA-N 1 0 354.406 4.140 20 5 FIBDRO COCCOC[C@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536878051 1100401524 /nfs/dbraw/zinc/40/15/24/1100401524.db2.gz PPEOYRFRLPVTQZ-UONOGXRCSA-N 1 0 364.467 4.025 20 5 FIBDRO COc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1O ZINC000426170610 1100937654 /nfs/dbraw/zinc/93/76/54/1100937654.db2.gz PRGMIYFARJNVNB-GJZGRUSLSA-N 1 0 358.438 4.289 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000426347832 1101328249 /nfs/dbraw/zinc/32/82/49/1101328249.db2.gz WLDGAWRYBGMVEF-BIENJYKASA-N 1 0 360.479 4.270 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1cc2cccc(F)c2o1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000475705624 1101367327 /nfs/dbraw/zinc/36/73/27/1101367327.db2.gz LFUMVXXWMNGIOQ-VXGBXAGGSA-N 1 0 371.368 4.158 20 5 FIBDRO Cc1ccccc1[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[C@H](C)C1 ZINC000537058076 1101415725 /nfs/dbraw/zinc/41/57/25/1101415725.db2.gz HTTVXVYLFWMDOG-ZSZQSSIHSA-N 1 0 356.470 4.294 20 5 FIBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccc2)n1 ZINC000537076534 1101441679 /nfs/dbraw/zinc/44/16/79/1101441679.db2.gz IGNBDIZATOTEIP-GOSISDBHSA-N 1 0 370.840 4.018 20 5 FIBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000537086353 1101453794 /nfs/dbraw/zinc/45/37/94/1101453794.db2.gz NZGOZCUPSVQMFJ-SFHVURJKSA-N 1 0 361.829 4.174 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2CCCc2ccccc2)c1 ZINC001168153010 1101470936 /nfs/dbraw/zinc/47/09/36/1101470936.db2.gz DGHSRYKOCJYPJT-FPOVZHCZSA-N 1 0 354.450 4.116 20 5 FIBDRO C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000455844652 1101472088 /nfs/dbraw/zinc/47/20/88/1101472088.db2.gz HEMFNTMPFNIEGH-ORAYPTAESA-N 1 0 368.437 4.026 20 5 FIBDRO O=C(C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000537110313 1101476520 /nfs/dbraw/zinc/47/65/20/1101476520.db2.gz UFNOJKMOTOPRRH-FQEVSTJZSA-N 1 0 371.412 4.194 20 5 FIBDRO C[N@H+](CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)C1CC1 ZINC000537129966 1101484973 /nfs/dbraw/zinc/48/49/73/1101484973.db2.gz PVADZVLOQPYOFZ-UHFFFAOYSA-N 1 0 373.840 4.137 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000518819862 1101613161 /nfs/dbraw/zinc/61/31/61/1101613161.db2.gz VXTPSGZNJZDSPK-UHFFFAOYSA-N 1 0 372.755 4.018 20 5 FIBDRO COc1ccc([C@@H]2CCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])cc1OC ZINC000506636065 1101632162 /nfs/dbraw/zinc/63/21/62/1101632162.db2.gz ZSHMXNHGJZHCAE-MOTZXUDYSA-N 1 0 368.433 4.462 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000537321073 1101652214 /nfs/dbraw/zinc/65/22/14/1101652214.db2.gz LTGNGWGGJMOGBX-OAHLLOKOSA-N 1 0 360.385 4.135 20 5 FIBDRO CC[NH+]1CCN(c2ccc(N[C@H](C)c3ccc([N+](=O)[O-])cc3)c(C)c2)CC1 ZINC000537408135 1101755016 /nfs/dbraw/zinc/75/50/16/1101755016.db2.gz RPDFYQLHWCDGNF-QGZVFWFLSA-N 1 0 368.481 4.218 20 5 FIBDRO CC[NH+]1CCN(c2ccccc2N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000537447109 1101790558 /nfs/dbraw/zinc/79/05/58/1101790558.db2.gz YLQKXIKZILYAPF-KRWDZBQOSA-N 1 0 368.481 4.218 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N(C)C)cc1[N+](=O)[O-] ZINC000152582229 1102062663 /nfs/dbraw/zinc/06/26/63/1102062663.db2.gz HSIKDBOTXBFVQQ-XJKSGUPXSA-N 1 0 363.483 4.009 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000440197600 1102087729 /nfs/dbraw/zinc/08/77/29/1102087729.db2.gz WPZOCPOYXKIWIU-UHFFFAOYSA-N 1 0 371.412 4.040 20 5 FIBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CN1C1CC1 ZINC000237696877 1102118693 /nfs/dbraw/zinc/11/86/93/1102118693.db2.gz FYMMVWBMULHETE-DZGCQCFKSA-N 1 0 357.479 4.038 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)s1 ZINC000237966015 1102371787 /nfs/dbraw/zinc/37/17/87/1102371787.db2.gz QQOUACLRJNBPEV-WMZOPIPTSA-N 1 0 357.479 4.040 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000532585887 1102506799 /nfs/dbraw/zinc/50/67/99/1102506799.db2.gz VVZRUCJMECIMPD-GOSISDBHSA-N 1 0 371.437 4.442 20 5 FIBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)c2ccccc21 ZINC000551030764 1102809539 /nfs/dbraw/zinc/80/95/39/1102809539.db2.gz BPFMDGPWVGDCLL-ZDUSSCGKSA-N 1 0 367.380 4.176 20 5 FIBDRO O=C(C[NH2+][C@H](c1ccccc1)C1CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000532686812 1102945986 /nfs/dbraw/zinc/94/59/86/1102945986.db2.gz XPJHUVIKUGCMQO-LJQANCHMSA-N 1 0 373.840 4.318 20 5 FIBDRO COc1ccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(Cl)c1OC ZINC000551241693 1102998970 /nfs/dbraw/zinc/99/89/70/1102998970.db2.gz VKYKPYCJFLGPIP-LBPRGKRZSA-N 1 0 364.829 4.159 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000532716219 1103040728 /nfs/dbraw/zinc/04/07/28/1103040728.db2.gz QBYLCOUPELTXHK-OAQYLSRUSA-N 1 0 367.449 4.363 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3Cc4cccc(O)c4C3)s2)cc1 ZINC000428568531 1103095786 /nfs/dbraw/zinc/09/57/86/1103095786.db2.gz UATMKBBDKVKWJK-HNNXBMFYSA-N 1 0 366.442 4.286 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+]C3(c4ccc(F)cc4)CC3)o2)c1 ZINC000532723729 1103147477 /nfs/dbraw/zinc/14/74/77/1103147477.db2.gz BSHJAUHBRNJGIC-UHFFFAOYSA-N 1 0 367.380 4.210 20 5 FIBDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000507160825 1103160770 /nfs/dbraw/zinc/16/07/70/1103160770.db2.gz NMBRUEPRQLEUPK-SFHVURJKSA-N 1 0 356.422 4.121 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2c[nH]nc2-c2ccccc2F)C2CC2)cc1 ZINC000507167216 1103187198 /nfs/dbraw/zinc/18/71/98/1103187198.db2.gz JYLUCMIRRRCPGP-UHFFFAOYSA-N 1 0 366.396 4.289 20 5 FIBDRO COc1cc(C[N@H+](C)[C@@H](C)C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000507448704 1103395582 /nfs/dbraw/zinc/39/55/82/1103395582.db2.gz DFGNOEXRZWKBDK-HNNXBMFYSA-N 1 0 370.449 4.413 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000551620301 1103445003 /nfs/dbraw/zinc/44/50/03/1103445003.db2.gz UWFJBPYIVLNDEK-ATVHPVEESA-N 1 0 362.433 4.033 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000477512816 1103608505 /nfs/dbraw/zinc/60/85/05/1103608505.db2.gz MUQJTRYZEJOOIP-UHFFFAOYSA-N 1 0 350.340 4.435 20 5 FIBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@@H]1CCC[C@@H]1O ZINC000537709488 1103869947 /nfs/dbraw/zinc/86/99/47/1103869947.db2.gz FVDUEXMXTDHWEM-SJCJKPOMSA-N 1 0 364.829 4.101 20 5 FIBDRO C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000538177048 1104010013 /nfs/dbraw/zinc/01/00/13/1104010013.db2.gz ZLSNIJZDZKGAGC-MRXNPFEDSA-N 1 0 369.465 4.073 20 5 FIBDRO O=C(C[NH2+][C@@H](c1cccc(F)c1)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000538233081 1104063894 /nfs/dbraw/zinc/06/38/94/1104063894.db2.gz JARBYWPTBXIRLB-HXUWFJFHSA-N 1 0 371.412 4.194 20 5 FIBDRO CC[NH+](CC)[C@H](c1nc(-c2ccc([N+](=O)[O-])s2)no1)c1ccccc1 ZINC000520458322 1104757954 /nfs/dbraw/zinc/75/79/54/1104757954.db2.gz SCHZEKKXPHAJHR-HNNXBMFYSA-N 1 0 358.423 4.138 20 5 FIBDRO COc1cc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000441463401 1104795381 /nfs/dbraw/zinc/79/53/81/1104795381.db2.gz FIULONBKFRERPN-DYEKYZERSA-N 1 0 370.396 4.358 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCCCC3)CC2)nc1-c1ccccc1 ZINC000536387917 1104876300 /nfs/dbraw/zinc/87/63/00/1104876300.db2.gz STEYBHZLKPLICP-UHFFFAOYSA-N 1 0 366.465 4.112 20 5 FIBDRO Cc1ccc(OC2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)cc1C ZINC000520785179 1105281743 /nfs/dbraw/zinc/28/17/43/1105281743.db2.gz ABQCLGKNCYCURE-UHFFFAOYSA-N 1 0 370.449 4.134 20 5 FIBDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000530728438 1107290315 /nfs/dbraw/zinc/29/03/15/1107290315.db2.gz LZHNHVJMTFEFME-KBPBESRZSA-N 1 0 359.401 4.029 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)CC2CCC2)ccc1Oc1ccc(F)cc1 ZINC000475499993 1107577767 /nfs/dbraw/zinc/57/77/67/1107577767.db2.gz CAWFFRHWDDCGAG-QGZVFWFLSA-N 1 0 374.412 4.167 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccc([N+](=O)[O-])cc1 ZINC000453245812 1108321284 /nfs/dbraw/zinc/32/12/84/1108321284.db2.gz IUCPXXFRSKRCRT-STQMWFEESA-N 1 0 353.422 4.236 20 5 FIBDRO CCC[C@H]([NH2+][C@H]1CCO[C@H](c2ccncc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453333680 1108424782 /nfs/dbraw/zinc/42/47/82/1108424782.db2.gz DFTJAVKPSUTFBM-IHPCNDPISA-N 1 0 355.438 4.341 20 5 FIBDRO Cc1ccnc(NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000523756771 1108503055 /nfs/dbraw/zinc/50/30/55/1108503055.db2.gz DVXJUDFLDNOCRA-MRXNPFEDSA-N 1 0 360.845 4.201 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]CCc2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000532187100 1108696741 /nfs/dbraw/zinc/69/67/41/1108696741.db2.gz FGYIJRNLQIZDCU-CYBMUJFWSA-N 1 0 350.365 4.398 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCCc4cn[nH]c43)s2)cc1 ZINC000532209296 1108712072 /nfs/dbraw/zinc/71/20/72/1108712072.db2.gz QHWPWCWJWRUVMP-INIZCTEOSA-N 1 0 354.435 4.214 20 5 FIBDRO COCC1([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000532212908 1108715344 /nfs/dbraw/zinc/71/53/44/1108715344.db2.gz NSQNTBIMKNPKTF-UHFFFAOYSA-N 1 0 362.813 4.309 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2noc(C3CC[NH+](Cc4ccccc4)CC3)n2)s1 ZINC000445469378 1108780821 /nfs/dbraw/zinc/78/08/21/1108780821.db2.gz GWHUOSLTVCISAF-UHFFFAOYSA-N 1 0 370.434 4.086 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)s1 ZINC000445476286 1108815651 /nfs/dbraw/zinc/81/56/51/1108815651.db2.gz ASZDHVAEOTTWLQ-CQSZACIVSA-N 1 0 370.434 4.086 20 5 FIBDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000508534186 1108852442 /nfs/dbraw/zinc/85/24/42/1108852442.db2.gz WTWHISDORIWBOI-UHFFFAOYSA-N 1 0 355.438 4.387 20 5 FIBDRO Cc1cn2c(n1)[C@H](C[NH2+]Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CCC2 ZINC000525181813 1109293841 /nfs/dbraw/zinc/29/38/41/1109293841.db2.gz SOIAYVFTOHNJJK-INIZCTEOSA-N 1 0 366.421 4.027 20 5 FIBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000446764388 1109332582 /nfs/dbraw/zinc/33/25/82/1109332582.db2.gz GZEAUQNDJNMQIO-GOSISDBHSA-N 1 0 362.401 4.023 20 5 FIBDRO Cc1ccc([C@H]2CCC[C@H]2[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000446846209 1109363545 /nfs/dbraw/zinc/36/35/45/1109363545.db2.gz WUTPTZWLNJUQGM-IAGOWNOFSA-N 1 0 350.422 4.205 20 5 FIBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000441229725 1109483177 /nfs/dbraw/zinc/48/31/77/1109483177.db2.gz JHPRFDXFHBIKBV-HNNXBMFYSA-N 1 0 374.437 4.074 20 5 FIBDRO C[C@H]1C[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000525709016 1109488014 /nfs/dbraw/zinc/48/80/14/1109488014.db2.gz DCFGVVLHPVLAAA-WMLDXEAASA-N 1 0 373.428 4.099 20 5 FIBDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000428483947 1109531341 /nfs/dbraw/zinc/53/13/41/1109531341.db2.gz KUSDYMUAALSMJV-IBGZPJMESA-N 1 0 360.479 4.308 20 5 FIBDRO C[C@H](OCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447517876 1109558743 /nfs/dbraw/zinc/55/87/43/1109558743.db2.gz UWVUXOSUCJMANC-UHOSZYNNSA-N 1 0 372.469 4.033 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)CCC2 ZINC000447522460 1109559954 /nfs/dbraw/zinc/55/99/54/1109559954.db2.gz YVBBCRWSESUOLZ-OALUTQOASA-N 1 0 371.506 4.460 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2s1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000525951937 1109562124 /nfs/dbraw/zinc/56/21/24/1109562124.db2.gz SJXQEZBZFIAXAM-QWHCGFSZSA-N 1 0 369.446 4.487 20 5 FIBDRO Cc1[nH]c2ccc(C[NH2+][C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc2c1C ZINC000447530506 1109564281 /nfs/dbraw/zinc/56/42/81/1109564281.db2.gz OFXLJLSJSSUOIB-OALUTQOASA-N 1 0 367.453 4.163 20 5 FIBDRO COc1ccc(OCC[N@H+](Cc2ccccc2F)C(C)C)c([N+](=O)[O-])c1 ZINC000441275272 1109564853 /nfs/dbraw/zinc/56/48/53/1109564853.db2.gz IPSAJCXRUPOLBE-UHFFFAOYSA-N 1 0 362.401 4.032 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(C(F)(F)F)cc2)n1 ZINC000447532502 1109569803 /nfs/dbraw/zinc/56/98/03/1109569803.db2.gz UGWDXEOBFVOOTP-GJZGRUSLSA-N 1 0 368.359 4.084 20 5 FIBDRO CCN(CC)[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000447542430 1109573180 /nfs/dbraw/zinc/57/31/80/1109573180.db2.gz PCEHFVNKJVFLKW-OALUTQOASA-N 1 0 357.454 4.238 20 5 FIBDRO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000447598357 1109592351 /nfs/dbraw/zinc/59/23/51/1109592351.db2.gz HTDREEUOFWWXMO-HNNXBMFYSA-N 1 0 372.421 4.149 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCc2cccc(Cl)c2)n1 ZINC000447578434 1109593763 /nfs/dbraw/zinc/59/37/63/1109593763.db2.gz FMMDSLGRRLGMJZ-SJORKVTESA-N 1 0 362.861 4.151 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(C(F)F)cc2)n1 ZINC000447603457 1109599669 /nfs/dbraw/zinc/59/96/69/1109599669.db2.gz XQWLRLLHWQGNFQ-CABCVRRESA-N 1 0 350.369 4.002 20 5 FIBDRO CC(C)(C)c1cnc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000447897580 1109671259 /nfs/dbraw/zinc/67/12/59/1109671259.db2.gz ODKFIIPRRQLICB-UHFFFAOYSA-N 1 0 353.875 4.335 20 5 FIBDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000449080020 1109975104 /nfs/dbraw/zinc/97/51/04/1109975104.db2.gz RZBBKZODDKYYGN-LSDHHAIUSA-N 1 0 358.438 4.202 20 5 FIBDRO Cc1ccc(-c2nc(CC[NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])co2)cc1 ZINC000449112286 1109982964 /nfs/dbraw/zinc/98/29/64/1109982964.db2.gz QJZSWIWHXUSZRZ-INIZCTEOSA-N 1 0 365.433 4.322 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000449165552 1109990346 /nfs/dbraw/zinc/99/03/46/1109990346.db2.gz ABOFECVEBYVKKD-HOTGVXAUSA-N 1 0 350.422 4.062 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nc(-c2cccc(F)c2)no1 ZINC000449256830 1110008435 /nfs/dbraw/zinc/00/84/35/1110008435.db2.gz FUVRKSUGFYRLLO-QWHCGFSZSA-N 1 0 370.384 4.066 20 5 FIBDRO COc1ccc([C@H]2C[C@H]([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])C2)cc1F ZINC000449306130 1110023382 /nfs/dbraw/zinc/02/33/82/1110023382.db2.gz JQSJDWMZVIIVMS-KBRIMQKVSA-N 1 0 358.413 4.209 20 5 FIBDRO C[C@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000449347447 1110036493 /nfs/dbraw/zinc/03/64/93/1110036493.db2.gz HIXYUJXGQWAIOA-AWEZNQCLSA-N 1 0 356.422 4.401 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H](O)C(F)F ZINC000449421572 1110070044 /nfs/dbraw/zinc/07/00/44/1110070044.db2.gz IYVZVFIDRHMFLO-DZGCQCFKSA-N 1 0 374.771 4.002 20 5 FIBDRO Cc1cccnc1CCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449487151 1110090331 /nfs/dbraw/zinc/09/03/31/1110090331.db2.gz XGNIJSDPZHIRGN-PXNSSMCTSA-N 1 0 353.466 4.232 20 5 FIBDRO Cc1cccnc1CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449487150 1110090435 /nfs/dbraw/zinc/09/04/35/1110090435.db2.gz XGNIJSDPZHIRGN-FXAWDEMLSA-N 1 0 353.466 4.232 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](CCCO)C3)o2)c(Cl)c1 ZINC000449790912 1110172917 /nfs/dbraw/zinc/17/29/17/1110172917.db2.gz MSTQFNIXQWNETP-CYBMUJFWSA-N 1 0 364.829 4.103 20 5 FIBDRO Cn1cc(C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538602893 1111209550 /nfs/dbraw/zinc/20/95/50/1111209550.db2.gz NKUKBYQBSKBHCH-RTBURBONSA-N 1 0 354.454 4.054 20 5 FIBDRO C[C@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000538589710 1111211904 /nfs/dbraw/zinc/21/19/04/1111211904.db2.gz RJNFLXBAONKLJB-ZACQAIPSSA-N 1 0 369.465 4.377 20 5 FIBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000538718097 1111260385 /nfs/dbraw/zinc/26/03/85/1111260385.db2.gz URSZNHBZTXIYMM-WMLDXEAASA-N 1 0 374.510 4.023 20 5 FIBDRO COc1cc(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000538721070 1111261834 /nfs/dbraw/zinc/26/18/34/1111261834.db2.gz MIMIUDILAJAACG-DZGCQCFKSA-N 1 0 374.412 4.129 20 5 FIBDRO COc1cc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000538721071 1111262182 /nfs/dbraw/zinc/26/21/82/1111262182.db2.gz MIMIUDILAJAACG-HIFRSBDPSA-N 1 0 374.412 4.129 20 5 FIBDRO CS[C@H]1CCCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000538799858 1111297274 /nfs/dbraw/zinc/29/72/74/1111297274.db2.gz ZLHULVVTEUPUCT-INIZCTEOSA-N 1 0 363.508 4.436 20 5 FIBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCO1 ZINC000538877795 1111335483 /nfs/dbraw/zinc/33/54/83/1111335483.db2.gz QOMJLQGOVIGNNG-ZBFHGGJFSA-N 1 0 374.412 4.431 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000539053155 1111402408 /nfs/dbraw/zinc/40/24/08/1111402408.db2.gz OTOCBABNSJMRNL-HNAYVOBHSA-N 1 0 364.449 4.015 20 5 FIBDRO C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000539074648 1111419944 /nfs/dbraw/zinc/41/99/44/1111419944.db2.gz WWOMFOOVJILQTK-GFCCVEGCSA-N 1 0 362.813 4.260 20 5 FIBDRO CCOc1ccccc1[C@H](CC)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000539252802 1111487468 /nfs/dbraw/zinc/48/74/68/1111487468.db2.gz OHSNUYBGQJKJHT-KSSFIOAISA-N 1 0 371.437 4.061 20 5 FIBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](Cc2ccccc2Cl)c2ccccc2)c1 ZINC000539310000 1111507708 /nfs/dbraw/zinc/50/77/08/1111507708.db2.gz YZNCPENGYRUGEX-IBGZPJMESA-N 1 0 370.840 4.018 20 5 FIBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccnc2)cc1 ZINC000539335029 1111518564 /nfs/dbraw/zinc/51/85/64/1111518564.db2.gz SPQMAMWPMXJODH-MRXNPFEDSA-N 1 0 363.417 4.386 20 5 FIBDRO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000552048381 1111557626 /nfs/dbraw/zinc/55/76/26/1111557626.db2.gz QUHUAPBTEMADKD-HNAYVOBHSA-N 1 0 356.470 4.224 20 5 FIBDRO Cc1c(C[NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)cccc1[N+](=O)[O-] ZINC000478496207 1111794474 /nfs/dbraw/zinc/79/44/74/1111794474.db2.gz KIKZAKHALUSMMR-SFHVURJKSA-N 1 0 355.394 4.237 20 5 FIBDRO C[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)[N@@H+]1CCCC[C@@H]1C ZINC000478641289 1111842445 /nfs/dbraw/zinc/84/24/45/1111842445.db2.gz CPELUVHRISAHTG-IRXDYDNUSA-N 1 0 361.489 4.381 20 5 FIBDRO C[C@H](C[NH+]1CCCCCC1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000479604699 1112084280 /nfs/dbraw/zinc/08/42/80/1112084280.db2.gz WCFNQMIAMNUJDZ-OAHLLOKOSA-N 1 0 374.510 4.072 20 5 FIBDRO C[C@@H](C[NH+]1CCCCCC1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000479604698 1112084425 /nfs/dbraw/zinc/08/44/25/1112084425.db2.gz WCFNQMIAMNUJDZ-HNNXBMFYSA-N 1 0 374.510 4.072 20 5 FIBDRO CCC[C@H]([NH2+]CCCn1cnc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000480161081 1112309516 /nfs/dbraw/zinc/30/95/16/1112309516.db2.gz QSRGAJPBEPXXAX-SFHVURJKSA-N 1 0 352.438 4.466 20 5 FIBDRO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(OC(F)F)cc1C ZINC000480477497 1112444885 /nfs/dbraw/zinc/44/48/85/1112444885.db2.gz KZWORBKOIKOIPB-UHFFFAOYSA-N 1 0 350.365 4.411 20 5 FIBDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000555104622 1112669767 /nfs/dbraw/zinc/66/97/67/1112669767.db2.gz JHJOJMDUXBUBDI-SFHVURJKSA-N 1 0 360.479 4.210 20 5 FIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000555421258 1112826030 /nfs/dbraw/zinc/82/60/30/1112826030.db2.gz XDMCOMNQJIEDGE-SNVBAGLBSA-N 1 0 368.311 4.193 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000555422398 1112828419 /nfs/dbraw/zinc/82/84/19/1112828419.db2.gz YOUDTCLUXSZFDS-INIZCTEOSA-N 1 0 358.360 4.005 20 5 FIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1COc2ccccc21 ZINC000555423884 1112829729 /nfs/dbraw/zinc/82/97/29/1112829729.db2.gz YLLRNHUAWAXKEY-NHYWBVRUSA-N 1 0 366.339 4.268 20 5 FIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)cc1[N+](=O)[O-] ZINC000555607909 1112944945 /nfs/dbraw/zinc/94/49/45/1112944945.db2.gz NAZAMELHIGXVHG-CQSZACIVSA-N 1 0 354.385 4.079 20 5 FIBDRO CC1(C)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]2CCC[C@@H]21 ZINC000555721350 1112978662 /nfs/dbraw/zinc/97/86/62/1112978662.db2.gz LNMNNRVKNBLXBB-DLBZAZTESA-N 1 0 355.438 4.303 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000160491401 1113395195 /nfs/dbraw/zinc/39/51/95/1113395195.db2.gz AZAXPCMOJYAVEX-KRWDZBQOSA-N 1 0 368.481 4.385 20 5 FIBDRO Cc1cccc(CC2(O)CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000482945769 1113405197 /nfs/dbraw/zinc/40/51/97/1113405197.db2.gz NHUUSXUBCCVUNP-KRWDZBQOSA-N 1 0 354.450 4.034 20 5 FIBDRO CCC[C@H]([NH2+]Cc1cccc(-n2ccnc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000483146685 1113454475 /nfs/dbraw/zinc/45/44/75/1113454475.db2.gz YNXDDVFUVRAEJM-FQEVSTJZSA-N 1 0 350.422 4.412 20 5 FIBDRO CCOc1cc(CCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000483231688 1113472740 /nfs/dbraw/zinc/47/27/40/1113472740.db2.gz JAQHXEWEZMTQHS-HNNXBMFYSA-N 1 0 358.438 4.286 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccnc(Oc3ccccc3F)c2)cc1 ZINC000486815538 1113652109 /nfs/dbraw/zinc/65/21/09/1113652109.db2.gz OVGRCHBQFBUNIY-UHFFFAOYSA-N 1 0 353.353 4.211 20 5 FIBDRO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000488465572 1113937638 /nfs/dbraw/zinc/93/76/38/1113937638.db2.gz OQCXOGPXHMWQOL-JKQORVJESA-N 1 0 371.485 4.288 20 5 FIBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1 ZINC000488493496 1113942936 /nfs/dbraw/zinc/94/29/36/1113942936.db2.gz MKSNMVZSJKLGMK-UHFFFAOYSA-N 1 0 368.355 4.403 20 5 FIBDRO Cc1cc(F)ccc1C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000488559927 1113953888 /nfs/dbraw/zinc/95/38/88/1113953888.db2.gz OLRLKINRPZGDGP-UHFFFAOYSA-N 1 0 368.412 4.075 20 5 FIBDRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cc1 ZINC000490077282 1114213909 /nfs/dbraw/zinc/21/39/09/1114213909.db2.gz DIOOLVVACPLTBJ-HOCLYGCPSA-N 1 0 351.406 4.422 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H](O)C2CCCCC2)c2ccccc2)c1 ZINC000491013228 1114365659 /nfs/dbraw/zinc/36/56/59/1114365659.db2.gz ZBNCQKGYYQBTHV-SFTDATJTSA-N 1 0 354.450 4.215 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H](N[C@H]2CC[N@@H+](C3CCCC3)C2)c2ccccc2)c1 ZINC000491060506 1114368730 /nfs/dbraw/zinc/36/87/30/1114368730.db2.gz ODLKPGXYMVLHPR-SIKLNZKXSA-N 1 0 365.477 4.291 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H](N[C@H]2CC[N@@H+](C3CCCC3)C2)c2ccccc2)c1 ZINC000491060507 1114369033 /nfs/dbraw/zinc/36/90/33/1114369033.db2.gz ODLKPGXYMVLHPR-UGKGYDQZSA-N 1 0 365.477 4.291 20 5 FIBDRO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000055152011 1114421415 /nfs/dbraw/zinc/42/14/15/1114421415.db2.gz GHKPVCDMBUAPET-GJZGRUSLSA-N 1 0 371.437 4.060 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000571178374 1114437628 /nfs/dbraw/zinc/43/76/28/1114437628.db2.gz BMDSKMKVGFZOTF-LRQRDZAKSA-N 1 0 352.434 4.340 20 5 FIBDRO CC1CCN(c2ccc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])cn2)CC1 ZINC000571536562 1114480395 /nfs/dbraw/zinc/48/03/95/1114480395.db2.gz LUDIAMMCZJDGIQ-LJQANCHMSA-N 1 0 366.465 4.003 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCC2=O)cc1 ZINC000156886107 1114631550 /nfs/dbraw/zinc/63/15/50/1114631550.db2.gz OFLDOOVFQHSBDG-CABCVRRESA-N 1 0 353.422 4.133 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCc4c3cc(F)cc4F)c2c1 ZINC000588959451 1114681477 /nfs/dbraw/zinc/68/14/77/1114681477.db2.gz AEYWXWNNXPQAIK-IBGZPJMESA-N 1 0 357.360 4.174 20 5 FIBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 ZINC000056881448 1114829713 /nfs/dbraw/zinc/82/97/13/1114829713.db2.gz MUNGCAQHRGYVOK-UHFFFAOYSA-N 1 0 366.421 4.170 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000165718637 1114874617 /nfs/dbraw/zinc/87/46/17/1114874617.db2.gz ZEJHWWJVIOZTTE-IBGZPJMESA-N 1 0 355.438 4.219 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nc(-c3ccccc3F)cs2)cc1 ZINC000590596165 1114951637 /nfs/dbraw/zinc/95/16/37/1114951637.db2.gz UDARRKVMAVVUEM-UHFFFAOYSA-N 1 0 357.410 4.190 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]C2CCC(OC(F)F)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000590780042 1114972892 /nfs/dbraw/zinc/97/28/92/1114972892.db2.gz ACIICFBXQNQYEG-IJGSQOGDSA-N 1 0 354.397 4.457 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](CCc3ccccc3)C3CC3)co2)cc1 ZINC000760818594 1115046467 /nfs/dbraw/zinc/04/64/67/1115046467.db2.gz GYPCKRMRAIMGAQ-UHFFFAOYSA-N 1 0 363.417 4.457 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@H]2CCCC[C@H]12 ZINC001168400985 1115107585 /nfs/dbraw/zinc/10/75/85/1115107585.db2.gz GMKAWOOGORHIOG-BNOWGMLFSA-N 1 0 353.260 4.368 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000573981322 1115227268 /nfs/dbraw/zinc/22/72/68/1115227268.db2.gz NJRSOKWHOIOLHZ-AEFFLSMTSA-N 1 0 357.479 4.070 20 5 FIBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc2ccccc2c2cccnc12 ZINC000592777153 1115261962 /nfs/dbraw/zinc/26/19/62/1115261962.db2.gz MPHGLNGVNDUGAS-KRWDZBQOSA-N 1 0 359.473 4.135 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000593077909 1115299884 /nfs/dbraw/zinc/29/98/84/1115299884.db2.gz RYLGSFMAVBFVSO-CPUCHLNUSA-N 1 0 370.453 4.117 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000574471246 1115375434 /nfs/dbraw/zinc/37/54/34/1115375434.db2.gz ATAPSNTWFNUZSS-QLQLNADESA-N 1 0 352.434 4.102 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000594499705 1115451005 /nfs/dbraw/zinc/45/10/05/1115451005.db2.gz QQPVKWAAFGYIDT-CQSZACIVSA-N 1 0 372.375 4.159 20 5 FIBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594513783 1115457838 /nfs/dbraw/zinc/45/78/38/1115457838.db2.gz HIVDYXBQEPZNTD-KWCYVHTRSA-N 1 0 368.499 4.138 20 5 FIBDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000594520421 1115459566 /nfs/dbraw/zinc/45/95/66/1115459566.db2.gz PJVVFFJRZSBURU-PBHICJAKSA-N 1 0 356.422 4.038 20 5 FIBDRO Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000594740388 1115480002 /nfs/dbraw/zinc/48/00/02/1115480002.db2.gz XSOUVVCFSDSZAE-BEVDRBHNSA-N 1 0 351.450 4.165 20 5 FIBDRO Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000594740391 1115480006 /nfs/dbraw/zinc/48/00/06/1115480006.db2.gz XSOUVVCFSDSZAE-YSSFQJQWSA-N 1 0 351.450 4.165 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cncc(Br)c2C)cc1[N+](=O)[O-] ZINC000594940614 1115501807 /nfs/dbraw/zinc/50/18/07/1115501807.db2.gz PHJVEKBQXVHTQP-GFCCVEGCSA-N 1 0 364.243 4.220 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000595013924 1115503896 /nfs/dbraw/zinc/50/38/96/1115503896.db2.gz RSVOTWFTIQUSOG-HNNXBMFYSA-N 1 0 361.486 4.051 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000595009018 1115508054 /nfs/dbraw/zinc/50/80/54/1115508054.db2.gz ARYGJNPAXUYHLE-GJZGRUSLSA-N 1 0 366.421 4.201 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1ccnc2ccccc12)C1CC1 ZINC000595072893 1115512175 /nfs/dbraw/zinc/51/21/75/1115512175.db2.gz KCNOKGZHPNBRTL-OAQYLSRUSA-N 1 0 361.445 4.296 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCN(C)c2ccccc21 ZINC000595052626 1115512555 /nfs/dbraw/zinc/51/25/55/1115512555.db2.gz SIAIBJTXRBUTKA-KBXCAEBGSA-N 1 0 355.438 4.225 20 5 FIBDRO C[C@H]([NH2+]Cc1cccc(COC[C@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000595103363 1115516488 /nfs/dbraw/zinc/51/64/88/1115516488.db2.gz LZYFPMKNULOGAR-HRAATJIYSA-N 1 0 370.449 4.141 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]C[C@H]2CCOC2(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595108510 1115516520 /nfs/dbraw/zinc/51/65/20/1115516520.db2.gz QZOAREIRZYRHTQ-BEFAXECRSA-N 1 0 358.438 4.244 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](c1ccccc1)[C@H](O)C(C)C ZINC000595097123 1115518007 /nfs/dbraw/zinc/51/80/07/1115518007.db2.gz PIACJRGOFXFANL-VHKYSDTDSA-N 1 0 358.438 4.012 20 5 FIBDRO CC(C)[C@H](O)[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000595097397 1115518213 /nfs/dbraw/zinc/51/82/13/1115518213.db2.gz VPMFKORGFZPIKR-ACRUOGEOSA-N 1 0 354.450 4.320 20 5 FIBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000595358216 1115533827 /nfs/dbraw/zinc/53/38/27/1115533827.db2.gz SHJFQONFZUDMEI-AWEZNQCLSA-N 1 0 355.369 4.255 20 5 FIBDRO CC(C)(NCc1cc(F)ccc1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000595513252 1115539584 /nfs/dbraw/zinc/53/95/84/1115539584.db2.gz YNAKMALVEZODAH-UHFFFAOYSA-N 1 0 354.328 4.360 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000596652865 1115604064 /nfs/dbraw/zinc/60/40/64/1115604064.db2.gz QDIHWRPGZQXOJY-WBVHZDCISA-N 1 0 357.479 4.325 20 5 FIBDRO CC(=O)N1CC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000598678137 1115744056 /nfs/dbraw/zinc/74/40/56/1115744056.db2.gz NJOXXWIJPCUODH-FQEVSTJZSA-N 1 0 367.449 4.005 20 5 FIBDRO Cn1ccnc1[C@@H]([NH2+]CC(C1CCC1)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000599058463 1115785177 /nfs/dbraw/zinc/78/51/77/1115785177.db2.gz VGDXOIDKUQFHNU-FQEVSTJZSA-N 1 0 368.481 4.224 20 5 FIBDRO Cc1ccc(C(C)(C)C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)nc1 ZINC000599071073 1115787276 /nfs/dbraw/zinc/78/72/76/1115787276.db2.gz OZSGUQZYSKDBRK-SFHVURJKSA-N 1 0 353.466 4.187 20 5 FIBDRO COc1ccc([C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C2CC2)cn1 ZINC000599095518 1115788822 /nfs/dbraw/zinc/78/88/22/1115788822.db2.gz GALVYHCPGFRDBG-UYAOXDASSA-N 1 0 367.449 4.462 20 5 FIBDRO C[NH+](C)C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000599172071 1115796837 /nfs/dbraw/zinc/79/68/37/1115796837.db2.gz JYUZXCFRTNVJDU-CQSZACIVSA-N 1 0 355.225 4.011 20 5 FIBDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]2CCCC[C@@H]12 ZINC000603846834 1115820878 /nfs/dbraw/zinc/82/08/78/1115820878.db2.gz CXDPQLUKNNYLJA-COXVUDFISA-N 1 0 356.426 4.045 20 5 FIBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000603860471 1115820903 /nfs/dbraw/zinc/82/09/03/1115820903.db2.gz CRJSDJRBTGPSAE-IYBDPMFKSA-N 1 0 356.470 4.313 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)c3ccccc3)s2)cc1 ZINC000171048815 1115825746 /nfs/dbraw/zinc/82/57/46/1115825746.db2.gz PLNMJQZBPOYHQF-GOSISDBHSA-N 1 0 354.431 4.147 20 5 FIBDRO COc1ccc([C@H]([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000604012512 1115840884 /nfs/dbraw/zinc/84/08/84/1115840884.db2.gz JOQVMXKYXMYRER-HXUWFJFHSA-N 1 0 356.422 4.113 20 5 FIBDRO CCC[C@H](C)[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000604475563 1115866423 /nfs/dbraw/zinc/86/64/23/1115866423.db2.gz SCUSNBNXCUEVCA-HNNXBMFYSA-N 1 0 358.438 4.461 20 5 FIBDRO C[C@@H]1Cc2ccccc2N1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000604483217 1115866461 /nfs/dbraw/zinc/86/64/61/1115866461.db2.gz GKKVXLXJUIEDLE-QGZVFWFLSA-N 1 0 365.477 4.053 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCSC(F)(F)F)cs2)c1 ZINC000172114637 1115916490 /nfs/dbraw/zinc/91/64/90/1115916490.db2.gz WAYMPIZFDMUORX-UHFFFAOYSA-N 1 0 363.386 4.061 20 5 FIBDRO O=[N+]([O-])c1c(NC2CC[NH+](CC3CCCC3)CC2)ccc2ncccc21 ZINC000063282627 1116033259 /nfs/dbraw/zinc/03/32/59/1116033259.db2.gz HSCIHXGSVMQADI-UHFFFAOYSA-N 1 0 354.454 4.210 20 5 FIBDRO C[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000173426604 1116065647 /nfs/dbraw/zinc/06/56/47/1116065647.db2.gz QLWXGTNEUHEVKO-QLJPJBMISA-N 1 0 355.221 4.286 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccccc1)C(C)C ZINC000063483746 1116073613 /nfs/dbraw/zinc/07/36/13/1116073613.db2.gz ABRBLWSPJJWACT-UHFFFAOYSA-N 1 0 355.438 4.142 20 5 FIBDRO C[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000174030175 1116107914 /nfs/dbraw/zinc/10/79/14/1116107914.db2.gz DHCRQEWKSVXCFD-IUDNXUCKSA-N 1 0 363.458 4.081 20 5 FIBDRO CC(C)(C)OCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000608782144 1116128414 /nfs/dbraw/zinc/12/84/14/1116128414.db2.gz FJOSVMMRKFKBLR-UHFFFAOYSA-N 1 0 362.401 4.431 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1CCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000608835522 1116130933 /nfs/dbraw/zinc/13/09/33/1116130933.db2.gz RHXFMBPAKJPEKE-INIZCTEOSA-N 1 0 357.454 4.209 20 5 FIBDRO Cc1ccccc1OCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000608836527 1116131356 /nfs/dbraw/zinc/13/13/56/1116131356.db2.gz OWSJFSBJLKAMIO-UHFFFAOYSA-N 1 0 352.390 4.332 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3Cc3ccccc3)co2)cc1 ZINC000534079381 1116156868 /nfs/dbraw/zinc/15/68/68/1116156868.db2.gz GFQLDLKGXUYQEJ-FQEVSTJZSA-N 1 0 363.417 4.457 20 5 FIBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000456274418 1116173850 /nfs/dbraw/zinc/17/38/50/1116173850.db2.gz MQRPDIRFSKIHPW-IBGZPJMESA-N 1 0 367.449 4.060 20 5 FIBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)ccc21 ZINC000456291105 1116174657 /nfs/dbraw/zinc/17/46/57/1116174657.db2.gz YSMAHVOTQUCIMX-KRWDZBQOSA-N 1 0 359.813 4.049 20 5 FIBDRO CC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)(C)c1ccccc1 ZINC000539422767 1116335108 /nfs/dbraw/zinc/33/51/08/1116335108.db2.gz AGFOELGJHQZEAU-IBGZPJMESA-N 1 0 369.465 4.188 20 5 FIBDRO CCS[C@H]1CCCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089897594 1116338629 /nfs/dbraw/zinc/33/86/29/1116338629.db2.gz VCPMTOHRKWSATD-KRWDZBQOSA-N 1 0 361.467 4.357 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000595052775 1116383156 /nfs/dbraw/zinc/38/31/56/1116383156.db2.gz VTYWYGXZELQDGQ-UONOGXRCSA-N 1 0 374.437 4.341 20 5 FIBDRO COc1ccccc1/C=C/C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000539834862 1116388657 /nfs/dbraw/zinc/38/86/57/1116388657.db2.gz QQGASPKWJGFNJC-GQCTYLIASA-N 1 0 368.433 4.160 20 5 FIBDRO Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(OC(F)F)cc1C ZINC000462751476 1117745302 /nfs/dbraw/zinc/74/53/02/1117745302.db2.gz XWWAEUNOVLZEJA-UHFFFAOYSA-N 1 0 350.365 4.145 20 5 FIBDRO CCc1ccc([C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000462832418 1117802561 /nfs/dbraw/zinc/80/25/61/1117802561.db2.gz HMGGRSGZCKKMGJ-MAODMQOUSA-N 1 0 370.449 4.387 20 5 FIBDRO Cc1cc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2[nH+]1 ZINC000462953759 1117881057 /nfs/dbraw/zinc/88/10/57/1117881057.db2.gz YLNVAQWKJDPUCC-UHFFFAOYSA-N 1 0 363.417 4.499 20 5 FIBDRO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540151630 1117906257 /nfs/dbraw/zinc/90/62/57/1117906257.db2.gz SVKHGJCUPFPBPF-BMIGLBTASA-N 1 0 374.384 4.287 20 5 FIBDRO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 ZINC000540153843 1117907489 /nfs/dbraw/zinc/90/74/89/1117907489.db2.gz JWWMPDDZFZMCCU-NVXWUHKLSA-N 1 0 364.449 4.371 20 5 FIBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1Cl ZINC000540168916 1117910912 /nfs/dbraw/zinc/91/09/12/1117910912.db2.gz IDMFQHJZAFHSSW-LLVKDONJSA-N 1 0 350.802 4.116 20 5 FIBDRO Cc1cnc(NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000463058034 1117952119 /nfs/dbraw/zinc/95/21/19/1117952119.db2.gz TXIPUPQOSCCMBO-QGZVFWFLSA-N 1 0 360.845 4.201 20 5 FIBDRO CCOc1ccccc1[C@@H](CC)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000540353488 1117998968 /nfs/dbraw/zinc/99/89/68/1117998968.db2.gz DLIGMUMLXAFGCI-KBXCAEBGSA-N 1 0 371.437 4.061 20 5 FIBDRO Cc1c(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000463279830 1118067433 /nfs/dbraw/zinc/06/74/33/1118067433.db2.gz GIKIDMSAIHEDEW-UHFFFAOYSA-N 1 0 373.884 4.311 20 5 FIBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000540607274 1118147417 /nfs/dbraw/zinc/14/74/17/1118147417.db2.gz MJISXAWQTQTEJY-SIFCLUCFSA-N 1 0 360.429 4.421 20 5 FIBDRO C[C@@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC[N@@H+]1C ZINC000540610965 1118150306 /nfs/dbraw/zinc/15/03/06/1118150306.db2.gz YVKWQWNKCHLRIJ-CHWSQXEVSA-N 1 0 363.845 4.081 20 5 FIBDRO C[C@@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000540789390 1118248242 /nfs/dbraw/zinc/24/82/42/1118248242.db2.gz PMIJMPCSZBSSJT-BRWVUGGUSA-N 1 0 369.465 4.377 20 5 FIBDRO Cc1cccc(C)c1[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000546936366 1118252565 /nfs/dbraw/zinc/25/25/65/1118252565.db2.gz UWENQVFGCFCIEQ-MRXNPFEDSA-N 1 0 355.438 4.199 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)cc1 ZINC000540809530 1118258053 /nfs/dbraw/zinc/25/80/53/1118258053.db2.gz MMXWILWSVHRWKF-UHFFFAOYSA-N 1 0 360.413 4.487 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000541626910 1118588040 /nfs/dbraw/zinc/58/80/40/1118588040.db2.gz ISNKUJLEEOKQQO-WDEREUQCSA-N 1 0 367.858 4.378 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]C2(Cc3ccccc3)CCCC2)c2c(c1)COCO2 ZINC000541700876 1118616760 /nfs/dbraw/zinc/61/67/60/1118616760.db2.gz FZFZWAGNUXJGFI-UHFFFAOYSA-N 1 0 368.433 4.106 20 5 FIBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000464780445 1118691914 /nfs/dbraw/zinc/69/19/14/1118691914.db2.gz SUFHBRFYLZMNSO-NVXWUHKLSA-N 1 0 352.500 4.488 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000464858894 1118726624 /nfs/dbraw/zinc/72/66/24/1118726624.db2.gz XEMYLJGEDXUHOU-KDOFPFPSSA-N 1 0 371.437 4.298 20 5 FIBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)C[C@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000464862012 1118728031 /nfs/dbraw/zinc/72/80/31/1118728031.db2.gz WGMHJGHFCSXNCJ-KSSFIOAISA-N 1 0 371.437 4.298 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc1 ZINC000443662687 1118751723 /nfs/dbraw/zinc/75/17/23/1118751723.db2.gz XJEMDEMSASRWAW-OAHLLOKOSA-N 1 0 369.396 4.297 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000609146254 1118823499 /nfs/dbraw/zinc/82/34/99/1118823499.db2.gz QPSWFQZYZXGQAV-UHFFFAOYSA-N 1 0 364.405 4.024 20 5 FIBDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000542247185 1118866331 /nfs/dbraw/zinc/86/63/31/1118866331.db2.gz PMODCCAOWGTOHB-RDTXWAMCSA-N 1 0 356.422 4.195 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1OCCc2sccc21 ZINC000492023973 1119005005 /nfs/dbraw/zinc/00/50/05/1119005005.db2.gz NVKXPLLAAWHSCC-HWPZZCPQSA-N 1 0 352.843 4.102 20 5 FIBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccco1 ZINC000443949271 1119107208 /nfs/dbraw/zinc/10/72/08/1119107208.db2.gz SCPUDGAUBQWGJJ-INIZCTEOSA-N 1 0 374.441 4.009 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000152214721 1119153192 /nfs/dbraw/zinc/15/31/92/1119153192.db2.gz KPDMQCFQJQNICH-JTQLQIEISA-N 1 0 359.373 4.272 20 5 FIBDRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-] ZINC000492719326 1119172314 /nfs/dbraw/zinc/17/23/14/1119172314.db2.gz DHDURPCTXVYMGC-LBPRGKRZSA-N 1 0 366.364 4.446 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000492912787 1119212353 /nfs/dbraw/zinc/21/23/53/1119212353.db2.gz QCGWLFRTFLOPAQ-IIBYNOLFSA-N 1 0 352.434 4.138 20 5 FIBDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000122613146 1119291620 /nfs/dbraw/zinc/29/16/20/1119291620.db2.gz ALJYXXVJLWVUFE-SFHVURJKSA-N 1 0 364.405 4.290 20 5 FIBDRO O=[N+]([O-])c1ccc(CNc2ccc(CC[NH+]3CCCC3)cc2)cc1Cl ZINC000761518148 1119408105 /nfs/dbraw/zinc/40/81/05/1119408105.db2.gz YBLLUXDURKEBQI-UHFFFAOYSA-N 1 0 359.857 4.499 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2nc(-c3ccncc3)cs2)cc1Cl ZINC000761525327 1119412049 /nfs/dbraw/zinc/41/20/49/1119412049.db2.gz FYYXMLSCAWKQGH-UHFFFAOYSA-N 1 0 374.853 4.099 20 5 FIBDRO C[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000761524535 1119412082 /nfs/dbraw/zinc/41/20/82/1119412082.db2.gz FKDVVUXMIIPQJG-YJBOKZPZSA-N 1 0 373.884 4.391 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000609194228 1119842167 /nfs/dbraw/zinc/84/21/67/1119842167.db2.gz GXFYBRVZKVXZEI-UHFFFAOYSA-N 1 0 371.412 4.040 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000494942203 1120391580 /nfs/dbraw/zinc/39/15/80/1120391580.db2.gz PYQGQDRKUACZSP-AUUYWEPGSA-N 1 0 374.412 4.000 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCCC(F)(F)C2)n1 ZINC000495008949 1120427055 /nfs/dbraw/zinc/42/70/55/1120427055.db2.gz ZAZPXTVRKQRLLM-QLFBSQMISA-N 1 0 356.417 4.080 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)cc1 ZINC000495038913 1120440765 /nfs/dbraw/zinc/44/07/65/1120440765.db2.gz OZXIPBBNSYCPCT-OXQOHEQNSA-N 1 0 358.413 4.034 20 5 FIBDRO CC(C)N(C)Cc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1 ZINC000761857085 1120555412 /nfs/dbraw/zinc/55/54/12/1120555412.db2.gz MGVIJFIHOOIVSM-UHFFFAOYSA-N 1 0 368.393 4.277 20 5 FIBDRO Cn1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c(-c2ccccc2)n1 ZINC000193278157 1120649633 /nfs/dbraw/zinc/64/96/33/1120649633.db2.gz PXUDNODSOGTNGB-FQEVSTJZSA-N 1 0 362.433 4.163 20 5 FIBDRO COC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000495379904 1120767077 /nfs/dbraw/zinc/76/70/77/1120767077.db2.gz NATJFPDSBWBMRW-MRXNPFEDSA-N 1 0 370.783 4.046 20 5 FIBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000542555799 1120785940 /nfs/dbraw/zinc/78/59/40/1120785940.db2.gz GFTZQPKRIPKPIJ-ZWNOBZJWSA-N 1 0 367.858 4.378 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000193386705 1120845604 /nfs/dbraw/zinc/84/56/04/1120845604.db2.gz QKIJSASHRGAASE-OAHLLOKOSA-N 1 0 367.449 4.387 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000193422604 1120884448 /nfs/dbraw/zinc/88/44/48/1120884448.db2.gz VCGZCWLERJTSFJ-UHFFFAOYSA-N 1 0 356.397 4.137 20 5 FIBDRO O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000193456855 1120912134 /nfs/dbraw/zinc/91/21/34/1120912134.db2.gz GXWHTEOVFSCQCR-UHFFFAOYSA-N 1 0 367.449 4.152 20 5 FIBDRO CCC[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090540036 1120965301 /nfs/dbraw/zinc/96/53/01/1120965301.db2.gz PDIKGHPMVSZVRB-RYQLBKOJSA-N 1 0 350.484 4.080 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000153656298 1121006925 /nfs/dbraw/zinc/00/69/25/1121006925.db2.gz JMDAWNOUGGTOIR-AWEZNQCLSA-N 1 0 354.385 4.079 20 5 FIBDRO C[C@@H]1C[C@@H]1C[NH+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc([N+](=O)[O-])c1 ZINC000915634965 1121012270 /nfs/dbraw/zinc/01/22/70/1121012270.db2.gz QAVCOHOOLYNRLD-RHSMWYFYSA-N 1 0 355.394 4.161 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000194168818 1121225073 /nfs/dbraw/zinc/22/50/73/1121225073.db2.gz ZISXNRUEAFUNDE-NSHDSACASA-N 1 0 365.227 4.217 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488076397 1121408571 /nfs/dbraw/zinc/40/85/71/1121408571.db2.gz MXWSYTOVEQVWRQ-IRXDYDNUSA-N 1 0 368.481 4.234 20 5 FIBDRO CCc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000916149142 1121433405 /nfs/dbraw/zinc/43/34/05/1121433405.db2.gz TWEGNQOZUBOHLU-GFCCVEGCSA-N 1 0 361.829 4.100 20 5 FIBDRO C[C@H](O)C[C@H](C)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000123545168 1121612730 /nfs/dbraw/zinc/61/27/30/1121612730.db2.gz UQIZKEJVKGJFAR-KBPBESRZSA-N 1 0 362.401 4.023 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H](CCO)c3ccccc3)o2)c1 ZINC000124452183 1121696034 /nfs/dbraw/zinc/69/60/34/1121696034.db2.gz NTBMYOODLPKTCF-LJQANCHMSA-N 1 0 352.390 4.068 20 5 FIBDRO Cc1c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)sc2nc(C)nc(C)c12 ZINC000916836715 1121876886 /nfs/dbraw/zinc/87/68/86/1121876886.db2.gz NVAMRHJIXBPGOK-LLVKDONJSA-N 1 0 356.451 4.376 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2csc(C(C)C)n2)cc1[N+](=O)[O-] ZINC000153502051 1122111649 /nfs/dbraw/zinc/11/16/49/1122111649.db2.gz DZUSLYVEMXLTBJ-CYBMUJFWSA-N 1 0 363.483 4.467 20 5 FIBDRO C[C@@](O)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000765815871 1122122347 /nfs/dbraw/zinc/12/23/47/1122122347.db2.gz LMWHCCZQZFETJX-AZUAARDMSA-N 1 0 374.868 4.067 20 5 FIBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301465699 1122124039 /nfs/dbraw/zinc/12/40/39/1122124039.db2.gz XEFQSIULPONIKZ-JTQLQIEISA-N 1 0 365.783 4.045 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000153544417 1122124591 /nfs/dbraw/zinc/12/45/91/1122124591.db2.gz MINCFXMVMOBAGO-AWEZNQCLSA-N 1 0 372.421 4.006 20 5 FIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCC3)CC2)c(Br)c1 ZINC000301545586 1122218159 /nfs/dbraw/zinc/21/81/59/1122218159.db2.gz PGSGWIQOYGSYRE-UHFFFAOYSA-N 1 0 368.275 4.176 20 5 FIBDRO Cc1cc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)ccc1[N+](=O)[O-] ZINC000301554934 1122220130 /nfs/dbraw/zinc/22/01/30/1122220130.db2.gz HFWQURZZLADPRJ-KRWDZBQOSA-N 1 0 369.465 4.215 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000301593998 1122229886 /nfs/dbraw/zinc/22/98/86/1122229886.db2.gz VBCBLQWRWTVBNP-KRWDZBQOSA-N 1 0 369.465 4.215 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1[N+](=O)[O-] ZINC000123023448 1122233234 /nfs/dbraw/zinc/23/32/34/1122233234.db2.gz YDMLVNSEFFHJRK-QGZVFWFLSA-N 1 0 353.466 4.350 20 5 FIBDRO CCC1CCC([N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C2CC2)CC1 ZINC000917439643 1122305607 /nfs/dbraw/zinc/30/56/07/1122305607.db2.gz ALORVKBUCNEWRF-UHFFFAOYSA-N 1 0 369.469 4.244 20 5 FIBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1OC ZINC000609289030 1122843971 /nfs/dbraw/zinc/84/39/71/1122843971.db2.gz OHFZGSCEMLMOQD-OAHLLOKOSA-N 1 0 372.465 4.456 20 5 FIBDRO COc1ccccc1COC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000556981217 1123288924 /nfs/dbraw/zinc/28/89/24/1123288924.db2.gz UVNKWMHYGHROET-MRXNPFEDSA-N 1 0 370.449 4.346 20 5 FIBDRO CCC(CC)(CNC(=O)c1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000609549436 1123754296 /nfs/dbraw/zinc/75/42/96/1123754296.db2.gz CNPRNONLVUFOQT-INIZCTEOSA-N 1 0 369.465 4.234 20 5 FIBDRO Cc1ccnc(NCc2ccccc2C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000609670157 1123789458 /nfs/dbraw/zinc/78/94/58/1123789458.db2.gz RNHWPLFAPCWKCD-UHFFFAOYSA-N 1 0 354.454 4.286 20 5 FIBDRO Cc1ccc([C@H](C)C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000610009973 1123915820 /nfs/dbraw/zinc/91/58/20/1123915820.db2.gz MPAPYZGIYLDXGV-CYBMUJFWSA-N 1 0 350.365 4.398 20 5 FIBDRO C[C@](CO)([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 ZINC000237636481 1124002890 /nfs/dbraw/zinc/00/28/90/1124002890.db2.gz FRMUGQOHENFIJD-HXUWFJFHSA-N 1 0 368.458 4.321 20 5 FIBDRO O=[N+]([O-])c1cccc(CN(Cc2c(C3CC3)nc3sccn23)C2CC2)c1 ZINC000179694830 1124032685 /nfs/dbraw/zinc/03/26/85/1124032685.db2.gz CJKBHDFMSWNNOU-UHFFFAOYSA-N 1 0 368.462 4.346 20 5 FIBDRO COc1ccccc1OCCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000615721257 1124105114 /nfs/dbraw/zinc/10/51/14/1124105114.db2.gz PCMWIKFHMGJRKG-SSZFMOIBSA-N 1 0 356.422 4.065 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000615724144 1124107661 /nfs/dbraw/zinc/10/76/61/1124107661.db2.gz NJLIGQFKINUDKL-CRPZLVSXSA-N 1 0 373.403 4.145 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCOC3)o2)c(Cl)c1 ZINC000237816191 1124113634 /nfs/dbraw/zinc/11/36/34/1124113634.db2.gz IBTQMCWPXJXZTA-LBPRGKRZSA-N 1 0 350.802 4.024 20 5 FIBDRO CCOC(=O)CC[C@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000615834551 1124127612 /nfs/dbraw/zinc/12/76/12/1124127612.db2.gz ODFUOJQMOZWTMX-NWNNTGRJSA-N 1 0 360.454 4.053 20 5 FIBDRO CCOC(=O)CCC1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000615835179 1124128811 /nfs/dbraw/zinc/12/88/11/1124128811.db2.gz XLOANQVLQJJAKJ-SSZFMOIBSA-N 1 0 360.454 4.053 20 5 FIBDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)cc1F ZINC000153655371 1124183833 /nfs/dbraw/zinc/18/38/33/1124183833.db2.gz QUTKWTAJNBSQIW-CYBMUJFWSA-N 1 0 362.401 4.382 20 5 FIBDRO CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765849018 1124193763 /nfs/dbraw/zinc/19/37/63/1124193763.db2.gz NZBANMVCFLMJQW-KKSFZXQISA-N 1 0 372.465 4.404 20 5 FIBDRO COc1ccc2oc([C@H](C)[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)c(C)c2c1 ZINC000765850386 1124204872 /nfs/dbraw/zinc/20/48/72/1124204872.db2.gz YAAVJOVBHLMEFV-UGSOOPFHSA-N 1 0 370.405 4.042 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2cccc3c2OCO3)s1 ZINC000237959966 1124207071 /nfs/dbraw/zinc/20/70/71/1124207071.db2.gz NGSVEANWBFBNFY-UHFFFAOYSA-N 1 0 368.414 4.342 20 5 FIBDRO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765849871 1124209143 /nfs/dbraw/zinc/20/91/43/1124209143.db2.gz SLFJQQHPYKBSKS-QRWLVFNGSA-N 1 0 358.438 4.014 20 5 FIBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000765850686 1124214405 /nfs/dbraw/zinc/21/44/05/1124214405.db2.gz ZJUPVPXYHRSIIK-HOTGVXAUSA-N 1 0 364.854 4.108 20 5 FIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000180152933 1124243520 /nfs/dbraw/zinc/24/35/20/1124243520.db2.gz OHYMVQJEOKGVSK-UHFFFAOYSA-N 1 0 373.478 4.409 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)c2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000765879015 1124323054 /nfs/dbraw/zinc/32/30/54/1124323054.db2.gz HUCPIRBRKPCHSM-QVKFZJNVSA-N 1 0 350.418 4.441 20 5 FIBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180692520 1124405018 /nfs/dbraw/zinc/40/50/18/1124405018.db2.gz KIVZKSDGFQNFNT-IRXDYDNUSA-N 1 0 368.355 4.388 20 5 FIBDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000554887956 1124727479 /nfs/dbraw/zinc/72/74/79/1124727479.db2.gz NFDGPHLGBRHFPA-IBGZPJMESA-N 1 0 360.479 4.308 20 5 FIBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000181309275 1124850965 /nfs/dbraw/zinc/85/09/65/1124850965.db2.gz YKWAZVCMQKKGAO-MRXNPFEDSA-N 1 0 363.417 4.386 20 5 FIBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c(Cl)c1 ZINC000301250297 1125075585 /nfs/dbraw/zinc/07/55/85/1125075585.db2.gz BDGXPWSHDLDWSQ-GFCCVEGCSA-N 1 0 366.874 4.029 20 5 FIBDRO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)(C)c1ccccc1 ZINC000181794682 1125137515 /nfs/dbraw/zinc/13/75/15/1125137515.db2.gz DPSYVSUBVREQBG-AWEZNQCLSA-N 1 0 366.421 4.101 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)OC(C)C)cc2)cc1[N+](=O)[O-] ZINC000181834369 1125154179 /nfs/dbraw/zinc/15/41/79/1125154179.db2.gz VMGUIXWRGWRZBB-HNNXBMFYSA-N 1 0 356.422 4.319 20 5 FIBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC000255125354 1125184643 /nfs/dbraw/zinc/18/46/43/1125184643.db2.gz KOCMENLCLOPPSL-XFFZJAGNSA-N 1 0 365.477 4.204 20 5 FIBDRO C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311547107 1125185847 /nfs/dbraw/zinc/18/58/47/1125185847.db2.gz OUOZAOGHOCYDRE-YJBOKZPZSA-N 1 0 373.884 4.248 20 5 FIBDRO C[C@@H]1C[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301740800 1125190547 /nfs/dbraw/zinc/19/05/47/1125190547.db2.gz KQQNUODPIQCBJE-CJNGLKHVSA-N 1 0 360.845 4.108 20 5 FIBDRO C[C@@H]1C[C@@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301748819 1125194501 /nfs/dbraw/zinc/19/45/01/1125194501.db2.gz SOWMJELOEDTRRJ-PBHICJAKSA-N 1 0 374.872 4.133 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000301750041 1125194768 /nfs/dbraw/zinc/19/47/68/1125194768.db2.gz ALAZXKDLNQEAJQ-WBMJQRKESA-N 1 0 369.387 4.067 20 5 FIBDRO C[C@H](O)[C@](C)(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000618577760 1125209443 /nfs/dbraw/zinc/20/94/43/1125209443.db2.gz FCZBEBZMONPALP-SSKFGXFMSA-N 1 0 368.477 4.192 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC(CCC[NH+]3CCCC3)CC2)c2ncccc12 ZINC000301798989 1125299636 /nfs/dbraw/zinc/29/96/36/1125299636.db2.gz RHXJZECYEPPBDC-UHFFFAOYSA-N 1 0 368.481 4.235 20 5 FIBDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618985172 1125411193 /nfs/dbraw/zinc/41/11/93/1125411193.db2.gz JNIVTMKBHIVRLT-RBUKOAKNSA-N 1 0 368.433 4.439 20 5 FIBDRO CC1CC[NH+](Cc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000047402072 205146498 /nfs/dbraw/zinc/14/64/98/205146498.db2.gz XDETWXPTKHRATO-UHFFFAOYSA-N 1 0 353.422 4.079 20 5 FIBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000052212632 205186207 /nfs/dbraw/zinc/18/62/07/205186207.db2.gz ABNRMLPRUXWNAU-GOSISDBHSA-N 1 0 364.405 4.290 20 5 FIBDRO CC(C)(CNC(=O)c1cc2ccccc2c2cccnc12)[NH+]1CCCCC1 ZINC000108107541 206027711 /nfs/dbraw/zinc/02/77/11/206027711.db2.gz HHXPVCMELWMSDE-UHFFFAOYSA-N 1 0 361.489 4.382 20 5 FIBDRO COc1ccc(CCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000481411805 567905391 /nfs/dbraw/zinc/90/53/91/567905391.db2.gz IHWMTJFYHBYSNU-OAHLLOKOSA-N 1 0 358.438 4.204 20 5 FIBDRO CC(C)[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000584665112 567940635 /nfs/dbraw/zinc/94/06/35/567940635.db2.gz AENIFABBJYWNPJ-LAUBAEHRSA-N 1 0 368.433 4.340 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)COc2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000481542360 568044413 /nfs/dbraw/zinc/04/44/13/568044413.db2.gz IVRBRXQILYOZND-WCQYABFASA-N 1 0 350.365 4.300 20 5 FIBDRO C[C@H]([NH2+]C1(CNc2c(F)cccc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000568612490 568087641 /nfs/dbraw/zinc/08/76/41/568087641.db2.gz OAGOYTJKCYSRCM-HNNXBMFYSA-N 1 0 373.428 4.046 20 5 FIBDRO COc1ncc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl ZINC000568775802 568206835 /nfs/dbraw/zinc/20/68/35/568206835.db2.gz DMOROGQZWZMFDU-JTQLQIEISA-N 1 0 370.236 4.199 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)C1CC1 ZINC000482003934 568226201 /nfs/dbraw/zinc/22/62/01/568226201.db2.gz GRXGVIHIMUXLLD-FQEVSTJZSA-N 1 0 367.424 4.369 20 5 FIBDRO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000482015567 568230738 /nfs/dbraw/zinc/23/07/38/568230738.db2.gz ZDUDICMFOURJDD-APWZRJJASA-N 1 0 357.454 4.292 20 5 FIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)Cc2cccnc2)cc1OC ZINC000541985670 568302396 /nfs/dbraw/zinc/30/23/96/568302396.db2.gz HOUDBBYXSVEGGI-HNNXBMFYSA-N 1 0 373.453 4.055 20 5 FIBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302035185 568313189 /nfs/dbraw/zinc/31/31/89/568313189.db2.gz FGEZMSAMLZOEJO-STQMWFEESA-N 1 0 369.412 4.261 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165047033 721967760 /nfs/dbraw/zinc/96/77/60/721967760.db2.gz IFEFFIXBMPPCGH-GFCCVEGCSA-N 1 0 373.284 4.141 20 5 FIBDRO CC[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1c(C)noc1C ZINC000182412699 1125470462 /nfs/dbraw/zinc/47/04/62/1125470462.db2.gz OPIXEGXBILCLLL-MRXNPFEDSA-N 1 0 370.409 4.138 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](c2cccnc2)C(C)C)cc1[N+](=O)[O-] ZINC000154165288 1125503006 /nfs/dbraw/zinc/50/30/06/1125503006.db2.gz FGSFERDRACQHJW-MAUKXSAKSA-N 1 0 357.454 4.479 20 5 FIBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)c1ccco1 ZINC000078613026 1125577756 /nfs/dbraw/zinc/57/77/56/1125577756.db2.gz DJTRHHCQGGDXGG-KRWDZBQOSA-N 1 0 354.410 4.231 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000619509968 1125602868 /nfs/dbraw/zinc/60/28/68/1125602868.db2.gz XYGWDYIQGYYTII-DOTOQJQBSA-N 1 0 353.422 4.007 20 5 FIBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1C[C@H](c3cccc(Cl)c3)C1)OCCO2 ZINC000619551287 1125614276 /nfs/dbraw/zinc/61/42/76/1125614276.db2.gz UUJQBLLTVHTYBF-SAZUREKKSA-N 1 0 374.824 4.055 20 5 FIBDRO Cc1cc([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)s1 ZINC000182982217 1125709307 /nfs/dbraw/zinc/70/93/07/1125709307.db2.gz KCQAPJGMJNBHQS-CYBMUJFWSA-N 1 0 361.467 4.261 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cnn1-c1ccc(F)cc1 ZINC000182998600 1125713840 /nfs/dbraw/zinc/71/38/40/1125713840.db2.gz MTPXUBFDRJNHOG-CQSZACIVSA-N 1 0 368.412 4.387 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000183145450 1125757274 /nfs/dbraw/zinc/75/72/74/1125757274.db2.gz LPNWZSDJNAYAOS-CYBMUJFWSA-N 1 0 356.813 4.285 20 5 FIBDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000183145584 1125757421 /nfs/dbraw/zinc/75/74/21/1125757421.db2.gz JROKICVXPIURIR-OAHLLOKOSA-N 1 0 350.422 4.248 20 5 FIBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000046156095 1079586076 /nfs/dbraw/zinc/58/60/76/1079586076.db2.gz JMYUHQWHTUJXGP-INIZCTEOSA-N 1 0 367.449 4.008 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCCOc4ccccc43)CC2)cc1 ZINC000133690276 1079784931 /nfs/dbraw/zinc/78/49/31/1079784931.db2.gz QJLKVOZZVCKBSF-FQEVSTJZSA-N 1 0 367.449 4.067 20 5 FIBDRO Cc1cc(N2CC3(CC[NH2+]CC3)c3ccccc32)nc2ccc([N+](=O)[O-])cc12 ZINC001167068975 1079978074 /nfs/dbraw/zinc/97/80/74/1079978074.db2.gz GMLQECUNCRHFGA-UHFFFAOYSA-N 1 0 374.444 4.224 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000430230398 1080036344 /nfs/dbraw/zinc/03/63/44/1080036344.db2.gz YMUXOZUWYHHIOA-LLVKDONJSA-N 1 0 354.328 4.473 20 5 FIBDRO Cc1cc(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000157612578 1080037263 /nfs/dbraw/zinc/03/72/63/1080037263.db2.gz HDETZBUWTLVSGL-QGZVFWFLSA-N 1 0 373.497 4.020 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134450191 1080232229 /nfs/dbraw/zinc/23/22/29/1080232229.db2.gz JEQYOWLWROEZRE-LBPRGKRZSA-N 1 0 371.384 4.450 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000134460960 1080233767 /nfs/dbraw/zinc/23/37/67/1080233767.db2.gz KHUBHSHWBRDGAA-GFCCVEGCSA-N 1 0 371.384 4.450 20 5 FIBDRO CC[NH+](CC)Cc1ccccc1CNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000535629146 1080438837 /nfs/dbraw/zinc/43/88/37/1080438837.db2.gz SWLYMKAFTLTDMF-UHFFFAOYSA-N 1 0 361.417 4.196 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000165372168 1080601620 /nfs/dbraw/zinc/60/16/20/1080601620.db2.gz QMPKYMNRHSKUSS-MRXNPFEDSA-N 1 0 371.456 4.358 20 5 FIBDRO C[NH2+]Cc1cn(-c2nc(Cl)cc(Cl)c2[N+](=O)[O-])c2ccc(C)cc12 ZINC001167124640 1080630269 /nfs/dbraw/zinc/63/02/69/1080630269.db2.gz ZCLKWPVVXWITPL-UHFFFAOYSA-N 1 0 365.220 4.268 20 5 FIBDRO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000247027307 1080710170 /nfs/dbraw/zinc/71/01/70/1080710170.db2.gz MDOYKFVAZBFHOF-ZSZQSSIHSA-N 1 0 359.495 4.390 20 5 FIBDRO CC[C@H](C)[N@H+](CCc1ccccc1F)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001167244070 1080901795 /nfs/dbraw/zinc/90/17/95/1080901795.db2.gz FJYIHZFTANGGGT-YWZLYKJASA-N 1 0 360.429 4.111 20 5 FIBDRO CCCn1c2ccccc2nc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000578698791 1081150254 /nfs/dbraw/zinc/15/02/54/1081150254.db2.gz JOERREPUCBNZGA-UHFFFAOYSA-N 1 0 352.438 4.029 20 5 FIBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000536021099 1081415953 /nfs/dbraw/zinc/41/59/53/1081415953.db2.gz AMXDDXQHPOGXQI-INIZCTEOSA-N 1 0 351.328 4.212 20 5 FIBDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000560884926 1081586334 /nfs/dbraw/zinc/58/63/34/1081586334.db2.gz REQYVJSPKVDMOD-INIZCTEOSA-N 1 0 364.449 4.372 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H](Cc4ccccc4)C3)co2)cc1 ZINC000536365420 1081827702 /nfs/dbraw/zinc/82/77/02/1081827702.db2.gz JVJPJGLTQTVYMV-QGZVFWFLSA-N 1 0 363.417 4.314 20 5 FIBDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420479 1081839484 /nfs/dbraw/zinc/83/94/84/1081839484.db2.gz UWDSPVCZYSOAPJ-ZIAGYGMSSA-N 1 0 361.392 4.050 20 5 FIBDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420500 1081839791 /nfs/dbraw/zinc/83/97/91/1081839791.db2.gz ZXVAMPVKAJDUGW-CABCVRRESA-N 1 0 359.857 4.425 20 5 FIBDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420478 1081840286 /nfs/dbraw/zinc/84/02/86/1081840286.db2.gz UWDSPVCZYSOAPJ-UONOGXRCSA-N 1 0 361.392 4.050 20 5 FIBDRO C[C@@H]([NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1)c1cccc([N+](=O)[O-])c1 ZINC000610420486 1081840521 /nfs/dbraw/zinc/84/05/21/1081840521.db2.gz VMMMYOZPSCLVQA-BEFAXECRSA-N 1 0 374.444 4.260 20 5 FIBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cccc(CO)c1C ZINC001211166788 1082002010 /nfs/dbraw/zinc/00/20/10/1082002010.db2.gz AZLWNGKYQURGLY-UHFFFAOYSA-N 1 0 373.456 4.045 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)s1 ZINC000119191417 1082008088 /nfs/dbraw/zinc/00/80/88/1082008088.db2.gz XCULHFGZAOGFNX-AZUAARDMSA-N 1 0 366.442 4.071 20 5 FIBDRO COCc1cccc(OCC2(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000579745496 1082043652 /nfs/dbraw/zinc/04/36/52/1082043652.db2.gz SZDVAUOBZGDCJN-MRXNPFEDSA-N 1 0 370.449 4.251 20 5 FIBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000537647485 1082106257 /nfs/dbraw/zinc/10/62/57/1082106257.db2.gz LYDKQNPXRXQCRX-INIZCTEOSA-N 1 0 373.522 4.487 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000156715812 1082240129 /nfs/dbraw/zinc/24/01/29/1082240129.db2.gz QLGQXYWTPXIJNE-JKSUJKDBSA-N 1 0 367.449 4.442 20 5 FIBDRO Cc1cccc(C)c1NC(=O)CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000177887741 1082273490 /nfs/dbraw/zinc/27/34/90/1082273490.db2.gz DHXPRLLMCBZQOS-UHFFFAOYSA-N 1 0 355.438 4.062 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000177938485 1082351919 /nfs/dbraw/zinc/35/19/19/1082351919.db2.gz PONYFEHYAQYRQN-SZNDQCEHSA-N 1 0 368.433 4.476 20 5 FIBDRO CCC[C@@H]([NH2+]CCc1ccc(NC(C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000165649129 1082528213 /nfs/dbraw/zinc/52/82/13/1082528213.db2.gz RFETZTNGDAXWBS-HXUWFJFHSA-N 1 0 355.438 4.227 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(Br)cc2Cl)cc1 ZINC000135174714 1082561825 /nfs/dbraw/zinc/56/18/25/1082561825.db2.gz IWXIRJWOXZGAEJ-UHFFFAOYSA-N 1 0 369.646 4.343 20 5 FIBDRO Cc1ccc2nc(CNCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cn2c1 ZINC000561467894 1082615429 /nfs/dbraw/zinc/61/54/29/1082615429.db2.gz MBMJSQPKVJAVBA-UHFFFAOYSA-N 1 0 362.389 4.101 20 5 FIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1csc(Br)c1 ZINC000064994439 1082723750 /nfs/dbraw/zinc/72/37/50/1082723750.db2.gz LHHZGMWLAFYPRM-UHFFFAOYSA-N 1 0 355.257 4.093 20 5 FIBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000610539465 1082908575 /nfs/dbraw/zinc/90/85/75/1082908575.db2.gz RRUZWKXBONGXMY-SJCJKPOMSA-N 1 0 361.829 4.316 20 5 FIBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001167487149 1082956300 /nfs/dbraw/zinc/95/63/00/1082956300.db2.gz GKDZKSQJBPEABD-FPOVZHCZSA-N 1 0 356.466 4.280 20 5 FIBDRO COc1cc(CNCc2ccco2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000101588725 1083006668 /nfs/dbraw/zinc/00/66/68/1083006668.db2.gz CETJHOIEZKCXIL-UHFFFAOYSA-N 1 0 368.389 4.065 20 5 FIBDRO C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1cccc(F)c1 ZINC000610582290 1083212787 /nfs/dbraw/zinc/21/27/87/1083212787.db2.gz BMMGTKLCKQXPQU-CWTRNNRKSA-N 1 0 355.369 4.458 20 5 FIBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1sccc1Br ZINC000548394910 1083224661 /nfs/dbraw/zinc/22/46/61/1083224661.db2.gz GBFXBZGRVFLRHC-SNVBAGLBSA-N 1 0 355.257 4.312 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(Sc3ccccn3)o2)cc1 ZINC000510872273 1083350808 /nfs/dbraw/zinc/35/08/08/1083350808.db2.gz NXHFRVPUJPKBMC-UHFFFAOYSA-N 1 0 355.419 4.066 20 5 FIBDRO Cc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)s1 ZINC000179372330 1083395173 /nfs/dbraw/zinc/39/51/73/1083395173.db2.gz OIZNCHTWTHESQN-QWHCGFSZSA-N 1 0 361.467 4.259 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(COC)c2)cc1[N+](=O)[O-] ZINC000179425556 1083457777 /nfs/dbraw/zinc/45/77/77/1083457777.db2.gz IZGLRUWPBDMQRY-ZDUSSCGKSA-N 1 0 362.401 4.130 20 5 FIBDRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000179623380 1083574303 /nfs/dbraw/zinc/57/43/03/1083574303.db2.gz BFZZCUOWPNUNPI-LBPRGKRZSA-N 1 0 364.829 4.425 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614235773 1083579123 /nfs/dbraw/zinc/57/91/23/1083579123.db2.gz GIHKHDWMDKNBQZ-IRXDYDNUSA-N 1 0 364.449 4.418 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614235774 1083579228 /nfs/dbraw/zinc/57/92/28/1083579228.db2.gz GIHKHDWMDKNBQZ-SJORKVTESA-N 1 0 364.449 4.418 20 5 FIBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000535719389 1083607961 /nfs/dbraw/zinc/60/79/61/1083607961.db2.gz VDRVJAXXTVNNHZ-KRWDZBQOSA-N 1 0 355.438 4.371 20 5 FIBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000535719390 1083608018 /nfs/dbraw/zinc/60/80/18/1083608018.db2.gz VDRVJAXXTVNNHZ-QGZVFWFLSA-N 1 0 355.438 4.371 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)cc1[N+](=O)[O-] ZINC000610813198 1083737726 /nfs/dbraw/zinc/73/77/26/1083737726.db2.gz PFLGFCVNGFLKHB-CJNGLKHVSA-N 1 0 361.392 4.111 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@@H](Cn2cccn2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000610821892 1083748611 /nfs/dbraw/zinc/74/86/11/1083748611.db2.gz NWLYZKIQJHYUEO-APWZRJJASA-N 1 0 350.422 4.192 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)COC4)o2)cc1 ZINC000610898773 1083793215 /nfs/dbraw/zinc/79/32/15/1083793215.db2.gz DSKZLUXWCULFNJ-UHFFFAOYSA-N 1 0 350.374 4.175 20 5 FIBDRO C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548933640 1083844053 /nfs/dbraw/zinc/84/40/53/1083844053.db2.gz IMIAIWKFSXGDLC-HNNXBMFYSA-N 1 0 351.406 4.485 20 5 FIBDRO CC(=O)c1ccc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000065202239 1083860464 /nfs/dbraw/zinc/86/04/64/1083860464.db2.gz KUYSPPCPVYOEKS-GOSISDBHSA-N 1 0 367.449 4.122 20 5 FIBDRO C[C@H](c1cccs1)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000472440976 1083911282 /nfs/dbraw/zinc/91/12/82/1083911282.db2.gz SVKWOJKJJXQFDN-OAHLLOKOSA-N 1 0 356.451 4.116 20 5 FIBDRO CN(C)[C@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000179980879 1083948104 /nfs/dbraw/zinc/94/81/04/1083948104.db2.gz WRUKZWVKSMEMMY-TZIWHRDSSA-N 1 0 365.433 4.170 20 5 FIBDRO Cc1c([C@H](C)[NH2+]CCc2nc(-c3ccncc3)cs2)cccc1[N+](=O)[O-] ZINC000539075154 1084310357 /nfs/dbraw/zinc/31/03/57/1084310357.db2.gz XVWMKTSRXFBOHD-AWEZNQCLSA-N 1 0 368.462 4.315 20 5 FIBDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc(OC)c1OC ZINC000157441121 1084383085 /nfs/dbraw/zinc/38/30/85/1084383085.db2.gz XWKSCGZOAIRBEM-ZIAGYGMSSA-N 1 0 374.437 4.341 20 5 FIBDRO CCOc1ccc([C@@H]2CCCN2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000511050649 1084397623 /nfs/dbraw/zinc/39/76/23/1084397623.db2.gz HXKPWVPSTWLTJB-IBGZPJMESA-N 1 0 366.421 4.207 20 5 FIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(-c2ccc(F)cc2)no1 ZINC000511063113 1084555387 /nfs/dbraw/zinc/55/53/87/1084555387.db2.gz GOWSYHLWAGOJQW-UHFFFAOYSA-N 1 0 355.369 4.063 20 5 FIBDRO Cc1cc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)ccc1F ZINC000539425927 1084561107 /nfs/dbraw/zinc/56/11/07/1084561107.db2.gz ZFPGDZAUUIEANV-DJJJIMSYSA-N 1 0 371.412 4.110 20 5 FIBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 ZINC000072027259 1084585590 /nfs/dbraw/zinc/58/55/90/1084585590.db2.gz JKCPPIFXCXSSOD-MRXNPFEDSA-N 1 0 353.344 4.328 20 5 FIBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000051429035 1084608345 /nfs/dbraw/zinc/60/83/45/1084608345.db2.gz FCWIPWMFCKEYOW-MRXNPFEDSA-N 1 0 369.446 4.420 20 5 FIBDRO COc1cccc(C2(C[NH2+]C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000582031991 1084655810 /nfs/dbraw/zinc/65/58/10/1084655810.db2.gz LTIFNSSFGOUXSB-LFIBNONCSA-N 1 0 352.434 4.328 20 5 FIBDRO CC(=O)c1cc(N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000582459076 1084695078 /nfs/dbraw/zinc/69/50/78/1084695078.db2.gz WHFCURMRJIGRHD-XOBRGWDASA-N 1 0 355.438 4.209 20 5 FIBDRO CCC[C@H]([NH2+][C@@H]1CCc2cnn(C(C)C)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000478161048 1084916967 /nfs/dbraw/zinc/91/69/67/1084916967.db2.gz AUDRCGVBQCKEGU-MJGOQNOKSA-N 1 0 356.470 4.361 20 5 FIBDRO C[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000158207106 1084951806 /nfs/dbraw/zinc/95/18/06/1084951806.db2.gz PFGZJLQVDQGZQA-CQSZACIVSA-N 1 0 370.478 4.340 20 5 FIBDRO Cc1ccn(-c2ccccc2C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000127586933 1084958001 /nfs/dbraw/zinc/95/80/01/1084958001.db2.gz VSNPGMLXZLVGMU-MRXNPFEDSA-N 1 0 350.422 4.248 20 5 FIBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000658959169 1084998477 /nfs/dbraw/zinc/99/84/77/1084998477.db2.gz WCVQDJSYRBTLKB-LJQANCHMSA-N 1 0 373.500 4.240 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CC2CCC2)c2ccccc2)c2c(c1)COCO2 ZINC000180370560 1085076836 /nfs/dbraw/zinc/07/68/36/1085076836.db2.gz FUOKSKGVGDYMFG-HXUWFJFHSA-N 1 0 368.433 4.482 20 5 FIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000479096583 1085088249 /nfs/dbraw/zinc/08/82/49/1085088249.db2.gz GQAMPMJHZIQBOP-KSSFIOAISA-N 1 0 364.405 4.023 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000124569512 1085165213 /nfs/dbraw/zinc/16/52/13/1085165213.db2.gz JDMGRCBCOGBJMY-ISPXXFMDSA-N 1 0 352.434 4.054 20 5 FIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(OC[C@@H]2CCOC2)c1 ZINC000124943138 1085219547 /nfs/dbraw/zinc/21/95/47/1085219547.db2.gz DBVZPGSFHCQPHX-IAGOWNOFSA-N 1 0 370.449 4.169 20 5 FIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCc2ccccc2C1 ZINC000106888031 1085238318 /nfs/dbraw/zinc/23/83/18/1085238318.db2.gz APWOBTTXECHSBE-CQSZACIVSA-N 1 0 364.405 4.154 20 5 FIBDRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000479877902 1085329521 /nfs/dbraw/zinc/32/95/21/1085329521.db2.gz ZPBRPRPDHFGCEC-OXJNMPFZSA-N 1 0 369.465 4.091 20 5 FIBDRO CCC(=O)c1ccc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000480080338 1085412472 /nfs/dbraw/zinc/41/24/72/1085412472.db2.gz FWOPIMWLZYSZQU-YLJYHZDGSA-N 1 0 353.422 4.045 20 5 FIBDRO CCOc1ccc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000480081481 1085414287 /nfs/dbraw/zinc/41/42/87/1085414287.db2.gz FVCHVQNBOLINSE-OAHLLOKOSA-N 1 0 358.438 4.286 20 5 FIBDRO COc1ccc([C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000480082300 1085414305 /nfs/dbraw/zinc/41/43/05/1085414305.db2.gz KWJKRMHCELDAKH-IERDGZPVSA-N 1 0 369.465 4.091 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000480096755 1085427594 /nfs/dbraw/zinc/42/75/94/1085427594.db2.gz RUWLJQYCTVWICA-APWZRJJASA-N 1 0 357.454 4.374 20 5 FIBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000472245323 1085442398 /nfs/dbraw/zinc/44/23/98/1085442398.db2.gz XBYZAUNCOGDRER-HXUWFJFHSA-N 1 0 368.412 4.042 20 5 FIBDRO CC(C)c1ccc(C[NH2+]CCc2nc3c(cccc3F)n2C)cc1[N+](=O)[O-] ZINC000236717226 1085475319 /nfs/dbraw/zinc/47/53/19/1085475319.db2.gz NNPMGKBWOUEYNT-UHFFFAOYSA-N 1 0 370.428 4.076 20 5 FIBDRO C[C@@H](C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nccs1 ZINC000549545464 1085529314 /nfs/dbraw/zinc/52/93/14/1085529314.db2.gz VDRPMKKEGUVDHP-JTQLQIEISA-N 1 0 359.373 4.306 20 5 FIBDRO Cc1ccccc1CN1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000178646485 1085550535 /nfs/dbraw/zinc/55/05/35/1085550535.db2.gz OPMMWCLIOKUKBN-KRWDZBQOSA-N 1 0 353.466 4.218 20 5 FIBDRO Cc1ccccc1C1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000178649772 1085577102 /nfs/dbraw/zinc/57/71/02/1085577102.db2.gz ZAOWFQDBUKWYLH-QGZVFWFLSA-N 1 0 354.450 4.302 20 5 FIBDRO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000178658549 1085684268 /nfs/dbraw/zinc/68/42/68/1085684268.db2.gz MDOYKFVAZBFHOF-QOKNQOGYSA-N 1 0 359.495 4.390 20 5 FIBDRO COc1ccc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1[N+](=O)[O-] ZINC000111261479 1085733252 /nfs/dbraw/zinc/73/32/52/1085733252.db2.gz QQKUZOQMBXSLGT-UHFFFAOYSA-N 1 0 370.449 4.032 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cc2ccccc2o1 ZINC000472280054 1086207779 /nfs/dbraw/zinc/20/77/79/1086207779.db2.gz RHSZRPRYAZEGNJ-UHFFFAOYSA-N 1 0 367.405 4.110 20 5 FIBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C1(CC)CC ZINC001167818779 1086568688 /nfs/dbraw/zinc/56/86/88/1086568688.db2.gz JHBNJOFDMILDBS-ROUUACIJSA-N 1 0 350.459 4.019 20 5 FIBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ccnc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000432333489 1086621423 /nfs/dbraw/zinc/62/14/23/1086621423.db2.gz BELBZYZZWCUCRU-KRWDZBQOSA-N 1 0 368.481 4.091 20 5 FIBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000432357395 1086656296 /nfs/dbraw/zinc/65/62/96/1086656296.db2.gz LTJRDXPEWFEYNU-BDJLRTHQSA-N 1 0 350.802 4.023 20 5 FIBDRO CC(C)C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccn1 ZINC000583404274 1086657448 /nfs/dbraw/zinc/65/74/48/1086657448.db2.gz MPGVYQBUGDPKTO-FQEVSTJZSA-N 1 0 352.438 4.391 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C(C)(C)c1ccccc1 ZINC000585754310 1086687071 /nfs/dbraw/zinc/68/70/71/1086687071.db2.gz HEGGNTYBDDOHBM-UHFFFAOYSA-N 1 0 355.438 4.099 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000585765560 1086692936 /nfs/dbraw/zinc/69/29/36/1086692936.db2.gz RNNWBZBGSAJIKR-APWZRJJASA-N 1 0 364.449 4.015 20 5 FIBDRO COc1cccc(C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]2CCCO2)c1 ZINC000512065917 1086727113 /nfs/dbraw/zinc/72/71/13/1086727113.db2.gz BKJZDPZJPHEHIN-HXUWFJFHSA-N 1 0 370.449 4.093 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000583515703 1086760855 /nfs/dbraw/zinc/76/08/55/1086760855.db2.gz PSQXFPLLBBYCEZ-GDZNZVCISA-N 1 0 361.392 4.330 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000052795436 1087162325 /nfs/dbraw/zinc/16/23/25/1087162325.db2.gz MUMBWEGVIBGJGV-INIZCTEOSA-N 1 0 367.449 4.142 20 5 FIBDRO Cc1cc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000248587433 1087241177 /nfs/dbraw/zinc/24/11/77/1087241177.db2.gz WSWKRKZSMXPPMO-SJORKVTESA-N 1 0 374.485 4.022 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H](CC(F)(F)F)C3)co2)cc1 ZINC000278699777 1087242175 /nfs/dbraw/zinc/24/21/75/1087242175.db2.gz JMSCDYCNUJKKHT-LLVKDONJSA-N 1 0 355.316 4.024 20 5 FIBDRO COC[C@@H]1CC[N@@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000573214522 1087325240 /nfs/dbraw/zinc/32/52/40/1087325240.db2.gz XOZLJQLCYKRURO-HNNXBMFYSA-N 1 0 362.813 4.261 20 5 FIBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc2ccccc21 ZINC000409853114 1087610666 /nfs/dbraw/zinc/61/06/66/1087610666.db2.gz CCEUNBOIODSYIO-UHFFFAOYSA-N 1 0 363.417 4.209 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)o1 ZINC000611983744 1087674439 /nfs/dbraw/zinc/67/44/39/1087674439.db2.gz FOTAFVWVKODIJV-QGZVFWFLSA-N 1 0 363.417 4.314 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CC23CC3)cc1 ZINC000424185565 1087812110 /nfs/dbraw/zinc/81/21/10/1087812110.db2.gz PWQKHZHQNNGVLO-LJQANCHMSA-N 1 0 360.417 4.090 20 5 FIBDRO CC(C)(C)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001167699640 1087948379 /nfs/dbraw/zinc/94/83/79/1087948379.db2.gz JKTPEMWSODJSMO-LJQANCHMSA-N 1 0 355.438 4.300 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000504899678 1087969825 /nfs/dbraw/zinc/96/98/25/1087969825.db2.gz KCQLBHHEVMRBQP-LSDHHAIUSA-N 1 0 358.438 4.371 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCn2cc(C)nc21 ZINC000504919528 1087971387 /nfs/dbraw/zinc/97/13/87/1087971387.db2.gz KTQIXBIINZRIJC-HZPDHXFCSA-N 1 0 374.510 4.138 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000504911612 1087980153 /nfs/dbraw/zinc/98/01/53/1087980153.db2.gz IYCYYJDZLXVUIK-SJLPKXTDSA-N 1 0 369.465 4.313 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000504911571 1087980585 /nfs/dbraw/zinc/98/05/85/1087980585.db2.gz IKPBGFVBKPCBFP-CQSZACIVSA-N 1 0 351.406 4.393 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCn1cnc2ccccc21 ZINC000504911959 1087981526 /nfs/dbraw/zinc/98/15/26/1087981526.db2.gz OFTMOZIROIIFMX-HNNXBMFYSA-N 1 0 370.478 4.105 20 5 FIBDRO Cc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000452083506 1088141876 /nfs/dbraw/zinc/14/18/76/1088141876.db2.gz JZAPIKHCYQIKHB-STQMWFEESA-N 1 0 361.829 4.234 20 5 FIBDRO CC[NH+](CC)Cc1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000505336234 1088352387 /nfs/dbraw/zinc/35/23/87/1088352387.db2.gz ASBXRDHVSNRNEQ-UHFFFAOYSA-N 1 0 369.465 4.353 20 5 FIBDRO COC[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000513824951 1088453049 /nfs/dbraw/zinc/45/30/49/1088453049.db2.gz SWVKXLSRMQWSKD-SZMVWBNQSA-N 1 0 358.438 4.185 20 5 FIBDRO C[NH+](C)CC1CCC(NC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000178773210 1088679444 /nfs/dbraw/zinc/67/94/44/1088679444.db2.gz MDWXHXPFYWEYGQ-UHFFFAOYSA-N 1 0 361.489 4.238 20 5 FIBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000311441396 1088681845 /nfs/dbraw/zinc/68/18/45/1088681845.db2.gz GNQRLWVAUXPDIA-UHFFFAOYSA-N 1 0 373.884 4.345 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000514067743 1088685387 /nfs/dbraw/zinc/68/53/87/1088685387.db2.gz UBXXMVXTUQEVEC-QGZVFWFLSA-N 1 0 369.465 4.410 20 5 FIBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H](C)O1 ZINC000414512534 1088805948 /nfs/dbraw/zinc/80/59/48/1088805948.db2.gz IUBCZPKNIHHLIJ-AGIUHOORSA-N 1 0 364.829 4.411 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000181539288 1089046148 /nfs/dbraw/zinc/04/61/48/1089046148.db2.gz LGZPIOXUQBGFCK-HOCLYGCPSA-N 1 0 355.438 4.014 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(CN3CC=C(c4ccc(F)cc4)CC3)nc2c1 ZINC000434828494 1089056238 /nfs/dbraw/zinc/05/62/38/1089056238.db2.gz CPRWIWANLGLXSQ-UHFFFAOYSA-N 1 0 353.353 4.164 20 5 FIBDRO CCOc1ccc(C(=O)Nc2cccc(C[NH+](CC)CC)c2)cc1[N+](=O)[O-] ZINC000024926142 1089086056 /nfs/dbraw/zinc/08/60/56/1089086056.db2.gz ZVXWIULTNLQWET-UHFFFAOYSA-N 1 0 371.437 4.088 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000415308503 1089417573 /nfs/dbraw/zinc/41/75/73/1089417573.db2.gz ZXKFSKDHKPHDGW-QGZVFWFLSA-N 1 0 370.453 4.157 20 5 FIBDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC000511525355 1089435973 /nfs/dbraw/zinc/43/59/73/1089435973.db2.gz WDXIDABMTRZWBU-UHFFFAOYSA-N 1 0 368.412 4.189 20 5 FIBDRO CC(C)OCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236798040 1089776854 /nfs/dbraw/zinc/77/68/54/1089776854.db2.gz INFRMRQSCNIVGF-UHFFFAOYSA-N 1 0 352.818 4.413 20 5 FIBDRO Cc1c(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cccc1[N+](=O)[O-] ZINC000515222119 1089907694 /nfs/dbraw/zinc/90/76/94/1089907694.db2.gz ANIDCPOAHIDDJV-UHFFFAOYSA-N 1 0 374.485 4.214 20 5 FIBDRO COc1cccc(O[C@@H](C)C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000468631780 1089932548 /nfs/dbraw/zinc/93/25/48/1089932548.db2.gz UBVYGOWUECLNKI-KMPOOHAWSA-N 1 0 356.422 4.064 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)CCC2 ZINC000365733247 1089941085 /nfs/dbraw/zinc/94/10/85/1089941085.db2.gz HHFHWDNFNZKOAE-UIFIKXQLSA-N 1 0 352.434 4.340 20 5 FIBDRO CC[NH2+]Cc1ccccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000415952320 1090032802 /nfs/dbraw/zinc/03/28/02/1090032802.db2.gz JJLHEZJZWIIGSN-UHFFFAOYSA-N 1 0 370.453 4.147 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1csc(-c2ccco2)n1)C1CC1 ZINC000128397180 1090073707 /nfs/dbraw/zinc/07/37/07/1090073707.db2.gz BOSSMMVVSSRWLK-MRXNPFEDSA-N 1 0 369.446 4.422 20 5 FIBDRO CCCOc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1OC ZINC000584437529 1090197975 /nfs/dbraw/zinc/19/79/75/1090197975.db2.gz MGMXIFRGXHGLEH-UHFFFAOYSA-N 1 0 358.438 4.067 20 5 FIBDRO CCC(O)(CC)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000236857922 1090702306 /nfs/dbraw/zinc/70/23/06/1090702306.db2.gz UMBOLVSOTVSXCS-UHFFFAOYSA-N 1 0 362.401 4.167 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000566474269 1090861515 /nfs/dbraw/zinc/86/15/15/1090861515.db2.gz GFTHXYGCHWYBMQ-BEFAXECRSA-N 1 0 371.506 4.145 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000566474713 1090863043 /nfs/dbraw/zinc/86/30/43/1090863043.db2.gz IJBVHLFBGPDNTN-OAHLLOKOSA-N 1 0 352.312 4.271 20 5 FIBDRO CC(C)(C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000500100802 1091038162 /nfs/dbraw/zinc/03/81/62/1091038162.db2.gz ZXOBUIWIVCKTGT-UHFFFAOYSA-N 1 0 355.438 4.224 20 5 FIBDRO Cc1ccccc1C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000500100412 1091038690 /nfs/dbraw/zinc/03/86/90/1091038690.db2.gz STJKOQKYGWCARF-UHFFFAOYSA-N 1 0 367.449 4.111 20 5 FIBDRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000123544726 1091182514 /nfs/dbraw/zinc/18/25/14/1091182514.db2.gz UQIZKEJVKGJFAR-UONOGXRCSA-N 1 0 362.401 4.023 20 5 FIBDRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001167766313 1091600535 /nfs/dbraw/zinc/60/05/35/1091600535.db2.gz KHLSKZFDWZAHKU-OALUTQOASA-N 1 0 364.486 4.408 20 5 FIBDRO CC[N@@H+](Cc1ccc(C)cc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728899844 1091819516 /nfs/dbraw/zinc/81/95/16/1091819516.db2.gz TWSUEYQXXNBEIK-UHFFFAOYSA-N 1 0 350.422 4.246 20 5 FIBDRO CC[C@@H]1CCCC[N@@H+]1CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236916389 1092026352 /nfs/dbraw/zinc/02/63/52/1092026352.db2.gz UCZOBVXUPOTZBJ-QGZVFWFLSA-N 1 0 374.510 4.072 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000500533945 1092199877 /nfs/dbraw/zinc/19/98/77/1092199877.db2.gz NOEPATVVAPSGNX-BOYDRYHPSA-N 1 0 372.852 4.253 20 5 FIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000520950609 1092375767 /nfs/dbraw/zinc/37/57/67/1092375767.db2.gz IUUGVROSCVRCML-UHFFFAOYSA-N 1 0 367.449 4.062 20 5 FIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000521276164 1092616349 /nfs/dbraw/zinc/61/63/49/1092616349.db2.gz WNEYQNWHCYFENU-HNNXBMFYSA-N 1 0 358.360 4.028 20 5 FIBDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000521378705 1092667604 /nfs/dbraw/zinc/66/76/04/1092667604.db2.gz SGTRWZYRFWGFHD-GOSISDBHSA-N 1 0 364.829 4.291 20 5 FIBDRO CCC[C@H]([NH2+]Cc1ccncc1OCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000442863693 1092809990 /nfs/dbraw/zinc/80/99/90/1092809990.db2.gz ACVUEFNBXDLZMF-INIZCTEOSA-N 1 0 365.380 4.265 20 5 FIBDRO CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000236931544 1092811772 /nfs/dbraw/zinc/81/17/72/1092811772.db2.gz NABDOKDIZXKVBC-HNNXBMFYSA-N 1 0 359.495 4.145 20 5 FIBDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000521828431 1092931182 /nfs/dbraw/zinc/93/11/82/1092931182.db2.gz DFYQTMCDJIWASH-UHFFFAOYSA-N 1 0 363.255 4.468 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000521827297 1092931211 /nfs/dbraw/zinc/93/12/11/1092931211.db2.gz SRLZNAAWCHMGBU-KXBFYZLASA-N 1 0 370.449 4.461 20 5 FIBDRO CO[C@@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000443075203 1092934812 /nfs/dbraw/zinc/93/48/12/1092934812.db2.gz ZEEULPWEPKMUPR-QFBILLFUSA-N 1 0 369.465 4.362 20 5 FIBDRO C[N@H+](CCc1ccccc1O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000573672742 1092957792 /nfs/dbraw/zinc/95/77/92/1092957792.db2.gz PXKMVPBLDURYIV-UHFFFAOYSA-N 1 0 352.390 4.235 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4ccccc4)C3)n2)cc1 ZINC000433079029 1093206043 /nfs/dbraw/zinc/20/60/43/1093206043.db2.gz XQQQKWFMNSSQST-KRWDZBQOSA-N 1 0 364.405 4.024 20 5 FIBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000120474076 1093222585 /nfs/dbraw/zinc/22/25/85/1093222585.db2.gz DHXLLCCUJJWFSE-JTQLQIEISA-N 1 0 368.220 4.191 20 5 FIBDRO CC(C)n1ncc2c1C[C@@H]([NH2+][C@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CC2 ZINC000433105364 1093258200 /nfs/dbraw/zinc/25/82/00/1093258200.db2.gz ZSWGDLCFRGSHFL-KXBFYZLASA-N 1 0 368.481 4.242 20 5 FIBDRO COCCNc1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433114268 1093266437 /nfs/dbraw/zinc/26/64/37/1093266437.db2.gz FRISIRAGJCJODG-FQEVSTJZSA-N 1 0 369.465 4.165 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]CC3(SC)CCC3)o2)c([N+](=O)[O-])c1 ZINC000433173196 1093371863 /nfs/dbraw/zinc/37/18/63/1093371863.db2.gz HJWVONMUYMHART-UHFFFAOYSA-N 1 0 362.451 4.239 20 5 FIBDRO COCCOc1cccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433181501 1093382455 /nfs/dbraw/zinc/38/24/55/1093382455.db2.gz YDQHOQUSXVSSKC-FQEVSTJZSA-N 1 0 370.449 4.132 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000433192234 1093395497 /nfs/dbraw/zinc/39/54/97/1093395497.db2.gz KFKALZLFDGVFIS-LFDGNKEFSA-N 1 0 367.449 4.495 20 5 FIBDRO C[NH+](C)CCOc1cccc(N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433215424 1093435436 /nfs/dbraw/zinc/43/54/36/1093435436.db2.gz YHGCIPFBTREHLC-HXUWFJFHSA-N 1 0 369.465 4.370 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cnn4ccccc34)s2)cc1 ZINC000512863893 1093453336 /nfs/dbraw/zinc/45/33/36/1093453336.db2.gz HMSKQFRFSZOTBV-UHFFFAOYSA-N 1 0 364.430 4.261 20 5 FIBDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000512885724 1093502446 /nfs/dbraw/zinc/50/24/46/1093502446.db2.gz SWCHCTHGOMSONF-WMZOPIPTSA-N 1 0 369.465 4.125 20 5 FIBDRO COCc1cc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccc1F ZINC000433259855 1093503812 /nfs/dbraw/zinc/50/38/12/1093503812.db2.gz JWLLVMDCNQFXEQ-IBGZPJMESA-N 1 0 358.413 4.393 20 5 FIBDRO CC[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1c(C)nn(C)c1C ZINC000433307258 1093572828 /nfs/dbraw/zinc/57/28/28/1093572828.db2.gz UUYNKWIHIUWXBB-ZWKOTPCHSA-N 1 0 356.470 4.408 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2(C(F)(F)F)CCC2)c1 ZINC000513026782 1093674781 /nfs/dbraw/zinc/67/47/81/1093674781.db2.gz FTTNRQKARWJEGN-UHFFFAOYSA-N 1 0 354.275 4.018 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(C2CC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419344868 1093711824 /nfs/dbraw/zinc/71/18/24/1093711824.db2.gz SKRBNRLOIMGUSO-ZIAGYGMSSA-N 1 0 353.422 4.150 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513112010 1093851616 /nfs/dbraw/zinc/85/16/16/1093851616.db2.gz RAHCAJKGLSHDRC-RDTXWAMCSA-N 1 0 356.422 4.071 20 5 FIBDRO CCC[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000151045912 1093877669 /nfs/dbraw/zinc/87/76/69/1093877669.db2.gz ZFMDFKHFDKWRBV-IBGZPJMESA-N 1 0 354.454 4.221 20 5 FIBDRO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000151133669 1093916124 /nfs/dbraw/zinc/91/61/24/1093916124.db2.gz JLJILTPNABKQCR-OAHLLOKOSA-N 1 0 366.421 4.016 20 5 FIBDRO COc1ccc(OCC[NH2+][C@@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000467280774 1093951630 /nfs/dbraw/zinc/95/16/30/1093951630.db2.gz YMVJOQCSGZXAKD-ZDUSSCGKSA-N 1 0 356.378 4.079 20 5 FIBDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000513242606 1094033251 /nfs/dbraw/zinc/03/32/51/1094033251.db2.gz VBFNSVOJMDSKPQ-KBXCAEBGSA-N 1 0 364.405 4.228 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000182861799 1094183858 /nfs/dbraw/zinc/18/38/58/1094183858.db2.gz NHSYVKOLCKYKNI-INIZCTEOSA-N 1 0 373.497 4.125 20 5 FIBDRO O=[N+]([O-])c1ccc(NCCC[N@@H+]2CCc3ccccc3C2)c2ccncc21 ZINC000025497576 1094312003 /nfs/dbraw/zinc/31/20/03/1094312003.db2.gz OAAVEOWBPWKLGX-UHFFFAOYSA-N 1 0 362.433 4.003 20 5 FIBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[N@@H+]1CCc2sccc2C1 ZINC000025500275 1094326681 /nfs/dbraw/zinc/32/66/81/1094326681.db2.gz ODMIYKOQASMKFE-ZDUSSCGKSA-N 1 0 368.462 4.063 20 5 FIBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CCCCC3)CC2)c(C(F)(F)F)c1 ZINC000413182233 1094663174 /nfs/dbraw/zinc/66/31/74/1094663174.db2.gz KPYADWHJUGZAMC-UHFFFAOYSA-N 1 0 372.391 4.218 20 5 FIBDRO CC[C@@H](C)[NH2+][C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)c1ccco1 ZINC000413285494 1094863071 /nfs/dbraw/zinc/86/30/71/1094863071.db2.gz XBJOCXNUMPVNFO-ZWNOBZJWSA-N 1 0 372.347 4.143 20 5 FIBDRO CSc1ccccc1[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000502316618 1095338892 /nfs/dbraw/zinc/33/88/92/1095338892.db2.gz ZGJUTYSOTFMSJC-ZIAGYGMSSA-N 1 0 373.478 4.385 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(Br)cn2)cccc1[N+](=O)[O-] ZINC000281151327 1095496548 /nfs/dbraw/zinc/49/65/48/1095496548.db2.gz OLNCBXSFTHGAAY-NWDGAFQWSA-N 1 0 364.243 4.473 20 5 FIBDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000502513668 1095549503 /nfs/dbraw/zinc/54/95/03/1095549503.db2.gz SAWMQCNIVGEPNC-IBGZPJMESA-N 1 0 359.401 4.049 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CC2(COC)CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000502597305 1095622116 /nfs/dbraw/zinc/62/21/16/1095622116.db2.gz TZYQPGXSOQSHRM-IBGZPJMESA-N 1 0 358.438 4.246 20 5 FIBDRO C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000522799983 1095695585 /nfs/dbraw/zinc/69/55/85/1095695585.db2.gz HVYHDUUTKMHAAB-MRXNPFEDSA-N 1 0 368.481 4.171 20 5 FIBDRO COc1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cn1 ZINC000237247361 1095769217 /nfs/dbraw/zinc/76/92/17/1095769217.db2.gz GJVSFGNDHYRHCY-UHFFFAOYSA-N 1 0 373.796 4.202 20 5 FIBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000522849845 1095781775 /nfs/dbraw/zinc/78/17/75/1095781775.db2.gz ZTWPCHDYUDWWBM-CQSZACIVSA-N 1 0 368.865 4.024 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423450750 1096680408 /nfs/dbraw/zinc/68/04/08/1096680408.db2.gz XMDAWZSJVXRWAS-DYVFJYSZSA-N 1 0 355.438 4.000 20 5 FIBDRO CC[NH+](CC)[C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000504223657 1096719171 /nfs/dbraw/zinc/71/91/71/1096719171.db2.gz VVVCWOMITOUSPM-KRWDZBQOSA-N 1 0 352.394 4.076 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000532976521 1098647156 /nfs/dbraw/zinc/64/71/56/1098647156.db2.gz GAYLWZYJZRTUMR-GOSISDBHSA-N 1 0 371.437 4.442 20 5 FIBDRO CCn1c(=O)c2cc3ccccc3cc2nc1SCCC[NH+]1CCCC1 ZINC000436137573 1098764016 /nfs/dbraw/zinc/76/40/16/1098764016.db2.gz YTJCFVIMZQBCOY-UHFFFAOYSA-N 1 0 367.518 4.148 20 5 FIBDRO Cc1ccccc1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000533242223 1098899071 /nfs/dbraw/zinc/89/90/71/1098899071.db2.gz DXXVKLSEQHPICC-HXUWFJFHSA-N 1 0 367.449 4.377 20 5 FIBDRO O=C(C[NH2+][C@H](c1ccccc1)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000533386801 1099015255 /nfs/dbraw/zinc/01/52/55/1099015255.db2.gz XMRXEAQVBSKUPP-HXUWFJFHSA-N 1 0 353.422 4.054 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCC4(CCCCC4)C3)n2)cc1 ZINC000533440792 1099065758 /nfs/dbraw/zinc/06/57/58/1099065758.db2.gz OEGAQUYKJYBLQT-UHFFFAOYSA-N 1 0 356.426 4.191 20 5 FIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000533511772 1099118327 /nfs/dbraw/zinc/11/83/27/1099118327.db2.gz IGLFWSQGHOYVPZ-VBQJREDUSA-N 1 0 351.878 4.085 20 5 FIBDRO O=C(CC[NH2+][C@H](c1ccccc1)C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533513666 1099119670 /nfs/dbraw/zinc/11/96/70/1099119670.db2.gz NSDFWXWHNNCDBV-HXUWFJFHSA-N 1 0 353.422 4.054 20 5 FIBDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000533534485 1099135635 /nfs/dbraw/zinc/13/56/35/1099135635.db2.gz WZNNGDMYWBDEGN-OAHLLOKOSA-N 1 0 355.847 4.042 20 5 FIBDRO O=C(NCCC[NH+]1CCCCCC1)c1cc2ccccc2c2cccnc12 ZINC000516379212 1099420086 /nfs/dbraw/zinc/42/00/86/1099420086.db2.gz UBBNJEKEASTSQC-UHFFFAOYSA-N 1 0 361.489 4.384 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccncc1OC ZINC000437071910 1099590732 /nfs/dbraw/zinc/59/07/32/1099590732.db2.gz IZGUOVIVFRAJHZ-KGLIPLIRSA-N 1 0 361.467 4.220 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2Cc3cccc(O)c3C2)s1 ZINC000428576195 1099591711 /nfs/dbraw/zinc/59/17/11/1099591711.db2.gz WFPCESZUDQDAGO-AWEZNQCLSA-N 1 0 366.442 4.286 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000516926246 1099936365 /nfs/dbraw/zinc/93/63/65/1099936365.db2.gz HJNOEFSJHGLYNP-PXNSSMCTSA-N 1 0 365.477 4.443 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)s1 ZINC000536671511 1100154017 /nfs/dbraw/zinc/15/40/17/1100154017.db2.gz TZWCNAGQFAOVMJ-UHFFFAOYSA-N 1 0 368.462 4.426 20 5 FIBDRO CCOc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc(Cl)c1O ZINC000459554369 1100301539 /nfs/dbraw/zinc/30/15/39/1100301539.db2.gz DWXNBNMZVFPEKJ-UHFFFAOYSA-N 1 0 364.829 4.377 20 5 FIBDRO COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000536829543 1100327786 /nfs/dbraw/zinc/32/77/86/1100327786.db2.gz ZAVMTRGJLVSUQZ-GOEBONIOSA-N 1 0 372.465 4.450 20 5 FIBDRO COC(=O)CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000536858941 1100375021 /nfs/dbraw/zinc/37/50/21/1100375021.db2.gz PMXSJHWMVLCTCH-KXBFYZLASA-N 1 0 356.422 4.248 20 5 FIBDRO C[C@H]([NH2+]CCCOc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000536867368 1100384787 /nfs/dbraw/zinc/38/47/87/1100384787.db2.gz BWZDBXWQRZHDOC-HNNXBMFYSA-N 1 0 351.406 4.263 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000536869250 1100388813 /nfs/dbraw/zinc/38/88/13/1100388813.db2.gz JBYIGKXRHIJTOQ-LSDHHAIUSA-N 1 0 358.438 4.284 20 5 FIBDRO C[C@@H]([NH2+]CCc1nc2ccccc2n1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000536871702 1100390145 /nfs/dbraw/zinc/39/01/45/1100390145.db2.gz QXMLKNXNJZFLMJ-GFCCVEGCSA-N 1 0 360.364 4.233 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459653837 1100395494 /nfs/dbraw/zinc/39/54/94/1100395494.db2.gz DMSAQAWKKGDCQQ-CZUORRHYSA-N 1 0 372.387 4.337 20 5 FIBDRO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1 ZINC000517547768 1100489636 /nfs/dbraw/zinc/48/96/36/1100489636.db2.gz NSRQRGIGNOVZDC-LLVKDONJSA-N 1 0 354.328 4.229 20 5 FIBDRO C[C@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCO1 ZINC000517603379 1100537421 /nfs/dbraw/zinc/53/74/21/1100537421.db2.gz DYHJLVYBBFZTBG-QGZVFWFLSA-N 1 0 350.802 4.167 20 5 FIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCC[C@H](C)C1 ZINC000518264561 1101049235 /nfs/dbraw/zinc/04/92/35/1101049235.db2.gz GRKWSQDBESDYOK-HOTGVXAUSA-N 1 0 357.454 4.065 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000518268129 1101051603 /nfs/dbraw/zinc/05/16/03/1101051603.db2.gz FSEURXRYQYUSQU-LJQANCHMSA-N 1 0 359.857 4.175 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459673170 1101312698 /nfs/dbraw/zinc/31/26/98/1101312698.db2.gz IYPHICAPMVVODH-ROUUACIJSA-N 1 0 367.449 4.110 20 5 FIBDRO C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000455844087 1101457268 /nfs/dbraw/zinc/45/72/68/1101457268.db2.gz HEMFNTMPFNIEGH-DJJJIMSYSA-N 1 0 368.437 4.026 20 5 FIBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](Cc2ccccc2Cl)c2ccccc2)n1 ZINC000537108531 1101474805 /nfs/dbraw/zinc/47/48/05/1101474805.db2.gz YEPPHFLOLKBUMM-GOSISDBHSA-N 1 0 370.840 4.018 20 5 FIBDRO CCN1CCC[C@H]1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000518771277 1101533012 /nfs/dbraw/zinc/53/30/12/1101533012.db2.gz RQBDSKYZBLMPDW-KRWDZBQOSA-N 1 0 373.428 4.100 20 5 FIBDRO C[NH+](C)Cc1ccc(-c2noc(C(C)(C)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000426417835 1101535570 /nfs/dbraw/zinc/53/55/70/1101535570.db2.gz UCANZAHTQMUDQY-UHFFFAOYSA-N 1 0 366.421 4.032 20 5 FIBDRO Cc1ccccc1[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000537291235 1101610019 /nfs/dbraw/zinc/61/00/19/1101610019.db2.gz OBSNTELPUDBOPS-YWZLYKJASA-N 1 0 367.449 4.280 20 5 FIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000537451843 1101801710 /nfs/dbraw/zinc/80/17/10/1101801710.db2.gz ZQMIGDBKIVWFBQ-CYBMUJFWSA-N 1 0 373.840 4.244 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000026227584 1101945870 /nfs/dbraw/zinc/94/58/70/1101945870.db2.gz KBGKXRSNRPGSEV-CYBMUJFWSA-N 1 0 361.829 4.236 20 5 FIBDRO CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001142514332 1102112926 /nfs/dbraw/zinc/11/29/26/1102112926.db2.gz LLCUAPSHIKGMET-JKSUJKDBSA-N 1 0 370.453 4.067 20 5 FIBDRO C[C@H](C[NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccccc1[N+](=O)[O-] ZINC000897459952 1102551270 /nfs/dbraw/zinc/55/12/70/1102551270.db2.gz PPFJOVIDCTZZIH-SNVBAGLBSA-N 1 0 359.373 4.049 20 5 FIBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000537647006 1102640110 /nfs/dbraw/zinc/64/01/10/1102640110.db2.gz FWNZGJKNGCABNZ-QGZVFWFLSA-N 1 0 369.465 4.019 20 5 FIBDRO COCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000266493556 1102717990 /nfs/dbraw/zinc/71/79/90/1102717990.db2.gz TWBXKZGHJRDRRD-GJZGRUSLSA-N 1 0 374.437 4.040 20 5 FIBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000536609208 1102880144 /nfs/dbraw/zinc/88/01/44/1102880144.db2.gz ZBLIQSHTRODUPK-ALXJQNPVSA-N 1 0 369.465 4.408 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCc3ccc(O)cc32)cc(C(F)(F)F)c1 ZINC000551281923 1103040572 /nfs/dbraw/zinc/04/05/72/1103040572.db2.gz LYINXMGCAXUSLJ-QGZVFWFLSA-N 1 0 366.339 4.486 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2C)c([N+](=O)[O-])cc1OC ZINC000507143330 1103144139 /nfs/dbraw/zinc/14/41/39/1103144139.db2.gz LJFTYAHXOMCIPF-QGZVFWFLSA-N 1 0 356.422 4.258 20 5 FIBDRO Cc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000507166439 1103167138 /nfs/dbraw/zinc/16/71/38/1103167138.db2.gz WRHXDNYMBFVNAB-IRXDYDNUSA-N 1 0 367.449 4.028 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000538213832 1104037282 /nfs/dbraw/zinc/03/72/82/1104037282.db2.gz AKPVNTCEPBPHQO-UHFFFAOYSA-N 1 0 373.840 4.164 20 5 FIBDRO Cc1ccccc1[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000538258787 1104081857 /nfs/dbraw/zinc/08/18/57/1104081857.db2.gz IZYVJZQNKRQQBX-IBGZPJMESA-N 1 0 355.438 4.219 20 5 FIBDRO CC[C@@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000129463701 1104152793 /nfs/dbraw/zinc/15/27/93/1104152793.db2.gz PXAZMOJEOUPKSC-HXUWFJFHSA-N 1 0 350.422 4.081 20 5 FIBDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000441312463 1104269171 /nfs/dbraw/zinc/26/91/71/1104269171.db2.gz ZWMMYYNZVOOARB-QGZVFWFLSA-N 1 0 367.808 4.120 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000129495003 1104281630 /nfs/dbraw/zinc/28/16/30/1104281630.db2.gz KVWQTTVMLLTNAP-HXUWFJFHSA-N 1 0 350.422 4.412 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@H]3CC[C@H](O)C3)cc2[N+](=O)[O-])cc1 ZINC000473994680 1105000228 /nfs/dbraw/zinc/00/02/28/1105000228.db2.gz KHDAQUKUXPOIQV-RDJZCZTQSA-N 1 0 372.490 4.305 20 5 FIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc(F)c(F)c(F)c1 ZINC000574841158 1105105079 /nfs/dbraw/zinc/10/50/79/1105105079.db2.gz VEIMXRKSUXPGNV-SNVBAGLBSA-N 1 0 363.339 4.387 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CCC23CCCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000451462822 1107117217 /nfs/dbraw/zinc/11/72/17/1107117217.db2.gz WMTXJNWDPULQOP-HNNXBMFYSA-N 1 0 356.369 4.017 20 5 FIBDRO CC[C@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[NH+](CC)CC ZINC000530585017 1107161979 /nfs/dbraw/zinc/16/19/79/1107161979.db2.gz RKGGJPOKEXSPEB-LJQANCHMSA-N 1 0 371.437 4.446 20 5 FIBDRO C[C@H](O)C[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000248748143 1107276908 /nfs/dbraw/zinc/27/69/08/1107276908.db2.gz BLXBWHXLVBSDKF-XERREHJYSA-N 1 0 354.450 4.117 20 5 FIBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2c2cc(C)ccc2C)c1 ZINC001168134160 1107430868 /nfs/dbraw/zinc/43/08/68/1107430868.db2.gz JFQYYLXVCFXILN-HXUWFJFHSA-N 1 0 368.433 4.335 20 5 FIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000452078969 1107460529 /nfs/dbraw/zinc/46/05/29/1107460529.db2.gz MPQJEPUSCJAMJK-ZIAGYGMSSA-N 1 0 358.442 4.464 20 5 FIBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000475514622 1107637189 /nfs/dbraw/zinc/63/71/89/1107637189.db2.gz XVHUTYWOIUXEEE-RNZFLTOJSA-N 1 0 362.227 4.116 20 5 FIBDRO C[C@@H](N[C@@H](C)c1c(F)cccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000531204879 1107645987 /nfs/dbraw/zinc/64/59/87/1107645987.db2.gz XMBYBWRJXDOXSK-WDEREUQCSA-N 1 0 365.792 4.065 20 5 FIBDRO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531205220 1107648086 /nfs/dbraw/zinc/64/80/86/1107648086.db2.gz VZTFRSXHVXGBFN-ULQDDVLXSA-N 1 0 369.465 4.128 20 5 FIBDRO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)ccc1OC(C)C ZINC000783594184 1107659699 /nfs/dbraw/zinc/65/96/99/1107659699.db2.gz FJXGYSJICXCXSP-UHFFFAOYSA-N 1 0 364.829 4.334 20 5 FIBDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)CCO2 ZINC000186698171 1107956357 /nfs/dbraw/zinc/95/63/57/1107956357.db2.gz UNAWEOSBMHKQMN-RDTXWAMCSA-N 1 0 356.422 4.476 20 5 FIBDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)CCO2 ZINC000186698190 1107956762 /nfs/dbraw/zinc/95/67/62/1107956762.db2.gz UNAWEOSBMHKQMN-KDOFPFPSSA-N 1 0 356.422 4.476 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3(Cc4ccccc4)CCCC3)nc2c1 ZINC000444685188 1108062019 /nfs/dbraw/zinc/06/20/19/1108062019.db2.gz QSYQVSDDZIDWAI-UHFFFAOYSA-N 1 0 350.422 4.116 20 5 FIBDRO Cc1ccc([C@H](C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000520221788 1108071377 /nfs/dbraw/zinc/07/13/77/1108071377.db2.gz ZQNWEXQNBJICDX-NRFANRHFSA-N 1 0 353.466 4.138 20 5 FIBDRO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000453244394 1108317828 /nfs/dbraw/zinc/31/78/28/1108317828.db2.gz CZYUABSQVJNBBD-XJKSGUPXSA-N 1 0 372.421 4.401 20 5 FIBDRO CSc1ccccc1[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000440620187 1108323973 /nfs/dbraw/zinc/32/39/73/1108323973.db2.gz PLTLHFLRLBOWTH-AWEZNQCLSA-N 1 0 373.478 4.305 20 5 FIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H](O)C(F)F ZINC000453270701 1108345639 /nfs/dbraw/zinc/34/56/39/1108345639.db2.gz PIQCQJCDQFIGFH-KNHMANMVSA-N 1 0 370.421 4.379 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CCc2scnc2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453311985 1108400752 /nfs/dbraw/zinc/40/07/52/1108400752.db2.gz SNWQOAVKHUPTQX-IBGZPJMESA-N 1 0 371.462 4.437 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000453324465 1108416216 /nfs/dbraw/zinc/41/62/16/1108416216.db2.gz VZKDHJBYZNEUNO-YZVOILCLSA-N 1 0 350.459 4.095 20 5 FIBDRO CCc1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453342840 1108441596 /nfs/dbraw/zinc/44/15/96/1108441596.db2.gz HYQRNWADCIEMMC-NZZOTNDHSA-N 1 0 369.465 4.054 20 5 FIBDRO CC[C@@H]([NH2+]C[C@@H](C)N1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000531954017 1108442052 /nfs/dbraw/zinc/44/20/52/1108442052.db2.gz VEHAGASUMCIXIE-RDTXWAMCSA-N 1 0 359.495 4.144 20 5 FIBDRO CC1(C)C[C@@H](C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000453407740 1108507196 /nfs/dbraw/zinc/50/71/96/1108507196.db2.gz GNCSVHQQGRMRSR-JXFKEZNVSA-N 1 0 354.450 4.479 20 5 FIBDRO Cc1cc(C[C@@H](C)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[nH]n1 ZINC000532015740 1108550529 /nfs/dbraw/zinc/55/05/29/1108550529.db2.gz WBLRZCXDGYLNHQ-GFCCVEGCSA-N 1 0 356.451 4.076 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000152109330 1108711869 /nfs/dbraw/zinc/71/18/69/1108711869.db2.gz KCQPIIAUPWSZPQ-FQEVSTJZSA-N 1 0 350.422 4.081 20 5 FIBDRO CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000532215645 1108717437 /nfs/dbraw/zinc/71/74/37/1108717437.db2.gz IPOKVRLXXAYJOG-MRXNPFEDSA-N 1 0 369.465 4.268 20 5 FIBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cs1 ZINC000532243785 1108734584 /nfs/dbraw/zinc/73/45/84/1108734584.db2.gz GOVVADQDHADGBF-RTBURBONSA-N 1 0 371.506 4.143 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@@H](C)CCCO)cc2[N+](=O)[O-])cc1 ZINC000532294439 1108747151 /nfs/dbraw/zinc/74/71/51/1108747151.db2.gz HPQPAIYQRILBQI-HNNXBMFYSA-N 1 0 360.479 4.305 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCC4(CCCC4)C3)o2)c1 ZINC000445839750 1109000560 /nfs/dbraw/zinc/00/05/60/1109000560.db2.gz DWCFPNFAPDNEGZ-UHFFFAOYSA-N 1 0 355.438 4.449 20 5 FIBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000446003503 1109077540 /nfs/dbraw/zinc/07/75/40/1109077540.db2.gz JXTDIVOBIFUERO-JKSUJKDBSA-N 1 0 373.840 4.113 20 5 FIBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000446489333 1109241129 /nfs/dbraw/zinc/24/11/29/1109241129.db2.gz XQVKEECOCQLZEC-IBGZPJMESA-N 1 0 370.453 4.108 20 5 FIBDRO CC[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1cccc([N+](=O)[O-])c1 ZINC000152230253 1109344575 /nfs/dbraw/zinc/34/45/75/1109344575.db2.gz FIAUFBFEFOHESU-LBPRGKRZSA-N 1 0 359.373 4.354 20 5 FIBDRO COc1ccc2c(c1)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CCCS2 ZINC000446818914 1109344632 /nfs/dbraw/zinc/34/46/32/1109344632.db2.gz QJDMGUKWMSYPGO-SFHVURJKSA-N 1 0 358.463 4.363 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CC=C(c4ccc(F)cc4)CC3)nc2c1 ZINC000446826263 1109351471 /nfs/dbraw/zinc/35/14/71/1109351471.db2.gz IBQTXKOOXCAIEO-MRXNPFEDSA-N 1 0 366.396 4.336 20 5 FIBDRO CCO[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000446851175 1109358469 /nfs/dbraw/zinc/35/84/69/1109358469.db2.gz BAQZZNKKFUTVCL-KRWDZBQOSA-N 1 0 366.364 4.064 20 5 FIBDRO CCO[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000446851177 1109359080 /nfs/dbraw/zinc/35/90/80/1109359080.db2.gz BAQZZNKKFUTVCL-QGZVFWFLSA-N 1 0 366.364 4.064 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000152245326 1109377811 /nfs/dbraw/zinc/37/78/11/1109377811.db2.gz CZTYSRSRKGOOHQ-LJQANCHMSA-N 1 0 350.422 4.412 20 5 FIBDRO Cc1cccc([C@H](C)C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000525462294 1109393449 /nfs/dbraw/zinc/39/34/49/1109393449.db2.gz IHQUECVADJYANJ-CYBMUJFWSA-N 1 0 350.365 4.398 20 5 FIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000446932854 1109393974 /nfs/dbraw/zinc/39/39/74/1109393974.db2.gz XDAUUFVWGTYCFB-IBGZPJMESA-N 1 0 368.412 4.159 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)c1ccncc1 ZINC000525697584 1109481352 /nfs/dbraw/zinc/48/13/52/1109481352.db2.gz GONOGZURWNLKKW-SFHVURJKSA-N 1 0 367.405 4.499 20 5 FIBDRO CC[C@@H](O)CCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000525697299 1109481906 /nfs/dbraw/zinc/48/19/06/1109481906.db2.gz CJGOPGRDTLKWFO-MRXNPFEDSA-N 1 0 362.401 4.167 20 5 FIBDRO CC1(C)[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]2CCCO[C@H]21 ZINC000525709614 1109487988 /nfs/dbraw/zinc/48/79/88/1109487988.db2.gz UKOMACRUWAGVLA-BRWVUGGUSA-N 1 0 373.478 4.012 20 5 FIBDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000428481141 1109534095 /nfs/dbraw/zinc/53/40/95/1109534095.db2.gz DPQQVPMRNRVARE-IBGZPJMESA-N 1 0 360.479 4.308 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cccc3ccccc32)n1 ZINC000447542328 1109573123 /nfs/dbraw/zinc/57/31/23/1109573123.db2.gz OPBZKFIHVWOZLD-RTBURBONSA-N 1 0 350.422 4.218 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cccc3ccccc32)n1 ZINC000447542326 1109573233 /nfs/dbraw/zinc/57/32/33/1109573233.db2.gz OPBZKFIHVWOZLD-RBUKOAKNSA-N 1 0 350.422 4.218 20 5 FIBDRO CC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCCO2 ZINC000447546453 1109574969 /nfs/dbraw/zinc/57/49/69/1109574969.db2.gz WAGCQGSBLBPLAD-RTBURBONSA-N 1 0 368.433 4.484 20 5 FIBDRO COc1cc2c(cc1C[NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)O[C@@H](C)C2 ZINC000447561520 1109582449 /nfs/dbraw/zinc/58/24/49/1109582449.db2.gz IIXKUQSPIRSLAC-DJJJIMSYSA-N 1 0 368.433 4.094 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)n1 ZINC000447584054 1109586777 /nfs/dbraw/zinc/58/67/77/1109586777.db2.gz DJYDZVRDGDCQSS-ZQDZILKHSA-N 1 0 374.407 4.233 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2C[C@H](C(C)C)c3ccccc32)c([N+](=O)[O-])cc1O ZINC000447974072 1109684486 /nfs/dbraw/zinc/68/44/86/1109684486.db2.gz WGYPKCUPEMZTDT-IAGOWNOFSA-N 1 0 356.422 4.283 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2csc(N3CCC(C[NH+]4CCCC4)CC3)n2)cc1 ZINC000448941838 1109938759 /nfs/dbraw/zinc/93/87/59/1109938759.db2.gz GKUCJRHCYXHZMN-UHFFFAOYSA-N 1 0 372.494 4.031 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2csc(N3CCC[C@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000448963794 1109945125 /nfs/dbraw/zinc/94/51/25/1109945125.db2.gz XQRVVPXFJLDXJU-INIZCTEOSA-N 1 0 372.494 4.173 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000449195143 1109992452 /nfs/dbraw/zinc/99/24/52/1109992452.db2.gz YQIAMFRNBWVMIR-JKSUJKDBSA-N 1 0 350.422 4.062 20 5 FIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c(C)c1OC ZINC000449331136 1110028583 /nfs/dbraw/zinc/02/85/83/1110028583.db2.gz NCKZEHWWFMVRQY-HIFRSBDPSA-N 1 0 358.438 4.202 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000449340516 1110033017 /nfs/dbraw/zinc/03/30/17/1110033017.db2.gz WQEXDRADFQYRMQ-IIBYNOLFSA-N 1 0 366.461 4.210 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000449438935 1110079865 /nfs/dbraw/zinc/07/98/65/1110079865.db2.gz SNAIVZPPLURMNJ-LBPRGKRZSA-N 1 0 353.344 4.120 20 5 FIBDRO Cc1cccnc1CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449487152 1110090272 /nfs/dbraw/zinc/09/02/72/1110090272.db2.gz XGNIJSDPZHIRGN-XLIONFOSSA-N 1 0 353.466 4.232 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000449544070 1110101240 /nfs/dbraw/zinc/10/12/40/1110101240.db2.gz VGPGPZFRBBWREN-YLJYHZDGSA-N 1 0 355.438 4.123 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3C[C@@H](C4CC4)[C@@H]3C3CC3)cs2)c1 ZINC000449536464 1110103499 /nfs/dbraw/zinc/10/34/99/1110103499.db2.gz IOFDSMRBSCGGIP-ROUUACIJSA-N 1 0 355.463 4.339 20 5 FIBDRO COCC1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000449740420 1110160663 /nfs/dbraw/zinc/16/06/63/1110160663.db2.gz FZGXCHLKYMAUFS-UHFFFAOYSA-N 1 0 361.467 4.015 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](CCCO)C2)ccc1Oc1ccc(F)cc1 ZINC000449790868 1110172909 /nfs/dbraw/zinc/17/29/09/1110172909.db2.gz MOTSLOFUOLOPSG-OAHLLOKOSA-N 1 0 374.412 4.121 20 5 FIBDRO C[C@H](Nc1nccc2c1cccc2[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450433746 1110297020 /nfs/dbraw/zinc/29/70/20/1110297020.db2.gz LLHLLSGIKOVXPX-GJZGRUSLSA-N 1 0 354.454 4.208 20 5 FIBDRO C[C@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000538589707 1111212135 /nfs/dbraw/zinc/21/21/35/1111212135.db2.gz RJNFLXBAONKLJB-BBWFWOEESA-N 1 0 369.465 4.377 20 5 FIBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000538752184 1111282148 /nfs/dbraw/zinc/28/21/48/1111282148.db2.gz OMOXXDVATVQJSP-QGZVFWFLSA-N 1 0 369.465 4.019 20 5 FIBDRO CC[C@H]([NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539052334 1111401686 /nfs/dbraw/zinc/40/16/86/1111401686.db2.gz VUQKNEWHAUTPBI-DLBZAZTESA-N 1 0 368.355 4.388 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000539073762 1111419435 /nfs/dbraw/zinc/41/94/35/1111419435.db2.gz AGQMMJMFGRCUMA-OAHLLOKOSA-N 1 0 362.813 4.260 20 5 FIBDRO Cc1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461963311 1111442107 /nfs/dbraw/zinc/44/21/07/1111442107.db2.gz IDBNDTWRPPIXAY-CQSZACIVSA-N 1 0 371.403 4.377 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000477943212 1111615958 /nfs/dbraw/zinc/61/59/58/1111615958.db2.gz GDFMRHLLHODHOY-OZOXKJRCSA-N 1 0 354.450 4.283 20 5 FIBDRO Cc1cccc([C@@H](C)C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000552244434 1111636297 /nfs/dbraw/zinc/63/62/97/1111636297.db2.gz AFMFJVRTCFKNKZ-OXJNMPFZSA-N 1 0 364.449 4.119 20 5 FIBDRO Cn1cc(C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000552406905 1111697652 /nfs/dbraw/zinc/69/76/52/1111697652.db2.gz XCRVOCSAUXNJDT-MSOLQXFVSA-N 1 0 354.454 4.006 20 5 FIBDRO Cc1c(C[NH2+][C@H](C)CC(=O)Nc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000478496066 1111794164 /nfs/dbraw/zinc/79/41/64/1111794164.db2.gz WZRPRYDOBHDCSG-GFCCVEGCSA-N 1 0 361.829 4.064 20 5 FIBDRO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C[C@@H]1CCCCO1 ZINC000553079963 1111904021 /nfs/dbraw/zinc/90/40/21/1111904021.db2.gz MZHKMFUTBAQXMF-SFHVURJKSA-N 1 0 350.459 4.163 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](c2cc(F)ccc2F)C(C)C)cc1[N+](=O)[O-] ZINC000479062508 1111939388 /nfs/dbraw/zinc/93/93/88/1111939388.db2.gz DEENPOQXMFQLMR-GOSISDBHSA-N 1 0 350.365 4.369 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CC2(C(F)F)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000479455199 1112030046 /nfs/dbraw/zinc/03/00/46/1112030046.db2.gz RQJQUIHVLZSQLR-MRXNPFEDSA-N 1 0 350.365 4.475 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC000479490659 1112044152 /nfs/dbraw/zinc/04/41/52/1112044152.db2.gz QENBLZSLUNQFIB-XGXHKWSGSA-N 1 0 372.444 4.340 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000557523445 1112145091 /nfs/dbraw/zinc/14/50/91/1112145091.db2.gz WIJIGZKAWBBVET-NWDGAFQWSA-N 1 0 353.850 4.134 20 5 FIBDRO Cc1nc2ccccc2n1CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000480065137 1112256592 /nfs/dbraw/zinc/25/65/92/1112256592.db2.gz JJCDWNONTJBRLM-OAHLLOKOSA-N 1 0 352.438 4.302 20 5 FIBDRO COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000554849370 1112528734 /nfs/dbraw/zinc/52/87/34/1112528734.db2.gz YMCBYJICJIXWTL-HNNXBMFYSA-N 1 0 358.360 4.158 20 5 FIBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000555606941 1112944266 /nfs/dbraw/zinc/94/42/66/1112944266.db2.gz RKPWNTHLTBXNDH-NFBGWVBBSA-N 1 0 366.396 4.284 20 5 FIBDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000160152573 1113305680 /nfs/dbraw/zinc/30/56/80/1113305680.db2.gz QHHBALQSKQMARS-STQMWFEESA-N 1 0 366.508 4.088 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000249205481 1113399842 /nfs/dbraw/zinc/39/98/42/1113399842.db2.gz VQPVDGMWEMOKNW-BJJXKVORSA-N 1 0 360.376 4.037 20 5 FIBDRO COc1cccc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000483151677 1113455476 /nfs/dbraw/zinc/45/54/76/1113455476.db2.gz AQFOFXUGGBAPST-WMZOPIPTSA-N 1 0 369.465 4.231 20 5 FIBDRO COc1cccc(N2CCC[C@@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000483168443 1113460039 /nfs/dbraw/zinc/46/00/39/1113460039.db2.gz MJQAVTIBXSLTCX-DLBZAZTESA-N 1 0 369.465 4.231 20 5 FIBDRO CCCC[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000486931112 1113679252 /nfs/dbraw/zinc/67/92/52/1113679252.db2.gz FFHPWHHRGJZGJI-UHFFFAOYSA-N 1 0 371.428 4.145 20 5 FIBDRO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000488465577 1113937327 /nfs/dbraw/zinc/93/73/27/1113937327.db2.gz OQCXOGPXHMWQOL-MPTYRVRUSA-N 1 0 371.485 4.288 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000044089753 1113940634 /nfs/dbraw/zinc/94/06/34/1113940634.db2.gz QASUQMDZFLASOH-AWEZNQCLSA-N 1 0 367.405 4.281 20 5 FIBDRO Cc1ccccc1[C@H](C(C)C)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000488693559 1113976977 /nfs/dbraw/zinc/97/69/77/1113976977.db2.gz GKIZJDKMMSDLTJ-NRFANRHFSA-N 1 0 369.465 4.479 20 5 FIBDRO C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488729063 1113982455 /nfs/dbraw/zinc/98/24/55/1113982455.db2.gz CSQYXFXAKHUHMQ-HNNXBMFYSA-N 1 0 350.422 4.343 20 5 FIBDRO COc1cc(C[NH2+]CCC2=CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491054622 1114367396 /nfs/dbraw/zinc/36/73/96/1114367396.db2.gz QZVYURIKRBMFPX-UHFFFAOYSA-N 1 0 370.396 4.227 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)c(F)c1 ZINC000491094300 1114372505 /nfs/dbraw/zinc/37/25/05/1114372505.db2.gz XVUBQOMIAUHZKF-UHFFFAOYSA-N 1 0 358.413 4.163 20 5 FIBDRO Cc1cccnc1C(C)(C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000570890154 1114381881 /nfs/dbraw/zinc/38/18/81/1114381881.db2.gz IXOXWDYUKBPKGB-SFHVURJKSA-N 1 0 353.466 4.187 20 5 FIBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c(F)c1 ZINC000586766783 1114389307 /nfs/dbraw/zinc/38/93/07/1114389307.db2.gz CVWJHQMHPCUWIA-GFCCVEGCSA-N 1 0 373.359 4.394 20 5 FIBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000586789090 1114393584 /nfs/dbraw/zinc/39/35/84/1114393584.db2.gz MEFDIRPVSWMITR-CEWLAPEOSA-N 1 0 354.450 4.078 20 5 FIBDRO CC1CCN(c2ccc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])cn2)CC1 ZINC000571536561 1114480349 /nfs/dbraw/zinc/48/03/49/1114480349.db2.gz LUDIAMMCZJDGIQ-IBGZPJMESA-N 1 0 366.465 4.003 20 5 FIBDRO CCC[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000571780190 1114537015 /nfs/dbraw/zinc/53/70/15/1114537015.db2.gz POPOAOVBEGUKNG-HNNXBMFYSA-N 1 0 351.353 4.222 20 5 FIBDRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000056157026 1114616175 /nfs/dbraw/zinc/61/61/75/1114616175.db2.gz DTYSBUCJYRWLQL-CABCVRRESA-N 1 0 371.437 4.060 20 5 FIBDRO C[C@H](F)CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000590192624 1114905302 /nfs/dbraw/zinc/90/53/02/1114905302.db2.gz FYJUUHSMCUPKJW-HNNXBMFYSA-N 1 0 368.412 4.285 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000590195999 1114906153 /nfs/dbraw/zinc/90/61/53/1114906153.db2.gz VJHKZVMIZYVSLP-MRXNPFEDSA-N 1 0 372.440 4.485 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4ccccn4)C3)co2)cc1 ZINC000590600703 1114952330 /nfs/dbraw/zinc/95/23/30/1114952330.db2.gz KUCJINCHPSGRSC-MRXNPFEDSA-N 1 0 364.405 4.024 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(Cl)ccc2OC(F)F)cc1 ZINC000058093502 1115098271 /nfs/dbraw/zinc/09/82/71/1115098271.db2.gz GAYFOFBOQCDMPX-UHFFFAOYSA-N 1 0 356.756 4.182 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Br)cn1 ZINC000573386029 1115103862 /nfs/dbraw/zinc/10/38/62/1115103862.db2.gz QIDRAAJONXJIBL-BONVTDFDSA-N 1 0 362.227 4.090 20 5 FIBDRO Cc1ccc(F)cc1C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132685 1115205850 /nfs/dbraw/zinc/20/58/50/1115205850.db2.gz MTZCXSMEGSMCJO-MXVIHJGJSA-N 1 0 372.440 4.348 20 5 FIBDRO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000594497574 1115450355 /nfs/dbraw/zinc/45/03/55/1115450355.db2.gz HONSWQGKHWYIIA-UHFFFAOYSA-N 1 0 364.449 4.422 20 5 FIBDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])CCO2 ZINC000594501183 1115451801 /nfs/dbraw/zinc/45/18/01/1115451801.db2.gz SONMDJIHZHEKJR-QZTJIDSGSA-N 1 0 354.406 4.094 20 5 FIBDRO Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000594985921 1115505578 /nfs/dbraw/zinc/50/55/78/1115505578.db2.gz PXVURAMJFJPVNL-UHFFFAOYSA-N 1 0 368.462 4.224 20 5 FIBDRO CC1(C)C[C@H]([NH2+]Cc2cccnc2N2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000595071113 1115509838 /nfs/dbraw/zinc/50/98/38/1115509838.db2.gz PDVJNZDCRALZPL-IBGZPJMESA-N 1 0 366.465 4.102 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000595037332 1115510646 /nfs/dbraw/zinc/51/06/46/1115510646.db2.gz DZZOGEYHUBJFFY-PZROIBLQSA-N 1 0 362.451 4.018 20 5 FIBDRO Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000595100451 1115516035 /nfs/dbraw/zinc/51/60/35/1115516035.db2.gz WACBXYULUICDEX-IBGZPJMESA-N 1 0 354.454 4.153 20 5 FIBDRO C[C@@H]([NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000595103364 1115516497 /nfs/dbraw/zinc/51/64/97/1115516497.db2.gz LZYFPMKNULOGAR-IERDGZPVSA-N 1 0 370.449 4.141 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]C[C@]2(C)CC2(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595081194 1115517698 /nfs/dbraw/zinc/51/76/98/1115517698.db2.gz QKAVZRKXLDMZKK-IRXDYDNUSA-N 1 0 350.365 4.475 20 5 FIBDRO Cc1noc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000595451053 1115537403 /nfs/dbraw/zinc/53/74/03/1115537403.db2.gz QSJIMUTWALTKMH-JSGCOSHPSA-N 1 0 369.343 4.336 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000595528436 1115540755 /nfs/dbraw/zinc/54/07/55/1115540755.db2.gz YCGJLFAJFIJGLA-INIZCTEOSA-N 1 0 369.469 4.316 20 5 FIBDRO CC(C)[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000595686349 1115556925 /nfs/dbraw/zinc/55/69/25/1115556925.db2.gz XHHTUQGYRVVNNC-ACJLOTCBSA-N 1 0 359.401 4.048 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)C1CCC(F)CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595817715 1115562456 /nfs/dbraw/zinc/56/24/56/1115562456.db2.gz BQBJHWFMTYVKBA-SIUPQYRZSA-N 1 0 362.405 4.212 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)C1CCC(F)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595821131 1115563009 /nfs/dbraw/zinc/56/30/09/1115563009.db2.gz XBANZPIAGKUOKX-OKZRHMCRSA-N 1 0 371.840 4.082 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCCCO4)C3)co2)cc1 ZINC000595787450 1115563478 /nfs/dbraw/zinc/56/34/78/1115563478.db2.gz IXLWUKGFTZCFHL-VQIMIIECSA-N 1 0 371.437 4.031 20 5 FIBDRO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000595867572 1115566835 /nfs/dbraw/zinc/56/68/35/1115566835.db2.gz OVANWPOWALWPDI-NSHDSACASA-N 1 0 371.359 4.363 20 5 FIBDRO COc1cc2cc[nH+]c(NCc3cccc([N+](=O)[O-])c3C)c2cc1OC ZINC000596206697 1115580432 /nfs/dbraw/zinc/58/04/32/1115580432.db2.gz IBQNOGAVMTVKQH-UHFFFAOYSA-N 1 0 353.378 4.081 20 5 FIBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c2ncccc12 ZINC000601686688 1115659451 /nfs/dbraw/zinc/65/94/51/1115659451.db2.gz MFOLBYVTQUACCD-FQEVSTJZSA-N 1 0 362.433 4.392 20 5 FIBDRO COc1cc(C[NH2+]CCC(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061003102 1115747465 /nfs/dbraw/zinc/74/74/65/1115747465.db2.gz HVKIAQBMFJXIJT-UHFFFAOYSA-N 1 0 358.438 4.318 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CCn2ccnc2)ccc1Oc1ccccc1Cl ZINC000061014657 1115749676 /nfs/dbraw/zinc/74/96/76/1115749676.db2.gz RMRCTVAQKVDGCD-UHFFFAOYSA-N 1 0 372.812 4.027 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](OC)c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000599054592 1115786201 /nfs/dbraw/zinc/78/62/01/1115786201.db2.gz CHOMWDXTUUVHHY-VBKZILBWSA-N 1 0 374.437 4.040 20 5 FIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000599086434 1115787933 /nfs/dbraw/zinc/78/79/33/1115787933.db2.gz NAZGJAMVXVTQIA-LBPRGKRZSA-N 1 0 373.375 4.024 20 5 FIBDRO Cc1cc(CNc2ccc3cnccc3c2[N+](=O)[O-])cc(N2CCCC2)n1 ZINC000599084624 1115787957 /nfs/dbraw/zinc/78/79/57/1115787957.db2.gz CXAMJWRYJCUOFU-UHFFFAOYSA-N 1 0 363.421 4.059 20 5 FIBDRO COc1cc(C[N@H+](CCC(C)C)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000603553716 1115791354 /nfs/dbraw/zinc/79/13/54/1115791354.db2.gz OPMWLMGVXKSIGC-UHFFFAOYSA-N 1 0 358.385 4.215 20 5 FIBDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000593689960 1115796898 /nfs/dbraw/zinc/79/68/98/1115796898.db2.gz KENXHICCHRXVTE-MOPGFXCFSA-N 1 0 368.433 4.255 20 5 FIBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000603643165 1115800871 /nfs/dbraw/zinc/80/08/71/1115800871.db2.gz RUTGGRKUVFBUNN-LJQANCHMSA-N 1 0 370.453 4.108 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000593716303 1115802962 /nfs/dbraw/zinc/80/29/62/1115802962.db2.gz PLINWRSXNVFFKE-QFBILLFUSA-N 1 0 364.511 4.260 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000593716305 1115803092 /nfs/dbraw/zinc/80/30/92/1115803092.db2.gz PLINWRSXNVFFKE-VQIMIIECSA-N 1 0 364.511 4.260 20 5 FIBDRO CCOc1ccc([C@@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000603838729 1115818451 /nfs/dbraw/zinc/81/84/51/1115818451.db2.gz FFKYTYKGZRDUPX-SFHVURJKSA-N 1 0 356.422 4.209 20 5 FIBDRO COc1ccc(C[NH+]2CCC(Cc3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000603850780 1115821270 /nfs/dbraw/zinc/82/12/70/1115821270.db2.gz CORLGUXJLKTYTP-UHFFFAOYSA-N 1 0 358.413 4.197 20 5 FIBDRO CCC1CCC([N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)CC1 ZINC000603856385 1115821858 /nfs/dbraw/zinc/82/18/58/1115821858.db2.gz RWOQAFIDMGSNTF-UHFFFAOYSA-N 1 0 360.454 4.395 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccco2)cc1 ZINC000061554795 1115863942 /nfs/dbraw/zinc/86/39/42/1115863942.db2.gz GTIKQFWKSAXYHL-UHFFFAOYSA-N 1 0 374.400 4.330 20 5 FIBDRO C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000604483419 1115866412 /nfs/dbraw/zinc/86/64/12/1115866412.db2.gz VXXWFAAVTYLAGF-INIZCTEOSA-N 1 0 351.450 4.010 20 5 FIBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521218 1115866979 /nfs/dbraw/zinc/86/69/79/1115866979.db2.gz COUNAAVZKVLLTD-RXVVDRJESA-N 1 0 370.449 4.073 20 5 FIBDRO CC[C@H](c1ccccc1)[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000604493284 1115867608 /nfs/dbraw/zinc/86/76/08/1115867608.db2.gz DLNLSUQCWGUUOT-GOSISDBHSA-N 1 0 371.437 4.015 20 5 FIBDRO CC[C@@H](c1ccccc1)[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000604493285 1115867724 /nfs/dbraw/zinc/86/77/24/1115867724.db2.gz DLNLSUQCWGUUOT-SFHVURJKSA-N 1 0 371.437 4.015 20 5 FIBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1F ZINC000594020197 1115962245 /nfs/dbraw/zinc/96/22/45/1115962245.db2.gz ZYUMAPAXVZGCPJ-CZUORRHYSA-N 1 0 359.401 4.110 20 5 FIBDRO C[C@@H]([NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000173426579 1116065670 /nfs/dbraw/zinc/06/56/70/1116065670.db2.gz QLWXGTNEUHEVKO-HWPZZCPQSA-N 1 0 355.221 4.286 20 5 FIBDRO Cc1ccc(OCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000608835459 1116130993 /nfs/dbraw/zinc/13/09/93/1116130993.db2.gz JDHVCDZGNGRWQW-UHFFFAOYSA-N 1 0 352.390 4.332 20 5 FIBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCC[C@@H]1C ZINC000608836319 1116131350 /nfs/dbraw/zinc/13/13/50/1116131350.db2.gz HWCNGVQCFKCFAD-JKSUJKDBSA-N 1 0 357.454 4.207 20 5 FIBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)no1 ZINC000089600485 1116161203 /nfs/dbraw/zinc/16/12/03/1116161203.db2.gz LDFNFBFXURZTAO-KBPBESRZSA-N 1 0 352.394 4.099 20 5 FIBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])ccc21 ZINC000456313251 1116178315 /nfs/dbraw/zinc/17/83/15/1116178315.db2.gz LEBOFFWFOIPSJM-GOSISDBHSA-N 1 0 367.449 4.060 20 5 FIBDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4cccc([N+](=O)[O-])c4)C3)nc2c1 ZINC000534951696 1116255362 /nfs/dbraw/zinc/25/53/62/1116255362.db2.gz HPLBRGIJYSNIBI-MRXNPFEDSA-N 1 0 350.422 4.159 20 5 FIBDRO COc1cccc(O[C@@H](C)C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000462733409 1117741036 /nfs/dbraw/zinc/74/10/36/1117741036.db2.gz INQBACAWQXSDEZ-HNNXBMFYSA-N 1 0 358.438 4.284 20 5 FIBDRO Cc1nn(-c2ccccc2)cc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000462762735 1117753711 /nfs/dbraw/zinc/75/37/11/1117753711.db2.gz PNNHERVLSHPHKP-UHFFFAOYSA-N 1 0 364.449 4.201 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000462805713 1117788309 /nfs/dbraw/zinc/78/83/09/1117788309.db2.gz OHTGGFBZKGLEAH-IAGOWNOFSA-N 1 0 371.456 4.171 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000462823044 1117796653 /nfs/dbraw/zinc/79/66/53/1117796653.db2.gz YBEIXKTXWYQAQG-HOTGVXAUSA-N 1 0 357.429 4.219 20 5 FIBDRO CO[C@@](C)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 ZINC000462907968 1117853568 /nfs/dbraw/zinc/85/35/68/1117853568.db2.gz WXOAXQWZXFVSEL-SFHVURJKSA-N 1 0 364.829 4.413 20 5 FIBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccncc2)cc1 ZINC000540168199 1117911580 /nfs/dbraw/zinc/91/15/80/1117911580.db2.gz DKBCSTUNGNAUNA-MRXNPFEDSA-N 1 0 363.417 4.386 20 5 FIBDRO C[C@H]([NH2+]CCCOc1cccc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000540179230 1117923955 /nfs/dbraw/zinc/92/39/55/1117923955.db2.gz PLVMUHFCFGMQGO-HNNXBMFYSA-N 1 0 351.406 4.263 20 5 FIBDRO Cc1cnc(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000463052437 1117941798 /nfs/dbraw/zinc/94/17/98/1117941798.db2.gz HPMPQXVNBISHEP-HNNXBMFYSA-N 1 0 354.454 4.142 20 5 FIBDRO Cc1cnc(NCc2ccc(C[NH+]3CCCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000463051651 1117942140 /nfs/dbraw/zinc/94/21/40/1117942140.db2.gz CGNPRUDQNRIHCU-UHFFFAOYSA-N 1 0 354.454 4.286 20 5 FIBDRO CCC[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000540343078 1118002965 /nfs/dbraw/zinc/00/29/65/1118002965.db2.gz NOBJTKFQXPELHE-GOSISDBHSA-N 1 0 355.438 4.363 20 5 FIBDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000540607277 1118147495 /nfs/dbraw/zinc/14/74/95/1118147495.db2.gz MJISXAWQTQTEJY-SXGZJXTBSA-N 1 0 360.429 4.421 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H]3CCCCC34CCCC4)o2)cc1 ZINC000463437998 1118156930 /nfs/dbraw/zinc/15/69/30/1118156930.db2.gz HAXOIWWEXLYMIA-INIZCTEOSA-N 1 0 356.426 4.237 20 5 FIBDRO C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000090044642 1118219647 /nfs/dbraw/zinc/21/96/47/1118219647.db2.gz BXORPSCXFOHNBJ-ZDUSSCGKSA-N 1 0 354.435 4.007 20 5 FIBDRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000540988764 1118339367 /nfs/dbraw/zinc/33/93/67/1118339367.db2.gz OOIXCQVMSSGJOL-GFCCVEGCSA-N 1 0 361.829 4.100 20 5 FIBDRO C[C@@H]([NH2+]C1CCN(CCc2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000463085359 1118346022 /nfs/dbraw/zinc/34/60/22/1118346022.db2.gz PVVAIMOOCJTYIV-MRXNPFEDSA-N 1 0 371.456 4.092 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC001168437553 1118446349 /nfs/dbraw/zinc/44/63/49/1118446349.db2.gz LHJYLJSSVGRTEL-AWEZNQCLSA-N 1 0 373.384 4.412 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)cc1 ZINC000541543790 1118549371 /nfs/dbraw/zinc/54/93/71/1118549371.db2.gz NHOXTLBNMVNFAS-HXUWFJFHSA-N 1 0 351.381 4.051 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000541773207 1118644933 /nfs/dbraw/zinc/64/49/33/1118644933.db2.gz RYLFPSSGZGQSIR-GOSISDBHSA-N 1 0 354.406 4.012 20 5 FIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000464757330 1118682514 /nfs/dbraw/zinc/68/25/14/1118682514.db2.gz MENHWZHVBWCCRJ-MRXNPFEDSA-N 1 0 358.463 4.088 20 5 FIBDRO COc1cccc(CCC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000464783712 1118693374 /nfs/dbraw/zinc/69/33/74/1118693374.db2.gz OTSNDPGGMSLJIM-UHFFFAOYSA-N 1 0 370.449 4.079 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000609146292 1118823812 /nfs/dbraw/zinc/82/38/12/1118823812.db2.gz XSNWFUXSBSTOOZ-UHFFFAOYSA-N 1 0 364.405 4.024 20 5 FIBDRO C[C@@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO[C@@H]1C1CC1 ZINC000542315330 1118899458 /nfs/dbraw/zinc/89/94/58/1118899458.db2.gz RDCKKXRJKHUYIY-RTBURBONSA-N 1 0 358.463 4.371 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(N(CC)CC)nc2)cc1[N+](=O)[O-] ZINC000153082239 1118909657 /nfs/dbraw/zinc/90/96/57/1118909657.db2.gz BNEYYICACYSLFO-HNNXBMFYSA-N 1 0 372.469 4.086 20 5 FIBDRO COc1cc(C[NH+]2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491943939 1118995763 /nfs/dbraw/zinc/99/57/63/1118995763.db2.gz XVGYBWVNWJQRSX-VXGBXAGGSA-N 1 0 358.385 4.010 20 5 FIBDRO COc1cc(C[NH+]2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491943930 1118995844 /nfs/dbraw/zinc/99/58/44/1118995844.db2.gz XVGYBWVNWJQRSX-RYUDHWBXSA-N 1 0 358.385 4.010 20 5 FIBDRO COc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000492228850 1119047970 /nfs/dbraw/zinc/04/79/70/1119047970.db2.gz ZONWPUUIYISNCE-UHFFFAOYSA-N 1 0 358.438 4.416 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000031006291 1119211561 /nfs/dbraw/zinc/21/15/61/1119211561.db2.gz ILDHWLQJCIEPIN-UHFFFAOYSA-N 1 0 361.829 4.017 20 5 FIBDRO CCCOc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)cc1OC ZINC000493007619 1119241890 /nfs/dbraw/zinc/24/18/90/1119241890.db2.gz ICFLIKMULFGYDS-AWEZNQCLSA-N 1 0 374.437 4.252 20 5 FIBDRO COc1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)ccc1OC(C)C ZINC000493008315 1119242101 /nfs/dbraw/zinc/24/21/01/1119242101.db2.gz KPCYNVDXMDQHGP-CQSZACIVSA-N 1 0 374.437 4.250 20 5 FIBDRO COc1cc(C)c(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1OC ZINC000761506889 1119403063 /nfs/dbraw/zinc/40/30/63/1119403063.db2.gz OQWBXBKVKCVCRV-UHFFFAOYSA-N 1 0 364.829 4.206 20 5 FIBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000761512883 1119405703 /nfs/dbraw/zinc/40/57/03/1119405703.db2.gz YWUWQRXCGVMUAN-XYPHTWIQSA-N 1 0 352.862 4.274 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1Cl ZINC000761535850 1119414586 /nfs/dbraw/zinc/41/45/86/1119414586.db2.gz ZWVISJFEWRZLEN-LJQANCHMSA-N 1 0 360.841 4.021 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)c2ccsc2)s1 ZINC000152514532 1119432982 /nfs/dbraw/zinc/43/29/82/1119432982.db2.gz QMPCPFSQWAXYKI-MRXNPFEDSA-N 1 0 360.460 4.208 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@@H]2CCOC3(CCC3)C2)c2ccccc2)c1 ZINC000494012613 1119524812 /nfs/dbraw/zinc/52/48/12/1119524812.db2.gz QVVBUPUWADBNCL-QUCCMNQESA-N 1 0 352.434 4.376 20 5 FIBDRO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1cccc2[nH]ccc21 ZINC000494060302 1119532529 /nfs/dbraw/zinc/53/25/29/1119532529.db2.gz LWIBPGPHIDSAHL-UHFFFAOYSA-N 1 0 362.389 4.363 20 5 FIBDRO COc1ccccc1C[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494497174 1119880852 /nfs/dbraw/zinc/88/08/52/1119880852.db2.gz RMODQCOEUBYPFT-LBPRGKRZSA-N 1 0 368.355 4.343 20 5 FIBDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)N2CCCC2)o1 ZINC000542484422 1119881568 /nfs/dbraw/zinc/88/15/68/1119881568.db2.gz ZLLMBMRJIUJATH-QGZVFWFLSA-N 1 0 363.845 4.076 20 5 FIBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)c2C1 ZINC000494518562 1119886400 /nfs/dbraw/zinc/88/64/00/1119886400.db2.gz FGQNPXWUXZIDLE-UHFFFAOYSA-N 1 0 373.840 4.472 20 5 FIBDRO CC[NH+](CC)Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000190598882 1119942821 /nfs/dbraw/zinc/94/28/21/1119942821.db2.gz XLUIHHYQHLZYDZ-UHFFFAOYSA-N 1 0 373.478 4.167 20 5 FIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)c1 ZINC000495085427 1120461347 /nfs/dbraw/zinc/46/13/47/1120461347.db2.gz OIRNCSOTWIMHDK-OXJNMPFZSA-N 1 0 358.413 4.034 20 5 FIBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2c2cc(C)ccc2C)c2ncc([N+](=O)[O-])cc12 ZINC000761837453 1120528284 /nfs/dbraw/zinc/52/82/84/1120528284.db2.gz HZTSCBZBZBXQRV-LJQANCHMSA-N 1 0 365.437 4.059 20 5 FIBDRO C[C@H]([NH2+]CCNc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000495427761 1120803562 /nfs/dbraw/zinc/80/35/62/1120803562.db2.gz SNAWFESFRQFXSS-LBPRGKRZSA-N 1 0 364.243 4.120 20 5 FIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000495438017 1120823470 /nfs/dbraw/zinc/82/34/70/1120823470.db2.gz FVOHLYCADJDCJV-AWEZNQCLSA-N 1 0 370.840 4.327 20 5 FIBDRO O=[N+]([O-])c1c(F)cccc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762556263 1120929979 /nfs/dbraw/zinc/92/99/79/1120929979.db2.gz ACVBPCWRHWZVOE-UHFFFAOYSA-N 1 0 369.440 4.226 20 5 FIBDRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000237318443 1120975597 /nfs/dbraw/zinc/97/55/97/1120975597.db2.gz QASRFZZGUJFCAB-AWEZNQCLSA-N 1 0 364.392 4.350 20 5 FIBDRO C[C@H](C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N(C)C ZINC000609223484 1121010953 /nfs/dbraw/zinc/01/09/53/1121010953.db2.gz XNODTJXMRDSGEM-CYBMUJFWSA-N 1 0 363.845 4.080 20 5 FIBDRO CC1CC[NH+](C[C@H]2CCCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)CC1 ZINC000488057072 1121345789 /nfs/dbraw/zinc/34/57/89/1121345789.db2.gz MDRMJLVPBBVDGF-QGZVFWFLSA-N 1 0 368.481 4.091 20 5 FIBDRO CC(=O)c1cc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000552996718 1121517286 /nfs/dbraw/zinc/51/72/86/1121517286.db2.gz DORXEUKLZFXDOO-HNNXBMFYSA-N 1 0 373.478 4.183 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)cc1 ZINC001649112434 1121893062 /nfs/dbraw/zinc/89/30/62/1121893062.db2.gz POLAQUPUCDLVHW-UHFFFAOYSA-N 1 0 374.746 4.436 20 5 FIBDRO COc1cc(F)c([N+](=O)[O-])c(NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000301455034 1122027086 /nfs/dbraw/zinc/02/70/86/1122027086.db2.gz WDKLHQNUIYUMOJ-UHFFFAOYSA-N 1 0 373.428 4.127 20 5 FIBDRO CCCc1ccc([C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000027367826 1122027669 /nfs/dbraw/zinc/02/76/69/1122027669.db2.gz VWZCQRQAMSLXNO-FQEVSTJZSA-N 1 0 369.465 4.133 20 5 FIBDRO CCOc1c(OC)cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000126959648 1122030350 /nfs/dbraw/zinc/03/03/50/1122030350.db2.gz GWVISJPYALAEIE-CQSZACIVSA-N 1 0 374.437 4.170 20 5 FIBDRO CSc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000282277715 1122142499 /nfs/dbraw/zinc/14/24/99/1122142499.db2.gz QETKVVUAACBNBN-LBPRGKRZSA-N 1 0 360.435 4.034 20 5 FIBDRO C[C@@H](N[C@@H](C)c1ncc(Br)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000903288554 1122152343 /nfs/dbraw/zinc/15/23/43/1122152343.db2.gz YKDINGRPEXSCCR-ZJUUUORDSA-N 1 0 368.206 4.303 20 5 FIBDRO CC(C)(CO)[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000556078151 1122640570 /nfs/dbraw/zinc/64/05/70/1122640570.db2.gz BPECLYUMWWUPLJ-SFTDATJTSA-N 1 0 368.477 4.364 20 5 FIBDRO Cc1c(CNCc2c(F)cccc2OC(F)(F)F)cccc1[N+](=O)[O-] ZINC000556413286 1122877494 /nfs/dbraw/zinc/87/74/94/1122877494.db2.gz VTBMPEQQICICSK-UHFFFAOYSA-N 1 0 358.291 4.231 20 5 FIBDRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556873491 1123156138 /nfs/dbraw/zinc/15/61/38/1123156138.db2.gz YIZAKOAUQLHNEW-AYBZRNKSSA-N 1 0 356.470 4.222 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)c1 ZINC000556895011 1123172686 /nfs/dbraw/zinc/17/26/86/1123172686.db2.gz FQHKGYLNJOODQZ-NNUKFRKNSA-N 1 0 366.339 4.371 20 5 FIBDRO Cc1ccnc(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000609669704 1123789577 /nfs/dbraw/zinc/78/95/77/1123789577.db2.gz WHJZBKFMPDDSIA-HNNXBMFYSA-N 1 0 354.454 4.142 20 5 FIBDRO COc1ccc(CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC(C)C)cc1OC ZINC000609672636 1123789933 /nfs/dbraw/zinc/78/99/33/1123789933.db2.gz UQTMWWVNQCSCCN-UHFFFAOYSA-N 1 0 372.465 4.313 20 5 FIBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000609672557 1123790147 /nfs/dbraw/zinc/79/01/47/1123790147.db2.gz OKHXFZQVTLEYOP-UHFFFAOYSA-N 1 0 374.412 4.046 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@H](C)C(C)(C)O)cc2[N+](=O)[O-])cc1 ZINC000609707530 1123803105 /nfs/dbraw/zinc/80/31/05/1123803105.db2.gz ZWBMZKBWBJUZDR-CQSZACIVSA-N 1 0 360.479 4.303 20 5 FIBDRO C[NH+](C)CC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000609709037 1123804767 /nfs/dbraw/zinc/80/47/67/1123804767.db2.gz LWKKBJWHXVFPLO-LJQANCHMSA-N 1 0 359.470 4.311 20 5 FIBDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000609851400 1123858839 /nfs/dbraw/zinc/85/88/39/1123858839.db2.gz GFYQREZYTZRTRE-FQEVSTJZSA-N 1 0 357.454 4.003 20 5 FIBDRO Cc1ccc(C)c(OC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000064632415 1123875601 /nfs/dbraw/zinc/87/56/01/1123875601.db2.gz LLYGCONZQBFKMJ-UHFFFAOYSA-N 1 0 354.450 4.298 20 5 FIBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000609891837 1123880640 /nfs/dbraw/zinc/88/06/40/1123880640.db2.gz ZPIWECXYLNPZLR-CQSZACIVSA-N 1 0 354.863 4.200 20 5 FIBDRO COc1ccccc1[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000610004317 1123914851 /nfs/dbraw/zinc/91/48/51/1123914851.db2.gz WEDMIPIDHVPQEE-INIZCTEOSA-N 1 0 370.449 4.380 20 5 FIBDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237568633 1123980543 /nfs/dbraw/zinc/98/05/43/1123980543.db2.gz NQVCGLZXHQEIJP-LBPRGKRZSA-N 1 0 356.451 4.216 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+][C@H]2CCCOC2)cc1 ZINC000237773814 1124063592 /nfs/dbraw/zinc/06/35/92/1124063592.db2.gz XKFXQPSHYCELDE-HNNXBMFYSA-N 1 0 362.813 4.309 20 5 FIBDRO COc1ccc2c(c1)OCC[C@H]2[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000615723996 1124109004 /nfs/dbraw/zinc/10/90/04/1124109004.db2.gz HCYFRNSDUBATAZ-LMICACPXSA-N 1 0 354.406 4.120 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCOCC(F)(F)F)s2)cc1 ZINC000237886888 1124149071 /nfs/dbraw/zinc/14/90/71/1124149071.db2.gz ZCGJJIXTXXJMEF-UHFFFAOYSA-N 1 0 374.384 4.382 20 5 FIBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273515510 1124185151 /nfs/dbraw/zinc/18/51/51/1124185151.db2.gz PEBMNOMFBMILEL-HOTGVXAUSA-N 1 0 350.415 4.148 20 5 FIBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1Cl ZINC000765848985 1124193878 /nfs/dbraw/zinc/19/38/78/1124193878.db2.gz MYLIAONWNOHGHY-HWPZZCPQSA-N 1 0 355.221 4.286 20 5 FIBDRO CC[C@H](CCO)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000152669804 1124367985 /nfs/dbraw/zinc/36/79/85/1124367985.db2.gz LYXAGDOOBWAENJ-CQSZACIVSA-N 1 0 362.401 4.024 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CC[N@H+](CC4CCCC4)C3)o2)cc1 ZINC000462741909 1124462888 /nfs/dbraw/zinc/46/28/88/1124462888.db2.gz VXNGVVVZTCQTCK-GOSISDBHSA-N 1 0 369.465 4.209 20 5 FIBDRO CC(C)[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](C)c1ccccc1 ZINC000428840044 1124511383 /nfs/dbraw/zinc/51/13/83/1124511383.db2.gz LNIMUJOCPKQSJP-OAHLLOKOSA-N 1 0 356.422 4.433 20 5 FIBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000542929384 1124889629 /nfs/dbraw/zinc/88/96/29/1124889629.db2.gz XXMRHQDFCSIWCI-DJIMGWMZSA-N 1 0 352.862 4.274 20 5 FIBDRO COc1cccc(C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC(C)C)c1 ZINC000618276739 1125135933 /nfs/dbraw/zinc/13/59/33/1125135933.db2.gz OPOMAQRXSWEXGO-UHFFFAOYSA-N 1 0 368.437 4.138 20 5 FIBDRO CC[NH+](CC)Cc1ccc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)cc1 ZINC000618410944 1125169039 /nfs/dbraw/zinc/16/90/39/1125169039.db2.gz MEBBZMTYQKZCFC-UHFFFAOYSA-N 1 0 358.423 4.215 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)cnc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000301730345 1125173917 /nfs/dbraw/zinc/17/39/17/1125173917.db2.gz CZMYFTYFHGLSNT-ALOPSCKCSA-N 1 0 372.856 4.251 20 5 FIBDRO C[C@@H]1C[C@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301748820 1125189976 /nfs/dbraw/zinc/18/99/76/1125189976.db2.gz SOWMJELOEDTRRJ-RHSMWYFYSA-N 1 0 374.872 4.133 20 5 FIBDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618569862 1125208501 /nfs/dbraw/zinc/20/85/01/1125208501.db2.gz AYPSBTXFZSDQHT-RBUKOAKNSA-N 1 0 354.406 4.094 20 5 FIBDRO C[C@H](O)[C@](C)(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000618577762 1125209692 /nfs/dbraw/zinc/20/96/92/1125209692.db2.gz FCZBEBZMONPALP-USCONSEESA-N 1 0 368.477 4.192 20 5 FIBDRO COc1cc2c(cc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)O[C@H](C)C2 ZINC000132075790 1125252388 /nfs/dbraw/zinc/25/23/88/1125252388.db2.gz XLGGWHLDDVHLRK-ZIAGYGMSSA-N 1 0 356.422 4.086 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000301776034 1125263759 /nfs/dbraw/zinc/26/37/59/1125263759.db2.gz LHHOMUROKYFGNW-SWLSCSKDSA-N 1 0 369.387 4.067 20 5 FIBDRO COc1nc(C)cc(C)c1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618983921 1125405888 /nfs/dbraw/zinc/40/58/88/1125405888.db2.gz XAJXNUGZCOSMBS-GOSISDBHSA-N 1 0 355.438 4.127 20 5 FIBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618987552 1125412083 /nfs/dbraw/zinc/41/20/83/1125412083.db2.gz BZWKKNWMUXTAHJ-XMCHAPAWSA-N 1 0 354.450 4.071 20 5 FIBDRO CC(C)[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccnn1C ZINC000618988305 1125423325 /nfs/dbraw/zinc/42/33/25/1125423325.db2.gz NZYFXECNTRTEQU-FUHWJXTLSA-N 1 0 356.470 4.080 20 5 FIBDRO COc1cc(C[NH+](CC(C)C)CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000058754388 205278559 /nfs/dbraw/zinc/27/85/59/205278559.db2.gz APAZLPSQJMNTTF-UHFFFAOYSA-N 1 0 360.401 4.319 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000481548720 568050373 /nfs/dbraw/zinc/05/03/73/568050373.db2.gz ZOTSWTVCVJSCGP-SGTLLEGYSA-N 1 0 364.829 4.123 20 5 FIBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000563113134 568205692 /nfs/dbraw/zinc/20/56/92/568205692.db2.gz LUQNAFYFAZVMOK-QFIPXVFZSA-N 1 0 373.500 4.238 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[C@H](c3ccccc3F)C2)n1 ZINC000482075831 568254411 /nfs/dbraw/zinc/25/44/11/568254411.db2.gz KTTXRKVLWCUUJE-STEAMIEHSA-N 1 0 372.444 4.340 20 5 FIBDRO C[NH+](C)CC1CCN(c2ccc(Nc3sccc3[N+](=O)[O-])cc2)CC1 ZINC000302037400 568299570 /nfs/dbraw/zinc/29/95/70/568299570.db2.gz VFULWMYPDROUIP-UHFFFAOYSA-N 1 0 360.483 4.178 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCOC3)o2)c1 ZINC000517937065 568340307 /nfs/dbraw/zinc/34/03/07/568340307.db2.gz KZIVHBJKZWUOMY-APWZRJJASA-N 1 0 356.422 4.246 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000569629783 568411156 /nfs/dbraw/zinc/41/11/56/568411156.db2.gz IQQPPOSSOZMKEZ-HOJAQTOUSA-N 1 0 365.477 4.110 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000569629786 568411172 /nfs/dbraw/zinc/41/11/72/568411172.db2.gz IQQPPOSSOZMKEZ-RLLQIKCJSA-N 1 0 365.477 4.110 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000569748767 568429368 /nfs/dbraw/zinc/42/93/68/568429368.db2.gz AVIYJNSTRBEVEP-QPJJXVBHSA-N 1 0 370.424 4.129 20 5 FIBDRO CC(C)([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000569892925 568434071 /nfs/dbraw/zinc/43/40/71/568434071.db2.gz VCDQFOXHHIUEDE-UHFFFAOYSA-N 1 0 354.328 4.344 20 5 FIBDRO C[C@@H](O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCCCC1 ZINC000570228106 568463723 /nfs/dbraw/zinc/46/37/23/568463723.db2.gz JZZWKYKLLNTIGS-GFCCVEGCSA-N 1 0 360.376 4.129 20 5 FIBDRO O=[N+]([O-])c1ccc([C@H](NC2CC[NH+](C3CCCC3)CC2)C(F)(F)F)cc1 ZINC000570851443 568546408 /nfs/dbraw/zinc/54/64/08/568546408.db2.gz ILRJKRRDIRWELU-KRWDZBQOSA-N 1 0 371.403 4.195 20 5 FIBDRO CC(C)C[NH+]1CCN(c2ccc3ccc4ccc(Cl)nc4c3n2)CC1 ZINC001164654427 719333956 /nfs/dbraw/zinc/33/39/56/719333956.db2.gz PTMCHSJXMVFPRP-UHFFFAOYSA-N 1 0 354.885 4.214 20 5 FIBDRO C[NH+](C)CC1CCN(c2ccc3ccc4ccc(Cl)nc4c3n2)CC1 ZINC001165042457 721945965 /nfs/dbraw/zinc/94/59/65/721945965.db2.gz RXMBJLKWDDVZFU-UHFFFAOYSA-N 1 0 354.885 4.214 20 5 FIBDRO Cc1cc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)s1 ZINC000182979336 1125708884 /nfs/dbraw/zinc/70/88/84/1125708884.db2.gz OFGJSSGWRFDYGI-CYBMUJFWSA-N 1 0 361.467 4.261 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1CN[C@H](CC(F)(F)F)c1ccccc1 ZINC000430214056 1079987977 /nfs/dbraw/zinc/98/79/77/1079987977.db2.gz DTLJXZSXXDZBTO-OAHLLOKOSA-N 1 0 354.328 4.387 20 5 FIBDRO CCCOc1ccc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000430245323 1080089333 /nfs/dbraw/zinc/08/93/33/1080089333.db2.gz OTRNRQJZPJZEJD-UHFFFAOYSA-N 1 0 358.438 4.417 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000165364828 1080530889 /nfs/dbraw/zinc/53/08/89/1080530889.db2.gz DLYURFYCEDPVDB-INIZCTEOSA-N 1 0 371.456 4.358 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000165364694 1080531292 /nfs/dbraw/zinc/53/12/92/1080531292.db2.gz DLYURFYCEDPVDB-MRXNPFEDSA-N 1 0 371.456 4.358 20 5 FIBDRO CCOc1cc(N[C@H](C[NH+]2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000471250454 1080585652 /nfs/dbraw/zinc/58/56/52/1080585652.db2.gz KXTXXGUXXXEOGV-GOSISDBHSA-N 1 0 355.438 4.243 20 5 FIBDRO C[NH2+]Cc1cn(-c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)c2ccc(C)cc12 ZINC001167122528 1080618464 /nfs/dbraw/zinc/61/84/64/1080618464.db2.gz HDIWRLBDJKZBJS-UHFFFAOYSA-N 1 0 373.416 4.024 20 5 FIBDRO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC001167233157 1080881839 /nfs/dbraw/zinc/88/18/39/1080881839.db2.gz CTKFIKCVPPVWRB-MRXNPFEDSA-N 1 0 360.841 4.464 20 5 FIBDRO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000610270859 1080996649 /nfs/dbraw/zinc/99/66/49/1080996649.db2.gz LNFBMNUPGALCQT-UHFFFAOYSA-N 1 0 370.840 4.075 20 5 FIBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177529363 1081226712 /nfs/dbraw/zinc/22/67/12/1081226712.db2.gz LHXMTJKMHJIUJJ-KDOFPFPSSA-N 1 0 364.405 4.023 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC001648882581 1081343409 /nfs/dbraw/zinc/34/34/09/1081343409.db2.gz WNWDADCYLMMOGP-UHFFFAOYSA-N 1 0 353.334 4.053 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)cc1[N+](=O)[O-] ZINC000560901089 1081589469 /nfs/dbraw/zinc/58/94/69/1081589469.db2.gz UKEUIPNLPQWLFX-LBPRGKRZSA-N 1 0 366.364 4.364 20 5 FIBDRO C[NH+](C)Cc1ccc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc1F ZINC000536503039 1081869935 /nfs/dbraw/zinc/86/99/35/1081869935.db2.gz YBAMWKLDUSHOKN-UHFFFAOYSA-N 1 0 369.343 4.009 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000050273678 1081986934 /nfs/dbraw/zinc/98/69/34/1081986934.db2.gz QYUMRCVUWOXKMD-LJQANCHMSA-N 1 0 373.840 4.236 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2c3ccccc3C[C@H]2O)s1 ZINC000119191759 1082007905 /nfs/dbraw/zinc/00/79/05/1082007905.db2.gz XCULHFGZAOGFNX-QUCCMNQESA-N 1 0 366.442 4.071 20 5 FIBDRO C[C@](CO)([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCCCC1 ZINC000580584729 1082030303 /nfs/dbraw/zinc/03/03/03/1082030303.db2.gz BSTSCHZHROGKGT-MRXNPFEDSA-N 1 0 360.376 4.035 20 5 FIBDRO CC(=O)c1cc(N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000561155158 1082079031 /nfs/dbraw/zinc/07/90/31/1082079031.db2.gz XWEHMOVJMLZWNT-RDTXWAMCSA-N 1 0 353.422 4.045 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-] ZINC000177851209 1082204437 /nfs/dbraw/zinc/20/44/37/1082204437.db2.gz NVNJNHSCJPNTEZ-CYBMUJFWSA-N 1 0 361.829 4.154 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCCN(C(=O)CC2CCCC2)CC1 ZINC000581625831 1082720407 /nfs/dbraw/zinc/72/04/07/1082720407.db2.gz AKAQUFKZDDTHCF-QGZVFWFLSA-N 1 0 373.497 4.079 20 5 FIBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccco1 ZINC000477188406 1082744750 /nfs/dbraw/zinc/74/47/50/1082744750.db2.gz NEHQFZSOPXTWBN-HIFRSBDPSA-N 1 0 374.441 4.056 20 5 FIBDRO COc1ccc(C[N@H+](C)CC2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510449437 1082790240 /nfs/dbraw/zinc/79/02/40/1082790240.db2.gz IZHHGDUPZIJSPZ-UHFFFAOYSA-N 1 0 356.422 4.024 20 5 FIBDRO CC[C@@H]([NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000157450793 1082846503 /nfs/dbraw/zinc/84/65/03/1082846503.db2.gz XYKRUABHUMYOAR-CXAGYDPISA-N 1 0 374.437 4.423 20 5 FIBDRO C[C@@H]([NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000610538858 1082909167 /nfs/dbraw/zinc/90/91/67/1082909167.db2.gz ZATYOLOWTZFHIE-BEFAXECRSA-N 1 0 374.444 4.260 20 5 FIBDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000161035107 1082913686 /nfs/dbraw/zinc/91/36/86/1082913686.db2.gz SBTWILAJDNIOQM-VLIAUNLRSA-N 1 0 356.422 4.414 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000471780941 1082981759 /nfs/dbraw/zinc/98/17/59/1082981759.db2.gz OGFZRKMHHSAFTH-ZDUSSCGKSA-N 1 0 350.365 4.398 20 5 FIBDRO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000471827000 1083072461 /nfs/dbraw/zinc/07/24/61/1083072461.db2.gz XPDYUVWCPOTHGC-FUHWJXTLSA-N 1 0 355.438 4.020 20 5 FIBDRO CC(C)[NH+](CCSCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000161084854 1083099746 /nfs/dbraw/zinc/09/97/46/1083099746.db2.gz IKOINYHTOPXTFC-UHFFFAOYSA-N 1 0 373.906 4.039 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000430749128 1083147198 /nfs/dbraw/zinc/14/71/98/1083147198.db2.gz TZFQNBQZCGRGMN-SNVBAGLBSA-N 1 0 356.319 4.262 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC([C@H]4CCCO4)CC3)o2)cc1 ZINC000188266557 1083429474 /nfs/dbraw/zinc/42/94/74/1083429474.db2.gz ACHLKURNYDINIG-LJQANCHMSA-N 1 0 356.422 4.246 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-] ZINC000179409734 1083453359 /nfs/dbraw/zinc/45/33/59/1083453359.db2.gz YCWSUBIZCIOWNF-HNNXBMFYSA-N 1 0 366.421 4.030 20 5 FIBDRO CCOc1ccccc1[C@@H](CC)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179751609 1083615326 /nfs/dbraw/zinc/61/53/26/1083615326.db2.gz QQPBRAIHLNDBCF-GDBMZVCRSA-N 1 0 371.437 4.061 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1c(C)nn(CC)c1C ZINC000535777081 1083651704 /nfs/dbraw/zinc/65/17/04/1083651704.db2.gz MROBINIFBBIUNL-HNNXBMFYSA-N 1 0 362.499 4.089 20 5 FIBDRO O=[N+]([O-])c1sccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000610808051 1083718244 /nfs/dbraw/zinc/71/82/44/1083718244.db2.gz YBNIISUKXWAFJG-DLBZAZTESA-N 1 0 357.479 4.147 20 5 FIBDRO COc1ccc2[nH]cc(CC[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)c2c1 ZINC000610817707 1083747601 /nfs/dbraw/zinc/74/76/01/1083747601.db2.gz NFAOTGDCIHJCLF-AWEZNQCLSA-N 1 0 353.422 4.286 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000411470045 1083781151 /nfs/dbraw/zinc/78/11/51/1083781151.db2.gz BJWUUBSPUKSVIZ-CYBMUJFWSA-N 1 0 361.829 4.236 20 5 FIBDRO CN(CCc1cccc([N+](=O)[O-])c1)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000548934559 1083847315 /nfs/dbraw/zinc/84/73/15/1083847315.db2.gz JLZQSATXDFOHFK-UHFFFAOYSA-N 1 0 373.359 4.203 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@]4(CCSC4)C3)o2)c1 ZINC000451986499 1083907422 /nfs/dbraw/zinc/90/74/22/1083907422.db2.gz XSEYPUCTZTXCDF-IBGZPJMESA-N 1 0 373.478 4.011 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000411877552 1083916940 /nfs/dbraw/zinc/91/69/40/1083916940.db2.gz DELLUAKMEQHAOT-BLLLJJGKSA-N 1 0 361.829 4.316 20 5 FIBDRO C[C@H](CO)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000538464036 1084103341 /nfs/dbraw/zinc/10/33/41/1084103341.db2.gz NQOGWWKTCUQJBG-LBPRGKRZSA-N 1 0 352.818 4.006 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000539058887 1084299531 /nfs/dbraw/zinc/29/95/31/1084299531.db2.gz MYZNMZGGAXXAOC-GFCCVEGCSA-N 1 0 369.343 4.047 20 5 FIBDRO CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000579978626 1084303921 /nfs/dbraw/zinc/30/39/21/1084303921.db2.gz XWDKWCGWZXDNLS-KVULBXGLSA-N 1 0 360.454 4.072 20 5 FIBDRO C[C@@H]([NH2+]CCc1nc(-c2ccncc2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000539075087 1084309970 /nfs/dbraw/zinc/30/99/70/1084309970.db2.gz ULDGEOSWZLGJSX-CYBMUJFWSA-N 1 0 354.435 4.007 20 5 FIBDRO CCCC(O)(CCC)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000119715856 1084426308 /nfs/dbraw/zinc/42/63/08/1084426308.db2.gz GNEXYPWVZKANCA-UHFFFAOYSA-N 1 0 363.483 4.139 20 5 FIBDRO COc1cc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000539257423 1084442622 /nfs/dbraw/zinc/44/26/22/1084442622.db2.gz UFNUGCUBMOIUHC-HNNXBMFYSA-N 1 0 358.438 4.284 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](F)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000581432666 1084545551 /nfs/dbraw/zinc/54/55/51/1084545551.db2.gz GRLVWBPHWXFHLW-DLBZAZTESA-N 1 0 374.412 4.163 20 5 FIBDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000180210179 1084899254 /nfs/dbraw/zinc/89/92/54/1084899254.db2.gz RRYDRSMQTIVVBV-GOSISDBHSA-N 1 0 366.421 4.098 20 5 FIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccccc1OCC(F)(F)F ZINC000511104127 1084916955 /nfs/dbraw/zinc/91/69/55/1084916955.db2.gz GOXUVLYGLQFUTA-UHFFFAOYSA-N 1 0 368.355 4.210 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000562046060 1085013870 /nfs/dbraw/zinc/01/38/70/1085013870.db2.gz RSPDXGDIAFUPSX-KSSFIOAISA-N 1 0 362.857 4.283 20 5 FIBDRO C[C@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000479521194 1085196923 /nfs/dbraw/zinc/19/69/23/1085196923.db2.gz ASIKJPJJOYRWFU-ZDUSSCGKSA-N 1 0 368.355 4.429 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC[C@H]2CCOC2)c1 ZINC000124943008 1085220283 /nfs/dbraw/zinc/22/02/83/1085220283.db2.gz DBVZPGSFHCQPHX-IRXDYDNUSA-N 1 0 370.449 4.169 20 5 FIBDRO Cc1c(CN(C)Cc2cc(Br)ccc2F)cccc1[N+](=O)[O-] ZINC000108165171 1085469316 /nfs/dbraw/zinc/46/93/16/1085469316.db2.gz AMZUWJIZPKIYIW-UHFFFAOYSA-N 1 0 367.218 4.437 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1ccccc1F)C1CC1 ZINC000109093054 1085584117 /nfs/dbraw/zinc/58/41/17/1085584117.db2.gz XLHGWNHCYYCWMK-UHFFFAOYSA-N 1 0 371.412 4.036 20 5 FIBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000111177062 1085713049 /nfs/dbraw/zinc/71/30/49/1085713049.db2.gz ZJGKKKLRDZPFAJ-HNNXBMFYSA-N 1 0 354.454 4.142 20 5 FIBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000093839190 1086206708 /nfs/dbraw/zinc/20/67/08/1086206708.db2.gz ADNXKVWCELKTOR-MRXNPFEDSA-N 1 0 374.412 4.385 20 5 FIBDRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000583117936 1086219904 /nfs/dbraw/zinc/21/99/04/1086219904.db2.gz VSAHWUNXWXHQJJ-HNNXBMFYSA-N 1 0 355.438 4.179 20 5 FIBDRO COc1cc(C[N@@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000511978604 1086520111 /nfs/dbraw/zinc/52/01/11/1086520111.db2.gz NVUWDKQFCHEXGO-OAHLLOKOSA-N 1 0 356.422 4.024 20 5 FIBDRO COc1cc(C[N@@H+]2CC[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000511979647 1086528023 /nfs/dbraw/zinc/52/80/23/1086528023.db2.gz XVYIKAYKOANWEX-HNNXBMFYSA-N 1 0 356.422 4.024 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000105482403 1086557307 /nfs/dbraw/zinc/55/73/07/1086557307.db2.gz UXWJWYSZSLYTGU-HWKANZROSA-N 1 0 367.380 4.234 20 5 FIBDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000136827830 1086622246 /nfs/dbraw/zinc/62/22/46/1086622246.db2.gz RBZMNQPCIMVYNW-OLZOCXBDSA-N 1 0 364.829 4.101 20 5 FIBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3[C@H]3CCCO3)o2)c([N+](=O)[O-])c1 ZINC000585767816 1086694495 /nfs/dbraw/zinc/69/44/95/1086694495.db2.gz DZPKAGTWVINIFZ-FXAWDEMLSA-N 1 0 372.421 4.007 20 5 FIBDRO C[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000512154512 1086848422 /nfs/dbraw/zinc/84/84/22/1086848422.db2.gz YOPSQRSUKHZXML-MGPUTAFESA-N 1 0 368.433 4.435 20 5 FIBDRO COc1ccc([C@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c(C)c1OC ZINC000583715887 1086931143 /nfs/dbraw/zinc/93/11/43/1086931143.db2.gz CNKLVJNWCQBVFC-HEWZJLJBSA-N 1 0 356.422 4.284 20 5 FIBDRO Cc1ccc(C[N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)s1 ZINC000693857668 1087113868 /nfs/dbraw/zinc/11/38/68/1087113868.db2.gz SKEPRHWDDFACPW-UHFFFAOYSA-N 1 0 355.257 4.359 20 5 FIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCCc1ccccc1 ZINC000052802657 1087167413 /nfs/dbraw/zinc/16/74/13/1087167413.db2.gz FSJCGYFIQXIMHF-OAHLLOKOSA-N 1 0 366.421 4.270 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000052803851 1087167466 /nfs/dbraw/zinc/16/74/66/1087167466.db2.gz SKGSGPISJUQCPA-KRWDZBQOSA-N 1 0 359.451 4.130 20 5 FIBDRO Cc1noc(C)c1CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180500757 1087942101 /nfs/dbraw/zinc/94/21/01/1087942101.db2.gz TVKRLSDJPUKXJJ-FQEVSTJZSA-N 1 0 351.406 4.121 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCOc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000504899373 1087956015 /nfs/dbraw/zinc/95/60/15/1087956015.db2.gz FTBWTQCSQHORAN-LBPRGKRZSA-N 1 0 366.364 4.001 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2c1cccc2O ZINC000504899407 1087956066 /nfs/dbraw/zinc/95/60/66/1087956066.db2.gz GEKTXKIGZXEYSY-CJNGLKHVSA-N 1 0 358.463 4.448 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(CCO)CCCCC1 ZINC000504894198 1087967537 /nfs/dbraw/zinc/96/75/37/1087967537.db2.gz KFADEGJIBOIJNZ-INIZCTEOSA-N 1 0 366.527 4.388 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](c2ccsc2)N(C)C)cc1[N+](=O)[O-] ZINC000504896696 1087968959 /nfs/dbraw/zinc/96/89/59/1087968959.db2.gz ZKBNGZPINABIHQ-CXAGYDPISA-N 1 0 363.483 4.009 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCOc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000504899372 1087971577 /nfs/dbraw/zinc/97/15/77/1087971577.db2.gz FTBWTQCSQHORAN-GFCCVEGCSA-N 1 0 366.364 4.001 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)Oc2ccccc2OC)cc1[N+](=O)[O-] ZINC000504905426 1087976326 /nfs/dbraw/zinc/97/63/26/1087976326.db2.gz IKVSPSCNMLVXAS-CABCVRRESA-N 1 0 374.437 4.120 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000504911613 1087979856 /nfs/dbraw/zinc/97/98/56/1087979856.db2.gz IYCYYJDZLXVUIK-WMZOPIPTSA-N 1 0 369.465 4.313 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](COC)c1ccc(C)o1 ZINC000504927558 1087994910 /nfs/dbraw/zinc/99/49/10/1087994910.db2.gz QPPQGQWHIWGJOG-LSDHHAIUSA-N 1 0 364.467 4.344 20 5 FIBDRO COC(=O)CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000180666912 1088010877 /nfs/dbraw/zinc/01/08/77/1088010877.db2.gz WRTGRGPWEHEAHS-YJBOKZPZSA-N 1 0 356.422 4.248 20 5 FIBDRO COC(=O)CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000180667803 1088011294 /nfs/dbraw/zinc/01/12/94/1088011294.db2.gz YWXDTONZXYHJNL-MAUKXSAKSA-N 1 0 356.422 4.248 20 5 FIBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000181308673 1088301426 /nfs/dbraw/zinc/30/14/26/1088301426.db2.gz BNOYTCKJXHAEFF-QWRGUYRKSA-N 1 0 370.375 4.382 20 5 FIBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000177533115 1088358108 /nfs/dbraw/zinc/35/81/08/1088358108.db2.gz IBJIODAFLRSHSQ-RDTXWAMCSA-N 1 0 364.405 4.023 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000513824605 1088421440 /nfs/dbraw/zinc/42/14/40/1088421440.db2.gz NRYHGVQXMJQZBU-WBKMXMRLSA-N 1 0 368.481 4.276 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cc1[N+](=O)[O-] ZINC000189273699 1088458091 /nfs/dbraw/zinc/45/80/91/1088458091.db2.gz BKSKUUBQTYSISO-HNNXBMFYSA-N 1 0 368.412 4.138 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2(Sc3ccccc3)CC2)n1 ZINC000472630091 1088626462 /nfs/dbraw/zinc/62/64/62/1088626462.db2.gz WJPRVPVMDZOFDE-IRXDYDNUSA-N 1 0 372.494 4.190 20 5 FIBDRO COCC[C@H](C)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414479130 1088727763 /nfs/dbraw/zinc/72/77/63/1088727763.db2.gz HWTVCZYIPLCTEE-AWEZNQCLSA-N 1 0 362.401 4.288 20 5 FIBDRO COCC[C@@H](C)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414479131 1088728546 /nfs/dbraw/zinc/72/85/46/1088728546.db2.gz HWTVCZYIPLCTEE-CQSZACIVSA-N 1 0 362.401 4.288 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(O)c2nc(C)ccc12)c1cccc([N+](=O)[O-])c1 ZINC000514144862 1088819514 /nfs/dbraw/zinc/81/95/14/1088819514.db2.gz JGLLVYFNTHJSFH-SFHVURJKSA-N 1 0 351.406 4.398 20 5 FIBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000181529939 1088924601 /nfs/dbraw/zinc/92/46/01/1088924601.db2.gz UXLQUZYWNYJVDB-KKUMJFAQSA-N 1 0 366.421 4.488 20 5 FIBDRO CC(C)[C@H]1[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000430088008 1088963746 /nfs/dbraw/zinc/96/37/46/1088963746.db2.gz USXROFSEKPUXJC-LJQANCHMSA-N 1 0 354.454 4.006 20 5 FIBDRO CC(C)[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1(CO)CCC1 ZINC000430091647 1088981446 /nfs/dbraw/zinc/98/14/46/1088981446.db2.gz UGJPJKKPDNMIFL-IBGZPJMESA-N 1 0 358.438 4.132 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000415038749 1089074687 /nfs/dbraw/zinc/07/46/87/1089074687.db2.gz QDRLHNSTVHGRIO-KBXCAEBGSA-N 1 0 369.465 4.390 20 5 FIBDRO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549168469 1089093022 /nfs/dbraw/zinc/09/30/22/1089093022.db2.gz LILFZKKOLGHKCC-ZDUSSCGKSA-N 1 0 350.365 4.432 20 5 FIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000549169450 1089104589 /nfs/dbraw/zinc/10/45/89/1089104589.db2.gz UZXLGYPVRXUEGO-OAHLLOKOSA-N 1 0 358.360 4.028 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000434898007 1089115717 /nfs/dbraw/zinc/11/57/17/1089115717.db2.gz SYFVQDUVCIFVQR-APWZRJJASA-N 1 0 367.449 4.110 20 5 FIBDRO Cc1ccn(C2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)n1 ZINC000435058489 1089244826 /nfs/dbraw/zinc/24/48/26/1089244826.db2.gz TYIAEAWBWJTVTR-UHFFFAOYSA-N 1 0 366.421 4.197 20 5 FIBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000435056116 1089245576 /nfs/dbraw/zinc/24/55/76/1089245576.db2.gz LQFPXQCFBUCPMO-LSDHHAIUSA-N 1 0 351.406 4.422 20 5 FIBDRO COc1ccccc1COC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000181552238 1089282778 /nfs/dbraw/zinc/28/27/78/1089282778.db2.gz SHXFQVZRWRNJKM-UHFFFAOYSA-N 1 0 370.449 4.093 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)CCC2 ZINC000365733248 1089941259 /nfs/dbraw/zinc/94/12/59/1089941259.db2.gz HHFHWDNFNZKOAE-WMQCIHAUSA-N 1 0 352.434 4.340 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(Br)nc2)cc1[N+](=O)[O-] ZINC000290674955 1090194695 /nfs/dbraw/zinc/19/46/95/1090194695.db2.gz LPMAGDVZURLLTP-NEPJUHHUSA-N 1 0 364.243 4.473 20 5 FIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416127023 1090208065 /nfs/dbraw/zinc/20/80/65/1090208065.db2.gz CJSIWQCYBFQYFL-FQEVSTJZSA-N 1 0 369.465 4.025 20 5 FIBDRO O=C(CC[NH2+][C@@H](c1ccccc1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000104701890 1090309491 /nfs/dbraw/zinc/30/94/91/1090309491.db2.gz QSAVNASGRWZSLG-FQEVSTJZSA-N 1 0 353.422 4.054 20 5 FIBDRO CC[C@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181593633 1090374165 /nfs/dbraw/zinc/37/41/65/1090374165.db2.gz ZMSHITSMWHHGKY-IERDGZPVSA-N 1 0 368.481 4.256 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccc(NC(N)=O)cc1 ZINC000417302706 1090791797 /nfs/dbraw/zinc/79/17/97/1090791797.db2.gz CTCUSBFANJFCRH-DJJJIMSYSA-N 1 0 368.437 4.204 20 5 FIBDRO CC(C)c1noc(CCC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000417303132 1090792829 /nfs/dbraw/zinc/79/28/29/1090792829.db2.gz DGFIITITZFOSAO-QGZVFWFLSA-N 1 0 358.442 4.091 20 5 FIBDRO CC(=O)Nc1cccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417302802 1090793179 /nfs/dbraw/zinc/79/31/79/1090793179.db2.gz BTXRKZUKBDPOFW-FQEVSTJZSA-N 1 0 353.422 4.111 20 5 FIBDRO COc1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)ccc1SC ZINC000584492949 1090978153 /nfs/dbraw/zinc/97/81/53/1090978153.db2.gz ZRPPESAWAQZEKY-UHFFFAOYSA-N 1 0 371.462 4.139 20 5 FIBDRO CSc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000500236480 1091132846 /nfs/dbraw/zinc/13/28/46/1091132846.db2.gz GSUDWBCRFOIVIZ-AWEZNQCLSA-N 1 0 373.478 4.305 20 5 FIBDRO Cc1c(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)cccc1[N+](=O)[O-] ZINC000327516046 1091232274 /nfs/dbraw/zinc/23/22/74/1091232274.db2.gz KKJRDURWLSPNCJ-UHFFFAOYSA-N 1 0 362.813 4.008 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCCC34CCOCC4)o2)c1 ZINC000500418424 1091477890 /nfs/dbraw/zinc/47/78/90/1091477890.db2.gz AXTQECATUFKKQU-IBGZPJMESA-N 1 0 356.422 4.294 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCCC34CCOCC4)o2)cc1 ZINC000500428622 1091512333 /nfs/dbraw/zinc/51/23/33/1091512333.db2.gz LNKHILACBHTJDG-IBGZPJMESA-N 1 0 356.422 4.294 20 5 FIBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000511759288 1091626415 /nfs/dbraw/zinc/62/64/15/1091626415.db2.gz TUVXCFMSSPSRMK-SZVBFZGTSA-N 1 0 372.852 4.253 20 5 FIBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000511759280 1091626931 /nfs/dbraw/zinc/62/69/31/1091626931.db2.gz TUVXCFMSSPSRMK-AYBZRNKSSA-N 1 0 372.852 4.253 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC3(CCSCC3)C1)CCC2 ZINC000278839564 1091770682 /nfs/dbraw/zinc/77/06/82/1091770682.db2.gz UQSPNLDGEPFYJV-QAPCUYQASA-N 1 0 362.495 4.007 20 5 FIBDRO CN(c1ccccc1)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000512374240 1092186005 /nfs/dbraw/zinc/18/60/05/1092186005.db2.gz DRMGXCJPOGGCLA-CLFYSBASSA-N 1 0 351.450 4.209 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CCCC2)cc1 ZINC000508353524 1092266045 /nfs/dbraw/zinc/26/60/45/1092266045.db2.gz CUCVDFLPXIHQTF-UHFFFAOYSA-N 1 0 362.433 4.480 20 5 FIBDRO C[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)[NH+]1CCC(C)CC1 ZINC000520859188 1092317981 /nfs/dbraw/zinc/31/79/81/1092317981.db2.gz YBVORPAVWZRTLC-QGZVFWFLSA-N 1 0 361.489 4.238 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2COc3ccccc3C2)s1 ZINC000520979744 1092408114 /nfs/dbraw/zinc/40/81/14/1092408114.db2.gz LJEZFDFKHGGGLE-HNNXBMFYSA-N 1 0 366.442 4.417 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)ccc1Oc1ccc(F)cc1 ZINC000438910591 1092524432 /nfs/dbraw/zinc/52/44/32/1092524432.db2.gz BUVGAQBBYCQPIX-SQGPQFPESA-N 1 0 372.396 4.183 20 5 FIBDRO CC(C)C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1ccccc1 ZINC000521177796 1092553399 /nfs/dbraw/zinc/55/33/99/1092553399.db2.gz LDRRCJCIJARTOU-VQIMIIECSA-N 1 0 369.465 4.090 20 5 FIBDRO Cc1cccc(C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC(C)C)c1 ZINC000521195819 1092574699 /nfs/dbraw/zinc/57/46/99/1092574699.db2.gz VSLNNCAYTBCOHO-UHFFFAOYSA-N 1 0 370.449 4.428 20 5 FIBDRO CC[C@](C)(O)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000521379113 1092667850 /nfs/dbraw/zinc/66/78/50/1092667850.db2.gz CKIACCHNKODPQU-SFHVURJKSA-N 1 0 364.829 4.291 20 5 FIBDRO COc1cc(NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000549685007 1092692185 /nfs/dbraw/zinc/69/21/85/1092692185.db2.gz BZQUDNMPVLTPSV-KRWDZBQOSA-N 1 0 361.467 4.040 20 5 FIBDRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000894011043 1092824807 /nfs/dbraw/zinc/82/48/07/1092824807.db2.gz RDSAUISZLDSHLX-UHFFFAOYSA-N 1 0 373.840 4.486 20 5 FIBDRO CSc1ccccc1[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000442880663 1092835143 /nfs/dbraw/zinc/83/51/43/1092835143.db2.gz ZGJUTYSOTFMSJC-KBPBESRZSA-N 1 0 373.478 4.385 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]C2CCSCC2)cc1[N+](=O)[O-] ZINC000521829612 1092932581 /nfs/dbraw/zinc/93/25/81/1092932581.db2.gz NJUQLTUBGIEJTF-UHFFFAOYSA-N 1 0 357.479 4.348 20 5 FIBDRO COc1cccc(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000521817709 1092935841 /nfs/dbraw/zinc/93/58/41/1092935841.db2.gz MEADSLPAWKCTAS-UHFFFAOYSA-N 1 0 352.390 4.196 20 5 FIBDRO CCOc1cc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000432929247 1092962927 /nfs/dbraw/zinc/96/29/27/1092962927.db2.gz QGFUHJIMJXWUQF-MRXNPFEDSA-N 1 0 357.410 4.122 20 5 FIBDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])CCO2 ZINC000614160872 1093018189 /nfs/dbraw/zinc/01/81/89/1093018189.db2.gz ORPVJKITNXCDDA-HNAYVOBHSA-N 1 0 370.449 4.428 20 5 FIBDRO COc1cc(C[N@@H+]2CCCCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490545428 1093114431 /nfs/dbraw/zinc/11/44/31/1093114431.db2.gz MKRATCQWBPYJJM-LBPRGKRZSA-N 1 0 358.385 4.012 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433061447 1093169024 /nfs/dbraw/zinc/16/90/24/1093169024.db2.gz PGNLDSMQXYQTTA-SFHVURJKSA-N 1 0 367.449 4.111 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000433063851 1093173602 /nfs/dbraw/zinc/17/36/02/1093173602.db2.gz ZKJOABHHUIAFFD-WMZOPIPTSA-N 1 0 367.449 4.110 20 5 FIBDRO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCc2cccnc21 ZINC000614215630 1093207849 /nfs/dbraw/zinc/20/78/49/1093207849.db2.gz NMUZSEWMYKJSEM-QGZVFWFLSA-N 1 0 366.421 4.421 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(CO)CC(c3ccccc3)C1)CCC2 ZINC000433090220 1093234038 /nfs/dbraw/zinc/23/40/38/1093234038.db2.gz RBOPOCCHJONTHN-NFOQDIRWSA-N 1 0 366.461 4.118 20 5 FIBDRO O=[N+]([O-])c1c(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc2ncccc21 ZINC000383873356 1093292320 /nfs/dbraw/zinc/29/23/20/1093292320.db2.gz ZYCKWXZCXXAYTL-KRWDZBQOSA-N 1 0 362.433 4.077 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2-n2cccn2)c2cc([N+](=O)[O-])ccc21 ZINC000433165208 1093353897 /nfs/dbraw/zinc/35/38/97/1093353897.db2.gz UGBSGQHQWBUOSD-LJQANCHMSA-N 1 0 362.433 4.293 20 5 FIBDRO CCCCn1cc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c(C)n1 ZINC000433218737 1093445354 /nfs/dbraw/zinc/44/53/54/1093445354.db2.gz HTOKENUQTOTOOD-LJQANCHMSA-N 1 0 356.470 4.412 20 5 FIBDRO Cc1cccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000047284060 1093465966 /nfs/dbraw/zinc/46/59/66/1093465966.db2.gz GHVAJWOXMQIQPJ-HNNXBMFYSA-N 1 0 367.449 4.387 20 5 FIBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000512873718 1093491237 /nfs/dbraw/zinc/49/12/37/1093491237.db2.gz DVRUXBRMSIEVLH-LRDDRELGSA-N 1 0 362.426 4.367 20 5 FIBDRO CC1(C)C[C@H](NC2CC[NH+](C3CCCC3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433280734 1093523225 /nfs/dbraw/zinc/52/32/25/1093523225.db2.gz DZQQGSQGXDBZPW-FQEVSTJZSA-N 1 0 357.498 4.314 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)cc1 ZINC000544360649 1093540518 /nfs/dbraw/zinc/54/05/18/1093540518.db2.gz VVLXADDNNLNHEY-FQEVSTJZSA-N 1 0 369.371 4.190 20 5 FIBDRO CC(C)c1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000474173358 1093552241 /nfs/dbraw/zinc/55/22/41/1093552241.db2.gz UCGYAXDLNRGLDT-NVXWUHKLSA-N 1 0 373.497 4.101 20 5 FIBDRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000237319187 1093645038 /nfs/dbraw/zinc/64/50/38/1093645038.db2.gz FLEJYGQALDXDJD-ZDUSSCGKSA-N 1 0 350.365 4.307 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCCCC3)CC2)c(C(F)(F)F)c1 ZINC000204256601 1093706841 /nfs/dbraw/zinc/70/68/41/1093706841.db2.gz XUEASANJTFMBLN-UHFFFAOYSA-N 1 0 357.376 4.068 20 5 FIBDRO CCc1ccc([C@@H](NC2CC[NH+](C(C)C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542475626 1093717639 /nfs/dbraw/zinc/71/76/39/1093717639.db2.gz BXGDQMPUOTUFFF-NRFANRHFSA-N 1 0 371.481 4.302 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CC[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513084666 1093786064 /nfs/dbraw/zinc/78/60/64/1093786064.db2.gz WSWYGMJHDMPEIF-KDOFPFPSSA-N 1 0 356.422 4.071 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C[C@H]2OC)cc1[N+](=O)[O-] ZINC000513087637 1093798480 /nfs/dbraw/zinc/79/84/80/1093798480.db2.gz BMSQQWDRBQUIHO-WAOWUJCRSA-N 1 0 370.449 4.044 20 5 FIBDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1[N+](=O)[O-] ZINC000052611838 1093836346 /nfs/dbraw/zinc/83/63/46/1093836346.db2.gz CKQXNXPFUJSKHV-OAHLLOKOSA-N 1 0 367.405 4.124 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000513124093 1093862167 /nfs/dbraw/zinc/86/21/67/1093862167.db2.gz ZFSVLBQLXAPVHB-OCTSTCLRSA-N 1 0 366.417 4.216 20 5 FIBDRO CCc1ccc([C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)[NH+](C)C)cc1 ZINC000015129057 1093872491 /nfs/dbraw/zinc/87/24/91/1093872491.db2.gz VKYLELAGOWRGHM-NRFANRHFSA-N 1 0 364.449 4.420 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000182643091 1094156974 /nfs/dbraw/zinc/15/69/74/1094156974.db2.gz HOOLFLGQTVNESG-CQSZACIVSA-N 1 0 367.405 4.329 20 5 FIBDRO CC(C)c1ccc(C(=O)Nc2ccccc2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000474632045 1094470216 /nfs/dbraw/zinc/47/02/16/1094470216.db2.gz UKNHQQLARWLJSD-UHFFFAOYSA-N 1 0 355.438 4.075 20 5 FIBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000501089499 1094490060 /nfs/dbraw/zinc/49/00/60/1094490060.db2.gz KHADGDKHWRMSOG-HNNXBMFYSA-N 1 0 371.437 4.015 20 5 FIBDRO C[N@H+](CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000501581883 1094783819 /nfs/dbraw/zinc/78/38/19/1094783819.db2.gz PYGDGQDJLPDCMJ-UHFFFAOYSA-N 1 0 368.865 4.024 20 5 FIBDRO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501845379 1094960029 /nfs/dbraw/zinc/96/00/29/1094960029.db2.gz WXJZFNOCGLKQDG-SJLPKXTDSA-N 1 0 367.449 4.192 20 5 FIBDRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000501852322 1094970617 /nfs/dbraw/zinc/97/06/17/1094970617.db2.gz QTIOXBXIBINTPN-AEFFLSMTSA-N 1 0 367.449 4.110 20 5 FIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cnn(C2CCCC2)c1 ZINC000502412226 1095435640 /nfs/dbraw/zinc/43/56/40/1095435640.db2.gz CENHJXFYVXYQRQ-ZDUSSCGKSA-N 1 0 362.861 4.453 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CC2(COC)CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000502597306 1095621864 /nfs/dbraw/zinc/62/18/64/1095621864.db2.gz TZYQPGXSOQSHRM-LJQANCHMSA-N 1 0 358.438 4.246 20 5 FIBDRO COCCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cc1 ZINC000281884589 1095733472 /nfs/dbraw/zinc/73/34/72/1095733472.db2.gz GMDTWXUFDNTPEW-SFHVURJKSA-N 1 0 362.401 4.000 20 5 FIBDRO COC1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCC1 ZINC000503920866 1096587987 /nfs/dbraw/zinc/58/79/87/1096587987.db2.gz NJXKDPBFLZGEBY-UHFFFAOYSA-N 1 0 360.385 4.185 20 5 FIBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](C)c1ccc(F)cc1 ZINC000532926876 1098595088 /nfs/dbraw/zinc/59/50/88/1098595088.db2.gz QIBRYXFCVDNQAV-OAHLLOKOSA-N 1 0 373.428 4.454 20 5 FIBDRO Cc1cc(NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000515550473 1098691141 /nfs/dbraw/zinc/69/11/41/1098691141.db2.gz SOTYIHOMBTXDSO-IRXDYDNUSA-N 1 0 369.465 4.125 20 5 FIBDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000533045254 1098709397 /nfs/dbraw/zinc/70/93/97/1098709397.db2.gz AHDKRZUZPVVBBD-IFXJQAMLSA-N 1 0 353.422 4.053 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000515559212 1098719784 /nfs/dbraw/zinc/71/97/84/1098719784.db2.gz GEIVJGZDEBABFN-LJQANCHMSA-N 1 0 372.852 4.432 20 5 FIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccn4)nc3)C2)cc1 ZINC000425470354 1098741315 /nfs/dbraw/zinc/74/13/15/1098741315.db2.gz FNGNJXLQHUJEPA-LJQANCHMSA-N 1 0 374.444 4.431 20 5 FIBDRO Cc1cccc(C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000533241533 1098900232 /nfs/dbraw/zinc/90/02/32/1098900232.db2.gz AZAITJDXSDNXJQ-UHFFFAOYSA-N 1 0 351.406 4.233 20 5 FIBDRO CC[C@H](c1ccccc1)[N@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000508671903 1099477036 /nfs/dbraw/zinc/47/70/36/1099477036.db2.gz PHMXUDAIHPCMGD-LJQANCHMSA-N 1 0 356.422 4.435 20 5 FIBDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237409209 1099484790 /nfs/dbraw/zinc/48/47/90/1099484790.db2.gz YZWXJUMNGROJDW-AWEZNQCLSA-N 1 0 370.478 4.254 20 5 FIBDRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237435003 1099526552 /nfs/dbraw/zinc/52/65/52/1099526552.db2.gz FWQYVJQLOSESCI-GFCCVEGCSA-N 1 0 356.451 4.216 20 5 FIBDRO CC[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(OC)c1 ZINC000516508955 1099553147 /nfs/dbraw/zinc/55/31/47/1099553147.db2.gz RCJKRLFUGHLENZ-IBGZPJMESA-N 1 0 353.422 4.368 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1)C1CC1 ZINC000508769250 1100046656 /nfs/dbraw/zinc/04/66/56/1100046656.db2.gz NZHHKMWATVBKNP-UHFFFAOYSA-N 1 0 367.449 4.448 20 5 FIBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000536667724 1100125996 /nfs/dbraw/zinc/12/59/96/1100125996.db2.gz OJWHBZHYXGCNNB-CHWSQXEVSA-N 1 0 364.829 4.244 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCSCC(F)(F)F)o2)cc1 ZINC000536706863 1100223749 /nfs/dbraw/zinc/22/37/49/1100223749.db2.gz BVHPUOLZJFTBMX-UHFFFAOYSA-N 1 0 360.357 4.240 20 5 FIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425922446 1100261937 /nfs/dbraw/zinc/26/19/37/1100261937.db2.gz KEAUYHWPWXJEFN-CYBMUJFWSA-N 1 0 371.412 4.118 20 5 FIBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 ZINC000536840485 1100351564 /nfs/dbraw/zinc/35/15/64/1100351564.db2.gz QXSGWGNXHYDEHE-ZDUSSCGKSA-N 1 0 368.355 4.429 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000536860051 1100377994 /nfs/dbraw/zinc/37/79/94/1100377994.db2.gz YDZGEBWYNHXTAP-INIZCTEOSA-N 1 0 354.406 4.140 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000536877475 1100399321 /nfs/dbraw/zinc/39/93/21/1100399321.db2.gz PAJOMFTVBODEEL-HNNXBMFYSA-N 1 0 365.543 4.318 20 5 FIBDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536878025 1100401821 /nfs/dbraw/zinc/40/18/21/1100401821.db2.gz PPEOYRFRLPVTQZ-KBPBESRZSA-N 1 0 364.467 4.025 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]CC3(O)CCC3)cc2[N+](=O)[O-])cc1 ZINC000517711365 1100624021 /nfs/dbraw/zinc/62/40/21/1100624021.db2.gz IWDXDMDPBXHFCX-UHFFFAOYSA-N 1 0 358.463 4.059 20 5 FIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000426018760 1100672410 /nfs/dbraw/zinc/67/24/10/1100672410.db2.gz QFDMCUIPUQVGEM-NWDGAFQWSA-N 1 0 361.364 4.023 20 5 FIBDRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000426037117 1100697039 /nfs/dbraw/zinc/69/70/39/1100697039.db2.gz QZDQEEIPVWGBDE-RYUDHWBXSA-N 1 0 361.364 4.023 20 5 FIBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Oc1ccccc1 ZINC000506277165 1100746229 /nfs/dbraw/zinc/74/62/29/1100746229.db2.gz KJDIMHGZFICHKR-OAHLLOKOSA-N 1 0 352.390 4.412 20 5 FIBDRO COC1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000506282871 1100771574 /nfs/dbraw/zinc/77/15/74/1100771574.db2.gz XHPGNRLGXYVMTF-UHFFFAOYSA-N 1 0 360.385 4.137 20 5 FIBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Oc1ccccc1 ZINC000506287202 1100780908 /nfs/dbraw/zinc/78/09/08/1100780908.db2.gz YQKYSHVYHIOFBA-OAHLLOKOSA-N 1 0 352.390 4.412 20 5 FIBDRO C[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)[N@@H+]1CCC[C@H](C)C1 ZINC000518031468 1100874427 /nfs/dbraw/zinc/87/44/27/1100874427.db2.gz VJAGHZJMENWWTM-IRXDYDNUSA-N 1 0 361.489 4.238 20 5 FIBDRO Cc1ccc(C(C)C)c(Oc2ccc(CN3CC[C@@H](O)C3)cc2[N+](=O)[O-])c1 ZINC000506343344 1100904853 /nfs/dbraw/zinc/90/48/53/1100904853.db2.gz WAOZVVNCHGJNOA-QGZVFWFLSA-N 1 0 370.449 4.386 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(O)CCCCC2)ccc1Oc1ccc(F)cc1 ZINC000518273222 1101055726 /nfs/dbraw/zinc/05/57/26/1101055726.db2.gz NHLYKGLZLVLXEG-UHFFFAOYSA-N 1 0 374.412 4.311 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCOc1ccccc1C(C)C ZINC000518449872 1101209162 /nfs/dbraw/zinc/20/91/62/1101209162.db2.gz SZURMUAIMJRIRI-UHFFFAOYSA-N 1 0 358.438 4.286 20 5 FIBDRO CCSc1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000426350530 1101337207 /nfs/dbraw/zinc/33/72/07/1101337207.db2.gz HRLTVHCJYFVFCN-IRXDYDNUSA-N 1 0 360.483 4.177 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1cc2cccc(F)c2o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000475711767 1101423280 /nfs/dbraw/zinc/42/32/80/1101423280.db2.gz DCHBCQPQYPABHM-VXGBXAGGSA-N 1 0 371.368 4.158 20 5 FIBDRO CC(C)(C)C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000537050736 1101427696 /nfs/dbraw/zinc/42/76/96/1101427696.db2.gz XGVUATAHASPWTL-QGZVFWFLSA-N 1 0 373.428 4.100 20 5 FIBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1 ZINC000537052135 1101429183 /nfs/dbraw/zinc/42/91/83/1101429183.db2.gz SWKBTCBFDGTFAD-QGZVFWFLSA-N 1 0 355.438 4.281 20 5 FIBDRO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000426378058 1101430723 /nfs/dbraw/zinc/43/07/23/1101430723.db2.gz OQAGWZQYRWLZPK-UHFFFAOYSA-N 1 0 358.413 4.224 20 5 FIBDRO O=C(C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000537110314 1101476750 /nfs/dbraw/zinc/47/67/50/1101476750.db2.gz UFNOJKMOTOPRRH-HXUWFJFHSA-N 1 0 371.412 4.194 20 5 FIBDRO Cc1cccc(C(C)(C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000537114006 1101478598 /nfs/dbraw/zinc/47/85/98/1101478598.db2.gz VWZQXLTUFBOGAX-UHFFFAOYSA-N 1 0 355.438 4.065 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc2[nH]c(C)c(C)c2c1 ZINC000509604270 1101553392 /nfs/dbraw/zinc/55/33/92/1101553392.db2.gz XZBLZSBATDUTKI-UHFFFAOYSA-N 1 0 353.422 4.381 20 5 FIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1N(C)C ZINC000518828604 1101615427 /nfs/dbraw/zinc/61/54/27/1101615427.db2.gz NDMSKZJDQMKYAQ-CQSZACIVSA-N 1 0 352.438 4.035 20 5 FIBDRO CC(C)[C@H](O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000537386385 1101723657 /nfs/dbraw/zinc/72/36/57/1101723657.db2.gz OFPSPNHAQUDIRV-SFHVURJKSA-N 1 0 360.479 4.210 20 5 FIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000760483220 1101986569 /nfs/dbraw/zinc/98/65/69/1101986569.db2.gz IAOBMYVJPKEZJH-NFAWXSAZSA-N 1 0 369.412 4.038 20 5 FIBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001168192128 1102256575 /nfs/dbraw/zinc/25/65/75/1102256575.db2.gz IDSBPNXSXASJIP-HOTGVXAUSA-N 1 0 373.884 4.343 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000237951749 1102290334 /nfs/dbraw/zinc/29/03/34/1102290334.db2.gz RKMDSPKPIZGBNJ-GUWAZMKPSA-N 1 0 366.417 4.120 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000532451995 1102344060 /nfs/dbraw/zinc/34/40/60/1102344060.db2.gz CLBIYIMFMTUSSP-UWJYYQICSA-N 1 0 353.466 4.391 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C2(CO)CCC2)cc1 ZINC000532628384 1102605118 /nfs/dbraw/zinc/60/51/18/1102605118.db2.gz HRPGOYVWQNBZAV-UHFFFAOYSA-N 1 0 362.813 4.045 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC(OCC4CC4)CC3)o2)c1 ZINC000537647406 1102651229 /nfs/dbraw/zinc/65/12/29/1102651229.db2.gz KZMFATNVDNGNKV-UHFFFAOYSA-N 1 0 356.422 4.246 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]CCc2cc(C(F)(F)F)ccn2)cccc1[N+](=O)[O-] ZINC000550881709 1102653514 /nfs/dbraw/zinc/65/35/14/1102653514.db2.gz CAGZENMUMCCWRF-GFCCVEGCSA-N 1 0 353.344 4.210 20 5 FIBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000053279682 1102658471 /nfs/dbraw/zinc/65/84/71/1102658471.db2.gz MDXLNRKFZXZAGJ-GOSISDBHSA-N 1 0 364.405 4.290 20 5 FIBDRO CC1CC[NH+](Cc2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2)CC1 ZINC000133882216 1102660866 /nfs/dbraw/zinc/66/08/66/1102660866.db2.gz FZLVFUVQGBYKLZ-UHFFFAOYSA-N 1 0 371.412 4.218 20 5 FIBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000537649427 1102672478 /nfs/dbraw/zinc/67/24/78/1102672478.db2.gz LAPOVCFTJIIRCA-KRWDZBQOSA-N 1 0 369.465 4.019 20 5 FIBDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192614841 1102697858 /nfs/dbraw/zinc/69/78/58/1102697858.db2.gz HRHPTNKWKJCHQQ-ORAYPTAESA-N 1 0 356.422 4.340 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000537660105 1102784439 /nfs/dbraw/zinc/78/44/39/1102784439.db2.gz ZDQHOGMJNKSCNM-QVKFZJNVSA-N 1 0 362.433 4.188 20 5 FIBDRO CC(C)c1ccc(C[NH2+]CCCN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000729680655 1103034300 /nfs/dbraw/zinc/03/43/00/1103034300.db2.gz LASBTVCTSFPUNX-UHFFFAOYSA-N 1 0 365.474 4.065 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccc(Cn3cccn3)c1)CCC2 ZINC000192710283 1103173331 /nfs/dbraw/zinc/17/33/31/1103173331.db2.gz IPISBJGBVWPOGS-OAQYLSRUSA-N 1 0 362.433 4.007 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000551405606 1103180626 /nfs/dbraw/zinc/18/06/26/1103180626.db2.gz VNGODAVCIQFALD-UHFFFAOYSA-N 1 0 365.433 4.021 20 5 FIBDRO O=[N+]([O-])c1ccc(CN(Cc2conc2Cc2ccccc2)C2CC2)cc1 ZINC000507241917 1103236315 /nfs/dbraw/zinc/23/63/15/1103236315.db2.gz CBEDSMQHANCBLZ-UHFFFAOYSA-N 1 0 363.417 4.338 20 5 FIBDRO CSc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000507505719 1103449698 /nfs/dbraw/zinc/44/96/98/1103449698.db2.gz DNIXDLULFDQHCQ-KGLIPLIRSA-N 1 0 373.478 4.303 20 5 FIBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC[C@@H]1O ZINC000438334648 1103455535 /nfs/dbraw/zinc/45/55/35/1103455535.db2.gz MKMDMXATCDFPSR-KRWDZBQOSA-N 1 0 364.829 4.101 20 5 FIBDRO CCSc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000507554414 1103477675 /nfs/dbraw/zinc/47/76/75/1103477675.db2.gz VEGDXMPGGSVDEL-KGLIPLIRSA-N 1 0 373.478 4.385 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000129396152 1103699077 /nfs/dbraw/zinc/69/90/77/1103699077.db2.gz QSRJPCRATAIONX-GOSISDBHSA-N 1 0 367.449 4.062 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)ccc1Oc1ccc(F)cc1 ZINC000536338365 1104756781 /nfs/dbraw/zinc/75/67/81/1104756781.db2.gz GGMVGVYVVUUFHG-YLJYHZDGSA-N 1 0 372.396 4.183 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOC(F)(F)F)o2)c(Cl)c1 ZINC000474005300 1105100949 /nfs/dbraw/zinc/10/09/49/1105100949.db2.gz LGUBOTCQZYGXEP-UHFFFAOYSA-N 1 0 364.707 4.134 20 5 FIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000451117520 1106929789 /nfs/dbraw/zinc/92/97/89/1106929789.db2.gz UWHYYUGQBOXJQK-AWEZNQCLSA-N 1 0 353.422 4.152 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccccc1OC(F)F ZINC000530407349 1107011480 /nfs/dbraw/zinc/01/14/80/1107011480.db2.gz QTWYBSNQGJOAGK-CYBMUJFWSA-N 1 0 350.365 4.398 20 5 FIBDRO CC[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC(F)(F)F ZINC000840876547 1107011414 /nfs/dbraw/zinc/01/14/14/1107011414.db2.gz NVPCVLBOHLBRBK-CYBMUJFWSA-N 1 0 359.392 4.132 20 5 FIBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000186435641 1107097715 /nfs/dbraw/zinc/09/77/15/1107097715.db2.gz QEFKAIPPPIDDIV-NRFANRHFSA-N 1 0 352.434 4.350 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C1CCOCC1 ZINC000530566758 1107148705 /nfs/dbraw/zinc/14/87/05/1107148705.db2.gz LRGJRNQRWUYDOC-SFHVURJKSA-N 1 0 374.437 4.158 20 5 FIBDRO COCC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000451698652 1107256582 /nfs/dbraw/zinc/25/65/82/1107256582.db2.gz ZRWSDGVUOWZJCG-MRXNPFEDSA-N 1 0 368.355 4.481 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000530727599 1107291307 /nfs/dbraw/zinc/29/13/07/1107291307.db2.gz BLGOABTVCCMEMM-OLZOCXBDSA-N 1 0 361.829 4.234 20 5 FIBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC000121346771 1107395417 /nfs/dbraw/zinc/39/54/17/1107395417.db2.gz NYKXQAFLEWSYKN-OAHLLOKOSA-N 1 0 363.417 4.062 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)C1CC1 ZINC000127388065 1107604227 /nfs/dbraw/zinc/60/42/27/1107604227.db2.gz GPUOTWNMCJYSKD-RTBURBONSA-N 1 0 358.482 4.387 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OC ZINC000475557601 1107718780 /nfs/dbraw/zinc/71/87/80/1107718780.db2.gz ZFVVGBSUKXRWLF-YOEHRIQHSA-N 1 0 374.412 4.177 20 5 FIBDRO COc1ccc2nc(CN(Cc3ccc([N+](=O)[O-])cc3)C3CC3)sc2c1 ZINC000475579938 1107792800 /nfs/dbraw/zinc/79/28/00/1107792800.db2.gz WPUBEWKSMVSKIX-UHFFFAOYSA-N 1 0 369.446 4.378 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000531451730 1107895967 /nfs/dbraw/zinc/89/59/67/1107895967.db2.gz CTAKSLLOJVZPNW-GXTWGEPZSA-N 1 0 360.376 4.452 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@@H]1c1ccccc1 ZINC000444651924 1108048340 /nfs/dbraw/zinc/04/83/40/1108048340.db2.gz QKKTYNAHAGSCQD-PBHICJAKSA-N 1 0 350.422 4.097 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CCC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000520213301 1108052258 /nfs/dbraw/zinc/05/22/58/1108052258.db2.gz UGMSWINQCLBLLV-BEFAXECRSA-N 1 0 370.449 4.461 20 5 FIBDRO Cc1cc([C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)ccc1F ZINC000444669618 1108073197 /nfs/dbraw/zinc/07/31/97/1108073197.db2.gz FNMJZSQEQFVUBU-IBGZPJMESA-N 1 0 354.385 4.160 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)N1CCc2sccc2C1 ZINC000531698424 1108077057 /nfs/dbraw/zinc/07/70/57/1108077057.db2.gz AWKPAJNZOOXLGR-GJZGRUSLSA-N 1 0 359.495 4.062 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCCC(F)(F)C3)cs2)c1 ZINC000531759878 1108147763 /nfs/dbraw/zinc/14/77/63/1108147763.db2.gz XYAHKWQECVGERR-LBPRGKRZSA-N 1 0 353.394 4.386 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]CC2(c3ccc(F)cc3)CCOCC2)cccc1[N+](=O)[O-] ZINC000152056430 1108291123 /nfs/dbraw/zinc/29/11/23/1108291123.db2.gz OLUMUCVQVXNBLK-MRXNPFEDSA-N 1 0 372.440 4.441 20 5 FIBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000453381056 1108466825 /nfs/dbraw/zinc/46/68/25/1108466825.db2.gz LAYRXXDVMHSDJC-JSNMRZPZSA-N 1 0 367.449 4.222 20 5 FIBDRO CC[C@H]([NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000453383281 1108467823 /nfs/dbraw/zinc/46/78/23/1108467823.db2.gz SJDBAHSLBNOEDD-WJFTUGDTSA-N 1 0 372.469 4.029 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000532187547 1108698534 /nfs/dbraw/zinc/69/85/34/1108698534.db2.gz JOGZNDHISIWXBV-CYBMUJFWSA-N 1 0 350.365 4.398 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C)N2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000532209748 1108711872 /nfs/dbraw/zinc/71/18/72/1108711872.db2.gz UVGUWQNFKSZFHL-DZGCQCFKSA-N 1 0 359.495 4.062 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000152108683 1108712061 /nfs/dbraw/zinc/71/20/61/1108712061.db2.gz NVIZTWICKVFYQQ-OAQYLSRUSA-N 1 0 364.449 4.471 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000532246718 1108725895 /nfs/dbraw/zinc/72/58/95/1108725895.db2.gz OGADFIGTSVAOSY-ZIAGYGMSSA-N 1 0 361.392 4.111 20 5 FIBDRO CCC[C@](C)(O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000524295054 1108955130 /nfs/dbraw/zinc/95/51/30/1108955130.db2.gz ZENHGFWCKVDYSM-IBGZPJMESA-N 1 0 362.401 4.167 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000445991624 1109072502 /nfs/dbraw/zinc/07/25/02/1109072502.db2.gz HKJOHPTVEWMPME-RTBURBONSA-N 1 0 367.449 4.158 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3sc(C)nc3C)o2)c([N+](=O)[O-])c1 ZINC000525194912 1109298636 /nfs/dbraw/zinc/29/86/36/1109298636.db2.gz LGWMIZYEWRLOTM-UHFFFAOYSA-N 1 0 373.434 4.227 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000447085381 1109432047 /nfs/dbraw/zinc/43/20/47/1109432047.db2.gz IISLYUCRRBZBEJ-QINSGFPZSA-N 1 0 371.412 4.076 20 5 FIBDRO CC[NH+](CC)Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1COC ZINC000525642228 1109465881 /nfs/dbraw/zinc/46/58/81/1109465881.db2.gz UAKQUNBHUYHQNH-UHFFFAOYSA-N 1 0 357.454 4.195 20 5 FIBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000525707230 1109487062 /nfs/dbraw/zinc/48/70/62/1109487062.db2.gz BALAAOSUJZHFQY-SCLBCKFNSA-N 1 0 361.467 4.160 20 5 FIBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000525707229 1109487117 /nfs/dbraw/zinc/48/71/17/1109487117.db2.gz BALAAOSUJZHFQY-FZKQIMNGSA-N 1 0 361.467 4.160 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000447368181 1109525183 /nfs/dbraw/zinc/52/51/83/1109525183.db2.gz PIXQQMOCUKBTNI-CQSZACIVSA-N 1 0 359.401 4.042 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCN(Cc3ccccc3)CC1)CCC2 ZINC000447522382 1109560077 /nfs/dbraw/zinc/56/00/77/1109560077.db2.gz YLGDQJUSHTXOND-QFIPXVFZSA-N 1 0 365.477 4.226 20 5 FIBDRO COc1ccc([C@H](C)CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447537827 1109571525 /nfs/dbraw/zinc/57/15/25/1109571525.db2.gz YVJMOMIXBZLGTH-MNEFBYGVSA-N 1 0 372.469 4.067 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cccc3ccccc32)n1 ZINC000447542324 1109573422 /nfs/dbraw/zinc/57/34/22/1109573422.db2.gz OPBZKFIHVWOZLD-OALUTQOASA-N 1 0 350.422 4.218 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2csc3ccccc23)n1 ZINC000447545519 1109574617 /nfs/dbraw/zinc/57/46/17/1109574617.db2.gz XJQCSXBZAUHAKV-SJORKVTESA-N 1 0 370.478 4.322 20 5 FIBDRO CCO[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000447559216 1109581658 /nfs/dbraw/zinc/58/16/58/1109581658.db2.gz SJSSCVOPCKOTMB-FPOVZHCZSA-N 1 0 354.450 4.283 20 5 FIBDRO CSc1cc(C)ccc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447578441 1109593428 /nfs/dbraw/zinc/59/34/28/1109593428.db2.gz FNJKAZPMEUVMKI-HOTGVXAUSA-N 1 0 360.483 4.095 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(C(F)F)cc2)n1 ZINC000447603460 1109599566 /nfs/dbraw/zinc/59/95/66/1109599566.db2.gz XQWLRLLHWQGNFQ-LSDHHAIUSA-N 1 0 350.369 4.002 20 5 FIBDRO Cc1ccc(C(=O)C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000054317717 1109753590 /nfs/dbraw/zinc/75/35/90/1109753590.db2.gz QWHPOOLLKUGQJH-UHFFFAOYSA-N 1 0 352.434 4.041 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000449099784 1109975822 /nfs/dbraw/zinc/97/58/22/1109975822.db2.gz UXHCIMBEGUQXLT-PBEJRMEISA-N 1 0 354.450 4.283 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000449167566 1109990884 /nfs/dbraw/zinc/99/08/84/1109990884.db2.gz KIXPZPQMTIKREK-JKSUJKDBSA-N 1 0 350.422 4.062 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCCCC2(F)F)c1 ZINC000449377868 1110052333 /nfs/dbraw/zinc/05/23/33/1110052333.db2.gz PPIGBCCJCUCAOC-LLVKDONJSA-N 1 0 350.312 4.111 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H](O)C(F)F ZINC000449421573 1110069899 /nfs/dbraw/zinc/06/98/99/1110069899.db2.gz IYVZVFIDRHMFLO-HIFRSBDPSA-N 1 0 374.771 4.002 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000449439908 1110080472 /nfs/dbraw/zinc/08/04/72/1110080472.db2.gz XCWUBZPIOZDDMO-QGZVFWFLSA-N 1 0 368.355 4.135 20 5 FIBDRO Cc1cc([C@@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C2CC2)ccc1F ZINC000538323549 1111091185 /nfs/dbraw/zinc/09/11/85/1111091185.db2.gz PTPNVMZVGNURSJ-YJYMSZOUSA-N 1 0 371.412 4.110 20 5 FIBDRO Cn1cc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538399557 1111115835 /nfs/dbraw/zinc/11/58/35/1111115835.db2.gz NUFRIWBBMVZQLG-YXJHDRRASA-N 1 0 354.454 4.054 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538730443 1111267516 /nfs/dbraw/zinc/26/75/16/1111267516.db2.gz LGHIFMZEQSASAG-OAHLLOKOSA-N 1 0 356.422 4.167 20 5 FIBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000539049943 1111399508 /nfs/dbraw/zinc/39/95/08/1111399508.db2.gz CPPFXWAAMJVMEC-JTQLQIEISA-N 1 0 355.257 4.312 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000539052821 1111400957 /nfs/dbraw/zinc/40/09/57/1111400957.db2.gz OERQQVYJPZIDHN-WBMJQRKESA-N 1 0 368.355 4.306 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000539053158 1111402391 /nfs/dbraw/zinc/40/23/91/1111402391.db2.gz OTOCBABNSJMRNL-KXBFYZLASA-N 1 0 364.449 4.015 20 5 FIBDRO CCOc1ccccc1[C@@H](CC)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000539252803 1111487720 /nfs/dbraw/zinc/48/77/20/1111487720.db2.gz OHSNUYBGQJKJHT-RDTXWAMCSA-N 1 0 371.437 4.061 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)C1CC1 ZINC000477933639 1111606315 /nfs/dbraw/zinc/60/63/15/1111606315.db2.gz TWQKACHDEOZVSN-KCZVDYSFSA-N 1 0 366.461 4.283 20 5 FIBDRO CCC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000552853282 1111830037 /nfs/dbraw/zinc/83/00/37/1111830037.db2.gz UWZBOKKDFZRYPB-SFHVURJKSA-N 1 0 355.438 4.363 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)c3cccnc3)o2)c([N+](=O)[O-])c1 ZINC000553364943 1111958645 /nfs/dbraw/zinc/95/86/45/1111958645.db2.gz DPLPFKKKITWBMZ-ZDUSSCGKSA-N 1 0 353.378 4.109 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000553528703 1111995144 /nfs/dbraw/zinc/99/51/44/1111995144.db2.gz FONJVZUDTCPVEW-GFCCVEGCSA-N 1 0 362.813 4.179 20 5 FIBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000479364470 1112007113 /nfs/dbraw/zinc/00/71/13/1112007113.db2.gz IQILOEOITUWHEM-OAHLLOKOSA-N 1 0 371.485 4.106 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)C1CC1 ZINC000480332950 1112386396 /nfs/dbraw/zinc/38/63/96/1112386396.db2.gz UKZMEDHMZFLCJU-KRWDZBQOSA-N 1 0 370.840 4.007 20 5 FIBDRO O=C(CC[NH2+]C1CCC(c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000554527206 1112390243 /nfs/dbraw/zinc/39/02/43/1112390243.db2.gz GNLWLUXJDAREJL-UHFFFAOYSA-N 1 0 367.449 4.239 20 5 FIBDRO Cc1c(C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000480453577 1112429220 /nfs/dbraw/zinc/42/92/20/1112429220.db2.gz LMLFDXCSEJGVQA-UHFFFAOYSA-N 1 0 356.813 4.237 20 5 FIBDRO Cc1cc(NCc2ccccc2[N+](=O)[O-])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000480502085 1112450852 /nfs/dbraw/zinc/45/08/52/1112450852.db2.gz UXJWPYMGANDDRE-UHFFFAOYSA-N 1 0 368.481 4.046 20 5 FIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1COc2ccccc21 ZINC000555423882 1112829387 /nfs/dbraw/zinc/82/93/87/1112829387.db2.gz YLLRNHUAWAXKEY-ABAIWWIYSA-N 1 0 366.339 4.268 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000555596833 1112941871 /nfs/dbraw/zinc/94/18/71/1112941871.db2.gz QEJOOQLAPANYKT-HWKANZROSA-N 1 0 370.424 4.129 20 5 FIBDRO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482324050 1113223381 /nfs/dbraw/zinc/22/33/81/1113223381.db2.gz AILMTARFMQMNDD-KGLIPLIRSA-N 1 0 357.479 4.211 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000249205485 1113399687 /nfs/dbraw/zinc/39/96/87/1113399687.db2.gz VQPVDGMWEMOKNW-JGGQBBKZSA-N 1 0 360.376 4.037 20 5 FIBDRO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000160764405 1113447887 /nfs/dbraw/zinc/44/78/87/1113447887.db2.gz HPQKOLVFWMPELM-UWVAXJGDSA-N 1 0 353.466 4.156 20 5 FIBDRO COc1cccc(N2CCC[C@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000483168446 1113460142 /nfs/dbraw/zinc/46/01/42/1113460142.db2.gz MJQAVTIBXSLTCX-SJORKVTESA-N 1 0 369.465 4.231 20 5 FIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483240515 1113469505 /nfs/dbraw/zinc/46/95/05/1113469505.db2.gz RIZCLZXBVFSEOJ-UKRRQHHQSA-N 1 0 358.442 4.464 20 5 FIBDRO CCOc1cc(NCc2ccccc2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000486435106 1113567498 /nfs/dbraw/zinc/56/74/98/1113567498.db2.gz QKSAPDBGMUCLAH-UHFFFAOYSA-N 1 0 355.438 4.201 20 5 FIBDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000174533876 1113697463 /nfs/dbraw/zinc/69/74/63/1113697463.db2.gz NVYGKQSDQXJKOD-AWEZNQCLSA-N 1 0 370.478 4.025 20 5 FIBDRO C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488717526 1113981993 /nfs/dbraw/zinc/98/19/93/1113981993.db2.gz DPQXRRIGWVQECL-GFCCVEGCSA-N 1 0 368.359 4.208 20 5 FIBDRO CC(C)(C)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000488730896 1113986315 /nfs/dbraw/zinc/98/63/15/1113986315.db2.gz SUYLYQGONONOJN-CYBMUJFWSA-N 1 0 353.850 4.087 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000490149831 1114218357 /nfs/dbraw/zinc/21/83/57/1114218357.db2.gz ABDQIGLMCNZBRH-AWEZNQCLSA-N 1 0 350.422 4.412 20 5 FIBDRO CC(C)c1ccc([C@@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000490670472 1114315711 /nfs/dbraw/zinc/31/57/11/1114315711.db2.gz FXUZBAFBZPSSMR-FQEVSTJZSA-N 1 0 369.465 4.107 20 5 FIBDRO CC(C)[N@@H+]1CCC[C@H](CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000491035727 1114364351 /nfs/dbraw/zinc/36/43/51/1114364351.db2.gz JZWOKVIHYALPEA-XMSQKQJNSA-N 1 0 367.493 4.394 20 5 FIBDRO CC[N@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000491083086 1114365924 /nfs/dbraw/zinc/36/59/24/1114365924.db2.gz FSJUBEZIIDVPMH-LBPRGKRZSA-N 1 0 360.401 4.114 20 5 FIBDRO COc1cc(C[N@H+](CC(C)C)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491094025 1114372436 /nfs/dbraw/zinc/37/24/36/1114372436.db2.gz XERYHMUWHVRSNP-UHFFFAOYSA-N 1 0 360.401 4.114 20 5 FIBDRO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000055152033 1114421480 /nfs/dbraw/zinc/42/14/80/1114421480.db2.gz KCOYWIPSCGFSDR-LSDHHAIUSA-N 1 0 371.437 4.060 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000571178376 1114437520 /nfs/dbraw/zinc/43/75/20/1114437520.db2.gz BMDSKMKVGFZOTF-PBEJRMEISA-N 1 0 352.434 4.340 20 5 FIBDRO CC(=O)c1cc(NCC2CC[NH+](Cc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000587593657 1114471811 /nfs/dbraw/zinc/47/18/11/1114471811.db2.gz IHSULCALLBTFLY-UHFFFAOYSA-N 1 0 373.478 4.183 20 5 FIBDRO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(Cl)c1 ZINC000129684339 1114838574 /nfs/dbraw/zinc/83/85/74/1114838574.db2.gz JITJHGOYJNZAMT-LLVKDONJSA-N 1 0 365.792 4.067 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000165629192 1114855556 /nfs/dbraw/zinc/85/55/56/1114855556.db2.gz PUXPTQPTUVWKAY-LJQANCHMSA-N 1 0 371.412 4.208 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000590195998 1114906359 /nfs/dbraw/zinc/90/63/59/1114906359.db2.gz VJHKZVMIZYVSLP-INIZCTEOSA-N 1 0 372.440 4.485 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000057555215 1114949369 /nfs/dbraw/zinc/94/93/69/1114949369.db2.gz KAOXWIWKBMVVBN-CABCVRRESA-N 1 0 363.417 4.426 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590599966 1114952359 /nfs/dbraw/zinc/95/23/59/1114952359.db2.gz HSHJYEKTHYESHK-MRXNPFEDSA-N 1 0 355.438 4.157 20 5 FIBDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000590615058 1114953650 /nfs/dbraw/zinc/95/36/50/1114953650.db2.gz OXPKSQNQPRIOAV-GOSISDBHSA-N 1 0 361.829 4.174 20 5 FIBDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591348046 1115068206 /nfs/dbraw/zinc/06/82/06/1115068206.db2.gz YCPMHGRILGSIQP-WOJBJXKFSA-N 1 0 368.433 4.484 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000760906547 1115169553 /nfs/dbraw/zinc/16/95/53/1115169553.db2.gz IZUMNMOFMYRGEA-FEPNQTLGSA-N 1 0 368.477 4.336 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000760909318 1115171237 /nfs/dbraw/zinc/17/12/37/1115171237.db2.gz QTCGXXHWBGNFBH-AFJQURTJSA-N 1 0 354.450 4.384 20 5 FIBDRO CC(=O)Nc1ccc(-c2cccc(C[N@H+]3CCC[C@H]3C)c2)cc1[N+](=O)[O-] ZINC000592986412 1115278607 /nfs/dbraw/zinc/27/86/07/1115278607.db2.gz NFGRHCCEOGFIIJ-CQSZACIVSA-N 1 0 353.422 4.205 20 5 FIBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1F ZINC000593064743 1115279868 /nfs/dbraw/zinc/27/98/68/1115279868.db2.gz OCNBDHWTICBOTH-KRWDZBQOSA-N 1 0 359.401 4.112 20 5 FIBDRO COCCCOc1cc(C)ccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574053407 1115288001 /nfs/dbraw/zinc/28/80/01/1115288001.db2.gz KTONHTGKKYHIGV-IBGZPJMESA-N 1 0 370.449 4.096 20 5 FIBDRO CCC[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000592397553 1115299323 /nfs/dbraw/zinc/29/93/23/1115299323.db2.gz NPBMGRTXHRILFX-MISYRCLQSA-N 1 0 355.438 4.341 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H](C3CC3)C3CCOCC3)cs2)c1 ZINC000593668308 1115338102 /nfs/dbraw/zinc/33/81/02/1115338102.db2.gz JAXOWQRSLBJCNJ-SFHVURJKSA-N 1 0 373.478 4.013 20 5 FIBDRO CCc1ccc([C@@H]([NH2+][C@@H](C)Cc2ccccn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000594513631 1115457807 /nfs/dbraw/zinc/45/78/07/1115457807.db2.gz DXJASLCRXJCZII-BTYIYWSLSA-N 1 0 365.433 4.455 20 5 FIBDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000594519093 1115458228 /nfs/dbraw/zinc/45/82/28/1115458228.db2.gz TXQPGHHLKQCQGC-SAZUREKKSA-N 1 0 361.467 4.154 20 5 FIBDRO COC1CC(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000594967800 1115499135 /nfs/dbraw/zinc/49/91/35/1115499135.db2.gz VPRJDDDMXRAEOX-UHFFFAOYSA-N 1 0 364.829 4.413 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)c(F)c1 ZINC000594956900 1115502467 /nfs/dbraw/zinc/50/24/67/1115502467.db2.gz XESMBXGUCVMCFY-CYBMUJFWSA-N 1 0 363.820 4.003 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000595015501 1115504160 /nfs/dbraw/zinc/50/41/60/1115504160.db2.gz YSFKFIAFZGXHHI-GJZGRUSLSA-N 1 0 366.421 4.201 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)c2ccccc2n1 ZINC000595023563 1115505071 /nfs/dbraw/zinc/50/50/71/1115505071.db2.gz CZGDTBSMLYVQPZ-CYBMUJFWSA-N 1 0 367.405 4.011 20 5 FIBDRO COc1ccc([C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C2CC2)cc1 ZINC000595002958 1115506568 /nfs/dbraw/zinc/50/65/68/1115506568.db2.gz COQFJNDCWIDMOJ-RNODOKPDSA-N 1 0 356.422 4.414 20 5 FIBDRO COc1ccc([C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C2CC2)cc1 ZINC000595002960 1115506592 /nfs/dbraw/zinc/50/65/92/1115506592.db2.gz COQFJNDCWIDMOJ-ZUOKHONESA-N 1 0 356.422 4.414 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000595009732 1115508067 /nfs/dbraw/zinc/50/80/67/1115508067.db2.gz VRSLXBRPKHIJHP-LLVKDONJSA-N 1 0 365.227 4.217 20 5 FIBDRO COC[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cccc(OC)c1 ZINC000595066618 1115509478 /nfs/dbraw/zinc/50/94/78/1115509478.db2.gz IXDSPCFFAMZMPJ-WOJBJXKFSA-N 1 0 370.449 4.303 20 5 FIBDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595027823 1115510152 /nfs/dbraw/zinc/51/01/52/1115510152.db2.gz TYYJIVZTAYULAW-LRDNONRASA-N 1 0 374.437 4.039 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000595037333 1115510494 /nfs/dbraw/zinc/51/04/94/1115510494.db2.gz DZZOGEYHUBJFFY-VNBZBWLYSA-N 1 0 362.451 4.018 20 5 FIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(C(F)F)nc1 ZINC000595049318 1115512039 /nfs/dbraw/zinc/51/20/39/1115512039.db2.gz IAJJGPQTEZJNKZ-NSHDSACASA-N 1 0 360.364 4.302 20 5 FIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(C(F)F)nc1 ZINC000595049317 1115512128 /nfs/dbraw/zinc/51/21/28/1115512128.db2.gz IAJJGPQTEZJNKZ-LLVKDONJSA-N 1 0 360.364 4.302 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCCN(C)c2ccccc21 ZINC000595052631 1115512765 /nfs/dbraw/zinc/51/27/65/1115512765.db2.gz SIAIBJTXRBUTKA-KDOFPFPSSA-N 1 0 355.438 4.225 20 5 FIBDRO COc1cccc(C2([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3OC)CCC2)c1 ZINC000595092995 1115517576 /nfs/dbraw/zinc/51/75/76/1115517576.db2.gz DBAYIPLSOXJSFG-AWEZNQCLSA-N 1 0 356.422 4.342 20 5 FIBDRO Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595097830 1115518059 /nfs/dbraw/zinc/51/80/59/1115518059.db2.gz KTHBYFHKYAZZIN-LPHOPBHVSA-N 1 0 368.481 4.097 20 5 FIBDRO CCN(Cc1onc(C)c1[N+](=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000595296783 1115521089 /nfs/dbraw/zinc/52/10/89/1115521089.db2.gz KHZYEFOEFOSDCW-LLVKDONJSA-N 1 0 357.332 4.493 20 5 FIBDRO Cc1cc(N2CCC[C@@H]([C@H]3CCCCO3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596506746 1115595716 /nfs/dbraw/zinc/59/57/16/1115595716.db2.gz SWBPYOXLTHENHT-FOIQADDNSA-N 1 0 355.438 4.237 20 5 FIBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000599016619 1115779206 /nfs/dbraw/zinc/77/92/06/1115779206.db2.gz LHOSXUQXGXYHLQ-KDYLLFBJSA-N 1 0 360.385 4.041 20 5 FIBDRO C[NH+](C)C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000599172070 1115796530 /nfs/dbraw/zinc/79/65/30/1115796530.db2.gz JYUZXCFRTNVJDU-AWEZNQCLSA-N 1 0 355.225 4.011 20 5 FIBDRO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000593689961 1115796697 /nfs/dbraw/zinc/79/66/97/1115796697.db2.gz KENXHICCHRXVTE-OALUTQOASA-N 1 0 368.433 4.255 20 5 FIBDRO COc1cccc([C@H](CNc2ccc([N+](=O)[O-])c(C)c2)[NH+]2CCCC2)c1 ZINC000603838306 1115818206 /nfs/dbraw/zinc/81/82/06/1115818206.db2.gz CNUSVQUOYCETON-FQEVSTJZSA-N 1 0 355.438 4.161 20 5 FIBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc2ccccc21 ZINC000603892047 1115826796 /nfs/dbraw/zinc/82/67/96/1115826796.db2.gz ZVPGAGZUPBTARH-OAHLLOKOSA-N 1 0 363.417 4.207 20 5 FIBDRO CC1CCC([N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2CC2)CC1 ZINC000603895584 1115827203 /nfs/dbraw/zinc/82/72/03/1115827203.db2.gz VPTSZZJEABWVOW-UHFFFAOYSA-N 1 0 356.426 4.188 20 5 FIBDRO Cc1cccc([C@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C(C)C)c1 ZINC000599626327 1115832135 /nfs/dbraw/zinc/83/21/35/1115832135.db2.gz CXZCIYRZHVYZOQ-LJQANCHMSA-N 1 0 355.438 4.137 20 5 FIBDRO C[C@H](c1ccc2ccccc2c1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000604083946 1115847058 /nfs/dbraw/zinc/84/70/58/1115847058.db2.gz OKFUNCRFZGILOK-MRXNPFEDSA-N 1 0 362.433 4.026 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000604470424 1115865900 /nfs/dbraw/zinc/86/59/00/1115865900.db2.gz XATBDZFSXHBVHS-OAHLLOKOSA-N 1 0 367.449 4.387 20 5 FIBDRO CCC[C@H](C)[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000604475536 1115866371 /nfs/dbraw/zinc/86/63/71/1115866371.db2.gz KTXSZJFZFRVVBB-HNNXBMFYSA-N 1 0 358.438 4.461 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(C[NH+]2CCCCC2)CC1 ZINC000604482932 1115866502 /nfs/dbraw/zinc/86/65/02/1115866502.db2.gz SHUGGORWTMAGLG-UHFFFAOYSA-N 1 0 371.403 4.316 20 5 FIBDRO Cc1ccc(CCC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000604478857 1115866505 /nfs/dbraw/zinc/86/65/05/1115866505.db2.gz ZQMVONHPFSXVDE-KRWDZBQOSA-N 1 0 369.465 4.151 20 5 FIBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521217 1115867033 /nfs/dbraw/zinc/86/70/33/1115867033.db2.gz COUNAAVZKVLLTD-NQIIRXRSSA-N 1 0 370.449 4.073 20 5 FIBDRO CC[C@@H](c1ccccc1)[N@H+](CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000604493273 1115867567 /nfs/dbraw/zinc/86/75/67/1115867567.db2.gz BKGRHGXZROFUFL-KRWDZBQOSA-N 1 0 355.438 4.315 20 5 FIBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cnc(F)c(C)c1 ZINC001212190387 1115881698 /nfs/dbraw/zinc/88/16/98/1115881698.db2.gz BJRNLZGKVYQOEB-UHFFFAOYSA-N 1 0 362.408 4.087 20 5 FIBDRO O=[N+]([O-])c1sccc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000063256453 1116031808 /nfs/dbraw/zinc/03/18/08/1116031808.db2.gz CNQXKABDHIDVKY-UHFFFAOYSA-N 1 0 353.447 4.132 20 5 FIBDRO O=[N+]([O-])c1cccc(COc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000063457321 1116070063 /nfs/dbraw/zinc/07/00/63/1116070063.db2.gz IOHROURWMOROGX-UHFFFAOYSA-N 1 0 356.422 4.039 20 5 FIBDRO CN(CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1 ZINC000608836780 1116130920 /nfs/dbraw/zinc/13/09/20/1116130920.db2.gz OOBOSTNMHKZXEB-UHFFFAOYSA-N 1 0 365.433 4.076 20 5 FIBDRO CN(C)[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000608835481 1116131035 /nfs/dbraw/zinc/13/10/35/1116131035.db2.gz LSTLJUMXGVWDBI-HXUWFJFHSA-N 1 0 365.433 4.247 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)cc1 ZINC000608836586 1116131053 /nfs/dbraw/zinc/13/10/53/1116131053.db2.gz WDZJRCBPPJHXQY-UHFFFAOYSA-N 1 0 365.216 4.467 20 5 FIBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCC[C@@H](C)C1 ZINC000608836402 1116131244 /nfs/dbraw/zinc/13/12/44/1116131244.db2.gz WCGZRJZXIXSHGS-HZPDHXFCSA-N 1 0 357.454 4.065 20 5 FIBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C)CC1 ZINC000608836960 1116131559 /nfs/dbraw/zinc/13/15/59/1116131559.db2.gz DEHAIMKAGULQKB-MRXNPFEDSA-N 1 0 357.454 4.065 20 5 FIBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc21 ZINC000456283432 1116176810 /nfs/dbraw/zinc/17/68/10/1116176810.db2.gz SRTDOFMMACVBDK-KRWDZBQOSA-N 1 0 359.813 4.049 20 5 FIBDRO Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000152665294 1116181222 /nfs/dbraw/zinc/18/12/22/1116181222.db2.gz UMNZMYRBTRIJTN-CYBMUJFWSA-N 1 0 361.829 4.236 20 5 FIBDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594496646 1116203358 /nfs/dbraw/zinc/20/33/58/1116203358.db2.gz QEIZNYIRCLSUSF-VLIAUNLRSA-N 1 0 362.433 4.427 20 5 FIBDRO C[C@@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000491228785 1116226125 /nfs/dbraw/zinc/22/61/25/1116226125.db2.gz SHXZGAFUMYAYMG-APWZRJJASA-N 1 0 371.456 4.219 20 5 FIBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)(C)c1ccccc1 ZINC000539422768 1116334889 /nfs/dbraw/zinc/33/48/89/1116334889.db2.gz AGFOELGJHQZEAU-LJQANCHMSA-N 1 0 369.465 4.188 20 5 FIBDRO CO[C@@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000443075204 1116343797 /nfs/dbraw/zinc/34/37/97/1116343797.db2.gz ZEEULPWEPKMUPR-VQIMIIECSA-N 1 0 369.465 4.362 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)o1 ZINC000539897044 1117739977 /nfs/dbraw/zinc/73/99/77/1117739977.db2.gz XWYSYPLQAJPZBQ-JKSUJKDBSA-N 1 0 356.422 4.103 20 5 FIBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000462786829 1117771137 /nfs/dbraw/zinc/77/11/37/1117771137.db2.gz CKDGUKIPQHRYBM-OKILXGFUSA-N 1 0 371.428 4.366 20 5 FIBDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000462807375 1117788885 /nfs/dbraw/zinc/78/88/85/1117788885.db2.gz RTLPYBNSBMFPFI-KXBFYZLASA-N 1 0 357.429 4.301 20 5 FIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000539992827 1117790569 /nfs/dbraw/zinc/79/05/69/1117790569.db2.gz HGXXDADKQXZLID-NFAWXSAZSA-N 1 0 369.412 4.038 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000462826991 1117798849 /nfs/dbraw/zinc/79/88/49/1117798849.db2.gz RWCWCBLQUURQSN-OQLLNIDSSA-N 1 0 350.418 4.251 20 5 FIBDRO COc1ccc(OC)c(CCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000540147855 1117898586 /nfs/dbraw/zinc/89/85/86/1117898586.db2.gz YHADOFXRLCJZIV-OAHLLOKOSA-N 1 0 358.438 4.204 20 5 FIBDRO CC(C)(C)c1nnc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000540158017 1117902182 /nfs/dbraw/zinc/90/21/82/1117902182.db2.gz RFAAITYTWWLHKA-ZFWWWQNUSA-N 1 0 374.510 4.245 20 5 FIBDRO COC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000540150957 1117905517 /nfs/dbraw/zinc/90/55/17/1117905517.db2.gz KBIADDHJNZGJSW-QGZVFWFLSA-N 1 0 368.355 4.133 20 5 FIBDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000540328221 1117993840 /nfs/dbraw/zinc/99/38/40/1117993840.db2.gz NDUJOZVTNRJWEK-HNNXBMFYSA-N 1 0 371.437 4.061 20 5 FIBDRO CCOc1ccccc1[C@@H](CC)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000540351256 1117996121 /nfs/dbraw/zinc/99/61/21/1117996121.db2.gz GUCIXYZOGPYUSF-GOSISDBHSA-N 1 0 371.437 4.063 20 5 FIBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000540345407 1118003445 /nfs/dbraw/zinc/00/34/45/1118003445.db2.gz KQHAHQKZIFFARG-GFCCVEGCSA-N 1 0 365.227 4.087 20 5 FIBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000463189539 1118006854 /nfs/dbraw/zinc/00/68/54/1118006854.db2.gz ATIASSCSAWWBQR-VOQHCJDSSA-N 1 0 368.424 4.025 20 5 FIBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccc2)c1 ZINC000540376226 1118011130 /nfs/dbraw/zinc/01/11/30/1118011130.db2.gz KPAWIKOMHPANQG-LJQANCHMSA-N 1 0 370.840 4.018 20 5 FIBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(C)cc1 ZINC000540359434 1118013192 /nfs/dbraw/zinc/01/31/92/1118013192.db2.gz BHVREBQGPOGQST-SFHVURJKSA-N 1 0 355.438 4.281 20 5 FIBDRO Cc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1C ZINC000540386223 1118021237 /nfs/dbraw/zinc/02/12/37/1118021237.db2.gz PZFFFGMTHXJMPF-MRXNPFEDSA-N 1 0 355.438 4.199 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000540388498 1118023659 /nfs/dbraw/zinc/02/36/59/1118023659.db2.gz QOMXAZNKPWYYBU-UWJYYQICSA-N 1 0 370.449 4.249 20 5 FIBDRO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1-c1ccc(Cl)cc1 ZINC000540415150 1118041393 /nfs/dbraw/zinc/04/13/93/1118041393.db2.gz VTDDZIAHCCXOQI-CYBMUJFWSA-N 1 0 370.840 4.500 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000540468078 1118083330 /nfs/dbraw/zinc/08/33/30/1118083330.db2.gz HXDNJABSKBIWCX-DTTOXWODSA-N 1 0 362.495 4.013 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H]3CCCCC34CCCC4)n2)cc1 ZINC000463439169 1118145814 /nfs/dbraw/zinc/14/58/14/1118145814.db2.gz IAZGYUQSOWNCOA-MRXNPFEDSA-N 1 0 356.426 4.237 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CCc2nc(-c3ccccn3)cs2)cc1[N+](=O)[O-] ZINC000090044326 1118221754 /nfs/dbraw/zinc/22/17/54/1118221754.db2.gz GTTNSFNUQSMVQN-AWEZNQCLSA-N 1 0 368.462 4.315 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c(Cl)c1 ZINC000541538791 1118546924 /nfs/dbraw/zinc/54/69/24/1118546924.db2.gz XHTCLAGFRJWMSY-KRWDZBQOSA-N 1 0 363.845 4.158 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)c([N+](=O)[O-])cc1F ZINC000464485440 1118579835 /nfs/dbraw/zinc/57/98/35/1118579835.db2.gz FUGHWFXEDBIMOX-ZDUSSCGKSA-N 1 0 358.413 4.472 20 5 FIBDRO COc1ccc(OCC[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)c([N+](=O)[O-])c1 ZINC000464727294 1118674330 /nfs/dbraw/zinc/67/43/30/1118674330.db2.gz VFZXZPRKYLSQRZ-RDTXWAMCSA-N 1 0 374.412 4.204 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCSc3ccccc3)CC2)cc1 ZINC000464784049 1118694051 /nfs/dbraw/zinc/69/40/51/1118694051.db2.gz UHDLLMSYMRNTOP-UHFFFAOYSA-N 1 0 358.463 4.230 20 5 FIBDRO COc1c(Br)cccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090230180 1118759156 /nfs/dbraw/zinc/75/91/56/1118759156.db2.gz HDKOKXANQJGIPB-LLVKDONJSA-N 1 0 365.227 4.217 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2CCOC2)ccc1Oc1ccc(F)cc1 ZINC000542299538 1118889182 /nfs/dbraw/zinc/88/91/82/1118889182.db2.gz GSYSHCPIDPAMKR-AWEZNQCLSA-N 1 0 360.385 4.042 20 5 FIBDRO Cc1cccc(C)c1NC(=O)CCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271813389 1118923409 /nfs/dbraw/zinc/92/34/09/1118923409.db2.gz YVFPWIIOSRFYQA-INIZCTEOSA-N 1 0 355.438 4.281 20 5 FIBDRO Cc1nc(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cs1 ZINC000491367555 1118937327 /nfs/dbraw/zinc/93/73/27/1118937327.db2.gz NBHOHAUEWSRHQZ-LJQANCHMSA-N 1 0 353.447 4.281 20 5 FIBDRO COc1ccc(C[NH2+]C2(C(C)C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000549869619 1118952980 /nfs/dbraw/zinc/95/29/80/1118952980.db2.gz GXHLKAUAHUUXNC-UHFFFAOYSA-N 1 0 370.449 4.461 20 5 FIBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc2ccccc2c2cccnc12 ZINC000172841689 1118983066 /nfs/dbraw/zinc/98/30/66/1118983066.db2.gz XZELXXQQAYWHGF-GOSISDBHSA-N 1 0 361.489 4.334 20 5 FIBDRO CCOc1cc(C[N@H+](CC)Cc2ccc(OC)c(OC)c2)ccc1[N+](=O)[O-] ZINC000492415903 1119086116 /nfs/dbraw/zinc/08/61/16/1119086116.db2.gz IDDCHGODOCUYHR-UHFFFAOYSA-N 1 0 374.437 4.033 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cc1Cl ZINC000761527286 1119409878 /nfs/dbraw/zinc/40/98/78/1119409878.db2.gz RPVUMKCSOAMLBM-UHFFFAOYSA-N 1 0 364.804 4.183 20 5 FIBDRO COC1CCC(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000493308524 1119443004 /nfs/dbraw/zinc/44/30/04/1119443004.db2.gz ZDXSHANUMAUBFQ-LFNLJPBCSA-N 1 0 354.450 4.479 20 5 FIBDRO Cc1nc(-c2cccc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)c2)[nH]c1C ZINC000761597300 1119651748 /nfs/dbraw/zinc/65/17/48/1119651748.db2.gz ABGQDFCLPGDCSC-LBPRGKRZSA-N 1 0 364.405 4.344 20 5 FIBDRO COc1cccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000494468360 1119870420 /nfs/dbraw/zinc/87/04/20/1119870420.db2.gz SJHDTCRAPGGCMO-NSHDSACASA-N 1 0 354.328 4.473 20 5 FIBDRO C[C@@H]1C[C@@H](CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000542489151 1119971807 /nfs/dbraw/zinc/97/18/07/1119971807.db2.gz WXLVIEBRCDTFOH-WWMYMODYSA-N 1 0 354.450 4.479 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000494942205 1120391918 /nfs/dbraw/zinc/39/19/18/1120391918.db2.gz PYQGQDRKUACZSP-KUHUBIRLSA-N 1 0 374.412 4.000 20 5 FIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000494956276 1120394329 /nfs/dbraw/zinc/39/43/29/1120394329.db2.gz UCGDFBYMFMCUAM-DNVCBOLYSA-N 1 0 358.413 4.034 20 5 FIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000494996003 1120422416 /nfs/dbraw/zinc/42/24/16/1120422416.db2.gz HHLAYMYRHLITRO-KBPBESRZSA-N 1 0 369.412 4.117 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000495158806 1120516340 /nfs/dbraw/zinc/51/63/40/1120516340.db2.gz QFLSJGYINOTQKC-IEBWSBKVSA-N 1 0 369.465 4.003 20 5 FIBDRO CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000495239679 1120565135 /nfs/dbraw/zinc/56/51/35/1120565135.db2.gz AXLZFRQQQMTMIL-LBPRGKRZSA-N 1 0 352.431 4.257 20 5 FIBDRO CC(C)(C)Oc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000193273712 1120640792 /nfs/dbraw/zinc/64/07/92/1120640792.db2.gz AMXOFHGHWKYEHG-SFHVURJKSA-N 1 0 355.438 4.334 20 5 FIBDRO COc1ccc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(F)c1 ZINC000495425908 1120802170 /nfs/dbraw/zinc/80/21/70/1120802170.db2.gz HFKKRKIISAINND-LLVKDONJSA-N 1 0 352.793 4.289 20 5 FIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000495438018 1120823193 /nfs/dbraw/zinc/82/31/93/1120823193.db2.gz FVOHLYCADJDCJV-CQSZACIVSA-N 1 0 370.840 4.327 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2nc(CC)c(C)s2)cc1[N+](=O)[O-] ZINC000153491569 1120839851 /nfs/dbraw/zinc/83/98/51/1120839851.db2.gz YLLBNFULLUBVSS-GFCCVEGCSA-N 1 0 363.483 4.214 20 5 FIBDRO Cc1cc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1[N+](=O)[O-] ZINC000153615937 1120949776 /nfs/dbraw/zinc/94/97/76/1120949776.db2.gz GGTLVLNEOCIGLP-QGZVFWFLSA-N 1 0 374.485 4.023 20 5 FIBDRO C[C@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCc2sccc2C1 ZINC000301081253 1120974913 /nfs/dbraw/zinc/97/49/13/1120974913.db2.gz GMXJUIZYRNADHY-CYBMUJFWSA-N 1 0 368.462 4.063 20 5 FIBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c2ncccc12 ZINC000301083959 1120987972 /nfs/dbraw/zinc/98/79/72/1120987972.db2.gz PEWIDXAUDJXNLV-KRWDZBQOSA-N 1 0 368.462 4.454 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3Cc4ccccc43)o2)c([N+](=O)[O-])c1 ZINC000609222402 1120997798 /nfs/dbraw/zinc/99/77/98/1120997798.db2.gz HNZPEPISBOAWBV-HNNXBMFYSA-N 1 0 364.401 4.293 20 5 FIBDRO CC1CCC([N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2CC2)CC1 ZINC000076745990 1121071432 /nfs/dbraw/zinc/07/14/32/1121071432.db2.gz SKGLZANUCGJOSY-UHFFFAOYSA-N 1 0 356.426 4.188 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cccn2)cc1[N+](=O)[O-] ZINC000153364983 1121261490 /nfs/dbraw/zinc/26/14/90/1121261490.db2.gz LSXLYTFDMIVCAM-OAHLLOKOSA-N 1 0 366.421 4.030 20 5 FIBDRO C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cc2ccccc2o1 ZINC000130441318 1121278585 /nfs/dbraw/zinc/27/85/85/1121278585.db2.gz WNHQFRGWRUNXRD-LBPRGKRZSA-N 1 0 371.368 4.160 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000194452982 1121291552 /nfs/dbraw/zinc/29/15/52/1121291552.db2.gz ZEPUAAYJZYUNIE-UHFFFAOYSA-N 1 0 367.449 4.387 20 5 FIBDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000552875479 1121340864 /nfs/dbraw/zinc/34/08/64/1121340864.db2.gz VSCVCXQQDJEUQG-SJCJKPOMSA-N 1 0 364.829 4.413 20 5 FIBDRO CC(=O)c1ccc(NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000488065445 1121358558 /nfs/dbraw/zinc/35/85/58/1121358558.db2.gz KTMLNCJUQQDKBY-AWEZNQCLSA-N 1 0 355.438 4.339 20 5 FIBDRO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000916146965 1121428346 /nfs/dbraw/zinc/42/83/46/1121428346.db2.gz CTORZXUGMXIFFO-UHFFFAOYSA-N 1 0 361.829 4.099 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1ccc(C(=O)OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000090797715 1121549491 /nfs/dbraw/zinc/54/94/91/1121549491.db2.gz HXQULTIVWIKLRG-GOSISDBHSA-N 1 0 372.421 4.021 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC)c2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000154065256 1121551580 /nfs/dbraw/zinc/55/15/80/1121551580.db2.gz NQMIEPFPMYPVPF-BLLLJJGKSA-N 1 0 360.458 4.146 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000301453642 1121973078 /nfs/dbraw/zinc/97/30/78/1121973078.db2.gz VNMURLJGTQJEOZ-UHFFFAOYSA-N 1 0 369.465 4.126 20 5 FIBDRO C[NH+](C)CC1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000917081668 1122097707 /nfs/dbraw/zinc/09/77/07/1122097707.db2.gz DMMKBNXXVGVIPU-UHFFFAOYSA-N 1 0 365.783 4.045 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCCCc2nc(C)cs2)cc1[N+](=O)[O-] ZINC000153530410 1122121174 /nfs/dbraw/zinc/12/11/74/1122121174.db2.gz LPQVMZOTAMBZOQ-AWEZNQCLSA-N 1 0 363.483 4.432 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000301510028 1122193185 /nfs/dbraw/zinc/19/31/85/1122193185.db2.gz DXNNHVSAUJQYRD-OXJNMPFZSA-N 1 0 369.465 4.064 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2cccs2)cc1[N+](=O)[O-] ZINC000154298615 1122204506 /nfs/dbraw/zinc/20/45/06/1122204506.db2.gz IWTISKPMVVADQF-XEZPLFJOSA-N 1 0 364.467 4.218 20 5 FIBDRO CC(=O)c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000301597022 1122230396 /nfs/dbraw/zinc/23/03/96/1122230396.db2.gz SQPYLYDHCRMHGV-DNVCBOLYSA-N 1 0 367.449 4.120 20 5 FIBDRO CC[C@@H](C)[N@@H+](Cc1ccccc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000917455593 1122320718 /nfs/dbraw/zinc/32/07/18/1122320718.db2.gz YTHHUFJUVPJRPQ-MRXNPFEDSA-N 1 0 365.437 4.112 20 5 FIBDRO CC(C)(CO)[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000556078150 1122640449 /nfs/dbraw/zinc/64/04/49/1122640449.db2.gz BPECLYUMWWUPLJ-RTWAWAEBSA-N 1 0 368.477 4.364 20 5 FIBDRO COc1ccncc1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000556883134 1123158882 /nfs/dbraw/zinc/15/88/82/1123158882.db2.gz QSCFRGPIMLCFNP-UHFFFAOYSA-N 1 0 355.419 4.017 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(c3ccccn3)CCC2)cc1[N+](=O)[O-] ZINC000556923515 1123232990 /nfs/dbraw/zinc/23/29/90/1123232990.db2.gz KJCFOSQJZGHEFL-OAHLLOKOSA-N 1 0 355.438 4.161 20 5 FIBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cn1cnc2cc(F)c(F)cc21 ZINC000919950725 1123279456 /nfs/dbraw/zinc/27/94/56/1123279456.db2.gz QYVVAIKKEKZNDN-UHFFFAOYSA-N 1 0 360.364 4.091 20 5 FIBDRO O=[N+]([O-])c1c(F)cccc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000919963287 1123288241 /nfs/dbraw/zinc/28/82/41/1123288241.db2.gz XAEAIIIBKBGSJV-UHFFFAOYSA-N 1 0 363.820 4.100 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000499249690 1123359168 /nfs/dbraw/zinc/35/91/68/1123359168.db2.gz VFTXKNGJIVHZSR-GJZGRUSLSA-N 1 0 367.449 4.151 20 5 FIBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000609432182 1123712603 /nfs/dbraw/zinc/71/26/03/1123712603.db2.gz QLCURHQTSXURHK-HNNXBMFYSA-N 1 0 358.438 4.065 20 5 FIBDRO Cc1c(NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cccc1[N+](=O)[O-] ZINC000609451553 1123717826 /nfs/dbraw/zinc/71/78/26/1123717826.db2.gz GLBCDRCXKZVRDP-QGZVFWFLSA-N 1 0 374.485 4.069 20 5 FIBDRO CC(C)C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000609549842 1123754866 /nfs/dbraw/zinc/75/48/66/1123754866.db2.gz BKRJYMZXTSKJOV-AEFFLSMTSA-N 1 0 369.465 4.090 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]CC3CCSCC3)o2)c([N+](=O)[O-])c1 ZINC000609600808 1123765273 /nfs/dbraw/zinc/76/52/73/1123765273.db2.gz WVBTZTAQGWGTJO-UHFFFAOYSA-N 1 0 362.451 4.096 20 5 FIBDRO CC[C@@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000609625696 1123773682 /nfs/dbraw/zinc/77/36/82/1123773682.db2.gz PBGDEOTZNFSXNI-LJQANCHMSA-N 1 0 367.449 4.241 20 5 FIBDRO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609705248 1123803293 /nfs/dbraw/zinc/80/32/93/1123803293.db2.gz LUDDTWXPIVNZIM-QGZVFWFLSA-N 1 0 360.841 4.464 20 5 FIBDRO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000609705230 1123803565 /nfs/dbraw/zinc/80/35/65/1123803565.db2.gz ISJDNCABOJZHLH-QGZVFWFLSA-N 1 0 360.841 4.464 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(C)(C)O ZINC000609707810 1123804637 /nfs/dbraw/zinc/80/46/37/1123804637.db2.gz CWRDTWQLRLREMF-GFCCVEGCSA-N 1 0 364.829 4.290 20 5 FIBDRO CCC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000610133379 1123950060 /nfs/dbraw/zinc/95/00/60/1123950060.db2.gz LSIDWHKNGZJGKI-DJIMGWMZSA-N 1 0 352.862 4.274 20 5 FIBDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@H]2CCO[C@H]21 ZINC000610162146 1123952616 /nfs/dbraw/zinc/95/26/16/1123952616.db2.gz AUYNPDHXDDGEHJ-KBAYOESNSA-N 1 0 358.463 4.226 20 5 FIBDRO C[C@@](CO)([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccccc1 ZINC000237655009 1124010118 /nfs/dbraw/zinc/01/01/18/1124010118.db2.gz XQHFCOQOCUJCTC-FQEVSTJZSA-N 1 0 368.458 4.321 20 5 FIBDRO CCCCN(C(=O)c1cccc([N+](=O)[O-])c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000068225332 1124126015 /nfs/dbraw/zinc/12/60/15/1124126015.db2.gz FBKJMCHRQCLGOX-UHFFFAOYSA-N 1 0 361.486 4.146 20 5 FIBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000615834555 1124127595 /nfs/dbraw/zinc/12/75/95/1124127595.db2.gz ODFUOJQMOZWTMX-WBILKINKSA-N 1 0 360.454 4.053 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCOC2)ccc1Oc1ccc(F)cc1 ZINC000237881502 1124152421 /nfs/dbraw/zinc/15/24/21/1124152421.db2.gz JUXJPRQGLVSDRD-OAHLLOKOSA-N 1 0 360.385 4.042 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCOCC(F)(F)F)c2ccccc2)c1 ZINC000180089571 1124228499 /nfs/dbraw/zinc/22/84/99/1124228499.db2.gz RIYHKOWXLDMROP-KRWDZBQOSA-N 1 0 368.355 4.243 20 5 FIBDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180692574 1124404845 /nfs/dbraw/zinc/40/48/45/1124404845.db2.gz KIVZKSDGFQNFNT-IAGOWNOFSA-N 1 0 368.355 4.388 20 5 FIBDRO C[C@H]1CC[C@@]2(CC[N@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000542853565 1124467066 /nfs/dbraw/zinc/46/70/66/1124467066.db2.gz GCMNJFTXCYWSCT-MGPUTAFESA-N 1 0 354.454 4.007 20 5 FIBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000542927568 1124879367 /nfs/dbraw/zinc/87/93/67/1124879367.db2.gz MALLDPUIWJSNJV-KRWDZBQOSA-N 1 0 373.884 4.202 20 5 FIBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1C(F)(F)F ZINC000715721248 1125041791 /nfs/dbraw/zinc/04/17/91/1125041791.db2.gz KWWDCAAOVKCGTC-HNNXBMFYSA-N 1 0 365.355 4.300 20 5 FIBDRO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)c1ccccc1 ZINC000181773582 1125131852 /nfs/dbraw/zinc/13/18/52/1125131852.db2.gz ZNNRAZDMPSOPBM-CQSZACIVSA-N 1 0 366.421 4.101 20 5 FIBDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1C ZINC000181837612 1125154146 /nfs/dbraw/zinc/15/41/46/1125154146.db2.gz MOTXZMJUHPFAKF-ZDUSSCGKSA-N 1 0 361.467 4.179 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2noc(-c3ccc(C[NH+]4CCCCC4)cc3)n2)s1 ZINC000618411232 1125169420 /nfs/dbraw/zinc/16/94/20/1125169420.db2.gz IIUQFOSWPHIGIK-UHFFFAOYSA-N 1 0 370.434 4.359 20 5 FIBDRO COc1ccc(C[NH2+]Cc2ccoc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000069833097 1125172729 /nfs/dbraw/zinc/17/27/29/1125172729.db2.gz LVGPWYPHRFZYRE-UHFFFAOYSA-N 1 0 368.389 4.065 20 5 FIBDRO C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311547106 1125186160 /nfs/dbraw/zinc/18/61/60/1125186160.db2.gz OUOZAOGHOCYDRE-QAPCUYQASA-N 1 0 373.884 4.248 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C(F)(F)F ZINC000301776737 1125263939 /nfs/dbraw/zinc/26/39/39/1125263939.db2.gz LLQAUAVFXAEFDR-WBMJQRKESA-N 1 0 369.387 4.067 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(C)n1 ZINC000618798231 1125283219 /nfs/dbraw/zinc/28/32/19/1125283219.db2.gz APLFVYWHEUCIOL-LLVKDONJSA-N 1 0 353.344 4.476 20 5 FIBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000109407172 206056146 /nfs/dbraw/zinc/05/61/46/206056146.db2.gz BVZQDYOXHUBILL-QGZVFWFLSA-N 1 0 361.489 4.238 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1ccc2ccccc2n1)C1CC1 ZINC000481716435 568093806 /nfs/dbraw/zinc/09/38/06/568093806.db2.gz GSGWBNGVKZFJFY-NRFANRHFSA-N 1 0 361.445 4.296 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000568804220 568226771 /nfs/dbraw/zinc/22/67/71/568226771.db2.gz KVSBRPAZTNJWMO-WKOQKXSESA-N 1 0 364.445 4.292 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@@H]3CCOC3)cc2[N+](=O)[O-])cc1 ZINC000604419087 568276474 /nfs/dbraw/zinc/27/64/74/568276474.db2.gz BWGAUGKICZPYJU-INIZCTEOSA-N 1 0 358.463 4.181 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000569133824 568286814 /nfs/dbraw/zinc/28/68/14/568286814.db2.gz PQQJOXCYBSAJCX-IDJPSDCMSA-N 1 0 360.841 4.017 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000604564450 568316843 /nfs/dbraw/zinc/31/68/43/568316843.db2.gz YWDCPXCOKFXQKD-UHFFFAOYSA-N 1 0 371.412 4.040 20 5 FIBDRO Cc1cccc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000569386204 568400099 /nfs/dbraw/zinc/40/00/99/568400099.db2.gz WFRQKJITAOBGRX-WMZOPIPTSA-N 1 0 367.449 4.028 20 5 FIBDRO COc1ccc([C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C2CC2)cc1 ZINC000569647493 568411345 /nfs/dbraw/zinc/41/13/45/568411345.db2.gz OBXBXZGTQOHSJD-OAQYLSRUSA-N 1 0 365.433 4.368 20 5 FIBDRO C[NH+](C)CCN(Cc1ccco1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000570084466 568458081 /nfs/dbraw/zinc/45/80/81/568458081.db2.gz IODFRRDMGGZHAM-UHFFFAOYSA-N 1 0 369.421 4.012 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCC[C@H](c4cccnc4)C3)c2c1 ZINC000570599820 568490275 /nfs/dbraw/zinc/49/02/75/568490275.db2.gz WVSXIVQRQPAAGP-YJBOKZPZSA-N 1 0 364.449 4.330 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000182668986 1125595049 /nfs/dbraw/zinc/59/50/49/1125595049.db2.gz WEARSYBDFVFQOF-OAHLLOKOSA-N 1 0 362.813 4.260 20 5 FIBDRO O=C(Nc1ccccc1Nc1cc[nH+]cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000619581591 1125623497 /nfs/dbraw/zinc/62/34/97/1125623497.db2.gz JRXQUSFZGGIPMA-UHFFFAOYSA-N 1 0 368.780 4.061 20 5 FIBDRO C[C@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000182804687 1125629487 /nfs/dbraw/zinc/62/94/87/1125629487.db2.gz UKUUDRXORZPACC-HNNXBMFYSA-N 1 0 357.479 4.317 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000619722861 1125669929 /nfs/dbraw/zinc/66/99/29/1125669929.db2.gz HVUWWALHSVRWKM-OAHLLOKOSA-N 1 0 374.872 4.161 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)C1CC1 ZINC000579697388 1079551306 /nfs/dbraw/zinc/55/13/06/1079551306.db2.gz SIULHOFNORITKK-KCZVDYSFSA-N 1 0 366.461 4.426 20 5 FIBDRO C[C@H](CN1CCCCC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000608836375 1079663617 /nfs/dbraw/zinc/66/36/17/1079663617.db2.gz QYXHKRITAPYUCQ-OAHLLOKOSA-N 1 0 359.495 4.287 20 5 FIBDRO CC(C)[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)Nc1ccccc1 ZINC000577820886 1079782317 /nfs/dbraw/zinc/78/23/17/1079782317.db2.gz KUMLCKZKQQRDAL-GBESFXJTSA-N 1 0 371.485 4.001 20 5 FIBDRO CC[C@H]([NH2+]C[C@H]1CCN(c2cccc(OC)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157556114 1080013934 /nfs/dbraw/zinc/01/39/34/1080013934.db2.gz SNJIUOOAIYHLPW-IERDGZPVSA-N 1 0 369.465 4.171 20 5 FIBDRO Cc1c(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000157646450 1080050703 /nfs/dbraw/zinc/05/07/03/1080050703.db2.gz NXPABBGTCVAUAU-INIZCTEOSA-N 1 0 373.497 4.020 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000157669472 1080064874 /nfs/dbraw/zinc/06/48/74/1080064874.db2.gz XJQQBRAYNSJCKQ-QGZVFWFLSA-N 1 0 373.497 4.020 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000015171819 1080119803 /nfs/dbraw/zinc/11/98/03/1080119803.db2.gz JNMFXDIYJKGRPF-OAHLLOKOSA-N 1 0 369.343 4.456 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134450218 1080232319 /nfs/dbraw/zinc/23/23/19/1080232319.db2.gz JEQYOWLWROEZRE-GFCCVEGCSA-N 1 0 371.384 4.450 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC001167158357 1080763777 /nfs/dbraw/zinc/76/37/77/1080763777.db2.gz UBAWIRZNYZERJJ-UHFFFAOYSA-N 1 0 367.449 4.144 20 5 FIBDRO CCOc1cc(C[NH2+][C@@H](CC)c2ccc(OC)c(OC)c2)ccc1[N+](=O)[O-] ZINC000510242797 1080856991 /nfs/dbraw/zinc/85/69/91/1080856991.db2.gz QEHQUINHTRZOPP-INIZCTEOSA-N 1 0 374.437 4.252 20 5 FIBDRO COc1ccc(CCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000579904495 1080924388 /nfs/dbraw/zinc/92/43/88/1080924388.db2.gz RKHUIHRSNHZRKT-HNNXBMFYSA-N 1 0 358.438 4.204 20 5 FIBDRO CCS[C@H]1CCC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000176982723 1081176945 /nfs/dbraw/zinc/17/69/45/1081176945.db2.gz JBZXNOATNYUABS-WMZOPIPTSA-N 1 0 374.510 4.149 20 5 FIBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](C)c1cccc(OC)c1 ZINC000083175661 1081284878 /nfs/dbraw/zinc/28/48/78/1081284878.db2.gz GYKRUGVOEBPKAU-ZDUSSCGKSA-N 1 0 355.394 4.328 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(CN3CCSC[C@H]3c3ccccc3)nc2c1 ZINC000083174600 1081286428 /nfs/dbraw/zinc/28/64/28/1081286428.db2.gz APEDALNHFJRFNO-INIZCTEOSA-N 1 0 355.419 4.026 20 5 FIBDRO Cc1c(C[NH2+]C[C@@H](c2ccccc2)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC001648895533 1081352892 /nfs/dbraw/zinc/35/28/92/1081352892.db2.gz RYRSNRIQGPADLF-QFIPXVFZSA-N 1 0 367.493 4.466 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175827178 1081369241 /nfs/dbraw/zinc/36/92/41/1081369241.db2.gz VKBYHJYIYZLYSV-HOCLYGCPSA-N 1 0 366.870 4.398 20 5 FIBDRO COc1ccccc1[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001167331821 1081451670 /nfs/dbraw/zinc/45/16/70/1081451670.db2.gz ATXLVVNPLRXNLZ-LJQANCHMSA-N 1 0 356.422 4.209 20 5 FIBDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083199343 1081547771 /nfs/dbraw/zinc/54/77/71/1081547771.db2.gz JVORSEZERNLEFY-JSGCOSHPSA-N 1 0 355.369 4.253 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CCc2ccc(Cl)cc2)CC2CC2)c1 ZINC001167376299 1081812408 /nfs/dbraw/zinc/81/24/08/1081812408.db2.gz IQWCQTKDXRTBPT-FQEVSTJZSA-N 1 0 374.868 4.236 20 5 FIBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000536722922 1081919851 /nfs/dbraw/zinc/91/98/51/1081919851.db2.gz XEOJTKKKXUWXCZ-WBVHZDCISA-N 1 0 355.438 4.020 20 5 FIBDRO CC[NH+](CC)Cc1cccc(N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000579672037 1081973037 /nfs/dbraw/zinc/97/30/37/1081973037.db2.gz SGZMXVVGUGHVBL-RTBURBONSA-N 1 0 371.485 4.229 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471611377 1082090929 /nfs/dbraw/zinc/09/09/29/1082090929.db2.gz PYNUIBZPFRDIDE-MRUHUIDDSA-N 1 0 371.481 4.336 20 5 FIBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000610476342 1082300511 /nfs/dbraw/zinc/30/05/11/1082300511.db2.gz OKXFMBDBWPSEGS-XLIONFOSSA-N 1 0 358.413 4.334 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1[N+](=O)[O-] ZINC000177937995 1082352171 /nfs/dbraw/zinc/35/21/71/1082352171.db2.gz UEBCEEPWWVSXAQ-QKKBWIMNSA-N 1 0 368.433 4.476 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000178020511 1082589987 /nfs/dbraw/zinc/58/99/87/1082589987.db2.gz CHSUERDYNBHYNT-CABCVRRESA-N 1 0 356.422 4.476 20 5 FIBDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001167464445 1082593510 /nfs/dbraw/zinc/59/35/10/1082593510.db2.gz MAFZDWSPNGDUFQ-BRWVUGGUSA-N 1 0 367.449 4.108 20 5 FIBDRO COc1cc(C[N@H+](C)CC2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510440257 1082733515 /nfs/dbraw/zinc/73/35/15/1082733515.db2.gz CKMGBMRUGCKQIV-UHFFFAOYSA-N 1 0 356.422 4.024 20 5 FIBDRO COc1cc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000090910034 1082873393 /nfs/dbraw/zinc/87/33/93/1082873393.db2.gz GRNCMYPFAAYCNO-LBPRGKRZSA-N 1 0 366.364 4.098 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@H+](C)Cc2ccco2)n1 ZINC000178236690 1083001325 /nfs/dbraw/zinc/00/13/25/1083001325.db2.gz FIOWZUNCWVYSPJ-UHFFFAOYSA-N 1 0 366.421 4.135 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3CCc3ccccc3)nc2c1 ZINC000610581206 1083210384 /nfs/dbraw/zinc/21/03/84/1083210384.db2.gz NEZBEDLYAQGWMM-MRXNPFEDSA-N 1 0 351.406 4.333 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430941357 1083244274 /nfs/dbraw/zinc/24/42/74/1083244274.db2.gz WAXOMFYPGICAMG-MJGOQNOKSA-N 1 0 354.450 4.380 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CC[C@@H](CO)CC2)cc1[N+](=O)[O-] ZINC000610707561 1083340680 /nfs/dbraw/zinc/34/06/80/1083340680.db2.gz ZZLCWTAWTHWEAN-MAEOIBBWSA-N 1 0 369.465 4.003 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCCn2ccnc2)s1 ZINC000520950069 1083368574 /nfs/dbraw/zinc/36/85/74/1083368574.db2.gz FSXKHDIMBPNPRT-UHFFFAOYSA-N 1 0 356.451 4.090 20 5 FIBDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000510956786 1083536446 /nfs/dbraw/zinc/53/64/46/1083536446.db2.gz ANYDDILMXRULIU-FZKQIMNGSA-N 1 0 358.413 4.341 20 5 FIBDRO O=[N+]([O-])c1ccccc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535692061 1083582781 /nfs/dbraw/zinc/58/27/81/1083582781.db2.gz RSTCWDVSAFYHDX-UHFFFAOYSA-N 1 0 351.450 4.087 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](Cc2nccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000610827834 1083743515 /nfs/dbraw/zinc/74/35/15/1083743515.db2.gz CSZYGYBBVZHJNN-LPHOPBHVSA-N 1 0 364.449 4.271 20 5 FIBDRO CSc1ccccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000411472294 1083775254 /nfs/dbraw/zinc/77/52/54/1083775254.db2.gz HCUVRMJSHQKZPZ-AWEZNQCLSA-N 1 0 373.478 4.305 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC([C@H]4CCOC4)CC3)o2)cc1 ZINC000612402070 1083776964 /nfs/dbraw/zinc/77/69/64/1083776964.db2.gz CAJVLPAIDIZZMV-KRWDZBQOSA-N 1 0 356.422 4.103 20 5 FIBDRO CN(CCc1cccc([N+](=O)[O-])c1)Cc1csc(Cc2ccccc2)n1 ZINC000548928801 1083778501 /nfs/dbraw/zinc/77/85/01/1083778501.db2.gz WDIZLJAFQLVPMO-UHFFFAOYSA-N 1 0 367.474 4.317 20 5 FIBDRO CC(C)[NH+]1CCC(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000236603612 1083811124 /nfs/dbraw/zinc/81/11/24/1083811124.db2.gz ZKMLUNMRLCKHFI-UHFFFAOYSA-N 1 0 359.495 4.286 20 5 FIBDRO CC(C)c1ccc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-] ZINC000610899217 1083818922 /nfs/dbraw/zinc/81/89/22/1083818922.db2.gz KXZOKPBPXDQANR-UHFFFAOYSA-N 1 0 354.406 4.226 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(c2cccs2)CC1 ZINC000615723935 1083844682 /nfs/dbraw/zinc/84/46/82/1083844682.db2.gz AMTLTIKFLDNAQY-QINSGFPZSA-N 1 0 357.479 4.318 20 5 FIBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000411877553 1083917345 /nfs/dbraw/zinc/91/73/45/1083917345.db2.gz DELLUAKMEQHAOT-MLGOLLRUSA-N 1 0 361.829 4.316 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000612580070 1083925970 /nfs/dbraw/zinc/92/59/70/1083925970.db2.gz FTOJBVJNMRVELR-IBGZPJMESA-N 1 0 374.444 4.007 20 5 FIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000177451332 1083970201 /nfs/dbraw/zinc/97/02/01/1083970201.db2.gz PDBHFLMGZDKSQM-FUHWJXTLSA-N 1 0 362.401 4.195 20 5 FIBDRO CCOc1ccc([C@H](C)N[C@H](C)c2nnc([C@H](C)CC)[nH]2)cc1[N+](=O)[O-] ZINC000277209534 1084018148 /nfs/dbraw/zinc/01/81/48/1084018148.db2.gz KFABKNATVYOBRF-FRRDWIJNSA-N 1 0 361.446 4.037 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cccc4ncccc34)CC2)cc1 ZINC001167499049 1084018639 /nfs/dbraw/zinc/01/86/39/1084018639.db2.gz BFEGLYZKSBBJNL-UHFFFAOYSA-N 1 0 363.417 4.186 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)cs1 ZINC000412003395 1084183703 /nfs/dbraw/zinc/18/37/03/1084183703.db2.gz ADNQQYQCWWHCPN-GOSISDBHSA-N 1 0 360.479 4.430 20 5 FIBDRO COc1ccccc1[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])OC(C)C ZINC000472052072 1084189593 /nfs/dbraw/zinc/18/95/93/1084189593.db2.gz BYCZNTUWDAUOFQ-FLJMFPIGSA-N 1 0 370.449 4.373 20 5 FIBDRO CC[NH+](CC)Cc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)o1 ZINC000612936627 1084208748 /nfs/dbraw/zinc/20/87/48/1084208748.db2.gz QJWGGICPHNOOTA-UHFFFAOYSA-N 1 0 356.382 4.055 20 5 FIBDRO COc1cc(C[NH+]2CCCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538824768 1084211233 /nfs/dbraw/zinc/21/12/33/1084211233.db2.gz KEWHWERKONBRAB-UHFFFAOYSA-N 1 0 356.422 4.168 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(F)c(OC)cc32)cc1[N+](=O)[O-] ZINC000511019377 1084214040 /nfs/dbraw/zinc/21/40/40/1084214040.db2.gz VOWVWLSOFLBARZ-YVEFUNNKSA-N 1 0 374.412 4.479 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)c3ccsc3)s2)cc1 ZINC000472064090 1084215324 /nfs/dbraw/zinc/21/53/24/1084215324.db2.gz QZSXBSAQHPBBPR-INIZCTEOSA-N 1 0 360.460 4.208 20 5 FIBDRO CCCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(C)cc1 ZINC000611565497 1084229056 /nfs/dbraw/zinc/22/90/56/1084229056.db2.gz MHZBHGQHKNZNMZ-UHFFFAOYSA-N 1 0 366.421 4.365 20 5 FIBDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000539065428 1084305744 /nfs/dbraw/zinc/30/57/44/1084305744.db2.gz HXEMNDWQDBFFQN-STXHMFSFSA-N 1 0 358.438 4.339 20 5 FIBDRO CCCCn1cc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)n1 ZINC000539216603 1084411817 /nfs/dbraw/zinc/41/18/17/1084411817.db2.gz GTPBLVWJUPAEMJ-IBGZPJMESA-N 1 0 356.470 4.011 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(CO)CCCC3)o2)c(Cl)c1 ZINC000472125685 1084415628 /nfs/dbraw/zinc/41/56/28/1084415628.db2.gz GZSKEDZRNHJHAD-UHFFFAOYSA-N 1 0 364.829 4.151 20 5 FIBDRO COc1ccc([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1F ZINC000582086261 1084670586 /nfs/dbraw/zinc/67/05/86/1084670586.db2.gz OTINOJULXPIQOA-GFCCVEGCSA-N 1 0 357.385 4.117 20 5 FIBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1 ZINC000540354583 1084786836 /nfs/dbraw/zinc/78/68/36/1084786836.db2.gz OFOAPPRGGYIPMP-NVXWUHKLSA-N 1 0 355.438 4.280 20 5 FIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000548722491 1084839799 /nfs/dbraw/zinc/83/97/99/1084839799.db2.gz ZKCYEQIXYBSLAS-HXUWFJFHSA-N 1 0 351.381 4.051 20 5 FIBDRO Cc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c(N2CCCC2)n1 ZINC000611590753 1084915344 /nfs/dbraw/zinc/91/53/44/1084915344.db2.gz BXKXANJKQGGBAK-MRXNPFEDSA-N 1 0 354.454 4.058 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+][C@H]1CCC[C@@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000414298575 1084994066 /nfs/dbraw/zinc/99/40/66/1084994066.db2.gz JCFRTUCBDHHQRS-OKZBNKHCSA-N 1 0 356.470 4.222 20 5 FIBDRO CN(Cc1csc([N+](=O)[O-])c1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511127485 1085013340 /nfs/dbraw/zinc/01/33/40/1085013340.db2.gz VTYOUKFVPFINAQ-UHFFFAOYSA-N 1 0 360.357 4.229 20 5 FIBDRO COc1cc(C[N@H+](Cc2ccc(C)s2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000511838677 1085123094 /nfs/dbraw/zinc/12/30/94/1085123094.db2.gz PRJJWUUHODMNIW-UHFFFAOYSA-N 1 0 364.467 4.393 20 5 FIBDRO CCC(=O)c1ccc(NCc2cccc(C[N@@H+](C)CC)c2)c([N+](=O)[O-])c1 ZINC000479375822 1085155905 /nfs/dbraw/zinc/15/59/05/1085155905.db2.gz HATHXWGGVAMWIC-UHFFFAOYSA-N 1 0 355.438 4.251 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CCO)c3ccccc3)o2)cc1 ZINC000124442685 1085158433 /nfs/dbraw/zinc/15/84/33/1085158433.db2.gz STVPCORNULYKFG-LJQANCHMSA-N 1 0 352.390 4.068 20 5 FIBDRO COc1ccc([C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000480082304 1085412063 /nfs/dbraw/zinc/41/20/63/1085412063.db2.gz KWJKRMHCELDAKH-KKSFZXQISA-N 1 0 369.465 4.091 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178645836 1085555711 /nfs/dbraw/zinc/55/57/11/1085555711.db2.gz ZNPFXDCPVRYVRC-INIZCTEOSA-N 1 0 354.454 4.221 20 5 FIBDRO Cc1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)nc(C)n1 ZINC000582800722 1085734569 /nfs/dbraw/zinc/73/45/69/1085734569.db2.gz RNFZAKDFYKCHBC-UHFFFAOYSA-N 1 0 354.435 4.020 20 5 FIBDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000178690613 1085816958 /nfs/dbraw/zinc/81/69/58/1085816958.db2.gz GQUUFXPJEGYDRY-UONOGXRCSA-N 1 0 359.401 4.029 20 5 FIBDRO COc1ccc([C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccco2)cc1 ZINC000612409586 1085858247 /nfs/dbraw/zinc/85/82/47/1085858247.db2.gz FMNADERBIIVEQW-FQEVSTJZSA-N 1 0 352.390 4.118 20 5 FIBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1c1ccccc1 ZINC000582878289 1085869785 /nfs/dbraw/zinc/86/97/85/1085869785.db2.gz OTKHWMIMVJSMJG-OXJNMPFZSA-N 1 0 367.449 4.049 20 5 FIBDRO CCC[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000162254314 1086023467 /nfs/dbraw/zinc/02/34/67/1086023467.db2.gz VXUZCNCKYSGAIJ-OAQYLSRUSA-N 1 0 368.481 4.085 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)c2c(c1)COCO2 ZINC000052106017 1086205230 /nfs/dbraw/zinc/20/52/30/1086205230.db2.gz VOTVCVUJSFQRSS-LJQANCHMSA-N 1 0 368.433 4.059 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCc4c3cccc4O)o2)c1 ZINC000105486578 1086560495 /nfs/dbraw/zinc/56/04/95/1086560495.db2.gz XCPKDZJNIZYRFG-SFHVURJKSA-N 1 0 350.374 4.338 20 5 FIBDRO C[C@H]([NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000728566963 1086684367 /nfs/dbraw/zinc/68/43/67/1086684367.db2.gz KSKKOTYJWLKEDW-ZDUSSCGKSA-N 1 0 358.398 4.044 20 5 FIBDRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000585754354 1086686976 /nfs/dbraw/zinc/68/69/76/1086686976.db2.gz JHZRXOPXNGQWIR-UHFFFAOYSA-N 1 0 361.829 4.054 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C(C)(C)c1ccccc1 ZINC000585754380 1086686997 /nfs/dbraw/zinc/68/69/97/1086686997.db2.gz KXPORKFEEWHDNI-UHFFFAOYSA-N 1 0 355.438 4.099 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2CC(c3ccccc3)C2)n1 ZINC000549626371 1086744985 /nfs/dbraw/zinc/74/49/85/1086744985.db2.gz QQVHZGXGUBJISJ-SOTJZCEJSA-N 1 0 354.454 4.058 20 5 FIBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1ccc(CO)c(C)c1 ZINC001211588274 1086795529 /nfs/dbraw/zinc/79/55/29/1086795529.db2.gz MIRPWCMUGLHSRL-UHFFFAOYSA-N 1 0 373.456 4.045 20 5 FIBDRO Cc1cc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000157612424 1086954303 /nfs/dbraw/zinc/95/43/03/1086954303.db2.gz HDETZBUWTLVSGL-KRWDZBQOSA-N 1 0 373.497 4.020 20 5 FIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000052611827 1086985095 /nfs/dbraw/zinc/98/50/95/1086985095.db2.gz ASFYZFCRDFFMPN-ZDUSSCGKSA-N 1 0 355.369 4.255 20 5 FIBDRO CN(C)c1cccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000179031037 1087114388 /nfs/dbraw/zinc/11/43/88/1087114388.db2.gz IHYOQXROKCIIOG-UHFFFAOYSA-N 1 0 368.462 4.074 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000052795438 1087162435 /nfs/dbraw/zinc/16/24/35/1087162435.db2.gz MUMBWEGVIBGJGV-MRXNPFEDSA-N 1 0 367.449 4.142 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cnn1C(C)C ZINC000584195441 1087213640 /nfs/dbraw/zinc/21/36/40/1087213640.db2.gz BTKQQRVMUKDEQK-CYBMUJFWSA-N 1 0 355.442 4.055 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@](C)(Cc1ccccc1)[C@@H](C)O ZINC000584207052 1087219600 /nfs/dbraw/zinc/21/96/00/1087219600.db2.gz VJOAMHCJCAVNLW-FVJLSDCUSA-N 1 0 356.466 4.184 20 5 FIBDRO Cc1nc(C)c([C@H](C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000162140938 1087253925 /nfs/dbraw/zinc/25/39/25/1087253925.db2.gz ATPASUDLNVXREF-QMMMGPOBSA-N 1 0 370.272 4.281 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)C1CC1 ZINC000480332951 1087386515 /nfs/dbraw/zinc/38/65/15/1087386515.db2.gz UKZMEDHMZFLCJU-QGZVFWFLSA-N 1 0 370.840 4.007 20 5 FIBDRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000056170588 1087522768 /nfs/dbraw/zinc/52/27/68/1087522768.db2.gz NAIJKNKOOHDOKR-HUUCEWRRSA-N 1 0 371.437 4.060 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000472357975 1087783470 /nfs/dbraw/zinc/78/34/70/1087783470.db2.gz DGLLIFQKGSXHGF-VLIAUNLRSA-N 1 0 371.412 4.064 20 5 FIBDRO CC(C)(C)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001167699637 1087948400 /nfs/dbraw/zinc/94/84/00/1087948400.db2.gz JKTPEMWSODJSMO-IBGZPJMESA-N 1 0 355.438 4.300 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000504899368 1087971307 /nfs/dbraw/zinc/97/13/07/1087971307.db2.gz FODUSJMBBVGLMS-OAHLLOKOSA-N 1 0 365.433 4.435 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccn1CC(C)C ZINC000504917484 1087984507 /nfs/dbraw/zinc/98/45/07/1087984507.db2.gz CRQGIDIUYPSAHG-OAHLLOKOSA-N 1 0 362.499 4.108 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccn1CC(C)C ZINC000504917483 1087984626 /nfs/dbraw/zinc/98/46/26/1087984626.db2.gz CRQGIDIUYPSAHG-HNNXBMFYSA-N 1 0 362.499 4.108 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ccc(OC)c(F)c2)cc1[N+](=O)[O-] ZINC000504931318 1087997414 /nfs/dbraw/zinc/99/74/14/1087997414.db2.gz XFHSDZYKPZRUCF-CYBMUJFWSA-N 1 0 362.401 4.035 20 5 FIBDRO COc1cnccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000188770013 1088089972 /nfs/dbraw/zinc/08/99/72/1088089972.db2.gz JYXULMSTZVZYQM-HDMKZQKVSA-N 1 0 355.438 4.060 20 5 FIBDRO CC(C)[NH+]1CCC(N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180813224 1088090862 /nfs/dbraw/zinc/09/08/62/1088090862.db2.gz LZRLBYCVTKGZGN-OAQYLSRUSA-N 1 0 353.466 4.147 20 5 FIBDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000513838151 1088442865 /nfs/dbraw/zinc/44/28/65/1088442865.db2.gz LWYLVNRBHAQPEF-MRXNPFEDSA-N 1 0 369.465 4.236 20 5 FIBDRO CC(C)([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000189276818 1088473329 /nfs/dbraw/zinc/47/33/29/1088473329.db2.gz IMESAJKYSHMGGD-UHFFFAOYSA-N 1 0 368.412 4.004 20 5 FIBDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189496199 1088485688 /nfs/dbraw/zinc/48/56/88/1088485688.db2.gz XGIVWKKVJKMGCZ-SJORKVTESA-N 1 0 361.467 4.404 20 5 FIBDRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000311309348 1088540288 /nfs/dbraw/zinc/54/02/88/1088540288.db2.gz ZATNNPXLNOXVCP-GDBMZVCRSA-N 1 0 363.458 4.035 20 5 FIBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc2ccccc2c2cccnc12 ZINC000434422130 1088612286 /nfs/dbraw/zinc/61/22/86/1088612286.db2.gz PAHMLRILYVNODF-SFHVURJKSA-N 1 0 359.473 4.135 20 5 FIBDRO C[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(F)(F)F ZINC000414534534 1088817870 /nfs/dbraw/zinc/81/78/70/1088817870.db2.gz WRWKNNLCYNDPDI-SNVBAGLBSA-N 1 0 359.373 4.396 20 5 FIBDRO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000434615075 1088856456 /nfs/dbraw/zinc/85/64/56/1088856456.db2.gz LVEACTDSWBJEJJ-FQEVSTJZSA-N 1 0 373.428 4.026 20 5 FIBDRO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000434616224 1088865983 /nfs/dbraw/zinc/86/59/83/1088865983.db2.gz PGCUQLFOHVTZMA-IBGZPJMESA-N 1 0 359.401 4.002 20 5 FIBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc3ccccc3c3cccnc23)c1 ZINC000613619898 1088965818 /nfs/dbraw/zinc/96/58/18/1088965818.db2.gz ZSFGOMSAPQCFGW-UHFFFAOYSA-N 1 0 369.468 4.380 20 5 FIBDRO CC(C)[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1(CO)CCC1 ZINC000430090017 1088967808 /nfs/dbraw/zinc/96/78/08/1088967808.db2.gz MEPJFDKVRNYJBA-LJQANCHMSA-N 1 0 358.438 4.132 20 5 FIBDRO Cc1ccc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000434751048 1089029118 /nfs/dbraw/zinc/02/91/18/1089029118.db2.gz BGNXUBDOPQKKBX-INIZCTEOSA-N 1 0 355.438 4.152 20 5 FIBDRO C[C@@H]1C[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000549170897 1089105117 /nfs/dbraw/zinc/10/51/17/1089105117.db2.gz QDHYXFVHQJMXPU-WBVHZDCISA-N 1 0 362.433 4.193 20 5 FIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+][C@@H](C)CO)cc2[N+](=O)[O-])c1 ZINC000236741043 1089191946 /nfs/dbraw/zinc/19/19/46/1089191946.db2.gz OVOLXTADKRACJY-HNNXBMFYSA-N 1 0 358.438 4.289 20 5 FIBDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000435039233 1089214972 /nfs/dbraw/zinc/21/49/72/1089214972.db2.gz CQVYDKANKNFWMC-HOCLYGCPSA-N 1 0 351.406 4.189 20 5 FIBDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000435039232 1089215973 /nfs/dbraw/zinc/21/59/73/1089215973.db2.gz CQVYDKANKNFWMC-GOEBONIOSA-N 1 0 351.406 4.189 20 5 FIBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000505598204 1089253422 /nfs/dbraw/zinc/25/34/22/1089253422.db2.gz YFWQYFLPUIDPEP-WCQYABFASA-N 1 0 358.385 4.010 20 5 FIBDRO Cn1cc(C[N@@H+]2CCC[C@H]2C2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511523445 1089285344 /nfs/dbraw/zinc/28/53/44/1089285344.db2.gz NXDLLGXWMYMHFZ-IBGZPJMESA-N 1 0 354.454 4.150 20 5 FIBDRO CCc1nc2cc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3C)ccc2n1C1CC1 ZINC000549248886 1089411302 /nfs/dbraw/zinc/41/13/02/1089411302.db2.gz AKDKTKUUSVWORK-UHFFFAOYSA-N 1 0 364.449 4.440 20 5 FIBDRO COc1cccc(F)c1[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000122529011 1089478293 /nfs/dbraw/zinc/47/82/93/1089478293.db2.gz MASZWZLRCGFHOV-AWEZNQCLSA-N 1 0 373.428 4.062 20 5 FIBDRO Cc1noc(C[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c2ccccc2)n1 ZINC000517476589 1089597453 /nfs/dbraw/zinc/59/74/53/1089597453.db2.gz JXAGLGYNUFWCKN-KUHUBIRLSA-N 1 0 366.421 4.229 20 5 FIBDRO COc1cc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1OCC(C)C ZINC000101595379 1089805104 /nfs/dbraw/zinc/80/51/04/1089805104.db2.gz XCEFISFKQMACCK-OAHLLOKOSA-N 1 0 358.438 4.489 20 5 FIBDRO Cc1c(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cccc1[N+](=O)[O-] ZINC000103232834 1090072430 /nfs/dbraw/zinc/07/24/30/1090072430.db2.gz FKZMMJQPZWXHLR-QGZVFWFLSA-N 1 0 374.485 4.023 20 5 FIBDRO CC(C)[C@H](O)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000236817992 1090190560 /nfs/dbraw/zinc/19/05/60/1090190560.db2.gz MBDYBUOVZKGXHE-QGZVFWFLSA-N 1 0 364.829 4.147 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(Br)nc2)cc1[N+](=O)[O-] ZINC000290674969 1090194997 /nfs/dbraw/zinc/19/49/97/1090194997.db2.gz LPMAGDVZURLLTP-VXGBXAGGSA-N 1 0 364.243 4.473 20 5 FIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416127026 1090208553 /nfs/dbraw/zinc/20/85/53/1090208553.db2.gz CJSIWQCYBFQYFL-HXUWFJFHSA-N 1 0 369.465 4.025 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3nccs3)CC1)CCCC2 ZINC000417328989 1090819416 /nfs/dbraw/zinc/81/94/16/1090819416.db2.gz JADWEGXSPRNIMM-SFHVURJKSA-N 1 0 372.494 4.077 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000566574583 1091059669 /nfs/dbraw/zinc/05/96/69/1091059669.db2.gz MLDGZXMLIYFSEA-UHFFFAOYSA-N 1 0 358.360 4.006 20 5 FIBDRO CCOc1cc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000092687357 1091092551 /nfs/dbraw/zinc/09/25/51/1091092551.db2.gz FXCRTMSZKSPNTM-HNNXBMFYSA-N 1 0 370.453 4.026 20 5 FIBDRO CSc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000500219367 1091114409 /nfs/dbraw/zinc/11/44/09/1091114409.db2.gz PANXXUMZGDGVKI-AWEZNQCLSA-N 1 0 373.478 4.305 20 5 FIBDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000467218089 1091331407 /nfs/dbraw/zinc/33/14/07/1091331407.db2.gz NZHHZOFTTZXFCV-OAQYLSRUSA-N 1 0 368.433 4.059 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C2CC2)cc1 ZINC000759854457 1091337330 /nfs/dbraw/zinc/33/73/30/1091337330.db2.gz XHSNFIRPTVRCHS-SFHVURJKSA-N 1 0 364.804 4.085 20 5 FIBDRO COCC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCC1 ZINC000500395232 1091417107 /nfs/dbraw/zinc/41/71/07/1091417107.db2.gz MWFUEGWGNVHULZ-UHFFFAOYSA-N 1 0 364.829 4.415 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000053722072 1091418440 /nfs/dbraw/zinc/41/84/40/1091418440.db2.gz GRVXJSAXNSOXLM-CYBMUJFWSA-N 1 0 359.451 4.283 20 5 FIBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000511759285 1091626655 /nfs/dbraw/zinc/62/66/55/1091626655.db2.gz TUVXCFMSSPSRMK-SUMDDJOVSA-N 1 0 372.852 4.253 20 5 FIBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000549512417 1091632396 /nfs/dbraw/zinc/63/23/96/1091632396.db2.gz CPDHQWHRRYWFQW-IYBDPMFKSA-N 1 0 354.454 4.080 20 5 FIBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1nc(-c2ccncc2)cs1 ZINC000124048633 1091663373 /nfs/dbraw/zinc/66/33/73/1091663373.db2.gz BMIYAHHGEUXLIC-YVARQFDVSA-N 1 0 366.446 4.477 20 5 FIBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CC=CCC3)C2)cccc1[N+](=O)[O-] ZINC000512213601 1091917552 /nfs/dbraw/zinc/91/75/52/1091917552.db2.gz ODHCDCKRBCFTSI-UZLBHIALSA-N 1 0 357.454 4.053 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000512221019 1091923681 /nfs/dbraw/zinc/92/36/81/1091923681.db2.gz WARCYCFGGCQXQT-INIZCTEOSA-N 1 0 355.221 4.115 20 5 FIBDRO Cc1c(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cccc1[N+](=O)[O-] ZINC000512247449 1091961960 /nfs/dbraw/zinc/96/19/60/1091961960.db2.gz ZHOASNGMQIRRCC-JOCHJYFZSA-N 1 0 365.477 4.001 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@H]2CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000500454805 1092089881 /nfs/dbraw/zinc/08/98/81/1092089881.db2.gz FDNVORMZWVNPIP-ZDUSSCGKSA-N 1 0 358.385 4.215 20 5 FIBDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000236869165 1092093472 /nfs/dbraw/zinc/09/34/72/1092093472.db2.gz IETOSTLSGSSGTM-FZKQIMNGSA-N 1 0 362.401 4.023 20 5 FIBDRO CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000508342224 1092256328 /nfs/dbraw/zinc/25/63/28/1092256328.db2.gz YCVUFXGIBHPHKT-UHFFFAOYSA-N 1 0 350.422 4.337 20 5 FIBDRO Cc1cc(NC[C@H]2CCO[C@@H]2c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000428222722 1092273236 /nfs/dbraw/zinc/27/32/36/1092273236.db2.gz ULHCYYXFWYUHDQ-IIBYNOLFSA-N 1 0 363.417 4.063 20 5 FIBDRO C[NH+](C)[C@@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)c1cccs1 ZINC000521055196 1092452347 /nfs/dbraw/zinc/45/23/47/1092452347.db2.gz ZLTFJBFIFFTYIZ-DZGCQCFKSA-N 1 0 373.400 4.152 20 5 FIBDRO CSc1ccc([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000467440710 1092592169 /nfs/dbraw/zinc/59/21/69/1092592169.db2.gz WPNFVVREEVMOLE-UONOGXRCSA-N 1 0 373.478 4.385 20 5 FIBDRO CC(C)C[C@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001126346662 1092715852 /nfs/dbraw/zinc/71/58/52/1092715852.db2.gz GSRAOALXSLKALE-QGZVFWFLSA-N 1 0 370.453 4.211 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ccc3[nH]ccc3c2)cc1[N+](=O)[O-] ZINC000442810517 1092782881 /nfs/dbraw/zinc/78/28/81/1092782881.db2.gz MPAAALFREXUUCQ-CQSZACIVSA-N 1 0 353.422 4.368 20 5 FIBDRO CCOC(=O)C1CCC([N@H+](CC)C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000549825584 1092858447 /nfs/dbraw/zinc/85/84/47/1092858447.db2.gz SRSNHSHHFVBUQO-SSZFMOIBSA-N 1 0 374.481 4.442 20 5 FIBDRO C[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[NH+]1CCCCC1 ZINC000521814019 1092924775 /nfs/dbraw/zinc/92/47/75/1092924775.db2.gz PPHNUQTZXVHMJX-MRXNPFEDSA-N 1 0 357.454 4.066 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000521831920 1092934352 /nfs/dbraw/zinc/93/43/52/1092934352.db2.gz XWQHHGMKSCWQNG-GOSISDBHSA-N 1 0 355.438 4.021 20 5 FIBDRO C[N@H+](CCSc1ccc2ncccc2c1[N+](=O)[O-])Cc1ccccc1 ZINC000432915037 1092939303 /nfs/dbraw/zinc/93/93/03/1092939303.db2.gz CMAVCWPNMJHPQT-UHFFFAOYSA-N 1 0 353.447 4.367 20 5 FIBDRO COc1ccc(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1OC ZINC000433122391 1093273784 /nfs/dbraw/zinc/27/37/84/1093273784.db2.gz VRICULBWHVBJBH-GOSISDBHSA-N 1 0 370.449 4.167 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]C[C@H](c2ccco2)N2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433146889 1093332287 /nfs/dbraw/zinc/33/22/87/1093332287.db2.gz MWMJFQIAQJFKGZ-RTBURBONSA-N 1 0 369.465 4.337 20 5 FIBDRO COc1cccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1OC ZINC000433152744 1093340318 /nfs/dbraw/zinc/34/03/18/1093340318.db2.gz NGBVMTZTLPJVFY-KRWDZBQOSA-N 1 0 356.422 4.124 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1CN(C)Cc1ccccc1OC(F)(F)F ZINC000025242757 1093355765 /nfs/dbraw/zinc/35/57/65/1093355765.db2.gz JAZCBMDIDOEIGH-UHFFFAOYSA-N 1 0 370.327 4.134 20 5 FIBDRO COCC[C@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000467272170 1093389720 /nfs/dbraw/zinc/38/97/20/1093389720.db2.gz YTLIWWJUVFVXAK-MRXNPFEDSA-N 1 0 350.459 4.021 20 5 FIBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1COC)c1ccsc1 ZINC000474150360 1093463613 /nfs/dbraw/zinc/46/36/13/1093463613.db2.gz BDBBZQCJBDUJLN-SFHVURJKSA-N 1 0 363.483 4.298 20 5 FIBDRO CC1(C)C[C@H]([NH2+]C[C@H](CCO)c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433270555 1093513283 /nfs/dbraw/zinc/51/32/83/1093513283.db2.gz LGJXSTYBRRPIDA-JXFKEZNVSA-N 1 0 354.450 4.073 20 5 FIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000429964883 1093684651 /nfs/dbraw/zinc/68/46/51/1093684651.db2.gz CHRYLJAFDLHOCE-BEFAXECRSA-N 1 0 370.453 4.025 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)cs1 ZINC000513059987 1093712410 /nfs/dbraw/zinc/71/24/10/1093712410.db2.gz YAVZWDMFWMQITC-LSDHHAIUSA-N 1 0 354.378 4.024 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000397991351 1093799829 /nfs/dbraw/zinc/79/98/29/1093799829.db2.gz ASGUQIKSZWTBSC-LQWHRVPQSA-N 1 0 367.493 4.464 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000397988077 1093805337 /nfs/dbraw/zinc/80/53/37/1093805337.db2.gz PEEVHPFSIHJGLR-BEFAXECRSA-N 1 0 373.884 4.248 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c(O[C@H]2CCOC2)c1 ZINC000120605383 1093894096 /nfs/dbraw/zinc/89/40/96/1093894096.db2.gz CHERRLKCMBMISW-WMZOPIPTSA-N 1 0 370.449 4.230 20 5 FIBDRO CCCC[N@H+](C)CC1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473508576 1093895443 /nfs/dbraw/zinc/89/54/43/1093895443.db2.gz NYUXFJDRPCFXQO-UHFFFAOYSA-N 1 0 356.470 4.091 20 5 FIBDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000513242609 1094033685 /nfs/dbraw/zinc/03/36/85/1094033685.db2.gz VBFNSVOJMDSKPQ-RDTXWAMCSA-N 1 0 364.405 4.228 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000513246818 1094034046 /nfs/dbraw/zinc/03/40/46/1094034046.db2.gz DDEDYOHJOWZZQY-YWZLYKJASA-N 1 0 367.449 4.315 20 5 FIBDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000513272321 1094043243 /nfs/dbraw/zinc/04/32/43/1094043243.db2.gz QNAGCWYQFRODRF-DNVCBOLYSA-N 1 0 353.422 4.007 20 5 FIBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000513507435 1094168674 /nfs/dbraw/zinc/16/86/74/1094168674.db2.gz ULDFIWMOTBZTDR-GQGSAGHOSA-N 1 0 352.862 4.010 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000182861782 1094183793 /nfs/dbraw/zinc/18/37/93/1094183793.db2.gz NHSYVKOLCKYKNI-MRXNPFEDSA-N 1 0 373.497 4.125 20 5 FIBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1OC ZINC000513654368 1094255421 /nfs/dbraw/zinc/25/54/21/1094255421.db2.gz IDUWSIMZMDXWIO-HIFRSBDPSA-N 1 0 358.438 4.202 20 5 FIBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1OC ZINC000513654370 1094255672 /nfs/dbraw/zinc/25/56/72/1094255672.db2.gz IDUWSIMZMDXWIO-UKRRQHHQSA-N 1 0 358.438 4.202 20 5 FIBDRO C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cn1 ZINC000280188846 1094300742 /nfs/dbraw/zinc/30/07/42/1094300742.db2.gz SAOOCJATJXHQGI-WDEREUQCSA-N 1 0 350.216 4.164 20 5 FIBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000501080897 1094496326 /nfs/dbraw/zinc/49/63/26/1094496326.db2.gz ZFHDVTDJVIJRFV-CQSZACIVSA-N 1 0 359.401 4.146 20 5 FIBDRO CSc1ccccc1[C@@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000501554945 1094776522 /nfs/dbraw/zinc/77/65/22/1094776522.db2.gz UUPFGCPMUPSVOY-CQSZACIVSA-N 1 0 373.478 4.305 20 5 FIBDRO C[NH+](C)[C@H]1CCOc2c(Nc3nccc4ccc([N+](=O)[O-])cc43)cccc21 ZINC000413267230 1094835623 /nfs/dbraw/zinc/83/56/23/1094835623.db2.gz MXYXNXBCTFHYSI-SFHVURJKSA-N 1 0 364.405 4.272 20 5 FIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420959451 1095199706 /nfs/dbraw/zinc/19/97/06/1095199706.db2.gz DZJFBIIEDPQCMH-CJNGLKHVSA-N 1 0 356.426 4.218 20 5 FIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420959449 1095200557 /nfs/dbraw/zinc/20/05/57/1095200557.db2.gz DZJFBIIEDPQCMH-BBRMVZONSA-N 1 0 356.426 4.218 20 5 FIBDRO CCCn1nccc1C1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000502314473 1095364234 /nfs/dbraw/zinc/36/42/34/1095364234.db2.gz UKHKDGFTHBUALV-SAPNQHFASA-N 1 0 368.481 4.484 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000502342896 1095378370 /nfs/dbraw/zinc/37/83/70/1095378370.db2.gz DGKBNSLFCIGBPF-MTIYJEKLSA-N 1 0 366.465 4.020 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CC=CCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237183772 1095454153 /nfs/dbraw/zinc/45/41/53/1095454153.db2.gz OAOSNJCDOCVQPI-SFHVURJKSA-N 1 0 368.433 4.381 20 5 FIBDRO CC[C@@H]1C[C@@]1([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502484228 1095513617 /nfs/dbraw/zinc/51/36/17/1095513617.db2.gz WVHVOKMFRGYRSO-IERDGZPVSA-N 1 0 367.449 4.065 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000444162359 1095795645 /nfs/dbraw/zinc/79/56/45/1095795645.db2.gz AAITYKCCZGPGNG-YJYMSZOUSA-N 1 0 371.412 4.064 20 5 FIBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502937490 1095979631 /nfs/dbraw/zinc/97/96/31/1095979631.db2.gz FNOHIKUZOSCNTQ-INIZCTEOSA-N 1 0 355.438 4.224 20 5 FIBDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163982385 1096115288 /nfs/dbraw/zinc/11/52/88/1096115288.db2.gz NLJJHTXKFXTTNO-HNNXBMFYSA-N 1 0 364.449 4.307 20 5 FIBDRO Cc1c(C[NH2+]Cc2ccc(Br)c(F)c2)cccc1[N+](=O)[O-] ZINC000231884702 1096125498 /nfs/dbraw/zinc/12/54/98/1096125498.db2.gz IFDSSQCIRGXDEA-UHFFFAOYSA-N 1 0 353.191 4.095 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)c1 ZINC000183822770 1096219662 /nfs/dbraw/zinc/21/96/62/1096219662.db2.gz UDCQMIAAWJGUFA-UHFFFAOYSA-N 1 0 360.211 4.128 20 5 FIBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503437664 1096402638 /nfs/dbraw/zinc/40/26/38/1096402638.db2.gz FOINJGUOMDBYGI-CQSZACIVSA-N 1 0 374.872 4.161 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2O ZINC000513791629 1096458264 /nfs/dbraw/zinc/45/82/64/1096458264.db2.gz RTKPQBQQQFSAAK-ZOCIIQOWSA-N 1 0 352.434 4.289 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCCOC1 ZINC000503914881 1096594986 /nfs/dbraw/zinc/59/49/86/1096594986.db2.gz YDISCUTXQZSDGH-OLZOCXBDSA-N 1 0 364.829 4.413 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCCOC1 ZINC000503914882 1096595173 /nfs/dbraw/zinc/59/51/73/1096595173.db2.gz YDISCUTXQZSDGH-QWHCGFSZSA-N 1 0 364.829 4.413 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)cc1[N+](=O)[O-] ZINC000423429852 1096682689 /nfs/dbraw/zinc/68/26/89/1096682689.db2.gz SZJLLGBHHNLIGK-GUYCJALGSA-N 1 0 355.438 4.438 20 5 FIBDRO Cc1ccc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000532976727 1098645989 /nfs/dbraw/zinc/64/59/89/1098645989.db2.gz DIZJOFZAMWRSEG-MRXNPFEDSA-N 1 0 355.438 4.152 20 5 FIBDRO CCN(Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000505790631 1098913501 /nfs/dbraw/zinc/91/35/01/1098913501.db2.gz ODYPRGROIRYNKV-AEFFLSMTSA-N 1 0 371.456 4.391 20 5 FIBDRO CC[N@H+](C)Cc1cccc(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])c1 ZINC000436316507 1098922639 /nfs/dbraw/zinc/92/26/39/1098922639.db2.gz XJBLPIBNKXBMIT-UHFFFAOYSA-N 1 0 368.359 4.072 20 5 FIBDRO CCCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000533289393 1098938931 /nfs/dbraw/zinc/93/89/31/1098938931.db2.gz IFBFBZYVPCZZRZ-HNNXBMFYSA-N 1 0 355.438 4.057 20 5 FIBDRO O=C(C[NH2+][C@@H](c1ccccc1)C1CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000533368132 1098999347 /nfs/dbraw/zinc/99/93/47/1098999347.db2.gz QHGJHEFSPGBHCW-IBGZPJMESA-N 1 0 373.840 4.318 20 5 FIBDRO CC[NH+](CC)[C@H](c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000516114384 1099195610 /nfs/dbraw/zinc/19/56/10/1099195610.db2.gz GTBXCYIYGIOWDH-SFHVURJKSA-N 1 0 366.421 4.384 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H](C)CO ZINC000237394314 1099461260 /nfs/dbraw/zinc/46/12/60/1099461260.db2.gz MMXAEUWQRRNSBC-CHWSQXEVSA-N 1 0 364.829 4.147 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000516926245 1099936593 /nfs/dbraw/zinc/93/65/93/1099936593.db2.gz HJNOEFSJHGLYNP-FXAWDEMLSA-N 1 0 365.477 4.443 20 5 FIBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2c[nH]nc2-c2ccsc2)C2CC2)c1 ZINC000437574413 1099995254 /nfs/dbraw/zinc/99/52/54/1099995254.db2.gz FINGXGVRHQCLGK-UHFFFAOYSA-N 1 0 354.435 4.211 20 5 FIBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000536722921 1100248058 /nfs/dbraw/zinc/24/80/58/1100248058.db2.gz XEOJTKKKXUWXCZ-RDJZCZTQSA-N 1 0 355.438 4.020 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536806668 1100311434 /nfs/dbraw/zinc/31/14/34/1100311434.db2.gz QDJGKBWWAKWRLQ-UONOGXRCSA-N 1 0 356.451 4.259 20 5 FIBDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000536849163 1100361554 /nfs/dbraw/zinc/36/15/54/1100361554.db2.gz ANXCLVHGOUAZTH-AUSJPIAWSA-N 1 0 358.438 4.339 20 5 FIBDRO C[C@@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000536874355 1100394345 /nfs/dbraw/zinc/39/43/45/1100394345.db2.gz CTEACJTTYYGAPJ-CYBMUJFWSA-N 1 0 361.829 4.318 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459653835 1100396566 /nfs/dbraw/zinc/39/65/66/1100396566.db2.gz DMSAQAWKKGDCQQ-BBRMVZONSA-N 1 0 372.387 4.337 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000517542042 1100463394 /nfs/dbraw/zinc/46/33/94/1100463394.db2.gz KMBUCMHOYWRCMI-LJQANCHMSA-N 1 0 353.466 4.082 20 5 FIBDRO COC[C@@H](C)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000517550001 1100492695 /nfs/dbraw/zinc/49/26/95/1100492695.db2.gz JLQUHOWMUYRHLM-ZDUSSCGKSA-N 1 0 364.829 4.413 20 5 FIBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[C@H](Nc3ccccn3)CC2)c2ccncc21 ZINC000517724997 1100622601 /nfs/dbraw/zinc/62/26/01/1100622601.db2.gz FRFOYCLGKBHPBI-SHTZXODSSA-N 1 0 363.421 4.373 20 5 FIBDRO CC(=O)c1cc(NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000517767308 1100649589 /nfs/dbraw/zinc/64/95/89/1100649589.db2.gz TZMMSPWXMOPRCF-NRFANRHFSA-N 1 0 367.449 4.120 20 5 FIBDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000517778632 1100656558 /nfs/dbraw/zinc/65/65/58/1100656558.db2.gz ZLMNCZQGIMXPOD-SFHVURJKSA-N 1 0 369.396 4.043 20 5 FIBDRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000426037114 1100697240 /nfs/dbraw/zinc/69/72/40/1100697240.db2.gz QZDQEEIPVWGBDE-NEPJUHHUSA-N 1 0 361.364 4.023 20 5 FIBDRO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000426037119 1100697275 /nfs/dbraw/zinc/69/72/75/1100697275.db2.gz QZDQEEIPVWGBDE-VXGBXAGGSA-N 1 0 361.364 4.023 20 5 FIBDRO CC(C)[NH+]1CCC(N(C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000506338226 1100880218 /nfs/dbraw/zinc/88/02/18/1100880218.db2.gz DSXPFKZVGRYMDY-UHFFFAOYSA-N 1 0 357.454 4.159 20 5 FIBDRO CC1CCN(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000518264471 1101049448 /nfs/dbraw/zinc/04/94/48/1101049448.db2.gz DKSNRWBVAFZCHN-UHFFFAOYSA-N 1 0 359.495 4.145 20 5 FIBDRO CC(C)c1ccc(C[NH2+]CCc2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] ZINC000518270171 1101053411 /nfs/dbraw/zinc/05/34/11/1101053411.db2.gz ZIEDXKNSGPNSFB-UHFFFAOYSA-N 1 0 364.449 4.236 20 5 FIBDRO COc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000518275329 1101059202 /nfs/dbraw/zinc/05/92/02/1101059202.db2.gz PUTJTALCZYHUJW-UHFFFAOYSA-N 1 0 355.221 4.243 20 5 FIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000120736601 1101335162 /nfs/dbraw/zinc/33/51/62/1101335162.db2.gz STOPDBRRFHIKMR-UHFFFAOYSA-N 1 0 373.478 4.329 20 5 FIBDRO Cn1cc(C[NH+]2CCC(C)(C3CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000518629501 1101354749 /nfs/dbraw/zinc/35/47/49/1101354749.db2.gz IRFFQADUTXIHKZ-UHFFFAOYSA-N 1 0 354.454 4.007 20 5 FIBDRO CC(C)(C)C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000537078161 1101443740 /nfs/dbraw/zinc/44/37/40/1101443740.db2.gz UUOXDOAWSNPZED-QGZVFWFLSA-N 1 0 355.438 4.300 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000537176101 1101518121 /nfs/dbraw/zinc/51/81/21/1101518121.db2.gz QJJBWXYSOPHVMK-HNNXBMFYSA-N 1 0 369.465 4.490 20 5 FIBDRO COc1ncccc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102421490 1101528693 /nfs/dbraw/zinc/52/86/93/1101528693.db2.gz ROKCAQVMQRZLPK-UHFFFAOYSA-N 1 0 355.419 4.017 20 5 FIBDRO CCN(CC)[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000518771759 1101535154 /nfs/dbraw/zinc/53/51/54/1101535154.db2.gz YDSNRVNBIJFUKY-OAQYLSRUSA-N 1 0 371.481 4.085 20 5 FIBDRO CC[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000518782350 1101581841 /nfs/dbraw/zinc/58/18/41/1101581841.db2.gz UVDXMPMOYDXSQL-ZDUSSCGKSA-N 1 0 350.365 4.480 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCCOc1cccc2cccnc21 ZINC000537302284 1101626279 /nfs/dbraw/zinc/62/62/79/1101626279.db2.gz SPKIPSPISFYMBP-WTKPLQERSA-N 1 0 363.417 4.215 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C3CCOCC3)o2)c1 ZINC000537464867 1101948363 /nfs/dbraw/zinc/94/83/63/1101948363.db2.gz ANNYVOWJNMMMEG-LJQANCHMSA-N 1 0 356.422 4.246 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNCc2nccn2C(F)F)s1 ZINC000237681825 1102116360 /nfs/dbraw/zinc/11/63/60/1102116360.db2.gz TUJJWLSWPJZAGH-UHFFFAOYSA-N 1 0 364.377 4.205 20 5 FIBDRO CC1(Nc2ccc3ccc4ccc(Br)nc4c3n2)CC[NH2+]CC1 ZINC001168187861 1102181033 /nfs/dbraw/zinc/18/10/33/1102181033.db2.gz JXKSRTICNJCEIU-UHFFFAOYSA-N 1 0 371.282 4.100 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cccc4cc[nH]c43)CC2)cc1 ZINC000537632514 1102262418 /nfs/dbraw/zinc/26/24/18/1102262418.db2.gz AFLAHWUDMNLZAH-UHFFFAOYSA-N 1 0 351.406 4.120 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000532450932 1102341120 /nfs/dbraw/zinc/34/11/20/1102341120.db2.gz PRBNFOVHTHQRCZ-GOSISDBHSA-N 1 0 367.493 4.261 20 5 FIBDRO C[C@@H](C[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000532516305 1102450024 /nfs/dbraw/zinc/45/00/24/1102450024.db2.gz QZGNBCXYGIUYSK-LSDHHAIUSA-N 1 0 366.421 4.441 20 5 FIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2conc2Cc2ccccc2)cc1 ZINC000550156116 1102627568 /nfs/dbraw/zinc/62/75/68/1102627568.db2.gz LECPLVNGKYJPOE-UHFFFAOYSA-N 1 0 365.433 4.286 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000192628986 1102725148 /nfs/dbraw/zinc/72/51/48/1102725148.db2.gz WDALUHNFGMQJIC-UHFFFAOYSA-N 1 0 353.422 4.141 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000551097102 1102913559 /nfs/dbraw/zinc/91/35/59/1102913559.db2.gz KQUZRGQLGZQUPV-ZIAGYGMSSA-N 1 0 373.419 4.217 20 5 FIBDRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237815740 1102944514 /nfs/dbraw/zinc/94/45/14/1102944514.db2.gz ULLGVSUGSZFTFT-MRXNPFEDSA-N 1 0 368.462 4.224 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCOCC3CC3)o2)c(Cl)c1 ZINC000237815115 1102944968 /nfs/dbraw/zinc/94/49/68/1102944968.db2.gz QRZBBOXNDRLKPG-UHFFFAOYSA-N 1 0 364.829 4.415 20 5 FIBDRO CN(Cc1ccccc1OCC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000507142475 1103142113 /nfs/dbraw/zinc/14/21/13/1103142113.db2.gz JLCQDTDYKAGQAD-UHFFFAOYSA-N 1 0 354.328 4.168 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@H]2c2ccccc2C)c([N+](=O)[O-])cc1OC ZINC000507143328 1103144543 /nfs/dbraw/zinc/14/45/43/1103144543.db2.gz LJFTYAHXOMCIPF-KRWDZBQOSA-N 1 0 356.422 4.258 20 5 FIBDRO COc1cc(C[N@H+](C)[C@H](C)C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000507448705 1103396725 /nfs/dbraw/zinc/39/67/25/1103396725.db2.gz DFGNOEXRZWKBDK-OAHLLOKOSA-N 1 0 370.449 4.413 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)CCC2 ZINC000192772394 1103541525 /nfs/dbraw/zinc/54/15/25/1103541525.db2.gz MJUFKAMVIJJDHR-QHAWAJNXSA-N 1 0 352.434 4.482 20 5 FIBDRO CC[C@H](C)[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000507663628 1103602502 /nfs/dbraw/zinc/60/25/02/1103602502.db2.gz NNLFIXHQDJZQLU-HNNXBMFYSA-N 1 0 356.422 4.262 20 5 FIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)c1 ZINC000427532783 1103647987 /nfs/dbraw/zinc/64/79/87/1103647987.db2.gz BVJBPVQNFVGNGK-MRXNPFEDSA-N 1 0 365.355 4.218 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000467411866 1103835935 /nfs/dbraw/zinc/83/59/35/1103835935.db2.gz FTQBXMMACAJYLD-LRDDRELGSA-N 1 0 366.820 4.032 20 5 FIBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CC(F)(F)F)c2ccccc2)c1 ZINC000538175870 1104010421 /nfs/dbraw/zinc/01/04/21/1104010421.db2.gz GQOTXZWIRCGRJU-INIZCTEOSA-N 1 0 354.328 4.257 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000538178030 1104011472 /nfs/dbraw/zinc/01/14/72/1104011472.db2.gz NXERKOSOAGBPQL-MRXNPFEDSA-N 1 0 354.328 4.257 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000129445427 1104068047 /nfs/dbraw/zinc/06/80/47/1104068047.db2.gz XYQLYZZBROYHEW-OAQYLSRUSA-N 1 0 364.449 4.471 20 5 FIBDRO CCC[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000129494790 1104282105 /nfs/dbraw/zinc/28/21/05/1104282105.db2.gz KVWQTTVMLLTNAP-FQEVSTJZSA-N 1 0 350.422 4.412 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000441445858 1104732153 /nfs/dbraw/zinc/73/21/53/1104732153.db2.gz WWVHKACIFVOBEH-IBGZPJMESA-N 1 0 362.470 4.306 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000536329311 1104733933 /nfs/dbraw/zinc/73/39/33/1104733933.db2.gz PPYKUIPEQGQLJW-WIYYLYMNSA-N 1 0 367.449 4.020 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000536329307 1104734447 /nfs/dbraw/zinc/73/44/47/1104734447.db2.gz PPYKUIPEQGQLJW-NQIIRXRSSA-N 1 0 367.449 4.020 20 5 FIBDRO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000507918504 1105266272 /nfs/dbraw/zinc/26/62/72/1105266272.db2.gz OREWJQOYBMGQHM-UHFFFAOYSA-N 1 0 371.456 4.078 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CC2(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000507942487 1105278835 /nfs/dbraw/zinc/27/88/35/1105278835.db2.gz SIZFUBCXTKYQKI-IBGZPJMESA-N 1 0 356.422 4.071 20 5 FIBDRO O=C(NCCCCC[NH+]1CCCC1)c1cc2ccccc2c2cccnc12 ZINC000508217279 1105362060 /nfs/dbraw/zinc/36/20/60/1105362060.db2.gz RVOOEBQBXSHHKB-UHFFFAOYSA-N 1 0 361.489 4.384 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000450866084 1106764433 /nfs/dbraw/zinc/76/44/33/1106764433.db2.gz SSROZLGPWPAGRW-BMFZPTHFSA-N 1 0 370.371 4.051 20 5 FIBDRO C[C@]1(O)CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000450958331 1106842966 /nfs/dbraw/zinc/84/29/66/1106842966.db2.gz MVSKJDFDIGYJGA-WBAXXEDZSA-N 1 0 352.862 4.154 20 5 FIBDRO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451109023 1106926805 /nfs/dbraw/zinc/92/68/05/1106926805.db2.gz XLMMQUFGIYSNBQ-IRXDYDNUSA-N 1 0 369.465 4.071 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1cccc(C2CC2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451113893 1106928441 /nfs/dbraw/zinc/92/84/41/1106928441.db2.gz LFIUKTRETVONJA-ZIAGYGMSSA-N 1 0 353.422 4.150 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000451117231 1106929694 /nfs/dbraw/zinc/92/96/94/1106929694.db2.gz UCIDOVHCAYDECV-CQSZACIVSA-N 1 0 353.422 4.070 20 5 FIBDRO Cc1ccccc1CC[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451169902 1106957046 /nfs/dbraw/zinc/95/70/46/1106957046.db2.gz NHINZDJOANRWBK-OAHLLOKOSA-N 1 0 366.421 4.189 20 5 FIBDRO Cc1ccccc1CC[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000451168709 1106957282 /nfs/dbraw/zinc/95/72/82/1106957282.db2.gz WYOREBADCLQUEF-UHFFFAOYSA-N 1 0 365.433 4.275 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCCC[C@H]3CC(F)(F)F)nc2c1 ZINC000451299130 1107015492 /nfs/dbraw/zinc/01/54/92/1107015492.db2.gz RKCKEEKQZHWPCG-JQWIXIFHSA-N 1 0 356.348 4.072 20 5 FIBDRO Cc1ccnc(NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000302227215 1107344342 /nfs/dbraw/zinc/34/43/42/1107344342.db2.gz UHACOQWJIHNWLP-AWEZNQCLSA-N 1 0 368.359 4.032 20 5 FIBDRO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC001168133633 1107395337 /nfs/dbraw/zinc/39/53/37/1107395337.db2.gz DBUSBYYIARFVRI-SFHVURJKSA-N 1 0 355.394 4.457 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000530965257 1107427844 /nfs/dbraw/zinc/42/78/44/1107427844.db2.gz KMAPEOGGHPZZEO-BBRMVZONSA-N 1 0 373.840 4.013 20 5 FIBDRO COc1cc(C[NH2+]CC2(C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000530968366 1107434759 /nfs/dbraw/zinc/43/47/59/1107434759.db2.gz WLYZPVDUMBNFKH-UHFFFAOYSA-N 1 0 356.422 4.072 20 5 FIBDRO C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1c(F)cccc1Cl ZINC000531204877 1107646713 /nfs/dbraw/zinc/64/67/13/1107646713.db2.gz XMBYBWRJXDOXSK-MNOVXSKESA-N 1 0 365.792 4.065 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531333816 1107777032 /nfs/dbraw/zinc/77/70/32/1107777032.db2.gz NHAGRSZXSLVPPM-SFHVURJKSA-N 1 0 363.845 4.109 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-] ZINC000531443946 1107903508 /nfs/dbraw/zinc/90/35/08/1107903508.db2.gz XRAWLAWRZZIAGK-GUYCJALGSA-N 1 0 373.840 4.013 20 5 FIBDRO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@@H]1c1ccccc1 ZINC000444651930 1108048608 /nfs/dbraw/zinc/04/86/08/1108048608.db2.gz QKKTYNAHAGSCQD-YOEHRIQHSA-N 1 0 350.422 4.097 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3(c4ccc(F)cc4)CCCC3)nc2c1 ZINC000444668218 1108070426 /nfs/dbraw/zinc/07/04/26/1108070426.db2.gz ZEJXFHVJCLYTRI-UHFFFAOYSA-N 1 0 354.385 4.169 20 5 FIBDRO COc1ccccc1N1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000531707603 1108086176 /nfs/dbraw/zinc/08/61/76/1108086176.db2.gz NAFMQDVTGYEZSG-MRXNPFEDSA-N 1 0 369.465 4.231 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000520240971 1108116558 /nfs/dbraw/zinc/11/65/58/1108116558.db2.gz YGJPOUBNGSEVCR-SFHVURJKSA-N 1 0 374.485 4.069 20 5 FIBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000444766975 1108163046 /nfs/dbraw/zinc/16/30/46/1108163046.db2.gz QGEURXYWBVCPDC-JTQLQIEISA-N 1 0 371.256 4.148 20 5 FIBDRO C[C@H](C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000237577571 1108174427 /nfs/dbraw/zinc/17/44/27/1108174427.db2.gz ZJIITTYNNQCXPU-CQSZACIVSA-N 1 0 373.428 4.099 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCCC2CCOCC2)c2ccccc2)c1 ZINC000453226047 1108296858 /nfs/dbraw/zinc/29/68/58/1108296858.db2.gz DLFZTKCFCJJQJX-OAQYLSRUSA-N 1 0 354.450 4.481 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCC2CCOCC2)c2ccccc2)c1 ZINC000453226045 1108297172 /nfs/dbraw/zinc/29/71/72/1108297172.db2.gz DLFZTKCFCJJQJX-NRFANRHFSA-N 1 0 354.450 4.481 20 5 FIBDRO C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000453228658 1108300171 /nfs/dbraw/zinc/30/01/71/1108300171.db2.gz AUWHDDGCRKYSTL-GUMYABAYSA-N 1 0 365.477 4.441 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1c(F)cccc1-n1cccn1)CCC2 ZINC000453376367 1108496680 /nfs/dbraw/zinc/49/66/80/1108496680.db2.gz WVVHSDOZNKLMCB-LJQANCHMSA-N 1 0 366.396 4.087 20 5 FIBDRO Cc1ccc([C@@H]2CSCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000523860107 1108611729 /nfs/dbraw/zinc/61/17/29/1108611729.db2.gz AZVWENDFFLMREY-SFHVURJKSA-N 1 0 358.463 4.072 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](c1c(F)cccc1F)N(C)C ZINC000532222257 1108719917 /nfs/dbraw/zinc/71/99/17/1108719917.db2.gz HCQBABULQQCXAR-ACJLOTCBSA-N 1 0 363.408 4.135 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000532246716 1108725976 /nfs/dbraw/zinc/72/59/76/1108725976.db2.gz OGADFIGTSVAOSY-UONOGXRCSA-N 1 0 361.392 4.111 20 5 FIBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532244184 1108734138 /nfs/dbraw/zinc/73/41/38/1108734138.db2.gz XIRHIXTVWMNIEQ-TZIWHRDSSA-N 1 0 365.477 4.081 20 5 FIBDRO COc1ccc(CN2CCS[C@@H](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000524037098 1108768627 /nfs/dbraw/zinc/76/86/27/1108768627.db2.gz UHLYSHINKSFVQG-LIRRHRJNSA-N 1 0 358.463 4.282 20 5 FIBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CN1C1CC1 ZINC000237485144 1108782672 /nfs/dbraw/zinc/78/26/72/1108782672.db2.gz CHKZNZLHVSEEDJ-ZIAGYGMSSA-N 1 0 357.479 4.038 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2ccc3ncccc3c2)c1 ZINC000192980816 1108797871 /nfs/dbraw/zinc/79/78/71/1108797871.db2.gz FDRMPNJWGXOUEU-UHFFFAOYSA-N 1 0 359.332 4.034 20 5 FIBDRO CCC[NH+](CCC)CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000524250622 1108925309 /nfs/dbraw/zinc/92/53/09/1108925309.db2.gz OMGRCKYPZVFJDS-UHFFFAOYSA-N 1 0 363.483 4.051 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000524425117 1109000783 /nfs/dbraw/zinc/00/07/83/1109000783.db2.gz DFBOOOYPBXELGD-UHFFFAOYSA-N 1 0 354.450 4.066 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000445991623 1109072461 /nfs/dbraw/zinc/07/24/61/1109072461.db2.gz HKJOHPTVEWMPME-RBUKOAKNSA-N 1 0 367.449 4.158 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000447085379 1109431630 /nfs/dbraw/zinc/43/16/30/1109431630.db2.gz IISLYUCRRBZBEJ-NTCAYCPXSA-N 1 0 371.412 4.076 20 5 FIBDRO Cc1ccccc1C[C@H](C)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000447402685 1109534957 /nfs/dbraw/zinc/53/49/57/1109534957.db2.gz ADLCOLMDZAAQDR-HNNXBMFYSA-N 1 0 366.421 4.016 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cccc(C(F)(F)F)c2)n1 ZINC000447513512 1109566643 /nfs/dbraw/zinc/56/66/43/1109566643.db2.gz WXMHGBMHZBAOQP-CABCVRRESA-N 1 0 368.359 4.084 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NC1CC[NH+](C3CCCCC3)CC1)CCC2 ZINC000447560513 1109581598 /nfs/dbraw/zinc/58/15/98/1109581598.db2.gz DMFJKBFOURGCAH-OAQYLSRUSA-N 1 0 357.498 4.359 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C(F)F)cc2)n1 ZINC000447603459 1109599949 /nfs/dbraw/zinc/59/99/49/1109599949.db2.gz XQWLRLLHWQGNFQ-HUUCEWRRSA-N 1 0 350.369 4.002 20 5 FIBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCC(C(F)(F)F)CC1 ZINC000527518075 1109772641 /nfs/dbraw/zinc/77/26/41/1109772641.db2.gz ASBMPGPHBLWJFO-HSBZDZAISA-N 1 0 360.376 4.320 20 5 FIBDRO Cc1ccccc1CN1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449087068 1109971248 /nfs/dbraw/zinc/97/12/48/1109971248.db2.gz DFTKIEXKNKFFOI-GOSISDBHSA-N 1 0 367.493 4.088 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000449215185 1109998854 /nfs/dbraw/zinc/99/88/54/1109998854.db2.gz MXDLFOCRJXKEKP-FUHIMQAGSA-N 1 0 354.450 4.283 20 5 FIBDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000449347895 1110036830 /nfs/dbraw/zinc/03/68/30/1110036830.db2.gz JNRARWILLQJSKZ-HOTGVXAUSA-N 1 0 355.438 4.280 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OCC(C)C ZINC000449348247 1110037253 /nfs/dbraw/zinc/03/72/53/1110037253.db2.gz KVZUUXFEJWHYNW-HNNXBMFYSA-N 1 0 358.438 4.489 20 5 FIBDRO CC(C)(C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000449391577 1110054887 /nfs/dbraw/zinc/05/48/87/1110054887.db2.gz FRIUZVWPFSWCFF-FUHWJXTLSA-N 1 0 353.466 4.268 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000449544068 1110101394 /nfs/dbraw/zinc/10/13/94/1110101394.db2.gz VGPGPZFRBBWREN-PXNSSMCTSA-N 1 0 355.438 4.123 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3cnc(C)cc3C)o2)c([N+](=O)[O-])c1 ZINC000449733783 1110158350 /nfs/dbraw/zinc/15/83/50/1110158350.db2.gz JZIUABHRFVEUBF-UHFFFAOYSA-N 1 0 367.405 4.165 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](CCCO)C2)ccc1Oc1ccc(F)cc1 ZINC000449790867 1110172839 /nfs/dbraw/zinc/17/28/39/1110172839.db2.gz MOTSLOFUOLOPSG-HNNXBMFYSA-N 1 0 374.412 4.121 20 5 FIBDRO C[C@@H](Nc1nccc2c1cccc2[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450433745 1110296938 /nfs/dbraw/zinc/29/69/38/1110296938.db2.gz LLHLLSGIKOVXPX-CABCVRRESA-N 1 0 354.454 4.208 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)s1 ZINC000129969323 1110319000 /nfs/dbraw/zinc/31/90/00/1110319000.db2.gz CWIWWZMDFZYJKO-CQSZACIVSA-N 1 0 358.463 4.324 20 5 FIBDRO Cc1cc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1F ZINC000538321073 1111089834 /nfs/dbraw/zinc/08/98/34/1111089834.db2.gz XWRWPSOPSVOHSB-DJJJIMSYSA-N 1 0 371.412 4.110 20 5 FIBDRO Cc1cc([C@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C2CC2)ccc1F ZINC000538323546 1111091270 /nfs/dbraw/zinc/09/12/70/1111091270.db2.gz PTPNVMZVGNURSJ-BFUOFWGJSA-N 1 0 371.412 4.110 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000538378281 1111114721 /nfs/dbraw/zinc/11/47/21/1111114721.db2.gz RKMDSPKPIZGBNJ-OMUFJYGLSA-N 1 0 366.417 4.120 20 5 FIBDRO C[C@H](CCO)C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC000538445070 1111134493 /nfs/dbraw/zinc/13/44/93/1111134493.db2.gz CCFGBXFMGZSBLO-OAHLLOKOSA-N 1 0 358.438 4.133 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@]4(CCCOC4)C3)o2)c1 ZINC000538718896 1111260919 /nfs/dbraw/zinc/26/09/19/1111260919.db2.gz VNSFZLZMSAGISC-FQEVSTJZSA-N 1 0 356.422 4.247 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[N@H+](CCCCO)C2CC2)cc1[N+](=O)[O-] ZINC000538731024 1111268026 /nfs/dbraw/zinc/26/80/26/1111268026.db2.gz PFQKHALCULRMRY-UHFFFAOYSA-N 1 0 369.465 4.100 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(OCC3CC3)CC2)o1 ZINC000538752511 1111282284 /nfs/dbraw/zinc/28/22/84/1111282284.db2.gz RLPCKGGDXXJVHN-UHFFFAOYSA-N 1 0 356.422 4.246 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000539055885 1111403225 /nfs/dbraw/zinc/40/32/25/1111403225.db2.gz MSUJWXJGRFUFCU-UQASEVPWSA-N 1 0 369.465 4.090 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000539058889 1111404513 /nfs/dbraw/zinc/40/45/13/1111404513.db2.gz MYZNMZGGAXXAOC-LBPRGKRZSA-N 1 0 369.343 4.047 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000539058254 1111405097 /nfs/dbraw/zinc/40/50/97/1111405097.db2.gz PUHXCPVOKXTAAU-HPUBIQBYSA-N 1 0 362.470 4.454 20 5 FIBDRO CCSc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000539303839 1111513287 /nfs/dbraw/zinc/51/32/87/1111513287.db2.gz OKAVDRDEXZHSEG-AWEZNQCLSA-N 1 0 373.478 4.305 20 5 FIBDRO C[C@@H](O)[C@](C)(C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000477844182 1111572156 /nfs/dbraw/zinc/57/21/56/1111572156.db2.gz BCWDSUGTAHYZSE-HMFYCAOWSA-N 1 0 370.493 4.135 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000477857352 1111579993 /nfs/dbraw/zinc/57/99/93/1111579993.db2.gz RJKJUXZHVJAKNV-FVJLSDCUSA-N 1 0 356.466 4.184 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000477930114 1111605119 /nfs/dbraw/zinc/60/51/19/1111605119.db2.gz MZYZFEHDVZHONI-FQELHTAISA-N 1 0 370.449 4.422 20 5 FIBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Cl)c(Cl)c1 ZINC000478429244 1111774305 /nfs/dbraw/zinc/77/43/05/1111774305.db2.gz CMWZDCQZSOFUCH-UHFFFAOYSA-N 1 0 357.241 4.009 20 5 FIBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000553991265 1112153967 /nfs/dbraw/zinc/15/39/67/1112153967.db2.gz GVYASBISHOAKJE-KRWDZBQOSA-N 1 0 359.451 4.068 20 5 FIBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000553988160 1112160786 /nfs/dbraw/zinc/16/07/86/1112160786.db2.gz XXCYNMKQCNIAEY-QGZVFWFLSA-N 1 0 359.451 4.068 20 5 FIBDRO COc1cccc([C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)N2CCCC2)c1 ZINC000480082221 1112278509 /nfs/dbraw/zinc/27/85/09/1112278509.db2.gz FHYFFZXDRYIAMO-IIBYNOLFSA-N 1 0 369.465 4.091 20 5 FIBDRO Cc1ccc([C@H](C)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000480282592 1112373055 /nfs/dbraw/zinc/37/30/55/1112373055.db2.gz XLMXYIKAELHJDX-PXNSSMCTSA-N 1 0 353.466 4.391 20 5 FIBDRO CCCOc1c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cccc1OCC ZINC000480452511 1112428894 /nfs/dbraw/zinc/42/88/94/1112428894.db2.gz HKBVPHHGZPXJNU-UHFFFAOYSA-N 1 0 358.438 4.381 20 5 FIBDRO CCOc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc(Cl)c1OC ZINC000480452992 1112430250 /nfs/dbraw/zinc/43/02/50/1112430250.db2.gz JDZXBQLDZZFPAQ-UHFFFAOYSA-N 1 0 364.829 4.254 20 5 FIBDRO Cc1c(C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000480454012 1112430270 /nfs/dbraw/zinc/43/02/70/1112430270.db2.gz GNIJCKBGPKEAKI-UHFFFAOYSA-N 1 0 356.813 4.237 20 5 FIBDRO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000480481063 1112441142 /nfs/dbraw/zinc/44/11/42/1112441142.db2.gz UDKBJNZFJHFTLH-UHFFFAOYSA-N 1 0 370.840 4.341 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCO[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000480714032 1112565670 /nfs/dbraw/zinc/56/56/70/1112565670.db2.gz ZZBKMLQQPRCXHK-URLQWDBASA-N 1 0 350.459 4.238 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1ccc(N(CC)CC)nc1)c1cccc([N+](=O)[O-])c1 ZINC000480894134 1112659351 /nfs/dbraw/zinc/65/93/51/1112659351.db2.gz DMIXYEXQIOCOKZ-LJQANCHMSA-N 1 0 356.470 4.467 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000481286267 1112858012 /nfs/dbraw/zinc/85/80/12/1112858012.db2.gz OLTQEGIRDRDKLU-FQEVSTJZSA-N 1 0 367.449 4.363 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000600204816 1112927525 /nfs/dbraw/zinc/92/75/25/1112927525.db2.gz LZUDGTCHKUEPLT-UHFFFAOYSA-N 1 0 370.453 4.008 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CCC[C@H]2F)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000555645138 1112956055 /nfs/dbraw/zinc/95/60/55/1112956055.db2.gz RBEVZOGDYFWBMC-MSOLQXFVSA-N 1 0 374.412 4.163 20 5 FIBDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000159893681 1113258915 /nfs/dbraw/zinc/25/89/15/1113258915.db2.gz DYLNCLVMLHIVNQ-HNNXBMFYSA-N 1 0 355.438 4.493 20 5 FIBDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000159902029 1113264151 /nfs/dbraw/zinc/26/41/51/1113264151.db2.gz VWZNWXLJGZNIGJ-HNNXBMFYSA-N 1 0 355.438 4.493 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](c4ccccc4)CC3)nc2c1 ZINC000482699600 1113335454 /nfs/dbraw/zinc/33/54/54/1113335454.db2.gz YFEDQMMXPPHJCD-MRXNPFEDSA-N 1 0 350.422 4.241 20 5 FIBDRO COc1cnccc1[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000249184369 1113388582 /nfs/dbraw/zinc/38/85/82/1113388582.db2.gz JYXULMSTZVZYQM-MPGHIAIKSA-N 1 0 355.438 4.060 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2c(F)cccc2F)N(C)C)cc1[N+](=O)[O-] ZINC000483138247 1113446133 /nfs/dbraw/zinc/44/61/33/1113446133.db2.gz AFABCVAEVSFIGI-ACJLOTCBSA-N 1 0 363.408 4.135 20 5 FIBDRO O=[N+]([O-])c1ccc(CN(Cc2ccc(Br)o2)C2CC2)cc1 ZINC000483173892 1113457988 /nfs/dbraw/zinc/45/79/88/1113457988.db2.gz CVRAKVIZIUPWDI-UHFFFAOYSA-N 1 0 351.200 4.115 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccnc(Oc3ccccc3F)c2)c1 ZINC000486801192 1113651970 /nfs/dbraw/zinc/65/19/70/1113651970.db2.gz LXXWBNWGUYXXNF-UHFFFAOYSA-N 1 0 353.353 4.211 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000486863018 1113663016 /nfs/dbraw/zinc/66/30/16/1113663016.db2.gz BRQFUEXOBWBGOF-DOTOQJQBSA-N 1 0 356.422 4.125 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000150325042 1113902492 /nfs/dbraw/zinc/90/24/92/1113902492.db2.gz KDHGVXXPUAMIPW-CQSZACIVSA-N 1 0 359.401 4.064 20 5 FIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)n1 ZINC000488759685 1113987597 /nfs/dbraw/zinc/98/75/97/1113987597.db2.gz CBIWRRSZVCKNPU-UHFFFAOYSA-N 1 0 360.417 4.198 20 5 FIBDRO Cc1c(C)c(C)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)c1C ZINC000489020961 1114035240 /nfs/dbraw/zinc/03/52/40/1114035240.db2.gz YKTTXHAWBRPNDS-UHFFFAOYSA-N 1 0 356.470 4.171 20 5 FIBDRO COc1ccc(C[NH2+]C[C@@H]2CC2(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000489077640 1114045716 /nfs/dbraw/zinc/04/57/16/1114045716.db2.gz KKAJVADRAXLAGS-KRWDZBQOSA-N 1 0 370.449 4.318 20 5 FIBDRO Cc1c(F)cccc1NC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490816924 1114338007 /nfs/dbraw/zinc/33/80/07/1114338007.db2.gz FJSXHARCYKFTDN-UHFFFAOYSA-N 1 0 371.412 4.036 20 5 FIBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)C1 ZINC000054794174 1114389608 /nfs/dbraw/zinc/38/96/08/1114389608.db2.gz LUFQKLIJWIXFIS-AWEZNQCLSA-N 1 0 371.412 4.218 20 5 FIBDRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000055465838 1114473829 /nfs/dbraw/zinc/47/38/29/1114473829.db2.gz PFNZRSAYZHXTKH-MRXNPFEDSA-N 1 0 367.449 4.072 20 5 FIBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000571603167 1114483233 /nfs/dbraw/zinc/48/32/33/1114483233.db2.gz WBRZDKNVPMJZKR-IBGZPJMESA-N 1 0 360.479 4.450 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3COc4ccccc43)o2)c1 ZINC000588934322 1114676759 /nfs/dbraw/zinc/67/67/59/1114676759.db2.gz PPKBQFSTLWGNCB-OAHLLOKOSA-N 1 0 350.374 4.121 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cnc(C4CCC4)s3)c2c1 ZINC000588933609 1114676978 /nfs/dbraw/zinc/67/69/78/1114676978.db2.gz CGOSIZVILBFTFY-UHFFFAOYSA-N 1 0 356.451 4.132 20 5 FIBDRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cc2ccccc2c2cccnc12 ZINC000589078854 1114699097 /nfs/dbraw/zinc/69/90/97/1114699097.db2.gz NXQRUHFCOPWOOO-UHFFFAOYSA-N 1 0 365.396 4.221 20 5 FIBDRO C[C@]1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)OCCc2sccc21 ZINC000572892612 1114804370 /nfs/dbraw/zinc/80/43/70/1114804370.db2.gz KUYLVUCZXXAQKB-YLJYHZDGSA-N 1 0 372.490 4.055 20 5 FIBDRO Cc1ccccc1C(C)(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000590192642 1114905635 /nfs/dbraw/zinc/90/56/35/1114905635.db2.gz LQDALATVGKGOSO-UHFFFAOYSA-N 1 0 361.829 4.020 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000057555216 1114949301 /nfs/dbraw/zinc/94/93/01/1114949301.db2.gz KAOXWIWKBMVVBN-LSDHHAIUSA-N 1 0 363.417 4.426 20 5 FIBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000590967163 1114997757 /nfs/dbraw/zinc/99/77/57/1114997757.db2.gz AKHMUEOYRSMFSZ-TXEJJXNPSA-N 1 0 360.797 4.204 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@@H]2CCCC[C@@H]21 ZINC001168400987 1115107371 /nfs/dbraw/zinc/10/73/71/1115107371.db2.gz GMKAWOOGORHIOG-MRVWCRGKSA-N 1 0 353.260 4.368 20 5 FIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc2)C1 ZINC000046156238 1115192727 /nfs/dbraw/zinc/19/27/27/1115192727.db2.gz ADUNEBXFRGQFGJ-CYBMUJFWSA-N 1 0 359.451 4.141 20 5 FIBDRO Cc1cc(F)ccc1C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592133131 1115205721 /nfs/dbraw/zinc/20/57/21/1115205721.db2.gz SXYBBBAEVOWSPU-MXVIHJGJSA-N 1 0 372.440 4.348 20 5 FIBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000593870866 1115352388 /nfs/dbraw/zinc/35/23/88/1115352388.db2.gz FEYMMGXXCYAKDK-IAGOWNOFSA-N 1 0 361.489 4.381 20 5 FIBDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594496647 1115449656 /nfs/dbraw/zinc/44/96/56/1115449656.db2.gz QEIZNYIRCLSUSF-XOBRGWDASA-N 1 0 362.433 4.427 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H](C3CC3)[C@@H]3CCCCO3)cs2)c1 ZINC000594509470 1115456507 /nfs/dbraw/zinc/45/65/07/1115456507.db2.gz ISVARTBNRFDDNR-ROUUACIJSA-N 1 0 373.478 4.156 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H](C3CC3)[C@H]3CCCCO3)cs2)c1 ZINC000594509468 1115456821 /nfs/dbraw/zinc/45/68/21/1115456821.db2.gz ISVARTBNRFDDNR-QZTJIDSGSA-N 1 0 373.478 4.156 20 5 FIBDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000594518524 1115458216 /nfs/dbraw/zinc/45/82/16/1115458216.db2.gz HHQRMGZFQMDXFI-MOPGFXCFSA-N 1 0 368.433 4.484 20 5 FIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000594518923 1115458700 /nfs/dbraw/zinc/45/87/00/1115458700.db2.gz RAHQTKXAIYQLGM-STQMWFEESA-N 1 0 369.412 4.116 20 5 FIBDRO Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000594740389 1115480347 /nfs/dbraw/zinc/48/03/47/1115480347.db2.gz XSOUVVCFSDSZAE-XPGWFJOJSA-N 1 0 351.450 4.165 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000595010679 1115503422 /nfs/dbraw/zinc/50/34/22/1115503422.db2.gz DGPCVOZTOCVKRQ-CABCVRRESA-N 1 0 366.421 4.201 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cc(Br)cs1 ZINC000595012449 1115503675 /nfs/dbraw/zinc/50/36/75/1115503675.db2.gz OIOVSFAUJZKCRR-SECBINFHSA-N 1 0 371.256 4.278 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000595015505 1115504265 /nfs/dbraw/zinc/50/42/65/1115504265.db2.gz YSFKFIAFZGXHHI-LSDHHAIUSA-N 1 0 366.421 4.201 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000595009733 1115507746 /nfs/dbraw/zinc/50/77/46/1115507746.db2.gz VRSLXBRPKHIJHP-NSHDSACASA-N 1 0 365.227 4.217 20 5 FIBDRO COC[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cccc(OC)c1 ZINC000595066612 1115509484 /nfs/dbraw/zinc/50/94/84/1115509484.db2.gz IXDSPCFFAMZMPJ-UXHICEINSA-N 1 0 370.449 4.303 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]Cc2cccnc2N2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000595071114 1115509822 /nfs/dbraw/zinc/50/98/22/1115509822.db2.gz PDVJNZDCRALZPL-LJQANCHMSA-N 1 0 366.465 4.102 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1noc2ccccc21 ZINC000595050652 1115512155 /nfs/dbraw/zinc/51/21/55/1115512155.db2.gz TZVOGHAIVOPLLJ-AWEZNQCLSA-N 1 0 371.462 4.439 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCc2cnccc2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595075821 1115517176 /nfs/dbraw/zinc/51/71/76/1115517176.db2.gz ZECVGLMBQYXCOV-OAQYLSRUSA-N 1 0 365.433 4.375 20 5 FIBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000595361316 1115533902 /nfs/dbraw/zinc/53/39/02/1115533902.db2.gz ROIAVKYYUHTNDO-UHFFFAOYSA-N 1 0 372.396 4.064 20 5 FIBDRO O=[N+]([O-])c1cc(F)ccc1CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000595425704 1115535316 /nfs/dbraw/zinc/53/53/16/1115535316.db2.gz KJPNEQXRIZOKLB-IBGZPJMESA-N 1 0 357.429 4.051 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H]3CCCC34CCCCC4)o2)cc1 ZINC000595606223 1115553049 /nfs/dbraw/zinc/55/30/49/1115553049.db2.gz VJDGPHMIWTWZPU-MRXNPFEDSA-N 1 0 356.426 4.237 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000595785781 1115563564 /nfs/dbraw/zinc/56/35/64/1115563564.db2.gz GOEDNUXTPJCPJZ-GUYCJALGSA-N 1 0 372.387 4.395 20 5 FIBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC(F)(F)F ZINC000596063546 1115572922 /nfs/dbraw/zinc/57/29/22/1115572922.db2.gz NMMZUBFXQBLJMP-UHFFFAOYSA-N 1 0 356.291 4.264 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000597217314 1115648602 /nfs/dbraw/zinc/64/86/02/1115648602.db2.gz CCNUMFMZKYYEOH-WNJRYGEDSA-N 1 0 368.433 4.445 20 5 FIBDRO CC(=O)N1CC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000598678138 1115744147 /nfs/dbraw/zinc/74/41/47/1115744147.db2.gz NJOXXWIJPCUODH-HXUWFJFHSA-N 1 0 367.449 4.005 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC1CC1 ZINC000598963677 1115771527 /nfs/dbraw/zinc/77/15/27/1115771527.db2.gz BGPMOKKSKFQOGS-AWEZNQCLSA-N 1 0 356.422 4.304 20 5 FIBDRO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000603442335 1115773211 /nfs/dbraw/zinc/77/32/11/1115773211.db2.gz AZZUCIZFLGNHTJ-MRXNPFEDSA-N 1 0 367.449 4.110 20 5 FIBDRO COc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1OC1CC1 ZINC000598980198 1115775582 /nfs/dbraw/zinc/77/55/82/1115775582.db2.gz KDEHCNDZZKBJOE-UHFFFAOYSA-N 1 0 356.422 4.170 20 5 FIBDRO C[NH+](C)C[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000598998948 1115776092 /nfs/dbraw/zinc/77/60/92/1115776092.db2.gz ZJSAJPKHFWFAJX-KRWDZBQOSA-N 1 0 368.264 4.294 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)o2)c(Cl)c1 ZINC000599008184 1115776504 /nfs/dbraw/zinc/77/65/04/1115776504.db2.gz VOKFCENJWBBZIA-KPZWWZAWSA-N 1 0 362.813 4.165 20 5 FIBDRO CCC[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599059286 1115785235 /nfs/dbraw/zinc/78/52/35/1115785235.db2.gz ZZZFDBABEXGWMN-HUUCEWRRSA-N 1 0 356.348 4.026 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000593716299 1115802945 /nfs/dbraw/zinc/80/29/45/1115802945.db2.gz PLINWRSXNVFFKE-APWZRJJASA-N 1 0 364.511 4.260 20 5 FIBDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000603839054 1115818181 /nfs/dbraw/zinc/81/81/81/1115818181.db2.gz KJJDJGKWRDOPDO-LJQANCHMSA-N 1 0 356.422 4.258 20 5 FIBDRO Cc1c(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)cccc1[N+](=O)[O-] ZINC000603850632 1115821220 /nfs/dbraw/zinc/82/12/20/1115821220.db2.gz NWORKTCBMNINRH-UHFFFAOYSA-N 1 0 362.376 4.225 20 5 FIBDRO COc1ccc([C@H]2CCC[N@@H+]2CCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000604012516 1115840948 /nfs/dbraw/zinc/84/09/48/1115840948.db2.gz KZXIZKRWSUCSQK-HXUWFJFHSA-N 1 0 356.422 4.209 20 5 FIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521708 1115867263 /nfs/dbraw/zinc/86/72/63/1115867263.db2.gz VEZKWMBZQUUUKT-CTNGQTDRSA-N 1 0 354.450 4.237 20 5 FIBDRO COc1cccc(C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000604525160 1115867293 /nfs/dbraw/zinc/86/72/93/1115867293.db2.gz CBKALSVLZFOZSA-UHFFFAOYSA-N 1 0 370.449 4.252 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000594020135 1115962215 /nfs/dbraw/zinc/96/22/15/1115962215.db2.gz VOULUOXXSVGLOT-OAHLLOKOSA-N 1 0 362.433 4.479 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000594035331 1115971308 /nfs/dbraw/zinc/97/13/08/1115971308.db2.gz QKAYFRWXZHJQLA-UHFFFAOYSA-N 1 0 352.312 4.272 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC000594035402 1115971886 /nfs/dbraw/zinc/97/18/86/1115971886.db2.gz SIJSBPYBVXDPKT-UHFFFAOYSA-N 1 0 352.312 4.272 20 5 FIBDRO CC(C)[C@H](c1ccccc1)[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172903582 1116002572 /nfs/dbraw/zinc/00/25/72/1116002572.db2.gz MKHIOSWPECHRCB-HXUWFJFHSA-N 1 0 365.437 4.140 20 5 FIBDRO C[C@@]1(c2ccccc2)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534108680 1116161322 /nfs/dbraw/zinc/16/13/22/1116161322.db2.gz KYAPHSVMBGKATB-OAQYLSRUSA-N 1 0 363.417 4.413 20 5 FIBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)ccc21 ZINC000456270282 1116173455 /nfs/dbraw/zinc/17/34/55/1116173455.db2.gz KEUPCJMDRRZLMB-QGZVFWFLSA-N 1 0 365.389 4.142 20 5 FIBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc21 ZINC000456283435 1116176783 /nfs/dbraw/zinc/17/67/83/1116176783.db2.gz SRTDOFMMACVBDK-QGZVFWFLSA-N 1 0 359.813 4.049 20 5 FIBDRO CSc1cccc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000456308050 1116177766 /nfs/dbraw/zinc/17/77/66/1116177766.db2.gz JAJIWMVSNXJSGQ-MRXNPFEDSA-N 1 0 371.462 4.118 20 5 FIBDRO O=[N+]([O-])c1ccc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)c(F)c1 ZINC000491227310 1116204465 /nfs/dbraw/zinc/20/44/65/1116204465.db2.gz BJBQLGDWANKIHH-GOSISDBHSA-N 1 0 362.376 4.054 20 5 FIBDRO CN1Cc2ccccc2[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000534531194 1116211025 /nfs/dbraw/zinc/21/10/25/1116211025.db2.gz OXVDKKFRDTWJFH-FQEVSTJZSA-N 1 0 363.417 4.131 20 5 FIBDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CCc4ccc([N+](=O)[O-])cc4)C3)nc2c1 ZINC000534952029 1116255561 /nfs/dbraw/zinc/25/55/61/1116255561.db2.gz SHCMFTSSVDOAJB-KRWDZBQOSA-N 1 0 364.449 4.202 20 5 FIBDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000535207654 1116281467 /nfs/dbraw/zinc/28/14/67/1116281467.db2.gz SUZONTRMMMLYQG-QGZVFWFLSA-N 1 0 368.412 4.057 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000535253328 1116287411 /nfs/dbraw/zinc/28/74/11/1116287411.db2.gz SLDFMTYVGCXGPE-LBPRGKRZSA-N 1 0 356.357 4.100 20 5 FIBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCC2 ZINC000089909908 1116351787 /nfs/dbraw/zinc/35/17/87/1116351787.db2.gz NFJULJVCPGNJHT-ZWKOTPCHSA-N 1 0 371.437 4.029 20 5 FIBDRO CCC1(O)CC[NH+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000539817542 1116384489 /nfs/dbraw/zinc/38/44/89/1116384489.db2.gz KHUYKUDDWCRCFF-UHFFFAOYSA-N 1 0 369.465 4.100 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]C(C)(C)CCO)cc2[N+](=O)[O-])cc1 ZINC000462732349 1117740418 /nfs/dbraw/zinc/74/04/18/1117740418.db2.gz YKWWPLKLOLWRNR-UHFFFAOYSA-N 1 0 360.479 4.305 20 5 FIBDRO CC(C)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000539899598 1117741017 /nfs/dbraw/zinc/74/10/17/1117741017.db2.gz GXFLGOZHHPMGPQ-YLJYHZDGSA-N 1 0 357.498 4.167 20 5 FIBDRO COc1ccccc1O[C@H](C)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000462738539 1117743595 /nfs/dbraw/zinc/74/35/95/1117743595.db2.gz LGUYZOHLPSWYRX-OAHLLOKOSA-N 1 0 358.438 4.284 20 5 FIBDRO C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C[C@@H]1CCC[C@H]1O ZINC000539912644 1117749559 /nfs/dbraw/zinc/74/95/59/1117749559.db2.gz FFFUGWPMAHLDCP-HNAYVOBHSA-N 1 0 374.412 4.119 20 5 FIBDRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000539928290 1117753033 /nfs/dbraw/zinc/75/30/33/1117753033.db2.gz WSIZUKLVOWMWAX-BSDKJSHOSA-N 1 0 360.454 4.052 20 5 FIBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000462763849 1117753989 /nfs/dbraw/zinc/75/39/89/1117753989.db2.gz PNFABWLZYIAIKE-MOPGFXCFSA-N 1 0 356.422 4.292 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCC[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000462757100 1117757021 /nfs/dbraw/zinc/75/70/21/1117757021.db2.gz XNCZPSNIDVJAOV-LEWJYISDSA-N 1 0 369.465 4.003 20 5 FIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000539992828 1117790661 /nfs/dbraw/zinc/79/06/61/1117790661.db2.gz HGXXDADKQXZLID-UMVBOHGHSA-N 1 0 369.412 4.038 20 5 FIBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CCCCC1 ZINC000462926174 1117863210 /nfs/dbraw/zinc/86/32/10/1117863210.db2.gz CYLFSDDFZWNCGG-HNNXBMFYSA-N 1 0 357.401 4.119 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(NC(=O)C(C)C)cc1 ZINC000540119757 1117880456 /nfs/dbraw/zinc/88/04/56/1117880456.db2.gz QVGBJDHLWYMMSG-OAHLLOKOSA-N 1 0 355.438 4.349 20 5 FIBDRO COc1ccc(OC)c(CCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000540147854 1117899036 /nfs/dbraw/zinc/89/90/36/1117899036.db2.gz YHADOFXRLCJZIV-HNNXBMFYSA-N 1 0 358.438 4.204 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CCOc2cccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000540151279 1117906269 /nfs/dbraw/zinc/90/62/69/1117906269.db2.gz MFGLPGAYUKKTNX-GFCCVEGCSA-N 1 0 369.343 4.047 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)cc1 ZINC000540189517 1117920849 /nfs/dbraw/zinc/92/08/49/1117920849.db2.gz DINPXPDZKNNNAZ-MRXNPFEDSA-N 1 0 365.202 4.274 20 5 FIBDRO CCC[C@@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1cccc([N+](=O)[O-])c1 ZINC000540183397 1117926168 /nfs/dbraw/zinc/92/61/68/1117926168.db2.gz HMMGYOGVPNJKSF-QGZVFWFLSA-N 1 0 370.428 4.294 20 5 FIBDRO C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540220421 1117950410 /nfs/dbraw/zinc/95/04/10/1117950410.db2.gz VMFYBZXBFJHEFQ-FPJCUDJDSA-N 1 0 366.508 4.131 20 5 FIBDRO CCC[C@H]([NH2+]C1CCC(c2nc(C)no2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000540222481 1117951412 /nfs/dbraw/zinc/95/14/12/1117951412.db2.gz RWMVHIJJICYVQM-PVARCSIZSA-N 1 0 358.442 4.443 20 5 FIBDRO C[C@@H]([NH2+]CCOc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000540375747 1118011039 /nfs/dbraw/zinc/01/10/39/1118011039.db2.gz JSRNMZMDVOCAIJ-GFCCVEGCSA-N 1 0 365.227 4.087 20 5 FIBDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000540361808 1118014260 /nfs/dbraw/zinc/01/42/60/1118014260.db2.gz AJSIKAFQBWEMPY-OAHLLOKOSA-N 1 0 371.437 4.061 20 5 FIBDRO C[C@@H](c1ccccc1)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000463233148 1118054427 /nfs/dbraw/zinc/05/44/27/1118054427.db2.gz XJRTZTJLCHNEMF-KRWDZBQOSA-N 1 0 350.422 4.055 20 5 FIBDRO CN(C(=O)C[NH2+][C@H](c1cccc(F)c1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000540432899 1118061778 /nfs/dbraw/zinc/06/17/78/1118061778.db2.gz HYMYPLHDSQEHFV-LJQANCHMSA-N 1 0 373.428 4.074 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463275192 1118074855 /nfs/dbraw/zinc/07/48/55/1118074855.db2.gz ULMWEHFLNNZCBH-UHFFFAOYSA-N 1 0 359.857 4.049 20 5 FIBDRO C[C@@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC[N@@H+]1C ZINC000540610968 1118150543 /nfs/dbraw/zinc/15/05/43/1118150543.db2.gz YVKWQWNKCHLRIJ-OLZOCXBDSA-N 1 0 363.845 4.081 20 5 FIBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000540628862 1118158631 /nfs/dbraw/zinc/15/86/31/1118158631.db2.gz DWSKHYPLUZNHPA-VXGBXAGGSA-N 1 0 350.802 4.165 20 5 FIBDRO CC[NH+](CC)CC1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000540647803 1118172799 /nfs/dbraw/zinc/17/27/99/1118172799.db2.gz XAKYMERALDKWHB-UHFFFAOYSA-N 1 0 356.470 4.010 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2nc(-c3ccccn3)cs2)cc1[N+](=O)[O-] ZINC000090044325 1118221614 /nfs/dbraw/zinc/22/16/14/1118221614.db2.gz GTTNSFNUQSMVQN-CQSZACIVSA-N 1 0 368.462 4.315 20 5 FIBDRO CCCC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000460347663 1118359171 /nfs/dbraw/zinc/35/91/71/1118359171.db2.gz NXCPWYIRKDACMO-SWLSCSKDSA-N 1 0 353.850 4.135 20 5 FIBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000460347662 1118361319 /nfs/dbraw/zinc/36/13/19/1118361319.db2.gz NXCPWYIRKDACMO-IUODEOHRSA-N 1 0 353.850 4.135 20 5 FIBDRO CCC1(CC)C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCS1 ZINC000464583534 1118615430 /nfs/dbraw/zinc/61/54/30/1118615430.db2.gz TVWSDKWQYAYRGW-UHFFFAOYSA-N 1 0 361.467 4.357 20 5 FIBDRO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cc1OC(F)F ZINC000541773962 1118636933 /nfs/dbraw/zinc/63/69/33/1118636933.db2.gz QCFVFEZPYKLPSC-UHFFFAOYSA-N 1 0 366.364 4.145 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000595785779 1118637848 /nfs/dbraw/zinc/63/78/48/1118637848.db2.gz GOEDNUXTPJCPJZ-CXAGYDPISA-N 1 0 372.387 4.395 20 5 FIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000464718587 1118664137 /nfs/dbraw/zinc/66/41/37/1118664137.db2.gz DHGGVWLDQCRVKI-IBGZPJMESA-N 1 0 355.438 4.179 20 5 FIBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000464780444 1118692225 /nfs/dbraw/zinc/69/22/25/1118692225.db2.gz SUFHBRFYLZMNSO-DOTOQJQBSA-N 1 0 352.500 4.488 20 5 FIBDRO Cc1ccc(CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]2CCCO2)cc1 ZINC000464782163 1118692297 /nfs/dbraw/zinc/69/22/97/1118692297.db2.gz YFDZUJFZQGASHI-OAQYLSRUSA-N 1 0 354.450 4.127 20 5 FIBDRO Cc1ccc(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]2CCCO2)cc1 ZINC000464782559 1118693389 /nfs/dbraw/zinc/69/33/89/1118693389.db2.gz XYKIDDNGFYGLBH-HXUWFJFHSA-N 1 0 354.450 4.127 20 5 FIBDRO CCN(CC)C(=O)CCC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000542048764 1118771642 /nfs/dbraw/zinc/77/16/42/1118771642.db2.gz CHCWODFGKIPJAI-INIZCTEOSA-N 1 0 361.486 4.016 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)c1 ZINC000609146201 1118823826 /nfs/dbraw/zinc/82/38/26/1118823826.db2.gz LPLCBFDHUAYBKR-UHFFFAOYSA-N 1 0 364.405 4.024 20 5 FIBDRO CC(C)([NH2+]Cc1ccc(Oc2cnccn2)cc1)c1ccccc1[N+](=O)[O-] ZINC000492101765 1119023873 /nfs/dbraw/zinc/02/38/73/1119023873.db2.gz CLAYNKRZEFFGIZ-UHFFFAOYSA-N 1 0 364.405 4.202 20 5 FIBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000030771697 1119118020 /nfs/dbraw/zinc/11/80/20/1119118020.db2.gz DRDIQPHCVXMMDQ-UHFFFAOYSA-N 1 0 355.419 4.123 20 5 FIBDRO CCOc1cc(C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)ccc1[N+](=O)[O-] ZINC000492581883 1119136040 /nfs/dbraw/zinc/13/60/40/1119136040.db2.gz KAKCQTGJBWDXBQ-HXUWFJFHSA-N 1 0 358.438 4.489 20 5 FIBDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000122613388 1119289943 /nfs/dbraw/zinc/28/99/43/1119289943.db2.gz ALJYXXVJLWVUFE-GOSISDBHSA-N 1 0 364.405 4.290 20 5 FIBDRO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000493277082 1119438183 /nfs/dbraw/zinc/43/81/83/1119438183.db2.gz ONYHEGIMJYONOE-ZVDOUQERSA-N 1 0 353.466 4.147 20 5 FIBDRO CCc1ccc([C@H]([NH2+]C[C@@](C)(O)[C@H](C)CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542474529 1119555382 /nfs/dbraw/zinc/55/53/82/1119555382.db2.gz HDMPLMFHQWBJRH-JSNMRZPZSA-N 1 0 360.454 4.226 20 5 FIBDRO COc1ccc([C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)cc1 ZINC000609194224 1119841844 /nfs/dbraw/zinc/84/18/44/1119841844.db2.gz GNQMVTYCVLKZBJ-KRWDZBQOSA-N 1 0 370.449 4.380 20 5 FIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000494996004 1120422488 /nfs/dbraw/zinc/42/24/88/1120422488.db2.gz HHLAYMYRHLITRO-KGLIPLIRSA-N 1 0 369.412 4.117 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]CC3(CCO)CC3)cc2[N+](=O)[O-])cc1 ZINC000495155767 1120510762 /nfs/dbraw/zinc/51/07/62/1120510762.db2.gz KSSNFAKMBXHLAA-UHFFFAOYSA-N 1 0 372.490 4.307 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000153352405 1120531310 /nfs/dbraw/zinc/53/13/10/1120531310.db2.gz NFWWBJFNZJAIAO-OAHLLOKOSA-N 1 0 355.438 4.470 20 5 FIBDRO CC(C)(C)Oc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000193273695 1120640840 /nfs/dbraw/zinc/64/08/40/1120640840.db2.gz AMXOFHGHWKYEHG-GOSISDBHSA-N 1 0 355.438 4.334 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)c(F)c1 ZINC000089513373 1120898804 /nfs/dbraw/zinc/89/88/04/1120898804.db2.gz PYMISCZVAWFDQA-JTQLQIEISA-N 1 0 353.191 4.347 20 5 FIBDRO C[N@H+](CCSCc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000193627820 1120992574 /nfs/dbraw/zinc/99/25/74/1120992574.db2.gz LRANNEYRBOXZPD-UHFFFAOYSA-N 1 0 357.435 4.101 20 5 FIBDRO CC[C@@H](C)Oc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000609222593 1120997411 /nfs/dbraw/zinc/99/74/11/1120997411.db2.gz SNHDRZZDQWTYOV-OAHLLOKOSA-N 1 0 358.438 4.113 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc(-c3ccccc3)cs2)cc1 ZINC001649106529 1121835537 /nfs/dbraw/zinc/83/55/37/1121835537.db2.gz JQWAWHVNIZHEJF-UHFFFAOYSA-N 1 0 354.431 4.492 20 5 FIBDRO Cc1ccc(-c2nc(C[NH2+]CCOc3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC001649106517 1121836394 /nfs/dbraw/zinc/83/63/94/1121836394.db2.gz IZTMAHHOKDSDRE-UHFFFAOYSA-N 1 0 369.446 4.195 20 5 FIBDRO Cc1c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)sc2nc(C)nc(C)c12 ZINC000916836717 1121877297 /nfs/dbraw/zinc/87/72/97/1121877297.db2.gz NVAMRHJIXBPGOK-NSHDSACASA-N 1 0 356.451 4.376 20 5 FIBDRO CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CCC2 ZINC000765812305 1122098465 /nfs/dbraw/zinc/09/84/65/1122098465.db2.gz AHOMLQAFEUTJMZ-MOPGFXCFSA-N 1 0 368.481 4.361 20 5 FIBDRO C[C@](O)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000765815878 1122122245 /nfs/dbraw/zinc/12/22/45/1122122245.db2.gz LMWHCCZQZFETJX-QUCCMNQESA-N 1 0 374.868 4.067 20 5 FIBDRO CCC(=O)c1ccc(NC[C@@H]([NH2+][C@@H](C)CC)c2ccco2)c([N+](=O)[O-])c1 ZINC000553601133 1122157291 /nfs/dbraw/zinc/15/72/91/1122157291.db2.gz IYESXCLTUHGCJJ-XJKSGUPXSA-N 1 0 359.426 4.322 20 5 FIBDRO O=[N+]([O-])c1cc(Br)ccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000301510483 1122192418 /nfs/dbraw/zinc/19/24/18/1122192418.db2.gz CVWGRKFUHBNWKR-UHFFFAOYSA-N 1 0 368.275 4.176 20 5 FIBDRO CCC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000917181057 1122216402 /nfs/dbraw/zinc/21/64/02/1122216402.db2.gz OLWPQTVCZDZGNG-OAHLLOKOSA-N 1 0 361.829 4.318 20 5 FIBDRO CC(=O)c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000301597020 1122238288 /nfs/dbraw/zinc/23/82/88/1122238288.db2.gz SQPYLYDHCRMHGV-BEFAXECRSA-N 1 0 367.449 4.120 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000542707418 1122304761 /nfs/dbraw/zinc/30/47/61/1122304761.db2.gz ZSVGPEPOBXOPCW-QGZVFWFLSA-N 1 0 361.239 4.443 20 5 FIBDRO CC(C)(C)[C@@H]([NH2+]Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000917432126 1122312950 /nfs/dbraw/zinc/31/29/50/1122312950.db2.gz KIJPPQFKWUBNAX-SFHVURJKSA-N 1 0 365.437 4.188 20 5 FIBDRO CN(Cc1csc2ccccc12)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000917454417 1122319498 /nfs/dbraw/zinc/31/94/98/1122319498.db2.gz GTPWZURQJQYORX-UHFFFAOYSA-N 1 0 352.419 4.249 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1ccccc1)C(C)(C)C ZINC000130422676 1122844421 /nfs/dbraw/zinc/84/44/21/1122844421.db2.gz KWCPGEHTQPEMHM-UHFFFAOYSA-N 1 0 355.438 4.142 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000194857105 1122932520 /nfs/dbraw/zinc/93/25/20/1122932520.db2.gz PWBIOHQUIYLOLH-KRWDZBQOSA-N 1 0 373.497 4.020 20 5 FIBDRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000195128058 1123151299 /nfs/dbraw/zinc/15/12/99/1123151299.db2.gz WKVZKEOFYDUSPN-UHFFFAOYSA-N 1 0 353.422 4.223 20 5 FIBDRO CC1CCC(OC2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000609386564 1123699438 /nfs/dbraw/zinc/69/94/38/1123699438.db2.gz MYBGVTDBMXBNAH-UHFFFAOYSA-N 1 0 362.470 4.033 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609705026 1123802961 /nfs/dbraw/zinc/80/29/61/1123802961.db2.gz HSFJJDNTLJGZAB-JKSUJKDBSA-N 1 0 365.905 4.335 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609705024 1123803958 /nfs/dbraw/zinc/80/39/58/1123803958.db2.gz HSFJJDNTLJGZAB-HOTGVXAUSA-N 1 0 365.905 4.335 20 5 FIBDRO C[C@](CO)([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCCCC1 ZINC000610089104 1123936832 /nfs/dbraw/zinc/93/68/32/1123936832.db2.gz AOUZQQJDMDDDTK-HXUWFJFHSA-N 1 0 358.438 4.276 20 5 FIBDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@@H]2CCO[C@@H]21 ZINC000610162145 1123952535 /nfs/dbraw/zinc/95/25/35/1123952535.db2.gz AUYNPDHXDDGEHJ-JQHSSLGASA-N 1 0 358.463 4.226 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@@H](C)CCO)cc2[N+](=O)[O-])cc1 ZINC000237572662 1123983514 /nfs/dbraw/zinc/98/35/14/1123983514.db2.gz DXTSGDGYLNPGAC-HNNXBMFYSA-N 1 0 360.479 4.163 20 5 FIBDRO Cc1nc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cs1 ZINC000237716897 1124032759 /nfs/dbraw/zinc/03/27/59/1124032759.db2.gz LJRLAOFGBRIORX-UHFFFAOYSA-N 1 0 359.476 4.421 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179753329 1124046036 /nfs/dbraw/zinc/04/60/36/1124046036.db2.gz DJJISCXLMULQBB-IBGZPJMESA-N 1 0 374.824 4.260 20 5 FIBDRO CC(C)[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccnn1C ZINC000615943188 1124171105 /nfs/dbraw/zinc/17/11/05/1124171105.db2.gz WVORQZKMBCLSFY-GOSISDBHSA-N 1 0 368.437 4.118 20 5 FIBDRO CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765849870 1124208921 /nfs/dbraw/zinc/20/89/21/1124208921.db2.gz SLFJQQHPYKBSKS-MGPUTAFESA-N 1 0 358.438 4.014 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cn4ccccc4n3)s2)cc1 ZINC000238002922 1124224518 /nfs/dbraw/zinc/22/45/18/1124224518.db2.gz DFQNLKUGARMXJB-UHFFFAOYSA-N 1 0 364.430 4.261 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cccc(CO)c3)s2)cc1 ZINC000237987629 1124229137 /nfs/dbraw/zinc/22/91/37/1124229137.db2.gz DPOGPMMDULKZND-UHFFFAOYSA-N 1 0 354.431 4.105 20 5 FIBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000553988158 1124249081 /nfs/dbraw/zinc/24/90/81/1124249081.db2.gz XXCYNMKQCNIAEY-KRWDZBQOSA-N 1 0 359.451 4.068 20 5 FIBDRO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2)[NH+]2CCCCC2)cc1 ZINC000057366496 1124315711 /nfs/dbraw/zinc/31/57/11/1124315711.db2.gz JDNRPZWCVFMEIC-HXUWFJFHSA-N 1 0 355.438 4.243 20 5 FIBDRO CC(C)Oc1ccc([C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000554372090 1124330352 /nfs/dbraw/zinc/33/03/52/1124330352.db2.gz GTYMCIAPWCCHIR-IIBYNOLFSA-N 1 0 371.481 4.336 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(-n2ccnc2C)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000153721479 1124367461 /nfs/dbraw/zinc/36/74/61/1124367461.db2.gz ZIOKTZSMNMXWBK-LJQANCHMSA-N 1 0 368.412 4.469 20 5 FIBDRO Cc1[nH+]ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1Cl ZINC000616955358 1124414754 /nfs/dbraw/zinc/41/47/54/1124414754.db2.gz HPJRUUZDGDGUSV-UHFFFAOYSA-N 1 0 360.826 4.109 20 5 FIBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C12CCC2 ZINC000462754746 1124489624 /nfs/dbraw/zinc/48/96/24/1124489624.db2.gz RBCDUBNWNADIHS-MOPGFXCFSA-N 1 0 356.422 4.292 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000123240811 1124521458 /nfs/dbraw/zinc/52/14/58/1124521458.db2.gz DMEVGCFUODYNIT-UHFFFAOYSA-N 1 0 373.884 4.045 20 5 FIBDRO COc1ccc(NC(=O)C[N@H+](C(C)C)[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000428839531 1124526552 /nfs/dbraw/zinc/52/65/52/1124526552.db2.gz KHOXAMFSPHAIDC-OAHLLOKOSA-N 1 0 371.437 4.014 20 5 FIBDRO Cc1ccc(C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000170905621 1124708731 /nfs/dbraw/zinc/70/87/31/1124708731.db2.gz LTDVPVSXQCXLLR-UHFFFAOYSA-N 1 0 351.406 4.233 20 5 FIBDRO Cc1cc(NCc2cc(F)cc3c2OCOC3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181500880 1124976613 /nfs/dbraw/zinc/97/66/13/1124976613.db2.gz GFXFMMISBCVWDZ-UHFFFAOYSA-N 1 0 369.352 4.069 20 5 FIBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001128236007 1125106674 /nfs/dbraw/zinc/10/66/74/1125106674.db2.gz PRTBPOSNFYTOLV-UHFFFAOYSA-N 1 0 373.453 4.116 20 5 FIBDRO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)c1ccccc1 ZINC000181773562 1125131886 /nfs/dbraw/zinc/13/18/86/1125131886.db2.gz ZNNRAZDMPSOPBM-AWEZNQCLSA-N 1 0 366.421 4.101 20 5 FIBDRO CC(C)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[NH+]1CCCCC1 ZINC000113312653 1125147973 /nfs/dbraw/zinc/14/79/73/1125147973.db2.gz HJGYLMJZKDCIKL-UHFFFAOYSA-N 1 0 374.510 4.072 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3Cc4ccccc43)cs2)c1 ZINC000113335840 1125154784 /nfs/dbraw/zinc/15/47/84/1125154784.db2.gz ATLYVLSJKDCXQY-HNNXBMFYSA-N 1 0 351.431 4.148 20 5 FIBDRO COc1ccccc1OCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618568604 1125207881 /nfs/dbraw/zinc/20/78/81/1125207881.db2.gz JVSQETZBAJTLPK-SFHVURJKSA-N 1 0 356.422 4.040 20 5 FIBDRO O=[N+]([O-])c1cc(F)c(NC[C@@H](c2cccs2)[NH+]2CCCC2)c(F)c1 ZINC000301759709 1125208109 /nfs/dbraw/zinc/20/81/09/1125208109.db2.gz AYGDUWPQIYEIOX-AWEZNQCLSA-N 1 0 353.394 4.184 20 5 FIBDRO C[N@@H+]1CCC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000301793448 1125298918 /nfs/dbraw/zinc/29/89/18/1125298918.db2.gz PCVPSFMGSSLPIX-PIGZYNQJSA-N 1 0 367.421 4.430 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000618984259 1125411297 /nfs/dbraw/zinc/41/12/97/1125411297.db2.gz IHOWVLUIZGUCGI-BBATYDOGSA-N 1 0 366.421 4.250 20 5 FIBDRO CN1Cc2ccccc2[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000618986727 1125411623 /nfs/dbraw/zinc/41/16/23/1125411623.db2.gz RMNLDHXAXXEIOQ-UXHICEINSA-N 1 0 351.450 4.094 20 5 FIBDRO CC1CCC([N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C2CC2)CC1 ZINC000108082685 206027894 /nfs/dbraw/zinc/02/78/94/206027894.db2.gz VKPJEAVOLAKLGN-UHFFFAOYSA-N 1 0 356.426 4.188 20 5 FIBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1C)[NH+](C)C ZINC000481434953 567941845 /nfs/dbraw/zinc/94/18/45/567941845.db2.gz CGWCWXXOJRQIGE-HNAYVOBHSA-N 1 0 370.453 4.025 20 5 FIBDRO COC[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cc1 ZINC000568320603 568023979 /nfs/dbraw/zinc/02/39/79/568023979.db2.gz DWSXYIHICMDFHI-LJQANCHMSA-N 1 0 373.840 4.249 20 5 FIBDRO COCC[C@@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(C)o1 ZINC000568400728 568030580 /nfs/dbraw/zinc/03/05/80/568030580.db2.gz METLESRSLNPYHG-OAHLLOKOSA-N 1 0 372.343 4.382 20 5 FIBDRO COc1ccc(C[NH2+][C@H](C)[C@H](OC)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000481548722 568049599 /nfs/dbraw/zinc/04/95/99/568049599.db2.gz ZOTSWTVCVJSCGP-XIKOKIGWSA-N 1 0 364.829 4.123 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1ccc2ccccc2n1)C1CC1 ZINC000481716436 568094196 /nfs/dbraw/zinc/09/41/96/568094196.db2.gz GSGWBNGVKZFJFY-OAQYLSRUSA-N 1 0 361.445 4.296 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CC[C@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OC ZINC000481835431 568147655 /nfs/dbraw/zinc/14/76/55/568147655.db2.gz ZNDHNGGDJHRKPR-ZFWWWQNUSA-N 1 0 374.412 4.177 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000482036188 568235449 /nfs/dbraw/zinc/23/54/49/568235449.db2.gz BAIWOPYZGSGCIN-OAHLLOKOSA-N 1 0 351.406 4.361 20 5 FIBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)c1ccco1 ZINC000482050108 568239320 /nfs/dbraw/zinc/23/93/20/568239320.db2.gz OZNICYHPLIDITG-HOCLYGCPSA-N 1 0 374.441 4.056 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)C1CC1 ZINC000482113773 568279043 /nfs/dbraw/zinc/27/90/43/568279043.db2.gz LGNWXWMTZLMABL-LJQANCHMSA-N 1 0 367.424 4.369 20 5 FIBDRO COc1ccccc1C1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000482117530 568280441 /nfs/dbraw/zinc/28/04/41/568280441.db2.gz BRQMGZFRKOFOFM-LJQANCHMSA-N 1 0 366.461 4.246 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000453074719 568389528 /nfs/dbraw/zinc/38/95/28/568389528.db2.gz TXNIVIRIKIRWEB-CABCVRRESA-N 1 0 350.422 4.407 20 5 FIBDRO CC(C)c1[nH+]c(CNCc2ccc([N+](=O)[O-])cc2Cl)c2ccccn21 ZINC000569346985 568395750 /nfs/dbraw/zinc/39/57/50/568395750.db2.gz INQCYBSIJWENOB-UHFFFAOYSA-N 1 0 358.829 4.309 20 5 FIBDRO CC(C)(C)C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000570062368 568443066 /nfs/dbraw/zinc/44/30/66/568443066.db2.gz WVUWDOVGPIULCI-UYAOXDASSA-N 1 0 372.465 4.102 20 5 FIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1c(F)cccc1N1CCCC1 ZINC000569968490 568444975 /nfs/dbraw/zinc/44/49/75/568444975.db2.gz HDOQZUFBAZOIJC-UHFFFAOYSA-N 1 0 357.429 4.009 20 5 FIBDRO C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000570556626 568487048 /nfs/dbraw/zinc/48/70/48/568487048.db2.gz TTZCJDFNBFYZQQ-WYMLVPIESA-N 1 0 362.376 4.432 20 5 FIBDRO CC[NH+](CC)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC001165054493 722007428 /nfs/dbraw/zinc/00/74/28/722007428.db2.gz NZOPRVHVDOQRKB-UHFFFAOYSA-N 1 0 372.444 4.107 20 5 FIBDRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000182627771 1125588110 /nfs/dbraw/zinc/58/81/10/1125588110.db2.gz YXZVQCCGZFFPSH-AWEZNQCLSA-N 1 0 373.428 4.318 20 5 FIBDRO CC(=O)c1cc(NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000557631262 1079591331 /nfs/dbraw/zinc/59/13/31/1079591331.db2.gz VOKORNOZPFGVJY-SFHVURJKSA-N 1 0 361.829 4.166 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000579733500 1079594790 /nfs/dbraw/zinc/59/47/90/1079594790.db2.gz JWMBDVYOLMHTEJ-IBGZPJMESA-N 1 0 370.424 4.059 20 5 FIBDRO CN(CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1 ZINC000608835661 1079831764 /nfs/dbraw/zinc/83/17/64/1079831764.db2.gz HDRMIDYVUIJYLN-UHFFFAOYSA-N 1 0 351.406 4.081 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000430195213 1079865485 /nfs/dbraw/zinc/86/54/85/1079865485.db2.gz NIDWADUHGOQFPW-NSHDSACASA-N 1 0 365.227 4.217 20 5 FIBDRO CC1CCC([N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C2CC2)CC1 ZINC001167071952 1080009307 /nfs/dbraw/zinc/00/93/07/1080009307.db2.gz NTFWPCXWBVSWPI-UHFFFAOYSA-N 1 0 365.861 4.230 20 5 FIBDRO COc1ccc(C[NH2+]CC2(c3ccc(F)cc3)CCCC2)cc1[N+](=O)[O-] ZINC000609287659 1080311754 /nfs/dbraw/zinc/31/17/54/1080311754.db2.gz JMYFECQJSMYNBA-UHFFFAOYSA-N 1 0 358.413 4.344 20 5 FIBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1n1ccnc1 ZINC000246909994 1080543424 /nfs/dbraw/zinc/54/34/24/1080543424.db2.gz UPUHRQYIASSOMS-HNAYVOBHSA-N 1 0 366.421 4.134 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000165372309 1080596915 /nfs/dbraw/zinc/59/69/15/1080596915.db2.gz QMPKYMNRHSKUSS-INIZCTEOSA-N 1 0 371.456 4.358 20 5 FIBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C)c1cccc(OC)c1 ZINC001167131149 1080660122 /nfs/dbraw/zinc/66/01/22/1080660122.db2.gz KWSHRMODPXDHSG-OAHLLOKOSA-N 1 0 371.437 4.015 20 5 FIBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1cccc2ccccc21 ZINC001167265083 1080932414 /nfs/dbraw/zinc/93/24/14/1080932414.db2.gz XJWNOTKFTYVKLJ-UHFFFAOYSA-N 1 0 350.418 4.301 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)Cc3ccccc3)s2)cc1 ZINC000237964508 1081074569 /nfs/dbraw/zinc/07/45/69/1081074569.db2.gz JYRJOYCUSCWKKQ-SFHVURJKSA-N 1 0 368.458 4.017 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000255073944 1081096603 /nfs/dbraw/zinc/09/66/03/1081096603.db2.gz HFLNQNALOWIKEZ-FXMBQATMSA-N 1 0 358.463 4.258 20 5 FIBDRO Cc1cccc(C)c1[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544896102 1081139402 /nfs/dbraw/zinc/13/94/02/1081139402.db2.gz HTCDCVLNQZOJPA-ZDUSSCGKSA-N 1 0 361.829 4.154 20 5 FIBDRO Cc1c(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000109763719 1081181025 /nfs/dbraw/zinc/18/10/25/1081181025.db2.gz GGOWDIXYEWDVRU-UHFFFAOYSA-N 1 0 350.422 4.159 20 5 FIBDRO CC(C)(CCc1ccccc1)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177185170 1081195464 /nfs/dbraw/zinc/19/54/64/1081195464.db2.gz UJVCLTRXFJUTSU-UHFFFAOYSA-N 1 0 366.421 4.146 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000118837874 1081208208 /nfs/dbraw/zinc/20/82/08/1081208208.db2.gz FOKORRBATJNXQC-AWEZNQCLSA-N 1 0 350.422 4.412 20 5 FIBDRO COc1ccc(C[NH2+][C@H](C)COc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC001648898440 1081354832 /nfs/dbraw/zinc/35/48/32/1081354832.db2.gz OLIONKXKDLIPTB-OAHLLOKOSA-N 1 0 372.465 4.458 20 5 FIBDRO O=S1(=O)CC[C@@H](C[NH2+]Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC000044862810 1081559835 /nfs/dbraw/zinc/55/98/35/1081559835.db2.gz OIKXFFGEHWJTAY-AWEZNQCLSA-N 1 0 373.905 4.171 20 5 FIBDRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC001167406871 1081963290 /nfs/dbraw/zinc/96/32/90/1081963290.db2.gz YAULVNIMCRBFGT-CQSZACIVSA-N 1 0 358.442 4.293 20 5 FIBDRO Cc1ccc(F)c(CN(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000580991506 1082270018 /nfs/dbraw/zinc/27/00/18/1082270018.db2.gz NUXSEOIIZIPJGD-UHFFFAOYSA-N 1 0 368.412 4.075 20 5 FIBDRO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000177939995 1082353397 /nfs/dbraw/zinc/35/33/97/1082353397.db2.gz PEBZXJUIONWGGT-ZUOKHONESA-N 1 0 354.406 4.168 20 5 FIBDRO CCC[NH+]1CCC(N(C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000510423235 1082559324 /nfs/dbraw/zinc/55/93/24/1082559324.db2.gz ZVEMZYSYAXNZLT-UHFFFAOYSA-N 1 0 357.454 4.161 20 5 FIBDRO CC(C)C[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000119362216 1082600918 /nfs/dbraw/zinc/60/09/18/1082600918.db2.gz CIBVFPHXWYPYTA-GJZGRUSLSA-N 1 0 358.442 4.464 20 5 FIBDRO CCC[C@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000537955722 1082622894 /nfs/dbraw/zinc/62/28/94/1082622894.db2.gz JINJQGNMYBXIIK-AEFFLSMTSA-N 1 0 364.511 4.470 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)cc1[N+](=O)[O-] ZINC000178072501 1082678157 /nfs/dbraw/zinc/67/81/57/1082678157.db2.gz PVBBVMQETIZBED-HNNXBMFYSA-N 1 0 362.813 4.260 20 5 FIBDRO COc1ccc(C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000051132257 1082734960 /nfs/dbraw/zinc/73/49/60/1082734960.db2.gz UJHYDMFCVYLCPC-GHTZIAJQSA-N 1 0 370.449 4.203 20 5 FIBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000610539464 1082908369 /nfs/dbraw/zinc/90/83/69/1082908369.db2.gz RRUZWKXBONGXMY-PXAZEXFGSA-N 1 0 361.829 4.316 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccccc1OC(F)F ZINC000471779506 1082981421 /nfs/dbraw/zinc/98/14/21/1082981421.db2.gz IOLQNJWXGNDYMB-AWEZNQCLSA-N 1 0 364.392 4.350 20 5 FIBDRO C[N@H+](CCCCO)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000471820072 1083053880 /nfs/dbraw/zinc/05/38/80/1083053880.db2.gz FVLBRKGDAPDSEN-UHFFFAOYSA-N 1 0 364.829 4.245 20 5 FIBDRO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000471824854 1083068174 /nfs/dbraw/zinc/06/81/74/1083068174.db2.gz UWPSEWFIHKCOIR-DOTOQJQBSA-N 1 0 360.385 4.183 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)s2)cc1 ZINC000510536677 1083147332 /nfs/dbraw/zinc/14/73/32/1083147332.db2.gz YNCPGORYDFOJGE-HNNXBMFYSA-N 1 0 368.462 4.426 20 5 FIBDRO Cc1ccc([C@H]2CSCCN2Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000610581898 1083213317 /nfs/dbraw/zinc/21/33/17/1083213317.db2.gz XTYLMBCIOJWIOS-QGZVFWFLSA-N 1 0 369.446 4.335 20 5 FIBDRO O=[N+]([O-])c1cc(F)c(CN[C@@H]2CCC[C@@H]2OCc2ccccc2)c(F)c1 ZINC000510632675 1083213376 /nfs/dbraw/zinc/21/33/76/1083213376.db2.gz WPPPTMGZROTUHY-MOPGFXCFSA-N 1 0 362.376 4.101 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000610664724 1083307221 /nfs/dbraw/zinc/30/72/21/1083307221.db2.gz CUXGBEUNVGYYHM-UHFFFAOYSA-N 1 0 367.449 4.450 20 5 FIBDRO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610740586 1083398156 /nfs/dbraw/zinc/39/81/56/1083398156.db2.gz LKDHLZKYUWRHBY-SJLPKXTDSA-N 1 0 369.465 4.267 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC([C@@H]4CCCO4)CC3)o2)cc1 ZINC000188266532 1083430064 /nfs/dbraw/zinc/43/00/64/1083430064.db2.gz ACHLKURNYDINIG-IBGZPJMESA-N 1 0 356.422 4.246 20 5 FIBDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000510956787 1083535639 /nfs/dbraw/zinc/53/56/39/1083535639.db2.gz ANYDDILMXRULIU-SCLBCKFNSA-N 1 0 358.413 4.341 20 5 FIBDRO CC[N@H+](Cc1cccs1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179720049 1083608662 /nfs/dbraw/zinc/60/86/62/1083608662.db2.gz UUULNHIGSHWZAS-UHFFFAOYSA-N 1 0 356.451 4.079 20 5 FIBDRO CC[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000610812891 1083739012 /nfs/dbraw/zinc/73/90/12/1083739012.db2.gz OJKQOUORXZWQGQ-YJBOKZPZSA-N 1 0 361.392 4.193 20 5 FIBDRO COc1ccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2c1 ZINC000610817752 1083747403 /nfs/dbraw/zinc/74/74/03/1083747403.db2.gz SMMCBJZWOPSGHI-CQSZACIVSA-N 1 0 353.422 4.286 20 5 FIBDRO COc1ccc2[nH]cc(CC[NH2+][C@H](C)CCc3ccccc3[N+](=O)[O-])c2c1 ZINC000610817680 1083747657 /nfs/dbraw/zinc/74/76/57/1083747657.db2.gz IYPQMQWUEYFIKX-OAHLLOKOSA-N 1 0 367.449 4.238 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cccc(F)c2C)cc1[N+](=O)[O-] ZINC000411480095 1083777415 /nfs/dbraw/zinc/77/74/15/1083777415.db2.gz XDEGQGUIKDIMAW-AWEZNQCLSA-N 1 0 359.401 4.030 20 5 FIBDRO COc1ccc(C[NH+]2CCCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535840930 1083799337 /nfs/dbraw/zinc/79/93/37/1083799337.db2.gz MDMXCTQMHPOLFI-UHFFFAOYSA-N 1 0 356.422 4.168 20 5 FIBDRO CN(C)[C@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000179980847 1083948469 /nfs/dbraw/zinc/94/84/69/1083948469.db2.gz WRUKZWVKSMEMMY-CTNGQTDRSA-N 1 0 365.433 4.170 20 5 FIBDRO CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccc2c(c1)OCCO2 ZINC000178479509 1083983713 /nfs/dbraw/zinc/98/37/13/1083983713.db2.gz KSHGIEHDDZJDFK-RDTXWAMCSA-N 1 0 356.422 4.476 20 5 FIBDRO Cc1ccccc1[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000538389349 1084073529 /nfs/dbraw/zinc/07/35/29/1084073529.db2.gz DIQJVNHDUNBHSC-IBGZPJMESA-N 1 0 373.840 4.236 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000613025672 1084275433 /nfs/dbraw/zinc/27/54/33/1084275433.db2.gz KJYCJRXEUPZMBS-FQEVSTJZSA-N 1 0 367.449 4.459 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000157012882 1084294209 /nfs/dbraw/zinc/29/42/09/1084294209.db2.gz QIMONNMWIHAENL-CABCVRRESA-N 1 0 369.421 4.272 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177806527 1084347970 /nfs/dbraw/zinc/34/79/70/1084347970.db2.gz DWCBYFUPJRSPQA-HXUWFJFHSA-N 1 0 350.422 4.412 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000580099826 1084361561 /nfs/dbraw/zinc/36/15/61/1084361561.db2.gz YYRSNJAZDCYCQK-KGLIPLIRSA-N 1 0 354.385 4.331 20 5 FIBDRO Cc1cc(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000071952690 1084370375 /nfs/dbraw/zinc/37/03/75/1084370375.db2.gz MSWUBSLFHVIREQ-IAGOWNOFSA-N 1 0 369.465 4.125 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCCNc4ccccc43)c2c1 ZINC000580120640 1084372356 /nfs/dbraw/zinc/37/23/56/1084372356.db2.gz GIRLLSXWOVTECD-LJQANCHMSA-N 1 0 350.422 4.155 20 5 FIBDRO COc1cccc(C2(C[NH2+]C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000582031992 1084655556 /nfs/dbraw/zinc/65/55/56/1084655556.db2.gz LTIFNSSFGOUXSB-WJDWOHSUSA-N 1 0 352.434 4.328 20 5 FIBDRO COc1cc(C[N@@H+]2CC[C@@H](CC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC001167550540 1084673518 /nfs/dbraw/zinc/67/35/18/1084673518.db2.gz WFDPEUDZPBEOND-ZDUSSCGKSA-N 1 0 372.412 4.115 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551737846 1084706407 /nfs/dbraw/zinc/70/64/07/1084706407.db2.gz CNKPZVMQIDFMRA-AWEZNQCLSA-N 1 0 361.392 4.146 20 5 FIBDRO Cc1ccccc1NC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000174749485 1084817630 /nfs/dbraw/zinc/81/76/30/1084817630.db2.gz DNDQBYMLDBWGBX-UHFFFAOYSA-N 1 0 355.438 4.142 20 5 FIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000548722710 1084848801 /nfs/dbraw/zinc/84/88/01/1084848801.db2.gz ZYYMNOCLHVVQNM-HXUWFJFHSA-N 1 0 369.371 4.190 20 5 FIBDRO CCC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCCCO1 ZINC000106866085 1085234810 /nfs/dbraw/zinc/23/48/10/1085234810.db2.gz RBBWMVBKAQVQSW-SFHVURJKSA-N 1 0 373.453 4.073 20 5 FIBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000125106644 1085330730 /nfs/dbraw/zinc/33/07/30/1085330730.db2.gz ZYSZIJIDEGENFW-IUODEOHRSA-N 1 0 358.419 4.301 20 5 FIBDRO C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000125106261 1085331190 /nfs/dbraw/zinc/33/11/90/1085331190.db2.gz ZYSZIJIDEGENFW-DOMZBBRYSA-N 1 0 358.419 4.301 20 5 FIBDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178639991 1085421650 /nfs/dbraw/zinc/42/16/50/1085421650.db2.gz HEJSUNTUXASRRT-CQSZACIVSA-N 1 0 350.422 4.248 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@H](c2cccnc2)C2CC2)c1 ZINC000549544303 1085518959 /nfs/dbraw/zinc/51/89/59/1085518959.db2.gz KRHKJTPANRAALF-INIZCTEOSA-N 1 0 351.328 4.250 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000125458394 1085572631 /nfs/dbraw/zinc/57/26/31/1085572631.db2.gz QZAVOVUEFVYZGZ-MGPUTAFESA-N 1 0 358.438 4.075 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c(F)c1 ZINC000121874060 1085584335 /nfs/dbraw/zinc/58/43/35/1085584335.db2.gz BWNKJSPLXOHZJM-YJBOKZPZSA-N 1 0 362.401 4.195 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178651464 1085585032 /nfs/dbraw/zinc/58/50/32/1085585032.db2.gz YOPZHODALUWXFF-SNVBAGLBSA-N 1 0 353.191 4.347 20 5 FIBDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000178652626 1085595490 /nfs/dbraw/zinc/59/54/90/1085595490.db2.gz NQCSYOTUFVUHRD-LBPRGKRZSA-N 1 0 366.364 4.098 20 5 FIBDRO COc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1 ZINC000178653064 1085596065 /nfs/dbraw/zinc/59/60/65/1085596065.db2.gz KBZPJQQSMNHLJC-LLVKDONJSA-N 1 0 354.328 4.473 20 5 FIBDRO CCC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000181787117 1085601346 /nfs/dbraw/zinc/60/13/46/1085601346.db2.gz UXUCLRXTPYUWFJ-QGZVFWFLSA-N 1 0 371.437 4.063 20 5 FIBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000277886986 1085692134 /nfs/dbraw/zinc/69/21/34/1085692134.db2.gz DDIWLBLDFJUURF-UHFFFAOYSA-N 1 0 361.829 4.179 20 5 FIBDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000178679980 1085778231 /nfs/dbraw/zinc/77/82/31/1085778231.db2.gz FWNQNISSTICIRL-JKSUJKDBSA-N 1 0 355.438 4.198 20 5 FIBDRO CC(C)C[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000541625685 1085792314 /nfs/dbraw/zinc/79/23/14/1085792314.db2.gz IIKYCCKIBLURML-BBRMVZONSA-N 1 0 361.467 4.360 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000178686606 1085813257 /nfs/dbraw/zinc/81/32/57/1085813257.db2.gz ONIRFYGBTJAGOL-CVEARBPZSA-N 1 0 350.422 4.251 20 5 FIBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000161461388 1085951638 /nfs/dbraw/zinc/95/16/38/1085951638.db2.gz YSAVTCHRDOMYKX-MGPLVRAMSA-N 1 0 355.221 4.286 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000582980279 1085984363 /nfs/dbraw/zinc/98/43/63/1085984363.db2.gz WJKZMUWWDAOHPG-LBPRGKRZSA-N 1 0 350.365 4.165 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000514797849 1086109253 /nfs/dbraw/zinc/10/92/53/1086109253.db2.gz FSIIICWUXLWAOU-MRXNPFEDSA-N 1 0 374.824 4.187 20 5 FIBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3ccccc3[C@H]2C(C)C)c1 ZINC001167656647 1086311215 /nfs/dbraw/zinc/31/12/15/1086311215.db2.gz MXJYABHFCKFAGI-HXUWFJFHSA-N 1 0 368.433 4.137 20 5 FIBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C12CCC2 ZINC001167664831 1086521153 /nfs/dbraw/zinc/52/11/53/1086521153.db2.gz VGBRZRKQNCDONM-CVEARBPZSA-N 1 0 372.387 4.393 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc([S@](C)=O)cc1 ZINC000278886692 1086530084 /nfs/dbraw/zinc/53/00/84/1086530084.db2.gz YIDCCTBIZUFNDL-ZLWNONNNSA-N 1 0 358.463 4.060 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1cncc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000583333651 1086571846 /nfs/dbraw/zinc/57/18/46/1086571846.db2.gz XOMICLSKBWVVAJ-QWRGUYRKSA-N 1 0 350.216 4.164 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCC[C@H]3Cc3ccccc3)c2)cc1 ZINC000728898316 1086888813 /nfs/dbraw/zinc/88/88/13/1086888813.db2.gz SQLIJXYJGRCIBO-NRFANRHFSA-N 1 0 362.433 4.123 20 5 FIBDRO Cc1c(NC(=O)[C@@H](C)N2CCC=C(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000583922388 1087038678 /nfs/dbraw/zinc/03/86/78/1087038678.db2.gz OYJGARVJXHMBGK-MRXNPFEDSA-N 1 0 365.433 4.020 20 5 FIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCCc1ccccc1 ZINC000052802656 1087166828 /nfs/dbraw/zinc/16/68/28/1087166828.db2.gz FSJCGYFIQXIMHF-HNNXBMFYSA-N 1 0 366.421 4.270 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000584146839 1087190741 /nfs/dbraw/zinc/19/07/41/1087190741.db2.gz VCKGLOPUSQGNRC-CVEARBPZSA-N 1 0 357.429 4.219 20 5 FIBDRO O=[N+]([O-])c1cccc(F)c1CN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000611935446 1087593179 /nfs/dbraw/zinc/59/31/79/1087593179.db2.gz XRNSAWCNFBCYBM-LJQANCHMSA-N 1 0 357.429 4.051 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000708576795 1087594815 /nfs/dbraw/zinc/59/48/15/1087594815.db2.gz INBGQUZVWCOONE-ZBFHGGJFSA-N 1 0 359.857 4.428 20 5 FIBDRO O=C(CC[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000409873903 1087626449 /nfs/dbraw/zinc/62/64/49/1087626449.db2.gz LZTLMPITCSGGJE-QGZVFWFLSA-N 1 0 373.840 4.414 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CC23CC3)cc1 ZINC000424185562 1087811990 /nfs/dbraw/zinc/81/19/90/1087811990.db2.gz PWQKHZHQNNGVLO-IBGZPJMESA-N 1 0 360.417 4.090 20 5 FIBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180570167 1087963731 /nfs/dbraw/zinc/96/37/31/1087963731.db2.gz FMMATPLOKHZJOK-CQSZACIVSA-N 1 0 372.318 4.396 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCn2cc(C)nc21 ZINC000504919526 1087971334 /nfs/dbraw/zinc/97/13/34/1087971334.db2.gz KTQIXBIINZRIJC-CVEARBPZSA-N 1 0 374.510 4.138 20 5 FIBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1n1ccnc1 ZINC000180609674 1087980874 /nfs/dbraw/zinc/98/08/74/1087980874.db2.gz UPUHRQYIASSOMS-KXBFYZLASA-N 1 0 366.421 4.134 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CCC(OC)CC1 ZINC000504912220 1087981234 /nfs/dbraw/zinc/98/12/34/1087981234.db2.gz SHJZDOWIDAVRSK-PCKAHOCUSA-N 1 0 352.500 4.260 20 5 FIBDRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000414368911 1087999746 /nfs/dbraw/zinc/99/97/46/1087999746.db2.gz TYIDZSUASJXCAP-CQSZACIVSA-N 1 0 368.412 4.387 20 5 FIBDRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000414368908 1087999849 /nfs/dbraw/zinc/99/98/49/1087999849.db2.gz TYIDZSUASJXCAP-AWEZNQCLSA-N 1 0 368.412 4.387 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OC(C)(C)C)nc2)cc1[N+](=O)[O-] ZINC000181345546 1088330274 /nfs/dbraw/zinc/33/02/74/1088330274.db2.gz DWTWOMUCJDYTCH-CQSZACIVSA-N 1 0 373.453 4.417 20 5 FIBDRO CC(C)c1nnc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000513827123 1088425144 /nfs/dbraw/zinc/42/51/44/1088425144.db2.gz JJHFTUNCWDCLDW-ZFWWWQNUSA-N 1 0 360.483 4.071 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@H](CCO)c1ccccc1 ZINC000513828140 1088427496 /nfs/dbraw/zinc/42/74/96/1088427496.db2.gz DGOQWOPKCNAETA-YZGWKJHDSA-N 1 0 354.450 4.019 20 5 FIBDRO CC[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000311303261 1088547621 /nfs/dbraw/zinc/54/76/21/1088547621.db2.gz JZMJPUJJDLYXIY-DOTOQJQBSA-N 1 0 363.458 4.035 20 5 FIBDRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000311306378 1088551001 /nfs/dbraw/zinc/55/10/01/1088551001.db2.gz RALXMPIAPRBUQI-HUUCEWRRSA-N 1 0 363.458 4.035 20 5 FIBDRO CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000311427459 1088652819 /nfs/dbraw/zinc/65/28/19/1088652819.db2.gz BZMWPVBSXHFRCC-UHFFFAOYSA-N 1 0 373.884 4.345 20 5 FIBDRO C[C@@H]1CC[N@H+](C)CCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000514105442 1088751843 /nfs/dbraw/zinc/75/18/43/1088751843.db2.gz RHVOIWVSNOOUQR-OAHLLOKOSA-N 1 0 373.428 4.052 20 5 FIBDRO CC[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000414518604 1088807695 /nfs/dbraw/zinc/80/76/95/1088807695.db2.gz VRFAKXRXAOZHRD-LBPRGKRZSA-N 1 0 370.375 4.064 20 5 FIBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000414500564 1088811506 /nfs/dbraw/zinc/81/15/06/1088811506.db2.gz LXMUNDDJJZFQIR-KZULUSFZSA-N 1 0 361.467 4.012 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c2cc(N)ccc2O1 ZINC000415022166 1089060840 /nfs/dbraw/zinc/06/08/40/1089060840.db2.gz BVDBTNKYJNQQDF-QQOXCAACSA-N 1 0 353.422 4.082 20 5 FIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+][C@H](C)CO)cc2[N+](=O)[O-])c1 ZINC000236741111 1089192217 /nfs/dbraw/zinc/19/22/17/1089192217.db2.gz OVOLXTADKRACJY-OAHLLOKOSA-N 1 0 358.438 4.289 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000435032233 1089228905 /nfs/dbraw/zinc/22/89/05/1089228905.db2.gz FEBHPSHNVGTYAH-MGPUTAFESA-N 1 0 369.465 4.413 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000435032232 1089229952 /nfs/dbraw/zinc/22/99/52/1089229952.db2.gz FEBHPSHNVGTYAH-FOIQADDNSA-N 1 0 369.465 4.413 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](Cc4ccccc4)C3)nc2c1 ZINC000435048629 1089237420 /nfs/dbraw/zinc/23/74/20/1089237420.db2.gz JHHFCSUDCPRAOQ-INIZCTEOSA-N 1 0 351.406 4.191 20 5 FIBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000505598203 1089253470 /nfs/dbraw/zinc/25/34/70/1089253470.db2.gz YFWQYFLPUIDPEP-DGCLKSJQSA-N 1 0 358.385 4.010 20 5 FIBDRO C[C@@H](CCCC[NH3+])NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415198030 1089265856 /nfs/dbraw/zinc/26/58/56/1089265856.db2.gz UDIYLNFUHNIRPT-AWEZNQCLSA-N 1 0 372.425 4.026 20 5 FIBDRO COc1ccc(OC)c([C@@H]2CCCN2Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000505615419 1089328255 /nfs/dbraw/zinc/32/82/55/1089328255.db2.gz ZKHJOOUDQOCEJJ-KRWDZBQOSA-N 1 0 360.385 4.088 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000122462839 1089433770 /nfs/dbraw/zinc/43/37/70/1089433770.db2.gz GVPRRAYPNVFVHV-HNNXBMFYSA-N 1 0 367.449 4.493 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425369755 1089611659 /nfs/dbraw/zinc/61/16/59/1089611659.db2.gz HUSIXFFYJMKZGG-WNJRYGEDSA-N 1 0 356.466 4.279 20 5 FIBDRO CC[C@@H]1C[C@H]1[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000435783082 1089944736 /nfs/dbraw/zinc/94/47/36/1089944736.db2.gz VBADXEGPSRDYLS-PJSAGSTRSA-N 1 0 373.840 4.316 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](c1cccc(F)c1)N(C)C ZINC000468641009 1090004100 /nfs/dbraw/zinc/00/41/00/1090004100.db2.gz YINYYRZNBCDGKI-XMUSRXTASA-N 1 0 357.429 4.030 20 5 FIBDRO CCN(Cc1csc([N+](=O)[O-])c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000110265486 1090377831 /nfs/dbraw/zinc/37/78/31/1090377831.db2.gz DUOCUOHNQXIJPK-YJBOKZPZSA-N 1 0 359.495 4.314 20 5 FIBDRO O=C(CC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000511606397 1090688433 /nfs/dbraw/zinc/68/84/33/1090688433.db2.gz VLKTYIOCIXMANL-QGZVFWFLSA-N 1 0 359.813 4.024 20 5 FIBDRO Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCCCc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000417316964 1090798198 /nfs/dbraw/zinc/79/81/98/1090798198.db2.gz VKRGLCKXDLROHC-QFBILLFUSA-N 1 0 354.454 4.034 20 5 FIBDRO CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H]1CCCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000417331908 1090821829 /nfs/dbraw/zinc/82/18/29/1090821829.db2.gz NAVHLQFSYVFXSQ-FXAWDEMLSA-N 1 0 368.481 4.287 20 5 FIBDRO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1Cc2ccccc2C1 ZINC000511641646 1090993911 /nfs/dbraw/zinc/99/39/11/1090993911.db2.gz STLUNNVOLVLKCI-UHFFFAOYSA-N 1 0 365.458 4.318 20 5 FIBDRO O=C(CC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500066238 1091016736 /nfs/dbraw/zinc/01/67/36/1091016736.db2.gz FWAUOQWSUVALEY-OAHLLOKOSA-N 1 0 373.840 4.066 20 5 FIBDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500099848 1091037296 /nfs/dbraw/zinc/03/72/96/1091037296.db2.gz VGBLFXRSFBSNFT-KUHUBIRLSA-N 1 0 371.412 4.146 20 5 FIBDRO Cc1ccc(C)c([C@H](C)[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000500124995 1091050583 /nfs/dbraw/zinc/05/05/83/1091050583.db2.gz PDGXOHPSFSCAEV-INIZCTEOSA-N 1 0 355.438 4.233 20 5 FIBDRO COc1ccc(C[NH2+]C[C@@H]2CC23CC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000418103767 1091064608 /nfs/dbraw/zinc/06/46/08/1091064608.db2.gz WIDOGSRBQDXMAN-KRWDZBQOSA-N 1 0 368.433 4.072 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC2(C)CCOCC2)cc1[N+](=O)[O-] ZINC000500223413 1091120207 /nfs/dbraw/zinc/12/02/07/1091120207.db2.gz VYICAZRTURLDNH-UHFFFAOYSA-N 1 0 369.465 4.269 20 5 FIBDRO C[C@@H](C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C[C@H](C)O ZINC000123545380 1091182393 /nfs/dbraw/zinc/18/23/93/1091182393.db2.gz UQIZKEJVKGJFAR-KGLIPLIRSA-N 1 0 362.401 4.023 20 5 FIBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccsc1 ZINC000511682267 1091521536 /nfs/dbraw/zinc/52/15/36/1091521536.db2.gz OLGXPAVXVKEHRF-CQSZACIVSA-N 1 0 359.373 4.390 20 5 FIBDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001167766316 1091600027 /nfs/dbraw/zinc/60/00/27/1091600027.db2.gz KHLSKZFDWZAHKU-RBUKOAKNSA-N 1 0 364.486 4.408 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c(Cl)c1 ZINC000511764955 1091649899 /nfs/dbraw/zinc/64/98/99/1091649899.db2.gz KGZYDFJGWBDDSD-HBFSDRIKSA-N 1 0 372.852 4.253 20 5 FIBDRO C[C@@H](c1ccsc1)[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432133601 1091717644 /nfs/dbraw/zinc/71/76/44/1091717644.db2.gz NWMXDYZGHVNZQC-AWEZNQCLSA-N 1 0 368.462 4.088 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC[C@H]2CCCO2)c1 ZINC000124287055 1091747458 /nfs/dbraw/zinc/74/74/58/1091747458.db2.gz JGSGLOMXPUQTTM-OXJNMPFZSA-N 1 0 370.449 4.312 20 5 FIBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1ccc(C)c(O)c1 ZINC001211703835 1091881356 /nfs/dbraw/zinc/88/13/56/1091881356.db2.gz WTZOJVWGFQFXSX-UHFFFAOYSA-N 1 0 359.429 4.258 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000500533947 1092199419 /nfs/dbraw/zinc/19/94/19/1092199419.db2.gz NOEPATVVAPSGNX-HQMUEHRGSA-N 1 0 372.852 4.253 20 5 FIBDRO COc1sc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000449346889 1092262324 /nfs/dbraw/zinc/26/23/24/1092262324.db2.gz DWRXBAUDUHAHET-VIFPVBQESA-N 1 0 371.256 4.278 20 5 FIBDRO O=[N+]([O-])c1cccnc1NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000521012482 1092423715 /nfs/dbraw/zinc/42/37/15/1092423715.db2.gz JPBDEVFFQZPDRQ-UHFFFAOYSA-N 1 0 368.481 4.137 20 5 FIBDRO C[NH+](C)[C@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)c1cccs1 ZINC000521055197 1092451581 /nfs/dbraw/zinc/45/15/81/1092451581.db2.gz ZLTFJBFIFFTYIZ-HIFRSBDPSA-N 1 0 373.400 4.152 20 5 FIBDRO CC[NH+](CC)[C@@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC001126533915 1092500818 /nfs/dbraw/zinc/50/08/18/1092500818.db2.gz XSNKMITTWODIEX-OXQOHEQNSA-N 1 0 369.465 4.164 20 5 FIBDRO CC[C@](C)(O)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000521378706 1092667888 /nfs/dbraw/zinc/66/78/88/1092667888.db2.gz SGTRWZYRFWGFHD-SFHVURJKSA-N 1 0 364.829 4.291 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000549717970 1092716583 /nfs/dbraw/zinc/71/65/83/1092716583.db2.gz NTQQDGPBZMTLSW-HOTGVXAUSA-N 1 0 370.371 4.147 20 5 FIBDRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000474038450 1092774321 /nfs/dbraw/zinc/77/43/21/1092774321.db2.gz SBBBWWNFSQMEKM-KRWDZBQOSA-N 1 0 356.422 4.124 20 5 FIBDRO CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000236931171 1092811049 /nfs/dbraw/zinc/81/10/49/1092811049.db2.gz MRJDBGXORUAEJY-HNNXBMFYSA-N 1 0 359.495 4.145 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000521831921 1092933933 /nfs/dbraw/zinc/93/39/33/1092933933.db2.gz XWQHHGMKSCWQNG-SFHVURJKSA-N 1 0 355.438 4.021 20 5 FIBDRO CCOc1ccc2c(c1)[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])CCO2 ZINC000614101448 1092936419 /nfs/dbraw/zinc/93/64/19/1092936419.db2.gz ONAULCLFRXHHIW-FZMUQLTDSA-N 1 0 354.406 4.120 20 5 FIBDRO CC[NH+](CC)Cc1cccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000429844075 1092946671 /nfs/dbraw/zinc/94/66/71/1092946671.db2.gz VIYAJLWSDOGPBB-UHFFFAOYSA-N 1 0 369.465 4.353 20 5 FIBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000439127032 1092982436 /nfs/dbraw/zinc/98/24/36/1092982436.db2.gz HODSLVDRSXTNAZ-SJKOYZFVSA-N 1 0 365.380 4.300 20 5 FIBDRO CCC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453333678 1093227870 /nfs/dbraw/zinc/22/78/70/1093227870.db2.gz DFTJAVKPSUTFBM-HOJAQTOUSA-N 1 0 355.438 4.341 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000433090549 1093233255 /nfs/dbraw/zinc/23/32/55/1093233255.db2.gz IOZOESRRAKKGME-MSOLQXFVSA-N 1 0 353.466 4.470 20 5 FIBDRO CCCCn1cc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c(C)n1 ZINC000433218736 1093444921 /nfs/dbraw/zinc/44/49/21/1093444921.db2.gz HTOKENUQTOTOOD-IBGZPJMESA-N 1 0 356.470 4.412 20 5 FIBDRO CC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000512855750 1093455744 /nfs/dbraw/zinc/45/57/44/1093455744.db2.gz JLZDCAHPUJLACC-LKUPDRCFSA-N 1 0 356.422 4.366 20 5 FIBDRO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)on1 ZINC000509828671 1093465366 /nfs/dbraw/zinc/46/53/66/1093465366.db2.gz UWIFGELMTCYSQX-QGZVFWFLSA-N 1 0 353.378 4.488 20 5 FIBDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000512885722 1093502167 /nfs/dbraw/zinc/50/21/67/1093502167.db2.gz SWCHCTHGOMSONF-FUHWJXTLSA-N 1 0 369.465 4.125 20 5 FIBDRO CC1(C)C[C@@H](NC2CC[NH+](C3CCCC3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433280735 1093523599 /nfs/dbraw/zinc/52/35/99/1093523599.db2.gz DZQQGSQGXDBZPW-HXUWFJFHSA-N 1 0 357.498 4.314 20 5 FIBDRO CCc1ccc([C@H](CO)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433303330 1093558603 /nfs/dbraw/zinc/55/86/03/1093558603.db2.gz KRVKHZAIXNDVJU-UXHICEINSA-N 1 0 354.450 4.203 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]Cc2cccc3c2OCCCO3)c2cc([N+](=O)[O-])ccc21 ZINC000433294821 1093561547 /nfs/dbraw/zinc/56/15/47/1093561547.db2.gz NJXZUXJYTGAQBK-GOSISDBHSA-N 1 0 368.433 4.268 20 5 FIBDRO CCOc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc(Cl)c1O ZINC000513115208 1093855322 /nfs/dbraw/zinc/85/53/22/1093855322.db2.gz NHFWIQZZSYNVSN-LLVKDONJSA-N 1 0 350.802 4.203 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(O[C@H]2CCOC2)c1 ZINC000120586904 1093888791 /nfs/dbraw/zinc/88/87/91/1093888791.db2.gz ILRUVLUZGUHKLU-LPHOPBHVSA-N 1 0 370.449 4.230 20 5 FIBDRO Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c(O[C@H]2CCOC2)c1 ZINC000120605714 1093894618 /nfs/dbraw/zinc/89/46/18/1093894618.db2.gz CHERRLKCMBMISW-AEFFLSMTSA-N 1 0 370.449 4.230 20 5 FIBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])nc3)cc2)C1 ZINC000549915915 1093897918 /nfs/dbraw/zinc/89/79/18/1093897918.db2.gz NBBLKIVDXZYXTC-IYBDPMFKSA-N 1 0 354.454 4.080 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513246817 1094034565 /nfs/dbraw/zinc/03/45/65/1094034565.db2.gz DDEDYOHJOWZZQY-QRWLVFNGSA-N 1 0 367.449 4.315 20 5 FIBDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000513256911 1094039733 /nfs/dbraw/zinc/03/97/33/1094039733.db2.gz OKOGUIDEMRCSBI-RDTXWAMCSA-N 1 0 364.405 4.228 20 5 FIBDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000513277617 1094044986 /nfs/dbraw/zinc/04/49/86/1094044986.db2.gz YYEXHAKRNPKINL-IFXJQAMLSA-N 1 0 354.406 4.044 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000182637002 1094156158 /nfs/dbraw/zinc/15/61/58/1094156158.db2.gz MERAFEBKNUAUJC-CQSZACIVSA-N 1 0 367.405 4.329 20 5 FIBDRO CC(C)C1CCC([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000513665025 1094272819 /nfs/dbraw/zinc/27/28/19/1094272819.db2.gz BEUVGXPCLLARNB-GXOAENINSA-N 1 0 356.470 4.222 20 5 FIBDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000183140635 1094332486 /nfs/dbraw/zinc/33/24/86/1094332486.db2.gz JKWUBQRYMYNZCB-ZDUSSCGKSA-N 1 0 354.385 4.079 20 5 FIBDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000474600140 1094402458 /nfs/dbraw/zinc/40/24/58/1094402458.db2.gz UOGZXKLQOYGLQM-ILXRZTDVSA-N 1 0 358.438 4.455 20 5 FIBDRO O=C(CC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000500989012 1094403532 /nfs/dbraw/zinc/40/35/32/1094403532.db2.gz JVSCMJRPDACMND-SQVRQVGWSA-N 1 0 365.433 4.101 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474723245 1094543280 /nfs/dbraw/zinc/54/32/80/1094543280.db2.gz OZWPEGXELMDTQG-LKSINWNRSA-N 1 0 360.376 4.450 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000185575755 1094578824 /nfs/dbraw/zinc/57/88/24/1094578824.db2.gz PAHQHLQCHKZIDA-OAHLLOKOSA-N 1 0 364.449 4.390 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnn2-c2ccccc2C)cc1[N+](=O)[O-] ZINC000474804609 1094641365 /nfs/dbraw/zinc/64/13/65/1094641365.db2.gz BECYPJWKJYZZCV-INIZCTEOSA-N 1 0 350.422 4.248 20 5 FIBDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000501852323 1094970807 /nfs/dbraw/zinc/97/08/07/1094970807.db2.gz QTIOXBXIBINTPN-FUHWJXTLSA-N 1 0 367.449 4.110 20 5 FIBDRO CCOc1cc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000617201111 1095123729 /nfs/dbraw/zinc/12/37/29/1095123729.db2.gz MADMNHJYWWISGA-IBGZPJMESA-N 1 0 358.463 4.284 20 5 FIBDRO CC(C)(C)OCCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000475030297 1095209476 /nfs/dbraw/zinc/20/94/76/1095209476.db2.gz JDVBGPFVFDHBER-UHFFFAOYSA-N 1 0 350.459 4.033 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000502342893 1095376834 /nfs/dbraw/zinc/37/68/34/1095376834.db2.gz DGKBNSLFCIGBPF-GNJLHFKMSA-N 1 0 366.465 4.020 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccncc1OCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000281160187 1095498457 /nfs/dbraw/zinc/49/84/57/1095498457.db2.gz BKQNNJPOHBJKGD-HNNXBMFYSA-N 1 0 369.343 4.172 20 5 FIBDRO Cc1c(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)cccc1[N+](=O)[O-] ZINC000502530987 1095546760 /nfs/dbraw/zinc/54/67/60/1095546760.db2.gz RAJZBGXHXGSQIB-LJQANCHMSA-N 1 0 360.841 4.048 20 5 FIBDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000502513672 1095550234 /nfs/dbraw/zinc/55/02/34/1095550234.db2.gz SAWMQCNIVGEPNC-LJQANCHMSA-N 1 0 359.401 4.049 20 5 FIBDRO C[N@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000513750901 1095713401 /nfs/dbraw/zinc/71/34/01/1095713401.db2.gz RDSCUMZPCGUPMW-CQSZACIVSA-N 1 0 362.813 4.261 20 5 FIBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000444239942 1095896228 /nfs/dbraw/zinc/89/62/28/1095896228.db2.gz CUTLIIQQFIWKEG-VKJFTORMSA-N 1 0 355.438 4.445 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000503927309 1096591216 /nfs/dbraw/zinc/59/12/16/1096591216.db2.gz IPRMUMYQRZYYPS-UXIGCNINSA-N 1 0 358.385 4.195 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCCOC1 ZINC000503914880 1096594633 /nfs/dbraw/zinc/59/46/33/1096594633.db2.gz YDISCUTXQZSDGH-CHWSQXEVSA-N 1 0 364.829 4.413 20 5 FIBDRO [NH3+]C[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2ccccc2c1 ZINC000423400103 1096667558 /nfs/dbraw/zinc/66/75/58/1096667558.db2.gz PYLRTBQAFWGVOY-FCHUYYIVSA-N 1 0 361.445 4.415 20 5 FIBDRO CC(C)[NH+](CCN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(C)C ZINC000504143299 1096679292 /nfs/dbraw/zinc/67/92/92/1096679292.db2.gz LRZJNBIEMYJICE-UHFFFAOYSA-N 1 0 363.483 4.000 20 5 FIBDRO CC[C@@H](c1ccccc1)[N@H+](CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000532935231 1098628297 /nfs/dbraw/zinc/62/82/97/1098628297.db2.gz YJSRCJNCQMSHRZ-SFHVURJKSA-N 1 0 371.437 4.015 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000532978558 1098648540 /nfs/dbraw/zinc/64/85/40/1098648540.db2.gz VQDBAYMHZONZSK-WMZOPIPTSA-N 1 0 367.449 4.110 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000533046148 1098711342 /nfs/dbraw/zinc/71/13/42/1098711342.db2.gz KFLALJVEJHXOSP-HXUWFJFHSA-N 1 0 371.412 4.112 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@@]3(CCSC3)C1)CCCC2 ZINC000515619458 1098769583 /nfs/dbraw/zinc/76/95/83/1098769583.db2.gz LVIKNKCGWWWEJI-IPELMVKDSA-N 1 0 362.495 4.007 20 5 FIBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CC[NH+](CC2CCCC2)CC1 ZINC000436310246 1098931148 /nfs/dbraw/zinc/93/11/48/1098931148.db2.gz QVBMQJDLZCVIPR-UHFFFAOYSA-N 1 0 372.391 4.075 20 5 FIBDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130253188 1098933977 /nfs/dbraw/zinc/93/39/77/1098933977.db2.gz RAMLCQMUDHXHBV-CRFBAAHOSA-N 1 0 357.454 4.132 20 5 FIBDRO COc1ccc(C[NH2+]CCc2cn(C)c3cc(Cl)ccc23)cc1[N+](=O)[O-] ZINC000436400132 1098989533 /nfs/dbraw/zinc/98/95/33/1098989533.db2.gz LYVPROAXHSYQIF-UHFFFAOYSA-N 1 0 373.840 4.081 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)cs1 ZINC000436403541 1098991910 /nfs/dbraw/zinc/99/19/10/1098991910.db2.gz IVGWDXDTVPTVGE-UHFFFAOYSA-N 1 0 356.369 4.497 20 5 FIBDRO CCOC(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000436410528 1099007945 /nfs/dbraw/zinc/00/79/45/1099007945.db2.gz JUDZYSDPALIHSN-UHFFFAOYSA-N 1 0 352.818 4.413 20 5 FIBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425556540 1099032320 /nfs/dbraw/zinc/03/23/20/1099032320.db2.gz UPPBKSLAGCSYFB-QGZVFWFLSA-N 1 0 350.846 4.029 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000533560039 1099171109 /nfs/dbraw/zinc/17/11/09/1099171109.db2.gz XFAQKIABPSFWLL-CQSZACIVSA-N 1 0 355.369 4.255 20 5 FIBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1[C@@H]1CCCO1 ZINC000516357247 1099407383 /nfs/dbraw/zinc/40/73/83/1099407383.db2.gz TZNNOCNOJBFYSX-RBUKOAKNSA-N 1 0 356.422 4.244 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(Br)c(Cl)c2)cc1 ZINC000192166176 1099726971 /nfs/dbraw/zinc/72/69/71/1099726971.db2.gz JMCQMWGHIYUYFR-UHFFFAOYSA-N 1 0 355.619 4.301 20 5 FIBDRO CC(C)Oc1cccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000517053396 1100000970 /nfs/dbraw/zinc/00/09/70/1100000970.db2.gz KFTLKTGZLGGWIL-UHFFFAOYSA-N 1 0 353.422 4.196 20 5 FIBDRO CCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000517124072 1100092165 /nfs/dbraw/zinc/09/21/65/1100092165.db2.gz MAIRGSJOPZZJPG-LAUBAEHRSA-N 1 0 353.466 4.252 20 5 FIBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536673571 1100157629 /nfs/dbraw/zinc/15/76/29/1100157629.db2.gz MECBUBCCKIBXKE-QRGKHIHXSA-N 1 0 365.477 4.062 20 5 FIBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](C)C2(CCC2)C1 ZINC000536703803 1100211144 /nfs/dbraw/zinc/21/11/44/1100211144.db2.gz ZNINXKKZJTYCPH-QWHCGFSZSA-N 1 0 365.861 4.087 20 5 FIBDRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000536848244 1100360664 /nfs/dbraw/zinc/36/06/64/1100360664.db2.gz YCPXTOAWDBWSAS-HNNXBMFYSA-N 1 0 370.453 4.018 20 5 FIBDRO COC(=O)CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000536858939 1100375220 /nfs/dbraw/zinc/37/52/20/1100375220.db2.gz PMXSJHWMVLCTCH-HNAYVOBHSA-N 1 0 356.422 4.248 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]CCc3cccc(F)c3)o2)c([N+](=O)[O-])c1 ZINC000517540939 1100462490 /nfs/dbraw/zinc/46/24/90/1100462490.db2.gz QCOFBIPRBCIJCJ-UHFFFAOYSA-N 1 0 370.380 4.335 20 5 FIBDRO Cc1ccc(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)cc1[N+](=O)[O-] ZINC000438368071 1100622674 /nfs/dbraw/zinc/62/26/74/1100622674.db2.gz ZHRNVSXCZPOWLP-UHFFFAOYSA-N 1 0 353.422 4.127 20 5 FIBDRO C[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCC[C@@H](C)C1 ZINC000518264562 1101049412 /nfs/dbraw/zinc/04/94/12/1101049412.db2.gz GRKWSQDBESDYOK-HZPDHXFCSA-N 1 0 357.454 4.065 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCOc2ccccc2)s1 ZINC000518268870 1101052737 /nfs/dbraw/zinc/05/27/37/1101052737.db2.gz ZBSTWTJFFQNFDH-UHFFFAOYSA-N 1 0 354.431 4.492 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccccc2OC2CCCC2)cc1 ZINC000518301255 1101074543 /nfs/dbraw/zinc/07/45/43/1101074543.db2.gz WGTHYUZKEREJSV-UHFFFAOYSA-N 1 0 356.422 4.085 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459673172 1101313386 /nfs/dbraw/zinc/31/33/86/1101313386.db2.gz IYPHICAPMVVODH-ZWKOTPCHSA-N 1 0 367.449 4.110 20 5 FIBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1-c1ccc(Cl)cc1 ZINC000537087194 1101455305 /nfs/dbraw/zinc/45/53/05/1101455305.db2.gz FYDLCBRAORIZME-CQSZACIVSA-N 1 0 370.840 4.463 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000537214371 1101550286 /nfs/dbraw/zinc/55/02/86/1101550286.db2.gz AEOLKEDGFRPJDP-ZZXKWVIFSA-N 1 0 374.824 4.213 20 5 FIBDRO COc1cc(C[NH2+]Cc2csc3ccccc23)c([N+](=O)[O-])cc1OC ZINC000509607386 1101556642 /nfs/dbraw/zinc/55/66/42/1101556642.db2.gz HCAAGMSCYRRPMP-UHFFFAOYSA-N 1 0 358.419 4.117 20 5 FIBDRO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000506617547 1101570250 /nfs/dbraw/zinc/57/02/50/1101570250.db2.gz PCQNLJYAMRKSCU-GQCTYLIASA-N 1 0 360.417 4.274 20 5 FIBDRO CC(C)[C@H](O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537299428 1101622195 /nfs/dbraw/zinc/62/21/95/1101622195.db2.gz ZRAHEBKEUNTCPK-MRXNPFEDSA-N 1 0 352.818 4.005 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000506672329 1101742957 /nfs/dbraw/zinc/74/29/57/1101742957.db2.gz AZDNWFZADZRCTO-FNORWQNLSA-N 1 0 362.433 4.364 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000152553225 1101905465 /nfs/dbraw/zinc/90/54/65/1101905465.db2.gz RQCMKNUZEFWPMP-MAUKXSAKSA-N 1 0 373.453 4.074 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccccc1Cl ZINC000026224943 1101944233 /nfs/dbraw/zinc/94/42/33/1101944233.db2.gz BTRNHCRUROSWMY-UHFFFAOYSA-N 1 0 361.829 4.017 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccccc1Cl 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FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3c[nH]c4ncccc34)o2)cc1 ZINC000532783191 1103205773 /nfs/dbraw/zinc/20/57/73/1103205773.db2.gz HENBVSXLNIQAQV-UHFFFAOYSA-N 1 0 362.389 4.063 20 5 FIBDRO CC[N@H+](Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)C1CC1 ZINC000507221341 1103213993 /nfs/dbraw/zinc/21/39/93/1103213993.db2.gz IKPLGWLHYTWTHN-UHFFFAOYSA-N 1 0 356.422 4.167 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1cc(F)c(F)c(F)c1)C1CC1 ZINC000507437923 1103390445 /nfs/dbraw/zinc/39/04/45/1103390445.db2.gz AJNPQXQROBCKKH-QGZVFWFLSA-N 1 0 364.367 4.166 20 5 FIBDRO COCC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000507486354 1103433904 /nfs/dbraw/zinc/43/39/04/1103433904.db2.gz VKUKKQHKFPGDQI-JQHSSLGASA-N 1 0 358.438 4.266 20 5 FIBDRO CCSc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000507554451 1103477606 /nfs/dbraw/zinc/47/76/06/1103477606.db2.gz RPMANJIGUWUQPB-KGLIPLIRSA-N 1 0 373.478 4.385 20 5 FIBDRO 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O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)ccc1Oc1ccc(F)cc1 ZINC000536338363 1104757146 /nfs/dbraw/zinc/75/71/46/1104757146.db2.gz GGMVGVYVVUUFHG-XLIONFOSSA-N 1 0 372.396 4.183 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CC[C@@H](CO)CC3)o2)c(Cl)c1 ZINC000151419395 1104854098 /nfs/dbraw/zinc/85/40/98/1104854098.db2.gz WSZXZYQUYWJBFW-JOCQHMNTSA-N 1 0 364.829 4.149 20 5 FIBDRO COc1cc(F)c([C@H](C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000574703004 1105024200 /nfs/dbraw/zinc/02/42/00/1105024200.db2.gz KFWQZOFYYZMOAX-MEDUHNTESA-N 1 0 360.385 4.089 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CC2CCOCC2)ccc1Oc1ccc(F)cc1 ZINC000507897387 1105260317 /nfs/dbraw/zinc/26/03/17/1105260317.db2.gz SJLGSJKMJFNRFR-UHFFFAOYSA-N 1 0 360.385 4.042 20 5 FIBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000428074371 1105364904 /nfs/dbraw/zinc/36/49/04/1105364904.db2.gz HPASKIOMKRWYKW-QGZVFWFLSA-N 1 0 364.829 4.244 20 5 FIBDRO C[C@]1(O)CCCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000450958329 1106844145 /nfs/dbraw/zinc/84/41/45/1106844145.db2.gz MVSKJDFDIGYJGA-OLMNPRSZSA-N 1 0 352.862 4.154 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@@H]3C=C[C@H](CO)C3)cc2[N+](=O)[O-])cc1 ZINC000129748570 1106913017 /nfs/dbraw/zinc/91/30/17/1106913017.db2.gz XOGVOXMJOMBVRT-DLBZAZTESA-N 1 0 370.474 4.081 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000451101973 1106932172 /nfs/dbraw/zinc/93/21/72/1106932172.db2.gz GPUOMLNMQBXKKI-ZQIUZPCESA-N 1 0 373.478 4.059 20 5 FIBDRO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000530616719 1107193571 /nfs/dbraw/zinc/19/35/71/1107193571.db2.gz HEZIFPVLBVKXJB-GOSISDBHSA-N 1 0 368.458 4.455 20 5 FIBDRO O=[N+]([O-])c1cc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cs1 ZINC000530865478 1107369787 /nfs/dbraw/zinc/36/97/87/1107369787.db2.gz SJTHQJMETZOOSV-HXUWFJFHSA-N 1 0 371.506 4.144 20 5 FIBDRO Cn1ccc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 ZINC000530879427 1107381978 /nfs/dbraw/zinc/38/19/78/1107381978.db2.gz LBALQYHHXRKUBN-UHFFFAOYSA-N 1 0 355.369 4.155 20 5 FIBDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000475508867 1107605413 /nfs/dbraw/zinc/60/54/13/1107605413.db2.gz ASUKHNFFEPHNQZ-UHFFFAOYSA-N 1 0 350.422 4.090 20 5 FIBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000475514623 1107638253 /nfs/dbraw/zinc/63/82/53/1107638253.db2.gz XVHUTYWOIUXEEE-TXNVCOODSA-N 1 0 362.227 4.116 20 5 FIBDRO CCN(CC)C(=O)[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000531203847 1107645550 /nfs/dbraw/zinc/64/55/50/1107645550.db2.gz YHNKBCYOXNDDDV-JXFKEZNVSA-N 1 0 369.465 4.164 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](CO)c2ccccc2)s1 ZINC000531389556 1107843365 /nfs/dbraw/zinc/84/33/65/1107843365.db2.gz YBRXYSVYKGDSLK-MRXNPFEDSA-N 1 0 368.458 4.189 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000531451738 1107897380 /nfs/dbraw/zinc/89/73/80/1107897380.db2.gz CTAKSLLOJVZPNW-JSGCOSHPSA-N 1 0 360.376 4.452 20 5 FIBDRO COc1ccc(C[NH2+]C2CC(C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531445508 1107904251 /nfs/dbraw/zinc/90/42/51/1107904251.db2.gz LGGLQFIFPCWKKE-UHFFFAOYSA-N 1 0 356.422 4.071 20 5 FIBDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)CCO2 ZINC000186698134 1107956311 /nfs/dbraw/zinc/95/63/11/1107956311.db2.gz UNAWEOSBMHKQMN-KBXCAEBGSA-N 1 0 356.422 4.476 20 5 FIBDRO CCC(CC)[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000520189880 1107969709 /nfs/dbraw/zinc/96/97/09/1107969709.db2.gz AUDXLBCSHSWSQJ-UHFFFAOYSA-N 1 0 358.438 4.461 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)s1 ZINC000531609419 1108008213 /nfs/dbraw/zinc/00/82/13/1108008213.db2.gz JYXDKQNEYQHGFV-KYJSFNMBSA-N 1 0 358.463 4.371 20 5 FIBDRO C[C@H](O)C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000121492120 1108045384 /nfs/dbraw/zinc/04/53/84/1108045384.db2.gz AVHGUOBHDOTCEI-NDXORKPFSA-N 1 0 368.477 4.060 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](c3ccccc3)C3CCCC3)nc2c1 ZINC000444683108 1108083536 /nfs/dbraw/zinc/08/35/36/1108083536.db2.gz WYFSOFFEVMAQFG-HXUWFJFHSA-N 1 0 350.422 4.492 20 5 FIBDRO Cc1c([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000531704584 1108084305 /nfs/dbraw/zinc/08/43/05/1108084305.db2.gz MPHNGSVRAIISKE-AWEZNQCLSA-N 1 0 368.412 4.121 20 5 FIBDRO Cc1ccc(F)c(C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000444730528 1108118801 /nfs/dbraw/zinc/11/88/01/1108118801.db2.gz IFRYRDORJCISLV-UHFFFAOYSA-N 1 0 369.396 4.372 20 5 FIBDRO Cc1ccc2nc(C[NH2+][C@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])cn2c1 ZINC000520298039 1108308168 /nfs/dbraw/zinc/30/81/68/1108308168.db2.gz JMZDAWRLTGTNLB-LPHOPBHVSA-N 1 0 364.449 4.052 20 5 FIBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000453231782 1108308533 /nfs/dbraw/zinc/30/85/33/1108308533.db2.gz UFCLNNNOOMTRJJ-KPOBHBOGSA-N 1 0 368.433 4.427 20 5 FIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H](O)C(F)F ZINC000453270702 1108345290 /nfs/dbraw/zinc/34/52/90/1108345290.db2.gz PIQCQJCDQFIGFH-PKWAYOAASA-N 1 0 370.421 4.379 20 5 FIBDRO CCOc1cc2c(cc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)O[C@@H](C)C2 ZINC000531943858 1108385460 /nfs/dbraw/zinc/38/54/60/1108385460.db2.gz ULULGOBEMTVXGK-LSDHHAIUSA-N 1 0 370.449 4.476 20 5 FIBDRO C[C@H]1SCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000524035662 1108765715 /nfs/dbraw/zinc/76/57/15/1108765715.db2.gz AEPBTNDZKJWZHG-BEFAXECRSA-N 1 0 358.463 4.152 20 5 FIBDRO COc1ccc(OCC[NH2+][C@@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])c1 ZINC000475693006 1108780550 /nfs/dbraw/zinc/78/05/50/1108780550.db2.gz HNQZTVNEKIBBGP-LBPRGKRZSA-N 1 0 374.368 4.218 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2(C3CC3)CC2)cc1 ZINC000532373660 1108830767 /nfs/dbraw/zinc/83/07/67/1108830767.db2.gz WCGLAQJYHHVXIV-UHFFFAOYSA-N 1 0 374.444 4.480 20 5 FIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])CC(C)C ZINC000446044655 1109087471 /nfs/dbraw/zinc/08/74/71/1109087471.db2.gz VTTMYBLYPLGHPU-OAHLLOKOSA-N 1 0 369.893 4.043 20 5 FIBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000446227578 1109152645 /nfs/dbraw/zinc/15/26/45/1109152645.db2.gz QUWLERGWDRWWHV-UHFFFAOYSA-N 1 0 361.829 4.179 20 5 FIBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000446489334 1109241263 /nfs/dbraw/zinc/24/12/63/1109241263.db2.gz XQVKEECOCQLZEC-LJQANCHMSA-N 1 0 370.453 4.108 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]CCc2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-] ZINC000152214960 1109247960 /nfs/dbraw/zinc/24/79/60/1109247960.db2.gz MGKMZPCRWBZYNV-SNVBAGLBSA-N 1 0 359.373 4.272 20 5 FIBDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]2CCCO[C@H]21 ZINC000525195027 1109304622 /nfs/dbraw/zinc/30/46/22/1109304622.db2.gz DKZBLEKSKRMPBX-QXAKKESOSA-N 1 0 356.422 4.148 20 5 FIBDRO CC[C@H]1c2ccsc2CC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441171969 1109400147 /nfs/dbraw/zinc/40/01/47/1109400147.db2.gz GVGLXXRYRRONML-HNNXBMFYSA-N 1 0 362.451 4.053 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000525697637 1109481926 /nfs/dbraw/zinc/48/19/26/1109481926.db2.gz OQBIKPSVRYTANX-ZDUSSCGKSA-N 1 0 370.384 4.111 20 5 FIBDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000428483951 1109531192 /nfs/dbraw/zinc/53/11/92/1109531192.db2.gz KUSDYMUAALSMJV-LJQANCHMSA-N 1 0 360.479 4.308 20 5 FIBDRO Cc1ccccc1C[C@@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000447406708 1109535282 /nfs/dbraw/zinc/53/52/82/1109535282.db2.gz WVWOGUUFNZHTGP-QGZVFWFLSA-N 1 0 369.465 4.103 20 5 FIBDRO Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447517908 1109558727 /nfs/dbraw/zinc/55/87/27/1109558727.db2.gz AORVQTOYYMEWBB-LJQANCHMSA-N 1 0 364.449 4.310 20 5 FIBDRO COc1ccc(COCCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447527801 1109561935 /nfs/dbraw/zinc/56/19/35/1109561935.db2.gz FYHGDYFYYKUZOE-NRFANRHFSA-N 1 0 370.449 4.177 20 5 FIBDRO C[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCc2sccc2C1 ZINC000447563702 1109582872 /nfs/dbraw/zinc/58/28/72/1109582872.db2.gz RTKSVEPWOWXTGO-KUHUBIRLSA-N 1 0 371.506 4.070 20 5 FIBDRO CC(C)c1ccccc1OCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447588953 1109588323 /nfs/dbraw/zinc/58/83/23/1109588323.db2.gz VYINYQKQRHVBIO-ZWKOTPCHSA-N 1 0 372.469 4.067 20 5 FIBDRO Cc1oc2ccccc2c1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447606380 1109601001 /nfs/dbraw/zinc/60/10/01/1109601001.db2.gz MDUUBBLNDBUNRY-IAGOWNOFSA-N 1 0 354.410 4.119 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000527039128 1109674474 /nfs/dbraw/zinc/67/44/74/1109674474.db2.gz XLRMFFXUQHTQHZ-SDNWHVSQSA-N 1 0 362.376 4.432 20 5 FIBDRO C[N@H+](CCc1ccccn1)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000527357862 1109748964 /nfs/dbraw/zinc/74/89/64/1109748964.db2.gz JXUVEDARYBMKQL-UHFFFAOYSA-N 1 0 353.447 4.393 20 5 FIBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000527377200 1109754279 /nfs/dbraw/zinc/75/42/79/1109754279.db2.gz KXMMNSZGXFDUKP-UHFFFAOYSA-N 1 0 371.437 4.041 20 5 FIBDRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449085886 1109971044 /nfs/dbraw/zinc/97/10/44/1109971044.db2.gz PLXQQQBSASPSNG-CVEARBPZSA-N 1 0 369.465 4.300 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000449072490 1109972869 /nfs/dbraw/zinc/97/28/69/1109972869.db2.gz PTVVHUMQNCQYAC-HUUCEWRRSA-N 1 0 367.449 4.225 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000449099782 1109975969 /nfs/dbraw/zinc/97/59/69/1109975969.db2.gz UXHCIMBEGUQXLT-LKUPVBHCSA-N 1 0 354.450 4.283 20 5 FIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000237497263 1109996847 /nfs/dbraw/zinc/99/68/47/1109996847.db2.gz MUCITHDLBGJCPB-CHWSQXEVSA-N 1 0 361.829 4.316 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000449256829 1110008533 /nfs/dbraw/zinc/00/85/33/1110008533.db2.gz FUVRKSUGFYRLLO-OLZOCXBDSA-N 1 0 370.384 4.066 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000449293051 1110025519 /nfs/dbraw/zinc/02/55/19/1110025519.db2.gz TUHVMOKOACHVHP-LIRRHRJNSA-N 1 0 355.438 4.023 20 5 FIBDRO C[C@H](CCO)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000449358866 1110049015 /nfs/dbraw/zinc/04/90/15/1110049015.db2.gz OZMLJSJLHOHAKW-LBPRGKRZSA-N 1 0 352.818 4.006 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000449401520 1110058353 /nfs/dbraw/zinc/05/83/53/1110058353.db2.gz NAXLTQJSPVVKBX-GFCCVEGCSA-N 1 0 353.344 4.120 20 5 FIBDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000449425124 1110064477 /nfs/dbraw/zinc/06/44/77/1110064477.db2.gz GWESWQWGLFYAMQ-LBPRGKRZSA-N 1 0 352.818 4.149 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CCOC4(CCC4)C3)o2)c1 ZINC000449473589 1110082496 /nfs/dbraw/zinc/08/24/96/1110082496.db2.gz HWUSOLVZIVTJNI-HNNXBMFYSA-N 1 0 356.422 4.294 20 5 FIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cnc([C@@H]4CCCO4)s3)C2)cc1 ZINC000449495737 1110093064 /nfs/dbraw/zinc/09/30/64/1110093064.db2.gz DWPQQYQWCAGIOY-YJBOKZPZSA-N 1 0 373.478 4.282 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)s1 ZINC000129969135 1110318839 /nfs/dbraw/zinc/31/88/39/1110318839.db2.gz CWIWWZMDFZYJKO-AWEZNQCLSA-N 1 0 358.463 4.324 20 5 FIBDRO Cc1cc([C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)ccc1F ZINC000538324056 1111091170 /nfs/dbraw/zinc/09/11/70/1111091170.db2.gz YJNZGSYPXQPUEF-FQEVSTJZSA-N 1 0 371.412 4.112 20 5 FIBDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000538355035 1111107960 /nfs/dbraw/zinc/10/79/60/1111107960.db2.gz DSSKZJDJXODFCQ-SCLBCKFNSA-N 1 0 366.421 4.002 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOCC3CC3)o2)c(Cl)c1 ZINC000538401413 1111116259 /nfs/dbraw/zinc/11/62/59/1111116259.db2.gz ZJDOMRLAAYDXOD-UHFFFAOYSA-N 1 0 350.802 4.024 20 5 FIBDRO Cc1ccccc1[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000538425794 1111132237 /nfs/dbraw/zinc/13/22/37/1111132237.db2.gz BMOIPLCRMPLCOL-IBGZPJMESA-N 1 0 368.458 4.455 20 5 FIBDRO Cc1ccc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1[N+](=O)[O-] ZINC000538729585 1111266322 /nfs/dbraw/zinc/26/63/22/1111266322.db2.gz AJQHRMJLWPVLOS-UHFFFAOYSA-N 1 0 354.450 4.332 20 5 FIBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000538738175 1111271707 /nfs/dbraw/zinc/27/17/07/1111271707.db2.gz DRFGHHJCASADIF-QAPCUYQASA-N 1 0 357.454 4.159 20 5 FIBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCO1 ZINC000538775155 1111286077 /nfs/dbraw/zinc/28/60/77/1111286077.db2.gz OKBNXGLDPKKWGR-BBRMVZONSA-N 1 0 360.385 4.183 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]CCOc2ncccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000539052510 1111401638 /nfs/dbraw/zinc/40/16/38/1111401638.db2.gz IVSIAWXADXWIIB-GFCCVEGCSA-N 1 0 369.343 4.047 20 5 FIBDRO C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539054859 1111402059 /nfs/dbraw/zinc/40/20/59/1111402059.db2.gz UFCMRFGUPXURQW-WDEREUQCSA-N 1 0 374.384 4.287 20 5 FIBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1sccc1Br ZINC000539056717 1111403980 /nfs/dbraw/zinc/40/39/80/1111403980.db2.gz XCADHTJDKNZOAZ-SNVBAGLBSA-N 1 0 355.257 4.312 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CC2(O)CCC2)cc1 ZINC000238142605 1111416618 /nfs/dbraw/zinc/41/66/18/1111416618.db2.gz KGSWSMRGNXSCCW-UHFFFAOYSA-N 1 0 362.813 4.045 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000539069919 1111417477 /nfs/dbraw/zinc/41/74/77/1111417477.db2.gz FNLIAKDCAHIFLI-UONOGXRCSA-N 1 0 373.840 4.013 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000539071048 1111418606 /nfs/dbraw/zinc/41/86/06/1111418606.db2.gz MHESXBKHPVLVKO-AWEZNQCLSA-N 1 0 368.462 4.315 20 5 FIBDRO Cc1cc(NCc2ccc(OC3CC[NH+](C)CC3)cc2)c(F)cc1[N+](=O)[O-] ZINC000461947990 1111445489 /nfs/dbraw/zinc/44/54/89/1111445489.db2.gz LQWVYERTARUBFV-UHFFFAOYSA-N 1 0 373.428 4.127 20 5 FIBDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4ccc([N+](=O)[O-])cc4F)C3)nc2c1 ZINC000539247584 1111485665 /nfs/dbraw/zinc/48/56/65/1111485665.db2.gz IDUPLAURYWXVAO-HNNXBMFYSA-N 1 0 368.412 4.298 20 5 FIBDRO CCOc1ccccc1[C@H](CC)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000539252801 1111487625 /nfs/dbraw/zinc/48/76/25/1111487625.db2.gz OHSNUYBGQJKJHT-KDOFPFPSSA-N 1 0 371.437 4.061 20 5 FIBDRO CC(C)(C)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000539304546 1111513759 /nfs/dbraw/zinc/51/37/59/1111513759.db2.gz XFMNBEWSDIMWOH-HNNXBMFYSA-N 1 0 370.375 4.187 20 5 FIBDRO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000539334060 1111517668 /nfs/dbraw/zinc/51/76/68/1111517668.db2.gz LTXJGUZVOZRBKP-GOSISDBHSA-N 1 0 359.401 4.049 20 5 FIBDRO COC[C@H]1CCN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000552084001 1111577319 /nfs/dbraw/zinc/57/73/19/1111577319.db2.gz HZSOWNBHVYRTAX-CQSZACIVSA-N 1 0 362.813 4.261 20 5 FIBDRO Cc1cccc([C@@H](C)C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000552244433 1111636256 /nfs/dbraw/zinc/63/62/56/1111636256.db2.gz AFMFJVRTCFKNKZ-JXFKEZNVSA-N 1 0 364.449 4.119 20 5 FIBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000478046332 1111663646 /nfs/dbraw/zinc/66/36/46/1111663646.db2.gz MSJTWEBPEYGVMW-FQEVSTJZSA-N 1 0 368.412 4.042 20 5 FIBDRO COc1cc2c(cc1OC)[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000479415488 1112020142 /nfs/dbraw/zinc/02/01/42/1112020142.db2.gz YJIPDRIMPYEXKF-LJQANCHMSA-N 1 0 370.449 4.212 20 5 FIBDRO Cc1c(C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)cccc1[N+](=O)[O-] ZINC000479464434 1112034460 /nfs/dbraw/zinc/03/44/60/1112034460.db2.gz VCWBOWCLNBUOJS-LJQANCHMSA-N 1 0 362.433 4.256 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000479523319 1112052751 /nfs/dbraw/zinc/05/27/51/1112052751.db2.gz DQSIDPBRTOLZIZ-OQIJWPOYSA-N 1 0 372.444 4.340 20 5 FIBDRO CC[C@@H]([NH2+]CCCn1c(C)nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000480078844 1112264858 /nfs/dbraw/zinc/26/48/58/1112264858.db2.gz BHKRRJRIQGZJLB-GOSISDBHSA-N 1 0 352.438 4.384 20 5 FIBDRO Cc1c([C@H](C)[NH2+]CCCN2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000480231094 1112342516 /nfs/dbraw/zinc/34/25/16/1112342516.db2.gz NDCOKWKTHZQLGW-KRWDZBQOSA-N 1 0 353.466 4.002 20 5 FIBDRO Cc1c(C[NH2+]Cc2cccc(OCc3ccccn3)c2)cccc1[N+](=O)[O-] ZINC000480449584 1112433775 /nfs/dbraw/zinc/43/37/75/1112433775.db2.gz ZRJHDZIBYKWJPO-UHFFFAOYSA-N 1 0 363.417 4.167 20 5 FIBDRO Cc1c(C[NH2+]Cc2ccccc2OCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000480477924 1112439949 /nfs/dbraw/zinc/43/99/49/1112439949.db2.gz BYGRYWSKWFRYTQ-UHFFFAOYSA-N 1 0 354.328 4.134 20 5 FIBDRO CC(C)(C)c1cnc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000554723654 1112462948 /nfs/dbraw/zinc/46/29/48/1112462948.db2.gz NHNQQNRXNFMMHQ-UHFFFAOYSA-N 1 0 358.467 4.162 20 5 FIBDRO COCCC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCCC1 ZINC000480757548 1112589373 /nfs/dbraw/zinc/58/93/73/1112589373.db2.gz LZQRMUJDRFREKQ-LJQANCHMSA-N 1 0 360.498 4.493 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1conc1Cc1ccccc1 ZINC000555576356 1112931383 /nfs/dbraw/zinc/93/13/83/1112931383.db2.gz BWCMQMNGXOUZRF-UHFFFAOYSA-N 1 0 371.824 4.159 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cc[nH]c(=O)c1 ZINC000555607125 1112944118 /nfs/dbraw/zinc/94/41/18/1112944118.db2.gz VWQBMJOIMUOZLC-LLVKDONJSA-N 1 0 373.796 4.460 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000160494983 1113395149 /nfs/dbraw/zinc/39/51/49/1113395149.db2.gz YDBIIWFIGRIXQR-FQEVSTJZSA-N 1 0 368.481 4.467 20 5 FIBDRO C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483147815 1113454312 /nfs/dbraw/zinc/45/43/12/1113454312.db2.gz SMFDLTJNXZHRFL-CYBMUJFWSA-N 1 0 373.478 4.020 20 5 FIBDRO CCCOc1ccc(C(C)(C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000483284377 1113480378 /nfs/dbraw/zinc/48/03/78/1113480378.db2.gz KRVQRXLKLPZGCJ-UHFFFAOYSA-N 1 0 358.438 4.417 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000486458740 1113569765 /nfs/dbraw/zinc/56/97/65/1113569765.db2.gz SKBAERGYMNQQMT-QGZVFWFLSA-N 1 0 361.467 4.052 20 5 FIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)CC3 ZINC000486491840 1113583837 /nfs/dbraw/zinc/58/38/37/1113583837.db2.gz SSMDDNCKECYKOF-CQSZACIVSA-N 1 0 353.397 4.171 20 5 FIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC000027449312 1113646311 /nfs/dbraw/zinc/64/63/11/1113646311.db2.gz UJCKGFFSBLREJG-DNVCBOLYSA-N 1 0 355.438 4.217 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000150324820 1113900685 /nfs/dbraw/zinc/90/06/85/1113900685.db2.gz KDHGVXXPUAMIPW-AWEZNQCLSA-N 1 0 359.401 4.064 20 5 FIBDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000489092584 1114049191 /nfs/dbraw/zinc/04/91/91/1114049191.db2.gz CEPYUHWNPRZLRL-GOSISDBHSA-N 1 0 356.422 4.121 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1ccco1)C1CCCC1 ZINC000138780053 1114138235 /nfs/dbraw/zinc/13/82/35/1114138235.db2.gz IIVMFEZVAQQYPH-UHFFFAOYSA-N 1 0 371.437 4.270 20 5 FIBDRO COc1cc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] ZINC000489980368 1114201548 /nfs/dbraw/zinc/20/15/48/1114201548.db2.gz RGKLGURWDQNPSQ-UHFFFAOYSA-N 1 0 366.339 4.401 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC(O)(c3ccccc3)CC2)c(Cl)c1 ZINC000760645870 1114397060 /nfs/dbraw/zinc/39/70/60/1114397060.db2.gz GVUQFGFFZXZBCN-UHFFFAOYSA-N 1 0 360.841 4.168 20 5 FIBDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000055152030 1114421389 /nfs/dbraw/zinc/42/13/89/1114421389.db2.gz KCOYWIPSCGFSDR-CABCVRRESA-N 1 0 371.437 4.060 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000571178375 1114437407 /nfs/dbraw/zinc/43/74/07/1114437407.db2.gz BMDSKMKVGFZOTF-NBHGPNQESA-N 1 0 352.434 4.340 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1N1CCCCC1 ZINC000571225293 1114448246 /nfs/dbraw/zinc/44/82/46/1114448246.db2.gz YCAYLSYBZUMNTC-IBGZPJMESA-N 1 0 351.450 4.362 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2ccccc21 ZINC000056197256 1114658127 /nfs/dbraw/zinc/65/81/27/1114658127.db2.gz ZXQRWEJZDGTIHS-LSDHHAIUSA-N 1 0 363.417 4.426 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCCOc4cc(F)ccc43)c2c1 ZINC000588959468 1114681248 /nfs/dbraw/zinc/68/12/48/1114681248.db2.gz BNBCPYBQBSMIEB-SFHVURJKSA-N 1 0 369.396 4.261 20 5 FIBDRO COC(=O)c1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000590712364 1114966325 /nfs/dbraw/zinc/96/63/25/1114966325.db2.gz SBKMEUKUGYWQQX-UHFFFAOYSA-N 1 0 362.813 4.060 20 5 FIBDRO Cc1c(C[NH2+][C@@H](c2ccccc2)C2(CO)CC=CC2)cccc1[N+](=O)[O-] ZINC000592175259 1115218821 /nfs/dbraw/zinc/21/88/21/1115218821.db2.gz GQWLETOOLKPLBN-FQEVSTJZSA-N 1 0 352.434 4.063 20 5 FIBDRO O=[N+]([O-])c1ccc(CN2CCC3(CC2)C(F)(F)C3(F)F)c(Cl)c1 ZINC000593054925 1115283274 /nfs/dbraw/zinc/28/32/74/1115283274.db2.gz NVACTONGQRWHEG-UHFFFAOYSA-N 1 0 352.715 4.115 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000574052792 1115287738 /nfs/dbraw/zinc/28/77/38/1115287738.db2.gz BWQHSKWDGWQSBT-UIAACRFSSA-N 1 0 352.434 4.340 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](c2ccccc2)C2CC2)n1 ZINC000574059881 1115288490 /nfs/dbraw/zinc/28/84/90/1115288490.db2.gz XIJKOYVLZNHJEZ-GUDVDZBRSA-N 1 0 354.454 4.058 20 5 FIBDRO C[C@@H]1CC2(C[N@@H+]1Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CCOCC2 ZINC000592526021 1115341720 /nfs/dbraw/zinc/34/17/20/1115341720.db2.gz FMFXGBZXACKUIF-OAHLLOKOSA-N 1 0 356.422 4.246 20 5 FIBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000593870867 1115352506 /nfs/dbraw/zinc/35/25/06/1115352506.db2.gz FEYMMGXXCYAKDK-IRXDYDNUSA-N 1 0 361.489 4.381 20 5 FIBDRO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000594503318 1115451594 /nfs/dbraw/zinc/45/15/94/1115451594.db2.gz JJKZBAJFXWKNCD-BFUOFWGJSA-N 1 0 354.406 4.110 20 5 FIBDRO COC[C@H](C)Oc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000594935198 1115500953 /nfs/dbraw/zinc/50/09/53/1115500953.db2.gz DVNZNCUMPXBOPR-HNNXBMFYSA-N 1 0 358.438 4.033 20 5 FIBDRO COc1ccc(C[NH2+][C@]23C[C@H]2CCC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594950978 1115502024 /nfs/dbraw/zinc/50/20/24/1115502024.db2.gz LQPGCMRIZQFKEM-DYESRHJHSA-N 1 0 368.433 4.215 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000595015895 1115503935 /nfs/dbraw/zinc/50/39/35/1115503935.db2.gz VKFJVSGFZPDYEL-YYFZDKIDSA-N 1 0 356.422 4.032 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000595015504 1115503972 /nfs/dbraw/zinc/50/39/72/1115503972.db2.gz YSFKFIAFZGXHHI-HUUCEWRRSA-N 1 0 366.421 4.201 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000595014004 1115504220 /nfs/dbraw/zinc/50/42/20/1115504220.db2.gz KYGYVNSZUCODPP-NSHDSACASA-N 1 0 354.328 4.473 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000595023923 1115505018 /nfs/dbraw/zinc/50/50/18/1115505018.db2.gz ZZVAAIVGQPHYAI-HNAYVOBHSA-N 1 0 372.465 4.056 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000595003878 1115507102 /nfs/dbraw/zinc/50/71/02/1115507102.db2.gz MRNPNNUTUZWSME-JXFKEZNVSA-N 1 0 369.465 4.091 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCc1noc2ccccc12 ZINC000595047160 1115511733 /nfs/dbraw/zinc/51/17/33/1115511733.db2.gz AZBHXMIRSGHBNU-QAPCUYQASA-N 1 0 365.433 4.280 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000595052548 1115512624 /nfs/dbraw/zinc/51/26/24/1115512624.db2.gz ZFSFVZLAISJOKX-HLIUYOAVSA-N 1 0 350.459 4.238 20 5 FIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c(C)c1OC ZINC000595052773 1115512737 /nfs/dbraw/zinc/51/27/37/1115512737.db2.gz VTYWYGXZELQDGQ-KBPBESRZSA-N 1 0 374.437 4.341 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1c(C2CCC2)cnn1C ZINC000595099111 1115516173 /nfs/dbraw/zinc/51/61/73/1115516173.db2.gz RBLAQFKDHFERSN-HNNXBMFYSA-N 1 0 374.510 4.256 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000575072725 1115533012 /nfs/dbraw/zinc/53/30/12/1115533012.db2.gz AXARZZDIZBODTP-SRWJYRBRSA-N 1 0 354.450 4.110 20 5 FIBDRO Cc1noc(C[NH2+][C@H](C)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC000595426650 1115535604 /nfs/dbraw/zinc/53/56/04/1115535604.db2.gz PFMAYAXZWBCLQK-CQSZACIVSA-N 1 0 351.406 4.201 20 5 FIBDRO CC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000593019697 1115537738 /nfs/dbraw/zinc/53/77/38/1115537738.db2.gz IUHFBUJIOOUHAR-MRXNPFEDSA-N 1 0 362.813 4.276 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595508760 1115539618 /nfs/dbraw/zinc/53/96/18/1115539618.db2.gz KRSLSKCLJVELEU-QGZVFWFLSA-N 1 0 353.466 4.218 20 5 FIBDRO COc1cc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)ccc1[N+](=O)[O-] ZINC000595879705 1115565501 /nfs/dbraw/zinc/56/55/01/1115565501.db2.gz VFYRCIFPEXYKSA-UHFFFAOYSA-N 1 0 366.417 4.044 20 5 FIBDRO CCn1nccc1C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000596096670 1115574828 /nfs/dbraw/zinc/57/48/28/1115574828.db2.gz WXMIXKRFPAKYBW-ZDUSSCGKSA-N 1 0 356.451 4.391 20 5 FIBDRO C[NH+](C)C1CCC2(CC1)CCN(c1nccc3ccc([N+](=O)[O-])cc31)CC2 ZINC000596256045 1115582230 /nfs/dbraw/zinc/58/22/30/1115582230.db2.gz XGXZOZWZLJFQGW-UHFFFAOYSA-N 1 0 368.481 4.234 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000596652863 1115603982 /nfs/dbraw/zinc/60/39/82/1115603982.db2.gz QDIHWRPGZQXOJY-RDJZCZTQSA-N 1 0 357.479 4.325 20 5 FIBDRO CC1CCN([C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000060527700 1115660743 /nfs/dbraw/zinc/66/07/43/1115660743.db2.gz PBSDGUOCBVMBKD-NRFANRHFSA-N 1 0 353.466 4.158 20 5 FIBDRO CC(=O)c1ccc(NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000060862695 1115719868 /nfs/dbraw/zinc/71/98/68/1115719868.db2.gz LVFXVAAFPBWERG-OAQYLSRUSA-N 1 0 367.449 4.355 20 5 FIBDRO COCCC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000061002870 1115747633 /nfs/dbraw/zinc/74/76/33/1115747633.db2.gz AVUUQBWWIDBAMT-UHFFFAOYSA-N 1 0 350.802 4.167 20 5 FIBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(C)ccc1C ZINC000599008257 1115776700 /nfs/dbraw/zinc/77/67/00/1115776700.db2.gz XFRASESFQPPWKT-LJQANCHMSA-N 1 0 356.422 4.319 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CC[C@@H]2CCCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000599058147 1115785225 /nfs/dbraw/zinc/78/52/25/1115785225.db2.gz RRBGXWJOXUYUOF-MGPUTAFESA-N 1 0 358.438 4.246 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000603497579 1115785687 /nfs/dbraw/zinc/78/56/87/1115785687.db2.gz DSUAOKSXYHBFSS-GOSISDBHSA-N 1 0 373.840 4.332 20 5 FIBDRO C[N@@H+]1CCCC[C@@H](CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000599070733 1115787124 /nfs/dbraw/zinc/78/71/24/1115787124.db2.gz OGHJDWFKUBQJPS-LAUBAEHRSA-N 1 0 353.466 4.006 20 5 FIBDRO COc1ccc([C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C2CC2)cn1 ZINC000599095517 1115788893 /nfs/dbraw/zinc/78/88/93/1115788893.db2.gz GALVYHCPGFRDBG-QUCCMNQESA-N 1 0 367.449 4.462 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](c2ccc(OC)nc2)C2CC2)cc1[N+](=O)[O-] ZINC000599095992 1115789167 /nfs/dbraw/zinc/78/91/67/1115789167.db2.gz KCIILGFBIZDBPX-RBZFPXEDSA-N 1 0 371.437 4.199 20 5 FIBDRO C[NH+](C)C[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccc(Cl)c(Cl)c1 ZINC000599171677 1115796780 /nfs/dbraw/zinc/79/67/80/1115796780.db2.gz BWNAGXRBCPKJKM-NSHDSACASA-N 1 0 361.254 4.073 20 5 FIBDRO COc1ccc(C[N@H+](C)CCCOc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000603869861 1115824203 /nfs/dbraw/zinc/82/42/03/1115824203.db2.gz SAKBVEYXYVCHQJ-UHFFFAOYSA-N 1 0 364.829 4.158 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000599640064 1115833435 /nfs/dbraw/zinc/83/34/35/1115833435.db2.gz AKIOQYXCKSLFMN-AWEZNQCLSA-N 1 0 370.453 4.261 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1cccc(F)c1)C(C)C ZINC000604435041 1115865388 /nfs/dbraw/zinc/86/53/88/1115865388.db2.gz QNRRMUOGSLCVTF-UHFFFAOYSA-N 1 0 373.428 4.282 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCc1ccccc1)CC(C)C ZINC000604459666 1115867015 /nfs/dbraw/zinc/86/70/15/1115867015.db2.gz FLCSTNMSYFQWCC-UHFFFAOYSA-N 1 0 369.465 4.042 20 5 FIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCc3noc4ccccc43)C2)cc1 ZINC000594005320 1115957377 /nfs/dbraw/zinc/95/73/77/1115957377.db2.gz HBCUIHHHNYAWTQ-MRXNPFEDSA-N 1 0 351.406 4.158 20 5 FIBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1F ZINC000594019163 1115961901 /nfs/dbraw/zinc/96/19/01/1115961901.db2.gz BYMOTQLPGGXITK-MRXNPFEDSA-N 1 0 359.401 4.112 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)C2CCC(F)(F)CC2)cccc1[N+](=O)[O-] ZINC000594044391 1115977808 /nfs/dbraw/zinc/97/78/08/1115977808.db2.gz PJKCZBQAXDOKIJ-STQMWFEESA-N 1 0 369.412 4.034 20 5 FIBDRO CC(C)c1ccc(C[NH2+]Cc2ccccc2Cn2ccnc2)cc1[N+](=O)[O-] ZINC000075758133 1116113844 /nfs/dbraw/zinc/11/38/44/1116113844.db2.gz UILNNCQEKUTLAB-UHFFFAOYSA-N 1 0 364.449 4.253 20 5 FIBDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000608780232 1116128348 /nfs/dbraw/zinc/12/83/48/1116128348.db2.gz OVVZTUZMUZLBDW-UHFFFAOYSA-N 1 0 369.396 4.454 20 5 FIBDRO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC3(CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000608833422 1116130800 /nfs/dbraw/zinc/13/08/00/1116130800.db2.gz XQJZXTYSCQDCCZ-MRXNPFEDSA-N 1 0 359.470 4.277 20 5 FIBDRO CN(C)[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1 ZINC000608835503 1116130926 /nfs/dbraw/zinc/13/09/26/1116130926.db2.gz OMFMKXDCFGPECO-HXUWFJFHSA-N 1 0 365.433 4.247 20 5 FIBDRO CN(CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000608835591 1116131010 /nfs/dbraw/zinc/13/10/10/1116131010.db2.gz AYIZLMPHOGSECV-UHFFFAOYSA-N 1 0 351.406 4.081 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCN4CCCC[C@H]34)s2)cc1 ZINC000608836008 1116131240 /nfs/dbraw/zinc/13/12/40/1116131240.db2.gz GSGRQPUHVODOTB-QZTJIDSGSA-N 1 0 357.479 4.040 20 5 FIBDRO C[C@@H](C[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000534855284 1116243153 /nfs/dbraw/zinc/24/31/53/1116243153.db2.gz NYMPPWJZGDXOFN-HNNXBMFYSA-N 1 0 351.406 4.485 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(CCO)CC3)o2)c(Cl)c1 ZINC000535068791 1116266774 /nfs/dbraw/zinc/26/67/74/1116266774.db2.gz AEFFWEAFBYEBGN-UHFFFAOYSA-N 1 0 364.829 4.103 20 5 FIBDRO CC(C)[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000152768808 1116323835 /nfs/dbraw/zinc/32/38/35/1116323835.db2.gz CLXPOJIVPTXCOE-VLIAUNLRSA-N 1 0 356.422 4.414 20 5 FIBDRO CC(C)[C@@H](O)C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000539588906 1116349687 /nfs/dbraw/zinc/34/96/87/1116349687.db2.gz VRXRCJKIFDVKHP-GOSISDBHSA-N 1 0 360.479 4.210 20 5 FIBDRO CCC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CCCCO1 ZINC000089912261 1116351665 /nfs/dbraw/zinc/35/16/65/1116351665.db2.gz YZYIRMVOOMYVJF-GOSISDBHSA-N 1 0 359.426 4.031 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3C3CCOCC3)o2)cc1 ZINC000539669157 1116363549 /nfs/dbraw/zinc/36/35/49/1116363549.db2.gz LWRJYMQHGDSTKY-IBGZPJMESA-N 1 0 356.422 4.246 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+][C@]2(C)CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000539808173 1116383338 /nfs/dbraw/zinc/38/33/38/1116383338.db2.gz YGISILVRZHBZGD-OAQYLSRUSA-N 1 0 367.449 4.073 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000462731976 1117739576 /nfs/dbraw/zinc/73/95/76/1117739576.db2.gz RTWZJFZZEPZASB-MRXNPFEDSA-N 1 0 359.857 4.315 20 5 FIBDRO Cc1ccc(O[C@H](C)C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000462733006 1117739937 /nfs/dbraw/zinc/73/99/37/1117739937.db2.gz GDRJHWAEESSBFB-CYBMUJFWSA-N 1 0 366.364 4.062 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](OC)c1ccc(Cl)cc1 ZINC000462737998 1117742964 /nfs/dbraw/zinc/74/29/64/1117742964.db2.gz JVTFSFAVNVPWKA-SFHVURJKSA-N 1 0 364.829 4.124 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000462738234 1117743484 /nfs/dbraw/zinc/74/34/84/1117743484.db2.gz YNJKKKQHDGFTTE-DNVCBOLYSA-N 1 0 367.449 4.002 20 5 FIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000462844094 1117815809 /nfs/dbraw/zinc/81/58/09/1117815809.db2.gz VWRLFOXRKKRFBM-GFCCVEGCSA-N 1 0 363.364 4.039 20 5 FIBDRO Cc1cnc(NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c([N+](=O)[O-])c1 ZINC000463047193 1117939474 /nfs/dbraw/zinc/93/94/74/1117939474.db2.gz CKXHBELNHOAZKT-MRXNPFEDSA-N 1 0 354.454 4.285 20 5 FIBDRO C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540220424 1117950121 /nfs/dbraw/zinc/95/01/21/1117950121.db2.gz VMFYBZXBFJHEFQ-VXMWWYGOSA-N 1 0 366.508 4.131 20 5 FIBDRO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540220422 1117950350 /nfs/dbraw/zinc/95/03/50/1117950350.db2.gz VMFYBZXBFJHEFQ-IPKGXFCISA-N 1 0 366.508 4.131 20 5 FIBDRO C[C@H]([NH2+]C1CCN(CCc2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000463085358 1117965406 /nfs/dbraw/zinc/96/54/06/1117965406.db2.gz PVVAIMOOCJTYIV-INIZCTEOSA-N 1 0 371.456 4.092 20 5 FIBDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000463189537 1118006450 /nfs/dbraw/zinc/00/64/50/1118006450.db2.gz ATIASSCSAWWBQR-GPDMMJAESA-N 1 0 368.424 4.025 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000122361988 1118042929 /nfs/dbraw/zinc/04/29/29/1118042929.db2.gz PBCYDHINTAELDZ-AWEZNQCLSA-N 1 0 371.412 4.361 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000122361815 1118049210 /nfs/dbraw/zinc/04/92/10/1118049210.db2.gz PBCYDHINTAELDZ-CQSZACIVSA-N 1 0 371.412 4.361 20 5 FIBDRO CCC[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000540476992 1118079044 /nfs/dbraw/zinc/07/90/44/1118079044.db2.gz GUGPUYXIJUXFQF-LPHOPBHVSA-N 1 0 369.465 4.211 20 5 FIBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000463948274 1118384554 /nfs/dbraw/zinc/38/45/54/1118384554.db2.gz GKYVLBICMLDNJE-KRWDZBQOSA-N 1 0 374.441 4.009 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CC2(CCO)CCCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541543869 1118549554 /nfs/dbraw/zinc/54/95/54/1118549554.db2.gz UCGVYJPNWDWKLW-HXUWFJFHSA-N 1 0 372.465 4.372 20 5 FIBDRO COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000541555807 1118561905 /nfs/dbraw/zinc/56/19/05/1118561905.db2.gz NNRDBWMOXYQDJU-KPZWWZAWSA-N 1 0 364.829 4.123 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)cc1[N+](=O)[O-] ZINC000122450033 1118567538 /nfs/dbraw/zinc/56/75/38/1118567538.db2.gz QYQAGDGIFBEMKU-HNNXBMFYSA-N 1 0 367.449 4.493 20 5 FIBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000541626908 1118587868 /nfs/dbraw/zinc/58/78/68/1118587868.db2.gz ISNKUJLEEOKQQO-MNOVXSKESA-N 1 0 367.858 4.378 20 5 FIBDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000542306044 1118895433 /nfs/dbraw/zinc/89/54/33/1118895433.db2.gz CKKGYNTZUGUOQG-HNNXBMFYSA-N 1 0 370.405 4.185 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000549865182 1118953150 /nfs/dbraw/zinc/95/31/50/1118953150.db2.gz DDTFDXISMCJRBG-INIZCTEOSA-N 1 0 358.360 4.006 20 5 FIBDRO CC[N@H+](CCNc1cc(C)nc2c1cccc2[N+](=O)[O-])CCC(F)(F)F ZINC000491601741 1118967647 /nfs/dbraw/zinc/96/76/47/1118967647.db2.gz NXKJKMHIBFMOOM-UHFFFAOYSA-N 1 0 370.375 4.138 20 5 FIBDRO CC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000491890270 1118990744 /nfs/dbraw/zinc/99/07/44/1118990744.db2.gz NMNXEASCPHSPFO-CYBMUJFWSA-N 1 0 358.385 4.012 20 5 FIBDRO CC(C)([NH2+]Cc1ccc(OCC(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000492445211 1119094687 /nfs/dbraw/zinc/09/46/87/1119094687.db2.gz UMLKJRRBVFYSSD-UHFFFAOYSA-N 1 0 350.365 4.264 20 5 FIBDRO CCOc1cc(C[N@H+](C)[C@@H]2CCCc3nc(C)sc32)ccc1[N+](=O)[O-] ZINC000492533205 1119119644 /nfs/dbraw/zinc/11/96/44/1119119644.db2.gz IXDFHWVYKOUIPH-MRXNPFEDSA-N 1 0 361.467 4.268 20 5 FIBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)CC(C)C ZINC000443964811 1119142422 /nfs/dbraw/zinc/14/24/22/1119142422.db2.gz VEMHHAKRTWMLGV-MRXNPFEDSA-N 1 0 364.490 4.090 20 5 FIBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000492771369 1119189859 /nfs/dbraw/zinc/18/98/59/1119189859.db2.gz MCGFLPLYVNMHMC-ATZDWAIDSA-N 1 0 362.470 4.019 20 5 FIBDRO CCOc1cc(C[NH+]2CCC(n3c(C)ccc3C)CC2)ccc1[N+](=O)[O-] ZINC000492795077 1119193509 /nfs/dbraw/zinc/19/35/09/1119193509.db2.gz YOSKDRBGPRJJHI-UHFFFAOYSA-N 1 0 357.454 4.249 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)cc1OCC ZINC000492937233 1119218452 /nfs/dbraw/zinc/21/84/52/1119218452.db2.gz QGVWFFMKYKEIMR-AWEZNQCLSA-N 1 0 374.437 4.252 20 5 FIBDRO CCC(CC)(CCO)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493151592 1119318738 /nfs/dbraw/zinc/31/87/38/1119318738.db2.gz REZADOZKOBTONC-FQEVSTJZSA-N 1 0 356.466 4.463 20 5 FIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761507055 1119403095 /nfs/dbraw/zinc/40/30/95/1119403095.db2.gz SPEVNLIDPAOMRD-IIAWOOMASA-N 1 0 351.878 4.085 20 5 FIBDRO C[NH+](C)[C@@H]1CCC[C@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000493277079 1119438412 /nfs/dbraw/zinc/43/84/12/1119438412.db2.gz ONYHEGIMJYONOE-QKNQBKEWSA-N 1 0 353.466 4.147 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCC[C@H]3Cc3ccccc3)nc2c1 ZINC000493521891 1119473121 /nfs/dbraw/zinc/47/31/21/1119473121.db2.gz HAXAWCQEGTYCET-RDJZCZTQSA-N 1 0 351.406 4.237 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000152702839 1119487417 /nfs/dbraw/zinc/48/74/17/1119487417.db2.gz XJOVKXPLYMLBMT-SJCJKPOMSA-N 1 0 364.829 4.031 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000152702726 1119487564 /nfs/dbraw/zinc/48/75/64/1119487564.db2.gz XJOVKXPLYMLBMT-PXAZEXFGSA-N 1 0 364.829 4.031 20 5 FIBDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494036511 1119526683 /nfs/dbraw/zinc/52/66/83/1119526683.db2.gz CVVNKTZOTUPQCL-MGPUTAFESA-N 1 0 370.449 4.394 20 5 FIBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494036510 1119526999 /nfs/dbraw/zinc/52/69/99/1119526999.db2.gz CVVNKTZOTUPQCL-FOIQADDNSA-N 1 0 370.449 4.394 20 5 FIBDRO CCc1ccc([C@H](NC2CC[NH+](C(C)C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542475627 1119612650 /nfs/dbraw/zinc/61/26/50/1119612650.db2.gz BXGDQMPUOTUFFF-OAQYLSRUSA-N 1 0 371.481 4.302 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCc2csc(C)n2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542477347 1119626914 /nfs/dbraw/zinc/62/69/14/1119626914.db2.gz HKHAUPFLPDWTHS-LJQANCHMSA-N 1 0 371.462 4.437 20 5 FIBDRO C[N@H+](CCSc1c2ccccc2ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000487762293 1119820723 /nfs/dbraw/zinc/82/07/23/1119820723.db2.gz PRLXSGQFIPLPCV-UHFFFAOYSA-N 1 0 353.447 4.367 20 5 FIBDRO CC(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccnc1 ZINC000494491941 1119879359 /nfs/dbraw/zinc/87/93/59/1119879359.db2.gz FGDPXFNPVLEUGF-INIZCTEOSA-N 1 0 353.344 4.496 20 5 FIBDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494519558 1119887064 /nfs/dbraw/zinc/88/70/64/1119887064.db2.gz BRIZONRODYCQQP-SJKOYZFVSA-N 1 0 368.355 4.479 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc(C(F)(F)F)c1 ZINC000494530743 1119894961 /nfs/dbraw/zinc/89/49/61/1119894961.db2.gz XRSXYCMIRRENLQ-XOKHGSTOSA-N 1 0 372.387 4.299 20 5 FIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000494956274 1120394044 /nfs/dbraw/zinc/39/40/44/1120394044.db2.gz UCGDFBYMFMCUAM-BEFAXECRSA-N 1 0 358.413 4.034 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)ccc1Oc1ccc(F)cc1 ZINC000495184706 1120531316 /nfs/dbraw/zinc/53/13/16/1120531316.db2.gz PNNFULMNSPVKFZ-CRAIPNDOSA-N 1 0 374.412 4.167 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000090527216 1120727090 /nfs/dbraw/zinc/72/70/90/1120727090.db2.gz YHCZSKOBWVNVQP-QXAKKESOSA-N 1 0 358.482 4.387 20 5 FIBDRO COC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000495379903 1120767034 /nfs/dbraw/zinc/76/70/34/1120767034.db2.gz NATJFPDSBWBMRW-INIZCTEOSA-N 1 0 370.783 4.046 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCCc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000153239132 1120771959 /nfs/dbraw/zinc/77/19/59/1120771959.db2.gz MJBJOKGVEPMDBR-AWEZNQCLSA-N 1 0 368.437 4.153 20 5 FIBDRO COc1cc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000495421794 1120806509 /nfs/dbraw/zinc/80/65/09/1120806509.db2.gz VNIYBOZCDOENQT-LLVKDONJSA-N 1 0 352.793 4.289 20 5 FIBDRO CCC[C@@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000090658202 1121102347 /nfs/dbraw/zinc/10/23/47/1121102347.db2.gz KKGDZBCECRCWGO-GOSISDBHSA-N 1 0 366.421 4.318 20 5 FIBDRO CCC[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000090941750 1121160647 /nfs/dbraw/zinc/16/06/47/1121160647.db2.gz QRVHMTZIQVDWQR-INIZCTEOSA-N 1 0 365.380 4.265 20 5 FIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CCCC3)CC2)c2ccncc21 ZINC000301108627 1121305709 /nfs/dbraw/zinc/30/57/09/1121305709.db2.gz QOKNKZILUMOAIS-UHFFFAOYSA-N 1 0 354.454 4.210 20 5 FIBDRO COc1ccc(OCC[NH2+][C@@H](CC(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001168594471 1121747706 /nfs/dbraw/zinc/74/77/06/1121747706.db2.gz RWRBGQKSXFFVNL-SFHVURJKSA-N 1 0 358.438 4.359 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)ccc1Cl ZINC000154166912 1121841687 /nfs/dbraw/zinc/84/16/87/1121841687.db2.gz ICUQQEZKQYFWMB-CJNGLKHVSA-N 1 0 366.870 4.398 20 5 FIBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000917095331 1122124317 /nfs/dbraw/zinc/12/43/17/1122124317.db2.gz IBRSEJIXXWJRPU-UHFFFAOYSA-N 1 0 363.417 4.244 20 5 FIBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000067264835 1122146388 /nfs/dbraw/zinc/14/63/88/1122146388.db2.gz LBKLOVCRUIPXKX-UHFFFAOYSA-N 1 0 361.489 4.238 20 5 FIBDRO COc1cc(F)c([N+](=O)[O-])c(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000301476729 1122156557 /nfs/dbraw/zinc/15/65/57/1122156557.db2.gz ORLCLCFLPZJENB-CQSZACIVSA-N 1 0 373.428 4.380 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000301551228 1122219844 /nfs/dbraw/zinc/21/98/44/1122219844.db2.gz QRKNULZEKKYDQI-APWZRJJASA-N 1 0 369.465 4.206 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000154469499 1122389305 /nfs/dbraw/zinc/38/93/05/1122389305.db2.gz OBMZLLXMRUEFNH-OAHLLOKOSA-N 1 0 364.449 4.368 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2cnc3n2CCCC3)s1 ZINC000556408009 1122874254 /nfs/dbraw/zinc/87/42/54/1122874254.db2.gz TUDUGSZCDJHJET-UHFFFAOYSA-N 1 0 368.462 4.146 20 5 FIBDRO CC(C)[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cn1 ZINC000498625947 1122914840 /nfs/dbraw/zinc/91/48/40/1122914840.db2.gz IBMHFJSLJPJLAD-KRWDZBQOSA-N 1 0 351.809 4.312 20 5 FIBDRO COc1ccc([C@H](CNc2cccc(F)c2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000919962494 1123287433 /nfs/dbraw/zinc/28/74/33/1123287433.db2.gz FGDCACFFJQCCFB-IBGZPJMESA-N 1 0 373.428 4.382 20 5 FIBDRO CC(C)(CCc1ccccc1)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000170811050 1123429567 /nfs/dbraw/zinc/42/95/67/1123429567.db2.gz BJAWUUUVPAPPTH-UHFFFAOYSA-N 1 0 366.421 4.146 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000609540707 1123748317 /nfs/dbraw/zinc/74/83/17/1123748317.db2.gz NEJAHQBVHBUWQC-UHFFFAOYSA-N 1 0 370.449 4.032 20 5 FIBDRO CC(C)C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000609549846 1123754858 /nfs/dbraw/zinc/75/48/58/1123754858.db2.gz BKRJYMZXTSKJOV-SJLPKXTDSA-N 1 0 369.465 4.090 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](c2cccnc2)C2CCCCC2)cc1 ZINC000609586645 1123760130 /nfs/dbraw/zinc/76/01/30/1123760130.db2.gz PTUYHGCGXRUHCX-FQEVSTJZSA-N 1 0 355.438 4.280 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@@H](C)C(C)(C)O)cc2[N+](=O)[O-])cc1 ZINC000609707529 1123804585 /nfs/dbraw/zinc/80/45/85/1123804585.db2.gz ZWBMZKBWBJUZDR-AWEZNQCLSA-N 1 0 360.479 4.303 20 5 FIBDRO CC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000609766766 1123824838 /nfs/dbraw/zinc/82/48/38/1123824838.db2.gz PABJCWCFZKRJNZ-GFCCVEGCSA-N 1 0 358.385 4.217 20 5 FIBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(F)c1 ZINC000609826075 1123850942 /nfs/dbraw/zinc/85/09/42/1123850942.db2.gz OCSHLPHTBVRDJR-UHFFFAOYSA-N 1 0 368.355 4.403 20 5 FIBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175458812 1123877080 /nfs/dbraw/zinc/87/70/80/1123877080.db2.gz IZUJXUIHGDVUFM-UHFFFAOYSA-N 1 0 373.840 4.486 20 5 FIBDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000610001988 1123913054 /nfs/dbraw/zinc/91/30/54/1123913054.db2.gz ROEIIVKIJFVSAX-HZPDHXFCSA-N 1 0 368.433 4.148 20 5 FIBDRO CC(C)C[C@H]1CCCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000610133872 1123949365 /nfs/dbraw/zinc/94/93/65/1123949365.db2.gz BYJRVWJRZHDZSL-MRXNPFEDSA-N 1 0 358.442 4.436 20 5 FIBDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000179503819 1123992902 /nfs/dbraw/zinc/99/29/02/1123992902.db2.gz HNVZSXZQNLMWTL-SJORKVTESA-N 1 0 352.793 4.162 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273476867 1124148185 /nfs/dbraw/zinc/14/81/85/1124148185.db2.gz KIFYGWKZNQGYCV-BEBWJMSYSA-N 1 0 356.397 4.257 20 5 FIBDRO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2)[NH+]2CCCCC2)cc1 ZINC000057366498 1124315248 /nfs/dbraw/zinc/31/52/48/1124315248.db2.gz JDNRPZWCVFMEIC-FQEVSTJZSA-N 1 0 355.438 4.243 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)c2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000765879017 1124323466 /nfs/dbraw/zinc/32/34/66/1124323466.db2.gz HUCPIRBRKPCHSM-VFNWGFHPSA-N 1 0 350.418 4.441 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000462823043 1124558617 /nfs/dbraw/zinc/55/86/17/1124558617.db2.gz YBEIXKTXWYQAQG-CVEARBPZSA-N 1 0 357.429 4.219 20 5 FIBDRO C[NH+](C)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000091669106 1124721092 /nfs/dbraw/zinc/72/10/92/1124721092.db2.gz MZCJUPSYNLNJHX-UHFFFAOYSA-N 1 0 363.845 4.034 20 5 FIBDRO CC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001168675925 1124749617 /nfs/dbraw/zinc/74/96/17/1124749617.db2.gz HGAGQUAFXNBVLW-MRXNPFEDSA-N 1 0 364.829 4.377 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC001168676188 1124749904 /nfs/dbraw/zinc/74/99/04/1124749904.db2.gz JEAGJDUZPLTLRR-YVEFUNNKSA-N 1 0 361.829 4.316 20 5 FIBDRO CC[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(Cl)c1 ZINC001168676890 1124758756 /nfs/dbraw/zinc/75/87/56/1124758756.db2.gz MDVOUPQSDMXJTL-MSOLQXFVSA-N 1 0 373.840 4.094 20 5 FIBDRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181812189 1125141930 /nfs/dbraw/zinc/14/19/30/1125141930.db2.gz JLFFLIBDLYWKLF-OAHLLOKOSA-N 1 0 369.465 4.317 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2C)cc1[N+](=O)[O-] ZINC000181819316 1125143742 /nfs/dbraw/zinc/14/37/42/1125143742.db2.gz FGIRCPXHPQYJOC-CYBMUJFWSA-N 1 0 361.829 4.154 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)OC(C)C)cc2)cc1[N+](=O)[O-] ZINC000181834350 1125154050 /nfs/dbraw/zinc/15/40/50/1125154050.db2.gz VMGUIXWRGWRZBB-OAHLLOKOSA-N 1 0 356.422 4.319 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000618614670 1125223102 /nfs/dbraw/zinc/22/31/02/1125223102.db2.gz QYIRJPKLJVPOMY-UHFFFAOYSA-N 1 0 367.449 4.118 20 5 FIBDRO C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311850865 1125232776 /nfs/dbraw/zinc/23/27/76/1125232776.db2.gz SJRSXTIWISVEFY-AOIWGVFYSA-N 1 0 353.466 4.156 20 5 FIBDRO C[N@@H+]1CCC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000301793446 1125299168 /nfs/dbraw/zinc/29/91/68/1125299168.db2.gz PCVPSFMGSSLPIX-DIFFPNOSSA-N 1 0 367.421 4.430 20 5 FIBDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618987561 1125412296 /nfs/dbraw/zinc/41/22/96/1125412296.db2.gz GCBMWPAPFGSPBY-ZWKOTPCHSA-N 1 0 368.433 4.439 20 5 FIBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000481387438 567876493 /nfs/dbraw/zinc/87/64/93/567876493.db2.gz BSRJNFDSDMZGLX-GTNSWQLSSA-N 1 0 352.793 4.253 20 5 FIBDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000481541906 568044354 /nfs/dbraw/zinc/04/43/54/568044354.db2.gz ITTDLNCZUHKIOR-FOIQADDNSA-N 1 0 357.429 4.301 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000569019684 568272601 /nfs/dbraw/zinc/27/26/01/568272601.db2.gz NJQMDOCFZIJVPS-DFQSSKMNSA-N 1 0 356.397 4.231 20 5 FIBDRO CSc1ccc([C@@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000570348345 568479728 /nfs/dbraw/zinc/47/97/28/568479728.db2.gz OQILIFWOYSBIAO-CPSHHHPTSA-N 1 0 371.506 4.222 20 5 FIBDRO CCCN(C(=O)c1ccc(C[NH+](CC)CC)o1)c1cccc([N+](=O)[O-])c1 ZINC000619663086 1125643928 /nfs/dbraw/zinc/64/39/28/1125643928.db2.gz DJPMCBNOIZMGLQ-UHFFFAOYSA-N 1 0 359.426 4.086 20 5 FIBDRO O=C(C[NH2+][C@H]1CCC[C@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000133695675 1079861351 /nfs/dbraw/zinc/86/13/51/1079861351.db2.gz POWXQIKUAUWNHE-RDJZCZTQSA-N 1 0 373.840 4.113 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000430199001 1079908068 /nfs/dbraw/zinc/90/80/68/1079908068.db2.gz ASIGNCNHKHOAHD-LLVKDONJSA-N 1 0 354.328 4.473 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ncccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000537950261 1080475346 /nfs/dbraw/zinc/47/53/46/1080475346.db2.gz OTVLWPMEGLBJRU-GFCCVEGCSA-N 1 0 369.343 4.047 20 5 FIBDRO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCc2ccccc21 ZINC001167205857 1080843300 /nfs/dbraw/zinc/84/33/00/1080843300.db2.gz KBWVNBDNZVBIHB-IBGZPJMESA-N 1 0 350.422 4.371 20 5 FIBDRO Cc1ccc(C[C@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001167265197 1080932388 /nfs/dbraw/zinc/93/23/88/1080932388.db2.gz YZORMZRACIXLAE-LJQANCHMSA-N 1 0 354.450 4.237 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC[C@H](O)C2)ccc1Oc1ccc(F)cc1 ZINC000610271087 1080995739 /nfs/dbraw/zinc/99/57/39/1080995739.db2.gz XVXYFSFFTIIJBU-YOEHRIQHSA-N 1 0 374.412 4.167 20 5 FIBDRO COCc1cccc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC001648811636 1081127367 /nfs/dbraw/zinc/12/73/67/1081127367.db2.gz SLGYKOBYBRUYNH-UHFFFAOYSA-N 1 0 352.390 4.291 20 5 FIBDRO CCN(CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)c1ccccc1C ZINC001648819237 1081244749 /nfs/dbraw/zinc/24/47/49/1081244749.db2.gz SUSQLQIGYJBRRW-SAPNQHFASA-N 1 0 353.466 4.423 20 5 FIBDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)c2ccccc21 ZINC000580035398 1081499258 /nfs/dbraw/zinc/49/92/58/1081499258.db2.gz GZYIHKRVUHFLMK-RTBURBONSA-N 1 0 368.433 4.175 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000064938890 1081950719 /nfs/dbraw/zinc/95/07/19/1081950719.db2.gz VLKDZNANGAPASL-IBGZPJMESA-N 1 0 355.438 4.219 20 5 FIBDRO CC(C)(C)[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC001167406870 1081963157 /nfs/dbraw/zinc/96/31/57/1081963157.db2.gz YAULVNIMCRBFGT-AWEZNQCLSA-N 1 0 358.442 4.293 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000177779370 1081995505 /nfs/dbraw/zinc/99/55/05/1081995505.db2.gz RJCONUNTVZZUTC-SJCJKPOMSA-N 1 0 368.355 4.306 20 5 FIBDRO Cc1ccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000275923942 1082039996 /nfs/dbraw/zinc/03/99/96/1082039996.db2.gz YRTWABPYIVIPHX-UHFFFAOYSA-N 1 0 361.829 4.179 20 5 FIBDRO COc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000319833749 1082040137 /nfs/dbraw/zinc/04/01/37/1082040137.db2.gz NSAFEOCVQYMLQW-UHFFFAOYSA-N 1 0 355.221 4.243 20 5 FIBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1Br ZINC000177856765 1082215668 /nfs/dbraw/zinc/21/56/68/1082215668.db2.gz HDZMQCWXQDXPAC-LLVKDONJSA-N 1 0 365.227 4.217 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000581143519 1082341910 /nfs/dbraw/zinc/34/19/10/1082341910.db2.gz WJSDJRYBMTWUDI-SFHVURJKSA-N 1 0 367.380 4.209 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000177938497 1082352503 /nfs/dbraw/zinc/35/25/03/1082352503.db2.gz PONYFEHYAQYRQN-QKKBWIMNSA-N 1 0 368.433 4.476 20 5 FIBDRO CCC[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000177964261 1082438450 /nfs/dbraw/zinc/43/84/50/1082438450.db2.gz QZBBMALYLYHAQG-FQEVSTJZSA-N 1 0 369.465 4.062 20 5 FIBDRO CCC[C@H]([NH2+]CCc1ccc(NC(C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000165649000 1082528664 /nfs/dbraw/zinc/52/86/64/1082528664.db2.gz RFETZTNGDAXWBS-FQEVSTJZSA-N 1 0 355.438 4.227 20 5 FIBDRO C[C@H](Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000610341835 1082530006 /nfs/dbraw/zinc/53/00/06/1082530006.db2.gz ZVFIUQSXEUMDRN-INIZCTEOSA-N 1 0 371.506 4.359 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](C)c3ccncc3)o2)c([N+](=O)[O-])c1 ZINC000610517802 1082728984 /nfs/dbraw/zinc/72/89/84/1082728984.db2.gz UKAYFUQICBXSBE-CQSZACIVSA-N 1 0 367.405 4.152 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCCSC3)o2)c(Cl)c1 ZINC000561527797 1082768425 /nfs/dbraw/zinc/76/84/25/1082768425.db2.gz RSGVWFSWRKKCIY-LLVKDONJSA-N 1 0 352.843 4.493 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCC(O)(CC)CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000471785991 1082987688 /nfs/dbraw/zinc/98/76/88/1082987688.db2.gz GITNUPDFLRDYKJ-LJQANCHMSA-N 1 0 360.454 4.370 20 5 FIBDRO CCOCc1ccccc1CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000891744139 1083094791 /nfs/dbraw/zinc/09/47/91/1083094791.db2.gz ZDLRYRYYDHMBIU-UHFFFAOYSA-N 1 0 351.406 4.022 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CC(c3ccccc3)c3ccccc3)nc2c1 ZINC000510525757 1083139628 /nfs/dbraw/zinc/13/96/28/1083139628.db2.gz WPSIPKUZHNGNDU-UHFFFAOYSA-N 1 0 372.428 4.393 20 5 FIBDRO C[C@H]1SCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccccc1 ZINC000610582167 1083213578 /nfs/dbraw/zinc/21/35/78/1083213578.db2.gz FFXYYNWRUATENS-YJYMSZOUSA-N 1 0 369.446 4.415 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430941355 1083244696 /nfs/dbraw/zinc/24/46/96/1083244696.db2.gz WAXOMFYPGICAMG-HKUYNNGSSA-N 1 0 354.450 4.380 20 5 FIBDRO Cc1cc(NCc2ccc(Br)o2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302519634 1083281082 /nfs/dbraw/zinc/28/10/82/1083281082.db2.gz WXZHQECEJUOUQJ-UHFFFAOYSA-N 1 0 362.183 4.419 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000477852622 1083309797 /nfs/dbraw/zinc/30/97/97/1083309797.db2.gz TXTYYYKYAYWFND-FVJLSDCUSA-N 1 0 356.466 4.184 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)cc1[N+](=O)[O-] ZINC000477852620 1083310488 /nfs/dbraw/zinc/31/04/88/1083310488.db2.gz TXTYYYKYAYWFND-FIKGOQFSSA-N 1 0 356.466 4.184 20 5 FIBDRO CC1(c2ccccc2)CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000510804198 1083320771 /nfs/dbraw/zinc/32/07/71/1083320771.db2.gz SSZYUAWFUDRVAM-UHFFFAOYSA-N 1 0 368.433 4.015 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCC([C@@H]4CCCO4)CC3)cs2)c1 ZINC000188252957 1083388906 /nfs/dbraw/zinc/38/89/06/1083388906.db2.gz SKUHBAZQWGVKSY-SFHVURJKSA-N 1 0 373.478 4.109 20 5 FIBDRO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000610741167 1083401496 /nfs/dbraw/zinc/40/14/96/1083401496.db2.gz SWPCKBMVUCZTTB-CHWSQXEVSA-N 1 0 364.829 4.413 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000179392968 1083441509 /nfs/dbraw/zinc/44/15/09/1083441509.db2.gz ZGIBHBLJIZTBIY-GFCCVEGCSA-N 1 0 366.364 4.446 20 5 FIBDRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1csc([N+](=O)[O-])c1 ZINC000520111128 1083450560 /nfs/dbraw/zinc/45/05/60/1083450560.db2.gz NTLGUZRAZGYOOQ-UHFFFAOYSA-N 1 0 359.451 4.285 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000435787474 1083510449 /nfs/dbraw/zinc/51/04/49/1083510449.db2.gz NQFXYEKHGQESIC-UHFFFAOYSA-N 1 0 362.433 4.090 20 5 FIBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000179725720 1083612157 /nfs/dbraw/zinc/61/21/57/1083612157.db2.gz NLFPNSLBHIKSJS-UHFFFAOYSA-N 1 0 355.438 4.142 20 5 FIBDRO CCOc1ccccc1[C@H](CC)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179751600 1083615598 /nfs/dbraw/zinc/61/55/98/1083615598.db2.gz QQPBRAIHLNDBCF-ZBFHGGJFSA-N 1 0 371.437 4.061 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1c(C)nn(CC)c1C ZINC000535777082 1083651345 /nfs/dbraw/zinc/65/13/45/1083651345.db2.gz MROBINIFBBIUNL-OAHLLOKOSA-N 1 0 362.499 4.089 20 5 FIBDRO COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167227596 1083678478 /nfs/dbraw/zinc/67/84/78/1083678478.db2.gz ZEJAPJOHUFIYQR-INIZCTEOSA-N 1 0 358.438 4.169 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)o2)c1 ZINC000535808672 1083693849 /nfs/dbraw/zinc/69/38/49/1083693849.db2.gz QYXFMRVFTSDHBS-IRXDYDNUSA-N 1 0 356.422 4.103 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)o2)cc1 ZINC000535809813 1083697242 /nfs/dbraw/zinc/69/72/42/1083697242.db2.gz JUXGRVNFKIFBJB-SJORKVTESA-N 1 0 356.422 4.103 20 5 FIBDRO Cc1noc(C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c2ccccc2)n1 ZINC000277000616 1083705399 /nfs/dbraw/zinc/70/53/99/1083705399.db2.gz AGXOWVNYRJBGIC-KSSFIOAISA-N 1 0 366.421 4.229 20 5 FIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)c2ncccc12 ZINC000024057176 1083716205 /nfs/dbraw/zinc/71/62/05/1083716205.db2.gz GUQRIFIBYLFFMP-UHFFFAOYSA-N 1 0 362.433 4.220 20 5 FIBDRO CCC[C@H]([NH2+]CCc1cn2cccc(C)c2n1)c1cccc([N+](=O)[O-])c1 ZINC000610830574 1083745141 /nfs/dbraw/zinc/74/51/41/1083745141.db2.gz XQXUOMFVXJWXJG-IBGZPJMESA-N 1 0 352.438 4.224 20 5 FIBDRO CCC[C@@H]([NH2+]CCc1cn2cccc(C)c2n1)c1cccc([N+](=O)[O-])c1 ZINC000610830575 1083745599 /nfs/dbraw/zinc/74/55/99/1083745599.db2.gz XQXUOMFVXJWXJG-LJQANCHMSA-N 1 0 352.438 4.224 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnn2CCc2ccccc2)cc1[N+](=O)[O-] ZINC000610831457 1083746162 /nfs/dbraw/zinc/74/61/62/1083746162.db2.gz WPXOASYWIRWSCV-KRWDZBQOSA-N 1 0 364.449 4.193 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000610821899 1083749351 /nfs/dbraw/zinc/74/93/51/1083749351.db2.gz OIHIBYWYQXAXRP-UZLBHIALSA-N 1 0 350.422 4.192 20 5 FIBDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000236607469 1083811944 /nfs/dbraw/zinc/81/19/44/1083811944.db2.gz DVWSCJQJVJGXID-IBGZPJMESA-N 1 0 362.401 4.023 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1[N+](=O)[O-] ZINC000610915980 1083849382 /nfs/dbraw/zinc/84/93/82/1083849382.db2.gz CVVHYXGSFTTYJY-INIZCTEOSA-N 1 0 364.511 4.253 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000538165390 1083962245 /nfs/dbraw/zinc/96/22/45/1083962245.db2.gz IIAGBGGDDXUJNO-HNNXBMFYSA-N 1 0 358.438 4.286 20 5 FIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000177451369 1083970278 /nfs/dbraw/zinc/97/02/78/1083970278.db2.gz PDBHFLMGZDKSQM-SJLPKXTDSA-N 1 0 362.401 4.195 20 5 FIBDRO C[N@H+](CCCNc1ccc([N+](=O)[O-])c2ncccc12)Cc1ccccc1 ZINC000380726148 1084163680 /nfs/dbraw/zinc/16/36/80/1084163680.db2.gz FIYMGELFYRALRF-UHFFFAOYSA-N 1 0 350.422 4.077 20 5 FIBDRO COc1ccccc1[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])OC(C)C ZINC000472052074 1084190276 /nfs/dbraw/zinc/19/02/76/1084190276.db2.gz BYCZNTUWDAUOFQ-ZQAUEJBPSA-N 1 0 370.449 4.373 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccnc(N2CCCCCC2)c1 ZINC000579971300 1084310254 /nfs/dbraw/zinc/31/02/54/1084310254.db2.gz ADGGTIRUTGZHAV-IBGZPJMESA-N 1 0 366.465 4.147 20 5 FIBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc([S@](C)=O)cc1 ZINC000539084809 1084313662 /nfs/dbraw/zinc/31/36/62/1084313662.db2.gz VOCBUNLLBRTYRV-MQNRADLISA-N 1 0 360.479 4.006 20 5 FIBDRO CCOc1cc(C[N@H+](Cc2ccccc2)[C@H](CO)C(C)C)ccc1[N+](=O)[O-] ZINC001167529946 1084464640 /nfs/dbraw/zinc/46/46/40/1084464640.db2.gz WXAVADAKFLVSTB-HXUWFJFHSA-N 1 0 372.465 4.013 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCOc3c(OC)cccc32)cc1[N+](=O)[O-] ZINC000611335843 1084548110 /nfs/dbraw/zinc/54/81/10/1084548110.db2.gz XNAOPCJBLQMIBE-CJNGLKHVSA-N 1 0 372.421 4.177 20 5 FIBDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000539424355 1084560804 /nfs/dbraw/zinc/56/08/04/1084560804.db2.gz KWJLPNLOLNWARB-GOSISDBHSA-N 1 0 369.465 4.188 20 5 FIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc(-c2ccccc2)s1 ZINC000511074201 1084640541 /nfs/dbraw/zinc/64/05/41/1084640541.db2.gz OBDZUXBSCBALLW-UHFFFAOYSA-N 1 0 353.447 4.393 20 5 FIBDRO CCC[C@@H]([NH2+][C@H](CN(C)C)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000551556828 1084677926 /nfs/dbraw/zinc/67/79/26/1084677926.db2.gz YATVLCNYOLFIRE-NHCUHLMSSA-N 1 0 371.481 4.337 20 5 FIBDRO CCC[C@H]([NH2+][C@H](CN(C)C)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000551556827 1084678627 /nfs/dbraw/zinc/67/86/27/1084678627.db2.gz YATVLCNYOLFIRE-LEWJYISDSA-N 1 0 371.481 4.337 20 5 FIBDRO Cc1cc([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1F ZINC000451164048 1084693462 /nfs/dbraw/zinc/69/34/62/1084693462.db2.gz RDRNKTBFKCFITE-CQSZACIVSA-N 1 0 359.401 4.030 20 5 FIBDRO CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582557075 1084757404 /nfs/dbraw/zinc/75/74/04/1084757404.db2.gz UNETVPLHSQGJQO-LJQANCHMSA-N 1 0 370.449 4.096 20 5 FIBDRO CCc1ccc([C@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414255461 1084919041 /nfs/dbraw/zinc/91/90/41/1084919041.db2.gz JPPLDZIMMUXBJF-SUVVTNLASA-N 1 0 358.438 4.243 20 5 FIBDRO Cc1cc(C)n(-c2ccc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cc2)n1 ZINC000511127437 1085013399 /nfs/dbraw/zinc/01/33/99/1085013399.db2.gz VMSOAQMJDLNEOI-UHFFFAOYSA-N 1 0 364.449 4.072 20 5 FIBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127713924 1085051288 /nfs/dbraw/zinc/05/12/88/1085051288.db2.gz AFCHJTUWTDMZKW-UHFFFAOYSA-N 1 0 364.490 4.043 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCc4ccccc4C3)o2)c1 ZINC000106886791 1085237605 /nfs/dbraw/zinc/23/76/05/1085237605.db2.gz ORHZDWHUQXCROY-UHFFFAOYSA-N 1 0 363.417 4.241 20 5 FIBDRO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000158683168 1085321640 /nfs/dbraw/zinc/32/16/40/1085321640.db2.gz OLYQDCXHSMBBKG-UHFFFAOYSA-N 1 0 350.422 4.017 20 5 FIBDRO CC(C)(O)CC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000479870489 1085324821 /nfs/dbraw/zinc/32/48/21/1085324821.db2.gz BANYIMDKDAAIQJ-UHFFFAOYSA-N 1 0 364.829 4.291 20 5 FIBDRO C[C@@]1(CCc2ccccc2)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001167599400 1085392376 /nfs/dbraw/zinc/39/23/76/1085392376.db2.gz UQOFAAGWBQMYAN-OAQYLSRUSA-N 1 0 354.450 4.318 20 5 FIBDRO Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549532415 1085407958 /nfs/dbraw/zinc/40/79/58/1085407958.db2.gz UNQZXGYOGJSONG-HNNXBMFYSA-N 1 0 368.359 4.291 20 5 FIBDRO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)Cc1ccsc1 ZINC000187797761 1085557091 /nfs/dbraw/zinc/55/70/91/1085557091.db2.gz NHHNGPQRHNMUMG-CYBMUJFWSA-N 1 0 372.450 4.159 20 5 FIBDRO C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178648425 1085569015 /nfs/dbraw/zinc/56/90/15/1085569015.db2.gz AAKYYANKUPOSSY-SNVBAGLBSA-N 1 0 353.191 4.347 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccccc1F ZINC000109102150 1085589238 /nfs/dbraw/zinc/58/92/38/1085589238.db2.gz AYCFWRSDLRWNMZ-CQSZACIVSA-N 1 0 359.401 4.064 20 5 FIBDRO COc1cc(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000078265202 1085679478 /nfs/dbraw/zinc/67/94/78/1085679478.db2.gz YJPHYIWIWOOPBX-OAHLLOKOSA-N 1 0 355.438 4.241 20 5 FIBDRO C[C@@H]([NH2+]C1CCN([C@H](C)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178656962 1085682637 /nfs/dbraw/zinc/68/26/37/1085682637.db2.gz JHGGDSXWLBDKIP-IAGOWNOFSA-N 1 0 353.466 4.471 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178660281 1085686153 /nfs/dbraw/zinc/68/61/53/1085686153.db2.gz YOQVOUMVZBELMR-AWEZNQCLSA-N 1 0 356.422 4.401 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(F)(c2ccccn2)CC1 ZINC000582778409 1085703130 /nfs/dbraw/zinc/70/31/30/1085703130.db2.gz VOPPALOCXDNKDT-UHFFFAOYSA-N 1 0 373.428 4.238 20 5 FIBDRO COc1cc(C[N@H+](C(C)C)C2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000111173677 1085712710 /nfs/dbraw/zinc/71/27/10/1085712710.db2.gz DOWYFEJZVLPNJL-UHFFFAOYSA-N 1 0 358.385 4.358 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000178685007 1085809887 /nfs/dbraw/zinc/80/98/87/1085809887.db2.gz UAIMFBLNVHOTFZ-CHWSQXEVSA-N 1 0 361.829 4.234 20 5 FIBDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000136827760 1086622934 /nfs/dbraw/zinc/62/29/34/1086622934.db2.gz RBZMNQPCIMVYNW-CHWSQXEVSA-N 1 0 364.829 4.101 20 5 FIBDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000136827796 1086623417 /nfs/dbraw/zinc/62/34/17/1086623417.db2.gz RBZMNQPCIMVYNW-STQMWFEESA-N 1 0 364.829 4.101 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]CCC3CC(O)C3)cc2[N+](=O)[O-])cc1 ZINC000432355471 1086653929 /nfs/dbraw/zinc/65/39/29/1086653929.db2.gz DCTHAHDODYNTGA-UHFFFAOYSA-N 1 0 372.490 4.305 20 5 FIBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)c1ccccc1 ZINC000585754744 1086688213 /nfs/dbraw/zinc/68/82/13/1086688213.db2.gz YYXAJSZDLXTGFO-UHFFFAOYSA-N 1 0 361.829 4.054 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)c2cc([N+](=O)[O-])ccc21 ZINC000585765409 1086691857 /nfs/dbraw/zinc/69/18/57/1086691857.db2.gz BEYDPYXMLKKQNL-LJQANCHMSA-N 1 0 350.422 4.026 20 5 FIBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C2)CC1 ZINC000302002707 1086878333 /nfs/dbraw/zinc/87/83/33/1086878333.db2.gz XPLGNHAQFUQOKS-KRWDZBQOSA-N 1 0 368.481 4.091 20 5 FIBDRO Cc1ccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000157533578 1086944983 /nfs/dbraw/zinc/94/49/83/1086944983.db2.gz OJKHNJHRTXBFDQ-KRWDZBQOSA-N 1 0 373.497 4.020 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@H](CC(F)(F)F)C3)co2)cc1 ZINC000278699800 1087242290 /nfs/dbraw/zinc/24/22/90/1087242290.db2.gz JMSCDYCNUJKKHT-NSHDSACASA-N 1 0 355.316 4.024 20 5 FIBDRO C[C@H]([NH2+]C1(CNc2cccc(F)c2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000080982856 1087291678 /nfs/dbraw/zinc/29/16/78/1087291678.db2.gz NCIOZYAZFYFXDJ-HNNXBMFYSA-N 1 0 373.428 4.046 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccnc(N2CCCC2)c1 ZINC000138492207 1087470819 /nfs/dbraw/zinc/47/08/19/1087470819.db2.gz WZBJUUDIZCFXDW-UHFFFAOYSA-N 1 0 366.343 4.221 20 5 FIBDRO CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000158883322 1087517244 /nfs/dbraw/zinc/51/72/44/1087517244.db2.gz CYYVNLGSXARNIO-HNNXBMFYSA-N 1 0 355.438 4.493 20 5 FIBDRO O=C(CC[N@@H+]1CCC[C@H]1c1ccccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000409856597 1087611235 /nfs/dbraw/zinc/61/12/35/1087611235.db2.gz QWRKCUJLSRXVIZ-KRWDZBQOSA-N 1 0 373.840 4.414 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1COC ZINC000504895165 1087968798 /nfs/dbraw/zinc/96/87/98/1087968798.db2.gz QXPYISNVZKTVSB-QGZVFWFLSA-N 1 0 360.479 4.402 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000504899526 1087970347 /nfs/dbraw/zinc/97/03/47/1087970347.db2.gz IEWMDHKDNRORGS-QOKNQOGYSA-N 1 0 364.486 4.485 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000504905442 1087976410 /nfs/dbraw/zinc/97/64/10/1087976410.db2.gz IOTPRHRENDJINJ-GFCCVEGCSA-N 1 0 350.365 4.165 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)Nc1ccccc1 ZINC000504926307 1087993685 /nfs/dbraw/zinc/99/36/85/1087993685.db2.gz HUXCJYRHZZPDQG-HNNXBMFYSA-N 1 0 373.478 4.084 20 5 FIBDRO COC(=O)CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000180666892 1088010651 /nfs/dbraw/zinc/01/06/51/1088010651.db2.gz WRTGRGPWEHEAHS-QAPCUYQASA-N 1 0 356.422 4.248 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H](CO)c2ccccc2)c2ccccc2)c1 ZINC000180719821 1088044151 /nfs/dbraw/zinc/04/41/51/1088044151.db2.gz JRWGDADDOVTGLE-RBBKRZOGSA-N 1 0 362.429 4.050 20 5 FIBDRO C[C@H]([NH2+]CCOCC(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000188745223 1088083159 /nfs/dbraw/zinc/08/31/59/1088083159.db2.gz AXULGMFWATVBMO-NSHDSACASA-N 1 0 356.394 4.256 20 5 FIBDRO CC(C)c1nnc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000513827122 1088425968 /nfs/dbraw/zinc/42/59/68/1088425968.db2.gz JJHFTUNCWDCLDW-UKRRQHHQSA-N 1 0 360.483 4.071 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H](CCO)c1ccccc1 ZINC000513828137 1088427507 /nfs/dbraw/zinc/42/75/07/1088427507.db2.gz DGOQWOPKCNAETA-DFQSSKMNSA-N 1 0 354.450 4.019 20 5 FIBDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236607769 1088679475 /nfs/dbraw/zinc/67/94/75/1088679475.db2.gz TZKZBZUQYOUWMT-KRWDZBQOSA-N 1 0 352.818 4.005 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCCO[C@@H](CF)C3)o2)c(Cl)c1 ZINC000414475615 1088690236 /nfs/dbraw/zinc/69/02/36/1088690236.db2.gz HJTVOHKWECDARF-AWEZNQCLSA-N 1 0 368.792 4.069 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H]3CCO)o2)c(Cl)c1 ZINC000189951355 1088703214 /nfs/dbraw/zinc/70/32/14/1088703214.db2.gz JSFRGJJNYNSAHI-PXAZEXFGSA-N 1 0 364.829 4.149 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3CCO)o2)c(Cl)c1 ZINC000189951372 1088704193 /nfs/dbraw/zinc/70/41/93/1088704193.db2.gz JSFRGJJNYNSAHI-YVEFUNNKSA-N 1 0 364.829 4.149 20 5 FIBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H](C)O1 ZINC000414512538 1088804570 /nfs/dbraw/zinc/80/45/70/1088804570.db2.gz IUBCZPKNIHHLIJ-UPJWGTAASA-N 1 0 364.829 4.411 20 5 FIBDRO Cc1nccn1CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000509978857 1088968269 /nfs/dbraw/zinc/96/82/69/1088968269.db2.gz XARAFPAITKGYQS-UHFFFAOYSA-N 1 0 374.828 4.193 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000434891566 1089098517 /nfs/dbraw/zinc/09/85/17/1089098517.db2.gz IYAINUNAZZKEDM-SOLBZPMBSA-N 1 0 367.449 4.108 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]CCCCCO)cc2[N+](=O)[O-])cc1 ZINC000514652368 1089306818 /nfs/dbraw/zinc/30/68/18/1089306818.db2.gz XFUXVBWTLMBTRI-UHFFFAOYSA-N 1 0 360.479 4.307 20 5 FIBDRO Cc1noc(C[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c2ccccc2)n1 ZINC000517476588 1089597876 /nfs/dbraw/zinc/59/78/76/1089597876.db2.gz JXAGLGYNUFWCKN-IFXJQAMLSA-N 1 0 366.421 4.229 20 5 FIBDRO COc1cccc([C@H](C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)N(C)C)c1 ZINC000517524853 1089731983 /nfs/dbraw/zinc/73/19/83/1089731983.db2.gz ISGOLDAUALDXNW-NRFANRHFSA-N 1 0 371.481 4.119 20 5 FIBDRO Cc1cc(C)n(CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000517542244 1089762198 /nfs/dbraw/zinc/76/21/98/1089762198.db2.gz VZHHVFOGLZITLW-UHFFFAOYSA-N 1 0 370.478 4.317 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000101594912 1089808541 /nfs/dbraw/zinc/80/85/41/1089808541.db2.gz XXROPVQLRUJYDL-GFCCVEGCSA-N 1 0 354.328 4.387 20 5 FIBDRO COc1ccc(O[C@@H](C)C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000468634723 1089944826 /nfs/dbraw/zinc/94/48/26/1089944826.db2.gz HJSRVPCCHKTMCM-SFKKXYGYSA-N 1 0 356.422 4.064 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cnn(C)c1 ZINC000163824503 1089962680 /nfs/dbraw/zinc/96/26/80/1089962680.db2.gz VEOKCGWFJSLVJB-OLZOCXBDSA-N 1 0 356.451 4.469 20 5 FIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000103466617 1090101687 /nfs/dbraw/zinc/10/16/87/1090101687.db2.gz COMLFENJIODWQH-CYBMUJFWSA-N 1 0 355.369 4.255 20 5 FIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000120210241 1090265495 /nfs/dbraw/zinc/26/54/95/1090265495.db2.gz BYNSKTZWLYSWSA-UHFFFAOYSA-N 1 0 374.485 4.130 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)CCCC2 ZINC000417318313 1090798863 /nfs/dbraw/zinc/79/88/63/1090798863.db2.gz YLFMNVVNRDFEKL-RXVVDRJESA-N 1 0 354.450 4.118 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1-n1cccn1)CCCC2 ZINC000417310365 1090803326 /nfs/dbraw/zinc/80/33/26/1090803326.db2.gz LISWHNXVLFEFHZ-HXUWFJFHSA-N 1 0 362.433 4.338 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN(c3ccccn3)CC1)CCCC2 ZINC000417329542 1090810355 /nfs/dbraw/zinc/81/03/55/1090810355.db2.gz UQTULNJPUMCGCO-HXUWFJFHSA-N 1 0 366.465 4.016 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cn3cc(Cl)ccc3n1)CCCC2 ZINC000417322011 1090815406 /nfs/dbraw/zinc/81/54/06/1090815406.db2.gz MGHQZDZOKQZAIX-GOSISDBHSA-N 1 0 370.840 4.453 20 5 FIBDRO CC[C@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000105503195 1091029796 /nfs/dbraw/zinc/02/97/96/1091029796.db2.gz WWPRGCCTRABJDG-INIZCTEOSA-N 1 0 371.466 4.001 20 5 FIBDRO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500130060 1091056405 /nfs/dbraw/zinc/05/64/05/1091056405.db2.gz CMLYENKFXLYARU-IFXJQAMLSA-N 1 0 371.412 4.146 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000759851966 1091327242 /nfs/dbraw/zinc/32/72/42/1091327242.db2.gz XDNMZDNDMJUDQD-SFHVURJKSA-N 1 0 364.804 4.085 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000566706659 1091374943 /nfs/dbraw/zinc/37/49/43/1091374943.db2.gz FBWUISQMJWNPQI-JRGCBEDISA-N 1 0 365.477 4.110 20 5 FIBDRO CC[NH+](CC)Cc1ccc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1 ZINC000015140709 1091430333 /nfs/dbraw/zinc/43/03/33/1091430333.db2.gz INGDOAHEVHCIKX-UHFFFAOYSA-N 1 0 355.438 4.251 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCCC23CCOCC3)o1 ZINC000500425840 1091505298 /nfs/dbraw/zinc/50/52/98/1091505298.db2.gz FTCKMEDRDSYGQW-IBGZPJMESA-N 1 0 356.422 4.294 20 5 FIBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000511685485 1091539192 /nfs/dbraw/zinc/53/91/92/1091539192.db2.gz TYNJSWPZSOKSHA-MRXNPFEDSA-N 1 0 365.355 4.300 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2ccoc2)ccc1Oc1ccc(F)cc1 ZINC001203144235 1091900258 /nfs/dbraw/zinc/90/02/58/1091900258.db2.gz KEVLELLVQPJSJB-UHFFFAOYSA-N 1 0 356.353 4.452 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]([C@@H](C)c2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC000512257196 1091972171 /nfs/dbraw/zinc/97/21/71/1091972171.db2.gz BKKFMMHQUHUHCO-INIZCTEOSA-N 1 0 367.449 4.457 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)o1 ZINC000500501108 1092150068 /nfs/dbraw/zinc/15/00/68/1092150068.db2.gz UFSYLYBMHXPNIC-CZUORRHYSA-N 1 0 352.337 4.105 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(-c3ccccc3F)o2)cc1 ZINC000520992881 1092404607 /nfs/dbraw/zinc/40/46/07/1092404607.db2.gz UXKSGVADAWUDQK-UHFFFAOYSA-N 1 0 356.353 4.163 20 5 FIBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cccc(C(F)(F)F)c1 ZINC000521040848 1092451788 /nfs/dbraw/zinc/45/17/88/1092451788.db2.gz HMFMPIFGPCATPQ-UHFFFAOYSA-N 1 0 354.328 4.124 20 5 FIBDRO Cc1cc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000500775443 1092557578 /nfs/dbraw/zinc/55/75/78/1092557578.db2.gz OXOMLEFMROVCIG-HNNXBMFYSA-N 1 0 367.449 4.387 20 5 FIBDRO Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000894082484 1092890254 /nfs/dbraw/zinc/89/02/54/1092890254.db2.gz YWHMLVKHELECCX-UHFFFAOYSA-N 1 0 370.375 4.298 20 5 FIBDRO Cc1cccc(CN(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1C ZINC000428736869 1092925453 /nfs/dbraw/zinc/92/54/53/1092925453.db2.gz IOMHCLRQSQDDMQ-UHFFFAOYSA-N 1 0 351.406 4.499 20 5 FIBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000439127031 1092979933 /nfs/dbraw/zinc/97/99/33/1092979933.db2.gz HODSLVDRSXTNAZ-SJCJKPOMSA-N 1 0 365.380 4.300 20 5 FIBDRO CC[C@H](CCO)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000236948956 1093063468 /nfs/dbraw/zinc/06/34/68/1093063468.db2.gz VMNXCNOLCZNXFH-OAHLLOKOSA-N 1 0 364.829 4.291 20 5 FIBDRO Cc1c(C[N@@H+](Cc2ccccc2)CC2CCOCC2)cccc1[N+](=O)[O-] ZINC000522083488 1093078622 /nfs/dbraw/zinc/07/86/22/1093078622.db2.gz ZCDZXUSQVPXNFN-UHFFFAOYSA-N 1 0 354.450 4.332 20 5 FIBDRO Cc1cccc2c1OCC[C@H]2[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000474077978 1093190964 /nfs/dbraw/zinc/19/09/64/1093190964.db2.gz FSHAFXFTFOYICH-RTBURBONSA-N 1 0 352.434 4.338 20 5 FIBDRO CCOc1c(OC)cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000126960142 1093197587 /nfs/dbraw/zinc/19/75/87/1093197587.db2.gz YCMOVKMJSBSZSQ-CQSZACIVSA-N 1 0 374.437 4.170 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433072867 1093199497 /nfs/dbraw/zinc/19/94/97/1093199497.db2.gz DJMMHZDMVQVZOM-SFHVURJKSA-N 1 0 367.449 4.111 20 5 FIBDRO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000522223731 1093219381 /nfs/dbraw/zinc/21/93/81/1093219381.db2.gz CKMATGPEWQIBCR-OAQYLSRUSA-N 1 0 368.433 4.015 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]Cc2cnn(-c3ccccc3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433133944 1093315351 /nfs/dbraw/zinc/31/53/51/1093315351.db2.gz FMOSYJPVNDZLOG-HXUWFJFHSA-N 1 0 362.433 4.293 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]CCCCNc2ccccn2)c2cc([N+](=O)[O-])ccc21 ZINC000433167781 1093365114 /nfs/dbraw/zinc/36/51/14/1093365114.db2.gz JYRBBDFUNMULJO-GOSISDBHSA-N 1 0 354.454 4.194 20 5 FIBDRO C[C@@H](O)CCC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000433181624 1093381456 /nfs/dbraw/zinc/38/14/56/1093381456.db2.gz LPJFHLXAFNXUDJ-CYBMUJFWSA-N 1 0 364.829 4.291 20 5 FIBDRO COCCOc1cccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433181502 1093382843 /nfs/dbraw/zinc/38/28/43/1093382843.db2.gz YDQHOQUSXVSSKC-HXUWFJFHSA-N 1 0 370.449 4.132 20 5 FIBDRO COCC[C@@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000467272169 1093389652 /nfs/dbraw/zinc/38/96/52/1093389652.db2.gz YTLIWWJUVFVXAK-INIZCTEOSA-N 1 0 350.459 4.021 20 5 FIBDRO COCC[C@@H](Cc1ccco1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433226640 1093450746 /nfs/dbraw/zinc/45/07/46/1093450746.db2.gz HMUFSXWLEUUNAO-IFXJQAMLSA-N 1 0 358.438 4.148 20 5 FIBDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CCO2 ZINC000433235195 1093460247 /nfs/dbraw/zinc/46/02/47/1093460247.db2.gz MRXKFTYKFLOZCR-RBUKOAKNSA-N 1 0 368.433 4.439 20 5 FIBDRO C[N@H+](CCCCc1ccccc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000052037728 1093485834 /nfs/dbraw/zinc/48/58/34/1093485834.db2.gz RETMZTKGOWMILR-UHFFFAOYSA-N 1 0 366.421 4.100 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000433316476 1093570296 /nfs/dbraw/zinc/57/02/96/1093570296.db2.gz AMKRZDOQIQZRJY-UHFFFAOYSA-N 1 0 365.764 4.056 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC3(c4ccccn4)CCC3)o2)c1 ZINC000512978040 1093624276 /nfs/dbraw/zinc/62/42/76/1093624276.db2.gz WLTRELXBSDJCEK-UHFFFAOYSA-N 1 0 363.417 4.461 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(c4ccccn4)CCC3)o2)cc1 ZINC000512987800 1093627818 /nfs/dbraw/zinc/62/78/18/1093627818.db2.gz CRNJOFPDAGVOKG-UHFFFAOYSA-N 1 0 363.417 4.461 20 5 FIBDRO CCn1cc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cn1 ZINC000513033761 1093690945 /nfs/dbraw/zinc/69/09/45/1093690945.db2.gz ZJTXSQXVHINSJK-UHFFFAOYSA-N 1 0 370.384 4.032 20 5 FIBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000513055849 1093705395 /nfs/dbraw/zinc/70/53/95/1093705395.db2.gz FFMYUZWHGICKFO-RYGJVYDSSA-N 1 0 358.413 4.175 20 5 FIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(C2CC2)cc1 ZINC000419344261 1093709633 /nfs/dbraw/zinc/70/96/33/1093709633.db2.gz RPSOWBWOFPXJAP-AWEZNQCLSA-N 1 0 353.422 4.152 20 5 FIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C2CC2)cc1 ZINC000419344906 1093711941 /nfs/dbraw/zinc/71/19/41/1093711941.db2.gz SPLZEBZYOVJELB-GFCCVEGCSA-N 1 0 373.840 4.415 20 5 FIBDRO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000398169282 1093820546 /nfs/dbraw/zinc/82/05/46/1093820546.db2.gz HPQKOLVFWMPELM-FUHIMQAGSA-N 1 0 353.466 4.156 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(O[C@@H]2CCOC2)c1 ZINC000120586720 1093888596 /nfs/dbraw/zinc/88/85/96/1093888596.db2.gz ILRUVLUZGUHKLU-QFBILLFUSA-N 1 0 370.449 4.230 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](n4cccn4)C3)s2)cc1 ZINC000513150881 1093907983 /nfs/dbraw/zinc/90/79/83/1093907983.db2.gz SUQAZDZKQGSTOX-KRWDZBQOSA-N 1 0 368.462 4.357 20 5 FIBDRO O=C(OCc1c(F)cccc1[N+](=O)[O-])c1ccc(C[NH+]2CCCCC2)cc1 ZINC000728988175 1093912620 /nfs/dbraw/zinc/91/26/20/1093912620.db2.gz IGNKZSDAAMOHOX-UHFFFAOYSA-N 1 0 372.396 4.077 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513247154 1094034072 /nfs/dbraw/zinc/03/40/72/1094034072.db2.gz KLJNWGKVBREEKH-QRWLVFNGSA-N 1 0 367.449 4.315 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000182615166 1094147974 /nfs/dbraw/zinc/14/79/74/1094147974.db2.gz OCVJBUOBRDXGRA-INIZCTEOSA-N 1 0 367.449 4.315 20 5 FIBDRO COCc1ccccc1/C=C(\C)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000513552675 1094209774 /nfs/dbraw/zinc/20/97/74/1094209774.db2.gz CXUADBBUVCGBNI-GHRIWEEISA-N 1 0 354.450 4.319 20 5 FIBDRO COc1ccc([C@H](Cc2ccncc2)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000513679385 1094269590 /nfs/dbraw/zinc/26/95/90/1094269590.db2.gz WQLDKYBVXCDMHD-NRFANRHFSA-N 1 0 363.417 4.072 20 5 FIBDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501051683 1094457407 /nfs/dbraw/zinc/45/74/07/1094457407.db2.gz FBQWUXYRKRQWLK-NRFANRHFSA-N 1 0 367.449 4.021 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnn2-c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000474804556 1094641040 /nfs/dbraw/zinc/64/10/40/1094641040.db2.gz AHCDIZRKXXAIJT-AWEZNQCLSA-N 1 0 354.385 4.079 20 5 FIBDRO CC[C@H](C)[NH2+][C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)c1ccco1 ZINC000413285491 1094863557 /nfs/dbraw/zinc/86/35/57/1094863557.db2.gz XBJOCXNUMPVNFO-GXFFZTMASA-N 1 0 372.347 4.143 20 5 FIBDRO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501845376 1094959547 /nfs/dbraw/zinc/95/95/47/1094959547.db2.gz WXJZFNOCGLKQDG-AEFFLSMTSA-N 1 0 367.449 4.192 20 5 FIBDRO C[C@H]([NH2+]CCSCCCO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151177798 1094994499 /nfs/dbraw/zinc/99/44/99/1094994499.db2.gz YBAKWYHATAHGKT-ZDUSSCGKSA-N 1 0 366.508 4.090 20 5 FIBDRO Cc1cc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000248587430 1095004378 /nfs/dbraw/zinc/00/43/78/1095004378.db2.gz WSWKRKZSMXPPMO-IAGOWNOFSA-N 1 0 374.485 4.022 20 5 FIBDRO C[N@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000513740965 1095323889 /nfs/dbraw/zinc/32/38/89/1095323889.db2.gz BSJVDPNLTAAFOS-HNNXBMFYSA-N 1 0 362.813 4.261 20 5 FIBDRO C[N@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000513740966 1095324323 /nfs/dbraw/zinc/32/43/23/1095324323.db2.gz BSJVDPNLTAAFOS-OAHLLOKOSA-N 1 0 362.813 4.261 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000502342894 1095377172 /nfs/dbraw/zinc/37/71/72/1095377172.db2.gz DGKBNSLFCIGBPF-KRZKXXONSA-N 1 0 366.465 4.020 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cn2)cccc1[N+](=O)[O-] ZINC000281151320 1095496216 /nfs/dbraw/zinc/49/62/16/1095496216.db2.gz OLNCBXSFTHGAAY-NEPJUHHUSA-N 1 0 364.243 4.473 20 5 FIBDRO CC[C@@H]1C[C@]1([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502484229 1095514291 /nfs/dbraw/zinc/51/42/91/1095514291.db2.gz WVHVOKMFRGYRSO-IIBYNOLFSA-N 1 0 367.449 4.065 20 5 FIBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1(C)C ZINC000237275981 1095977484 /nfs/dbraw/zinc/97/74/84/1095977484.db2.gz SGBOPYQSEBIKEZ-MAUKXSAKSA-N 1 0 361.467 4.012 20 5 FIBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000422086537 1096077784 /nfs/dbraw/zinc/07/77/84/1096077784.db2.gz OWUHLMGEMLHSGV-UHFFFAOYSA-N 1 0 353.422 4.060 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503408846 1096388732 /nfs/dbraw/zinc/38/87/32/1096388732.db2.gz UVWUQNWMMSTZAB-DJJJIMSYSA-N 1 0 373.840 4.020 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503900146 1096579998 /nfs/dbraw/zinc/57/99/98/1096579998.db2.gz COIYNMOIFQESOO-MKVSYHDVSA-N 1 0 354.397 4.056 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000503929834 1096597517 /nfs/dbraw/zinc/59/75/17/1096597517.db2.gz QOLDXRUTDZLZRU-AWEZNQCLSA-N 1 0 353.422 4.368 20 5 FIBDRO Nc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423354735 1096654064 /nfs/dbraw/zinc/65/40/64/1096654064.db2.gz NZGRPWQXQCKQTN-WOJBJXKFSA-N 1 0 351.450 4.165 20 5 FIBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2cc(N)ccc2O1 ZINC000423445425 1096678280 /nfs/dbraw/zinc/67/82/80/1096678280.db2.gz SCRMIOQPTNIZMP-MOPGFXCFSA-N 1 0 367.449 4.446 20 5 FIBDRO Cc1nc2cc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)ccc2[nH]1 ZINC000435923685 1098563080 /nfs/dbraw/zinc/56/30/80/1098563080.db2.gz QQTJSJJSCBXKQI-UHFFFAOYSA-N 1 0 368.396 4.118 20 5 FIBDRO CC(C)([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000532955565 1098641539 /nfs/dbraw/zinc/64/15/39/1098641539.db2.gz NHZSMNYPVWDXLE-UHFFFAOYSA-N 1 0 351.406 4.317 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000532978557 1098649460 /nfs/dbraw/zinc/64/94/60/1098649460.db2.gz VQDBAYMHZONZSK-SJLPKXTDSA-N 1 0 367.449 4.110 20 5 FIBDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CCC1 ZINC000532974105 1098659980 /nfs/dbraw/zinc/65/99/80/1098659980.db2.gz QGIAYTICLRECPA-HNNXBMFYSA-N 1 0 367.449 4.057 20 5 FIBDRO CCc1nc(C)c([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000515702307 1098845888 /nfs/dbraw/zinc/84/58/88/1098845888.db2.gz FCSMVYLHXNUQMC-NSHDSACASA-N 1 0 358.467 4.297 20 5 FIBDRO COCCC1(C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000533187542 1098856655 /nfs/dbraw/zinc/85/66/55/1098856655.db2.gz LQWQRYKVYVDHQR-UHFFFAOYSA-N 1 0 369.465 4.269 20 5 FIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2c[nH]nc2-c2ccsc2)cc1 ZINC000436251272 1098864210 /nfs/dbraw/zinc/86/42/10/1098864210.db2.gz FBSVUFHMEXKYGH-UHFFFAOYSA-N 1 0 356.451 4.159 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)n1 ZINC000436302442 1098915701 /nfs/dbraw/zinc/91/57/01/1098915701.db2.gz UTQMJIZIFMRDMH-VDHUWJSZSA-N 1 0 374.872 4.464 20 5 FIBDRO CCC[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000436315464 1098922731 /nfs/dbraw/zinc/92/27/31/1098922731.db2.gz PNGKDWKIKLWTDC-WSTZPKSXSA-N 1 0 373.497 4.207 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436394253 1098984596 /nfs/dbraw/zinc/98/45/96/1098984596.db2.gz VUXRHNDMNOHPBS-KRWDZBQOSA-N 1 0 374.485 4.130 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425553328 1099025213 /nfs/dbraw/zinc/02/52/13/1099025213.db2.gz MFLSNNIITDPNBQ-KRWDZBQOSA-N 1 0 350.846 4.029 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000436466436 1099033881 /nfs/dbraw/zinc/03/38/81/1099033881.db2.gz QMYPZQQELFABCW-HXUWFJFHSA-N 1 0 355.438 4.171 20 5 FIBDRO CC(C)(C)c1ccc(NC(=O)NC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000455415503 1099207563 /nfs/dbraw/zinc/20/75/63/1099207563.db2.gz OFAGHLCXQSUOFV-UHFFFAOYSA-N 1 0 374.485 4.031 20 5 FIBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc4ccccc4c4cccnc34)C2)CC1 ZINC000533698535 1099335084 /nfs/dbraw/zinc/33/50/84/1099335084.db2.gz CJYAMNJALPVRPR-LJQANCHMSA-N 1 0 373.500 4.192 20 5 FIBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000533818370 1099981015 /nfs/dbraw/zinc/98/10/15/1099981015.db2.gz DGUQSOWQIWKZDP-OAHLLOKOSA-N 1 0 351.328 4.212 20 5 FIBDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000536669364 1100125162 /nfs/dbraw/zinc/12/51/62/1100125162.db2.gz ZKBPNTYOGLKIIA-OAHLLOKOSA-N 1 0 374.437 4.112 20 5 FIBDRO CO[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000536670006 1100150644 /nfs/dbraw/zinc/15/06/44/1100150644.db2.gz GZIRQSUKOBUVHP-INIZCTEOSA-N 1 0 362.813 4.261 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000536673981 1100163351 /nfs/dbraw/zinc/16/33/51/1100163351.db2.gz HZKJIMRAAYLGRU-OAHLLOKOSA-N 1 0 356.422 4.167 20 5 FIBDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000459632128 1100366564 /nfs/dbraw/zinc/36/65/64/1100366564.db2.gz DSQCTMJXWWSXMF-OAHLLOKOSA-N 1 0 366.421 4.146 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000536877488 1100399190 /nfs/dbraw/zinc/39/91/90/1100399190.db2.gz PAJOMFTVBODEEL-OAHLLOKOSA-N 1 0 365.543 4.318 20 5 FIBDRO Cn1cc(C[N@@H+]2CCCC3(CCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000438347682 1100615127 /nfs/dbraw/zinc/61/51/27/1100615127.db2.gz UUGIVBKFIPPFHL-UHFFFAOYSA-N 1 0 354.454 4.152 20 5 FIBDRO COc1cc(C[NH2+]CC(C)(C)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000438354075 1100625159 /nfs/dbraw/zinc/62/51/59/1100625159.db2.gz CRCLYQTXOADPAT-UHFFFAOYSA-N 1 0 360.401 4.019 20 5 FIBDRO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000426018762 1100672538 /nfs/dbraw/zinc/67/25/38/1100672538.db2.gz QFDMCUIPUQVGEM-VXGBXAGGSA-N 1 0 361.364 4.023 20 5 FIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Oc1ccccc1 ZINC000506287201 1100780656 /nfs/dbraw/zinc/78/06/56/1100780656.db2.gz YQKYSHVYHIOFBA-HNNXBMFYSA-N 1 0 352.390 4.412 20 5 FIBDRO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506294144 1100797697 /nfs/dbraw/zinc/79/76/97/1100797697.db2.gz IPSHMIJXQACRSF-FQEVSTJZSA-N 1 0 362.433 4.332 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2(c3ccc(F)cc3)CC2)c1 ZINC000518268023 1101051400 /nfs/dbraw/zinc/05/14/00/1101051400.db2.gz TYLSKAHAIYCKMB-UHFFFAOYSA-N 1 0 366.339 4.157 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3ccc(O)cc3)s2)cc1 ZINC000518275495 1101058527 /nfs/dbraw/zinc/05/85/27/1101058527.db2.gz HXBMWONWXJMJJL-UHFFFAOYSA-N 1 0 354.431 4.361 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000439312459 1101326082 /nfs/dbraw/zinc/32/60/82/1101326082.db2.gz FDJUYLGLSILTPI-FUHWJXTLSA-N 1 0 367.449 4.110 20 5 FIBDRO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1O ZINC000426355630 1101350043 /nfs/dbraw/zinc/35/00/43/1101350043.db2.gz BWPURLLOBNXEFF-LBPRGKRZSA-N 1 0 364.829 4.073 20 5 FIBDRO CC(C)C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(C(F)(F)F)c1 ZINC000537058484 1101412969 /nfs/dbraw/zinc/41/29/69/1101412969.db2.gz GGRUIKKDQOXBEA-CQSZACIVSA-N 1 0 370.375 4.224 20 5 FIBDRO Cc1ccccc1[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[C@H](C)C1 ZINC000537058075 1101415575 /nfs/dbraw/zinc/41/55/75/1101415575.db2.gz HTTVXVYLFWMDOG-URLQWDBASA-N 1 0 356.470 4.294 20 5 FIBDRO CC(C)(C)C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000537050735 1101427494 /nfs/dbraw/zinc/42/74/94/1101427494.db2.gz XGVUATAHASPWTL-KRWDZBQOSA-N 1 0 373.428 4.100 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000537097254 1101447208 /nfs/dbraw/zinc/44/72/08/1101447208.db2.gz HJZORYLMODEMCU-OLZOCXBDSA-N 1 0 353.422 4.236 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1[N+](=O)[O-] ZINC000537097255 1101447440 /nfs/dbraw/zinc/44/74/40/1101447440.db2.gz HJZORYLMODEMCU-QWHCGFSZSA-N 1 0 353.422 4.236 20 5 FIBDRO Cc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1C ZINC000537088018 1101453243 /nfs/dbraw/zinc/45/32/43/1101453243.db2.gz QBTUNWICEGJDFY-MRXNPFEDSA-N 1 0 355.438 4.199 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000426390892 1101460165 /nfs/dbraw/zinc/46/01/65/1101460165.db2.gz MTDIFEXXEOCPSI-HWKANZROSA-N 1 0 370.424 4.428 20 5 FIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760158279 1101467382 /nfs/dbraw/zinc/46/73/82/1101467382.db2.gz LVKUQHAIFIKCFQ-JTQLQIEISA-N 1 0 354.237 4.377 20 5 FIBDRO COc1ccc(OCC[NH2+][C@H](C)c2ccc(SC)cc2)c([N+](=O)[O-])c1 ZINC000439464531 1101483416 /nfs/dbraw/zinc/48/34/16/1101483416.db2.gz DKHUNDQENLRYNG-CYBMUJFWSA-N 1 0 362.451 4.055 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccc(F)c(F)c3)o2)c([N+](=O)[O-])c1 ZINC000518779419 1101542937 /nfs/dbraw/zinc/54/29/37/1101542937.db2.gz OXDGKWANAJWNNJ-UHFFFAOYSA-N 1 0 374.343 4.431 20 5 FIBDRO Cc1cc([C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)ccc1F ZINC000537219281 1101553227 /nfs/dbraw/zinc/55/32/27/1101553227.db2.gz JCKYXHNBWAEBMI-IBGZPJMESA-N 1 0 372.396 4.150 20 5 FIBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCC(C)CC1 ZINC000518786216 1101566589 /nfs/dbraw/zinc/56/65/89/1101566589.db2.gz VJBRBCBGCGFBRQ-MRXNPFEDSA-N 1 0 357.454 4.065 20 5 FIBDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000506631930 1101616237 /nfs/dbraw/zinc/61/62/37/1101616237.db2.gz RKGKRKWULNPUHZ-KRWDZBQOSA-N 1 0 356.422 4.258 20 5 FIBDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000506631931 1101617073 /nfs/dbraw/zinc/61/70/73/1101617073.db2.gz RKGKRKWULNPUHZ-QGZVFWFLSA-N 1 0 356.422 4.258 20 5 FIBDRO CC[C@H](O)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537314699 1101645708 /nfs/dbraw/zinc/64/57/08/1101645708.db2.gz PAHAXBXUEASPOS-ZDUSSCGKSA-N 1 0 352.818 4.149 20 5 FIBDRO CC[C@@H](c1cccc(OC)c1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000519026491 1101844400 /nfs/dbraw/zinc/84/44/00/1101844400.db2.gz OPTUVQVUJSCFNN-SFHVURJKSA-N 1 0 354.410 4.063 20 5 FIBDRO C[C@H]1c2ccsc2CC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506728637 1101925957 /nfs/dbraw/zinc/92/59/57/1101925957.db2.gz YHNCEEJKMJTEAZ-ZDUSSCGKSA-N 1 0 368.462 4.176 20 5 FIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000760483221 1101986847 /nfs/dbraw/zinc/98/68/47/1101986847.db2.gz IAOBMYVJPKEZJH-UMVBOHGHSA-N 1 0 369.412 4.038 20 5 FIBDRO CCC(C)(C)C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000428548481 1102046000 /nfs/dbraw/zinc/04/60/00/1102046000.db2.gz QQVJRENDSQKYBD-UHFFFAOYSA-N 1 0 364.364 4.070 20 5 FIBDRO CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001142514330 1102112373 /nfs/dbraw/zinc/11/23/73/1102112373.db2.gz LLCUAPSHIKGMET-HOTGVXAUSA-N 1 0 370.453 4.067 20 5 FIBDRO Cc1ccc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000237716693 1102121780 /nfs/dbraw/zinc/12/17/80/1102121780.db2.gz ROTIHWALNSGTSV-UHFFFAOYSA-N 1 0 353.447 4.359 20 5 FIBDRO COc1cc(C[N@@H+]2CCC23CCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537636214 1102383149 /nfs/dbraw/zinc/38/31/49/1102383149.db2.gz SHBHWWSBBVDWCR-UHFFFAOYSA-N 1 0 368.433 4.311 20 5 FIBDRO CCC[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000532469922 1102387452 /nfs/dbraw/zinc/38/74/52/1102387452.db2.gz BYOHPOYIWGXQEQ-OXJNMPFZSA-N 1 0 360.429 4.016 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2CCCCC[C@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000532575882 1102498577 /nfs/dbraw/zinc/49/85/77/1102498577.db2.gz FHVLIVFBNOFWNH-SFHVURJKSA-N 1 0 371.437 4.442 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000532585889 1102506876 /nfs/dbraw/zinc/50/68/76/1102506876.db2.gz VVZRUCJMECIMPD-SFHVURJKSA-N 1 0 371.437 4.442 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000532639299 1102634924 /nfs/dbraw/zinc/63/49/24/1102634924.db2.gz MNWNNONDYFKIFX-OAHLLOKOSA-N 1 0 357.479 4.310 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000532637961 1102640843 /nfs/dbraw/zinc/64/08/43/1102640843.db2.gz MPKKSBRSUJZIMQ-HNNXBMFYSA-N 1 0 357.479 4.310 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000619509969 1102820970 /nfs/dbraw/zinc/82/09/70/1102820970.db2.gz XYGWDYIQGYYTII-NVXWUHKLSA-N 1 0 353.422 4.007 20 5 FIBDRO COc1cc(C[NH2+]CCc2cc3ccccc3s2)c([N+](=O)[O-])cc1OC ZINC000550266366 1102891663 /nfs/dbraw/zinc/89/16/63/1102891663.db2.gz MZOBGLXEPRVYGR-UHFFFAOYSA-N 1 0 372.446 4.159 20 5 FIBDRO COc1ccc(C[NH2+]CCC2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237342601 1102960365 /nfs/dbraw/zinc/96/03/65/1102960365.db2.gz RIQQZAIUOGHVDY-UHFFFAOYSA-N 1 0 356.422 4.072 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000532754214 1103184183 /nfs/dbraw/zinc/18/41/83/1103184183.db2.gz SRYGKHYTNHKYRC-HXUWFJFHSA-N 1 0 367.449 4.241 20 5 FIBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2cc(F)cc3cccnc32)C2CC2)c1 ZINC000507169115 1103186411 /nfs/dbraw/zinc/18/64/11/1103186411.db2.gz HWMGNRGKGFPBQX-UHFFFAOYSA-N 1 0 351.381 4.447 20 5 FIBDRO COc1cc(C[NH2+]C(C)(C)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000507379727 1103336574 /nfs/dbraw/zinc/33/65/74/1103336574.db2.gz NYLNIDHPNDNSLS-UHFFFAOYSA-N 1 0 366.364 4.230 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)s2)cc1 ZINC000551563859 1103364221 /nfs/dbraw/zinc/36/42/21/1103364221.db2.gz KWVVDPFFISGUPZ-QZTJIDSGSA-N 1 0 358.463 4.467 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCc1nc3ccccc3[nH]1)CCC2 ZINC000192741572 1103421901 /nfs/dbraw/zinc/42/19/01/1103421901.db2.gz JSWQBWBCBFWMJL-QGZVFWFLSA-N 1 0 350.422 4.071 20 5 FIBDRO COCC[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000507486357 1103433609 /nfs/dbraw/zinc/43/36/09/1103433609.db2.gz VKUKKQHKFPGDQI-NJAFHUGGSA-N 1 0 358.438 4.266 20 5 FIBDRO CCSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000507554452 1103478140 /nfs/dbraw/zinc/47/81/40/1103478140.db2.gz RPMANJIGUWUQPB-UONOGXRCSA-N 1 0 373.478 4.385 20 5 FIBDRO CCSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000507548210 1103487437 /nfs/dbraw/zinc/48/74/37/1103487437.db2.gz JTCUGJCSIMKDTB-UONOGXRCSA-N 1 0 373.478 4.385 20 5 FIBDRO CC(C)c1ccc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1[N+](=O)[O-] ZINC000507710622 1103647807 /nfs/dbraw/zinc/64/78/07/1103647807.db2.gz UXAHTUNIDIABMB-UHFFFAOYSA-N 1 0 362.861 4.405 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000537842187 1103965356 /nfs/dbraw/zinc/96/53/56/1103965356.db2.gz WUDLRLOHRKJACH-HNNXBMFYSA-N 1 0 366.417 4.216 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC000538227222 1104048440 /nfs/dbraw/zinc/04/84/40/1104048440.db2.gz IOFVKMNCBMKDTN-LJQANCHMSA-N 1 0 373.428 4.358 20 5 FIBDRO CC[C@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000129463507 1104152155 /nfs/dbraw/zinc/15/21/55/1104152155.db2.gz PXAZMOJEOUPKSC-FQEVSTJZSA-N 1 0 350.422 4.081 20 5 FIBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)c(Br)c1 ZINC000052926203 1104166390 /nfs/dbraw/zinc/16/63/90/1104166390.db2.gz LRCILSYHWYCGGZ-SNVBAGLBSA-N 1 0 353.191 4.347 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000441386122 1104321526 /nfs/dbraw/zinc/32/15/26/1104321526.db2.gz WDMGXVYLMUOUOB-INIZCTEOSA-N 1 0 360.841 4.287 20 5 FIBDRO CN(C)C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000579251589 1104331862 /nfs/dbraw/zinc/33/18/62/1104331862.db2.gz BRFHVIJNDITIEL-ZWKOTPCHSA-N 1 0 359.857 4.128 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CCO)c3ccco3)s2)cc1 ZINC000184511829 1104503126 /nfs/dbraw/zinc/50/31/26/1104503126.db2.gz GFQXEDOYGUUVHK-INIZCTEOSA-N 1 0 358.419 4.130 20 5 FIBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]2CCCC[C@H]12 ZINC000543906031 1104731529 /nfs/dbraw/zinc/73/15/29/1104731529.db2.gz QRAAUPGEECQNQG-OLMNPRSZSA-N 1 0 355.438 4.303 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CCOC(F)(F)F)ccc1Oc1ccc(F)cc1 ZINC000473992963 1104961324 /nfs/dbraw/zinc/96/13/24/1104961324.db2.gz GKWXBVQREUYOOD-UHFFFAOYSA-N 1 0 374.290 4.152 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000067401302 1104989841 /nfs/dbraw/zinc/98/98/41/1104989841.db2.gz GFNBLGXEMJLYAC-HXUWFJFHSA-N 1 0 374.868 4.236 20 5 FIBDRO CC(C)C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccs1 ZINC000507915247 1105265644 /nfs/dbraw/zinc/26/56/44/1105265644.db2.gz TXBOKCYVANVRSR-INIZCTEOSA-N 1 0 362.451 4.400 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000427855977 1105296568 /nfs/dbraw/zinc/29/65/68/1105296568.db2.gz UUAKMKFZBFKTMV-CYBMUJFWSA-N 1 0 372.856 4.246 20 5 FIBDRO CSCCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237503075 1106744264 /nfs/dbraw/zinc/74/42/64/1106744264.db2.gz HZHVCSFWAUOHJG-UHFFFAOYSA-N 1 0 350.415 4.369 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000451109429 1106925460 /nfs/dbraw/zinc/92/54/60/1106925460.db2.gz CGOQXLIAYOBWPK-CQSZACIVSA-N 1 0 353.422 4.070 20 5 FIBDRO Cc1cc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000451102571 1106932982 /nfs/dbraw/zinc/93/29/82/1106932982.db2.gz DKRHQJNRUZMVHT-JKSUJKDBSA-N 1 0 355.438 4.198 20 5 FIBDRO COCC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000451698651 1107256022 /nfs/dbraw/zinc/25/60/22/1107256022.db2.gz ZRWSDGVUOWZJCG-INIZCTEOSA-N 1 0 368.355 4.481 20 5 FIBDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000531204164 1107646403 /nfs/dbraw/zinc/64/64/03/1107646403.db2.gz CJWGIIGLDXJTBS-JKSUJKDBSA-N 1 0 355.438 4.198 20 5 FIBDRO CO[C@@]1(C)CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000475584045 1107807044 /nfs/dbraw/zinc/80/70/44/1107807044.db2.gz XSEMXURCBHTWGC-SFHVURJKSA-N 1 0 361.467 4.109 20 5 FIBDRO CC(C)C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000519904943 1107822299 /nfs/dbraw/zinc/82/22/99/1107822299.db2.gz LHBPBOWPEZMYBJ-UHFFFAOYSA-N 1 0 366.421 4.303 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000531451739 1107896368 /nfs/dbraw/zinc/89/63/68/1107896368.db2.gz CTAKSLLOJVZPNW-OCCSQVGLSA-N 1 0 360.376 4.452 20 5 FIBDRO Cc1c(C[NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC001648973016 1107953510 /nfs/dbraw/zinc/95/35/10/1107953510.db2.gz BDEHUPWNQGREQU-HNNXBMFYSA-N 1 0 359.857 4.173 20 5 FIBDRO C[N@H+](Cc1ccccc1)C1(CNc2ccc([N+](=O)[O-])cn2)CCCCC1 ZINC000714228795 1108392649 /nfs/dbraw/zinc/39/26/49/1108392649.db2.gz QESUTHGZPAIUOD-UHFFFAOYSA-N 1 0 354.454 4.237 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCc2ncccc2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453307338 1108395287 /nfs/dbraw/zinc/39/52/87/1108395287.db2.gz KGKYTKLHYMDIPH-OAQYLSRUSA-N 1 0 365.433 4.375 20 5 FIBDRO CCC[C@H]([NH2+][C@H]1CCO[C@@H](c2ccncc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453333682 1108423428 /nfs/dbraw/zinc/42/34/28/1108423428.db2.gz DFTJAVKPSUTFBM-YSIASYRMSA-N 1 0 355.438 4.341 20 5 FIBDRO CCC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453333684 1108423969 /nfs/dbraw/zinc/42/39/69/1108423969.db2.gz DFTJAVKPSUTFBM-YZGWKJHDSA-N 1 0 355.438 4.341 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCC[C@@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453367997 1108484367 /nfs/dbraw/zinc/48/43/67/1108484367.db2.gz MQSGRDVGAHBPCN-FOIQADDNSA-N 1 0 358.438 4.246 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000531981162 1108498130 /nfs/dbraw/zinc/49/81/30/1108498130.db2.gz GSUJFJWHKWLGIY-HNNXBMFYSA-N 1 0 368.412 4.121 20 5 FIBDRO CC1(C)C[C@@H](C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000453407742 1108507538 /nfs/dbraw/zinc/50/75/38/1108507538.db2.gz GNCSVHQQGRMRSR-OXJNMPFZSA-N 1 0 354.450 4.479 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000532209634 1108712630 /nfs/dbraw/zinc/71/26/30/1108712630.db2.gz DUAVYXYOXNSFKY-GJZGRUSLSA-N 1 0 359.495 4.062 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000532209633 1108712758 /nfs/dbraw/zinc/71/27/58/1108712758.db2.gz DUAVYXYOXNSFKY-CABCVRRESA-N 1 0 359.495 4.062 20 5 FIBDRO CCCC[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000021819335 1108963002 /nfs/dbraw/zinc/96/30/02/1108963002.db2.gz SXTPIISCSOTGAC-QGZVFWFLSA-N 1 0 361.829 4.318 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000445992910 1109072882 /nfs/dbraw/zinc/07/28/82/1109072882.db2.gz REUWDMQEFIZLLX-IEZWGBDMSA-N 1 0 367.449 4.156 20 5 FIBDRO C[C@H]([NH2+]C1(CNC(=O)c2csc([N+](=O)[O-])c2)CCCC1)c1ccccc1 ZINC000524635428 1109106223 /nfs/dbraw/zinc/10/62/23/1109106223.db2.gz UNUDXTYOXJZKFB-AWEZNQCLSA-N 1 0 373.478 4.050 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(c3ccccc3Br)CC2)c1 ZINC000524947274 1109217754 /nfs/dbraw/zinc/21/77/54/1109217754.db2.gz QXOXHSFMOJWVSQ-UHFFFAOYSA-N 1 0 361.239 4.179 20 5 FIBDRO COc1ccc(OC2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000525270342 1109319067 /nfs/dbraw/zinc/31/90/67/1109319067.db2.gz PJQBBCMOZAPVFD-HNNXBMFYSA-N 1 0 356.422 4.208 20 5 FIBDRO COc1ccc(C[NH+]2CCC(OCC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000525271918 1109319631 /nfs/dbraw/zinc/31/96/31/1109319631.db2.gz SSEWPLJQNCIGPC-UHFFFAOYSA-N 1 0 362.470 4.165 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CC(c4cccc(Cl)c4)C3)nc2c1 ZINC000446849062 1109357274 /nfs/dbraw/zinc/35/72/74/1109357274.db2.gz LBMKLFASHJNALK-UHFFFAOYSA-N 1 0 356.813 4.160 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@H](C)[C@@H](C)CO)cc2[N+](=O)[O-])cc1 ZINC000525406074 1109374063 /nfs/dbraw/zinc/37/40/63/1109374063.db2.gz SMPZNCZRSORXEV-LSDHHAIUSA-N 1 0 360.479 4.161 20 5 FIBDRO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[C@H]1c1ccccc1 ZINC000525639665 1109464807 /nfs/dbraw/zinc/46/48/07/1109464807.db2.gz VWXGQLQMRITJBT-MGPUTAFESA-N 1 0 368.433 4.087 20 5 FIBDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]2CCCO[C@@H]21 ZINC000525708846 1109488801 /nfs/dbraw/zinc/48/88/01/1109488801.db2.gz JTDLDJFJIZSDOA-LZQZEXGQSA-N 1 0 356.422 4.148 20 5 FIBDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]2CCCO[C@H]21 ZINC000525708751 1109489018 /nfs/dbraw/zinc/48/90/18/1109489018.db2.gz WUNOAEOBYKPKCQ-BHIYHBOVSA-N 1 0 356.422 4.148 20 5 FIBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000441264267 1109549281 /nfs/dbraw/zinc/54/92/81/1109549281.db2.gz XUGQOIKOLFFAHQ-GOSISDBHSA-N 1 0 356.422 4.128 20 5 FIBDRO Cc1ccc(OCCCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447527364 1109562923 /nfs/dbraw/zinc/56/29/23/1109562923.db2.gz DVLQSPYGBWKGAU-RTBURBONSA-N 1 0 372.469 4.032 20 5 FIBDRO CN(C)[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000447538485 1109572774 /nfs/dbraw/zinc/57/27/74/1109572774.db2.gz CFQGEYUVDSKDRJ-WOJBJXKFSA-N 1 0 357.429 4.004 20 5 FIBDRO CC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCCO2 ZINC000447546452 1109575176 /nfs/dbraw/zinc/57/51/76/1109575176.db2.gz WAGCQGSBLBPLAD-RBUKOAKNSA-N 1 0 368.433 4.484 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000447587772 1109587329 /nfs/dbraw/zinc/58/73/29/1109587329.db2.gz RJNCYJCGMLNXDM-LJISPDSOSA-N 1 0 374.407 4.233 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCSc3ccccc32)n1 ZINC000447585481 1109587381 /nfs/dbraw/zinc/58/73/81/1109587381.db2.gz JFHLDSDYWIDYIV-BZUAXINKSA-N 1 0 358.467 4.102 20 5 FIBDRO CC(C)c1ccccc1OCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447588949 1109588194 /nfs/dbraw/zinc/58/81/94/1109588194.db2.gz VYINYQKQRHVBIO-QZTJIDSGSA-N 1 0 372.469 4.067 20 5 FIBDRO Cc1oc2ccccc2c1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447597860 1109591700 /nfs/dbraw/zinc/59/17/00/1109591700.db2.gz GEIADCBCVNLMFG-ZWKOTPCHSA-N 1 0 368.437 4.162 20 5 FIBDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CCO2 ZINC000447598070 1109592179 /nfs/dbraw/zinc/59/21/79/1109592179.db2.gz HIIPSJKQZAMVSB-MOPGFXCFSA-N 1 0 354.406 4.094 20 5 FIBDRO Cc1oc2ccccc2c1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447606379 1109600934 /nfs/dbraw/zinc/60/09/34/1109600934.db2.gz MDUUBBLNDBUNRY-DLBZAZTESA-N 1 0 354.410 4.119 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(Oc2ccncc2C)CC1 ZINC000429719152 1109604706 /nfs/dbraw/zinc/60/47/06/1109604706.db2.gz TYZWZCGGPGVKBW-MRXNPFEDSA-N 1 0 355.438 4.211 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000526108015 1109623004 /nfs/dbraw/zinc/62/30/04/1109623004.db2.gz QDPATKZXUFGFFT-WOSRLPQWSA-N 1 0 360.376 4.037 20 5 FIBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCC(C(F)(F)F)CC1 ZINC000527518076 1109772568 /nfs/dbraw/zinc/77/25/68/1109772568.db2.gz ASBMPGPHBLWJFO-IYXRBSQSSA-N 1 0 360.376 4.320 20 5 FIBDRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000449080017 1109974825 /nfs/dbraw/zinc/97/48/25/1109974825.db2.gz RZBBKZODDKYYGN-CABCVRRESA-N 1 0 358.438 4.202 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000449171441 1109988211 /nfs/dbraw/zinc/98/82/11/1109988211.db2.gz AGCXAVLAYDTYKE-DBXWQHBBSA-N 1 0 367.493 4.169 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)cc1 ZINC000449219063 1109999869 /nfs/dbraw/zinc/99/98/69/1109999869.db2.gz MKOHNQVJPPPJOZ-HNNXBMFYSA-N 1 0 365.202 4.274 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000449225413 1110001894 /nfs/dbraw/zinc/00/18/94/1110001894.db2.gz OKQJEFPBTILDKK-ZDUSSCGKSA-N 1 0 374.391 4.103 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000449293045 1110025640 /nfs/dbraw/zinc/02/56/40/1110025640.db2.gz TUHVMOKOACHVHP-AUUYWEPGSA-N 1 0 355.438 4.023 20 5 FIBDRO CC(C)(C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000449391582 1110055287 /nfs/dbraw/zinc/05/52/87/1110055287.db2.gz FRIUZVWPFSWCFF-WMZOPIPTSA-N 1 0 353.466 4.268 20 5 FIBDRO C[C@@H](CCCO)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000449406609 1110060337 /nfs/dbraw/zinc/06/03/37/1110060337.db2.gz BLARZTVJOIMJIB-AWEZNQCLSA-N 1 0 362.401 4.024 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)o1 ZINC000449478284 1110085047 /nfs/dbraw/zinc/08/50/47/1110085047.db2.gz REDXYNAVOGTBLK-OAHLLOKOSA-N 1 0 356.422 4.294 20 5 FIBDRO CC(C)(C)c1ncc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449498482 1110093426 /nfs/dbraw/zinc/09/34/26/1110093426.db2.gz KSMDTTWZQUEGMS-KRWDZBQOSA-N 1 0 354.454 4.062 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000449665638 1110140613 /nfs/dbraw/zinc/14/06/13/1110140613.db2.gz FWEIRUYLDUNQGU-KRWDZBQOSA-N 1 0 369.248 4.207 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+](C[C@H]3CCOC3)C3CC3)s2)cc1 ZINC000129919826 1110213262 /nfs/dbraw/zinc/21/32/62/1110213262.db2.gz GSCGSSRBPHEFRG-CQSZACIVSA-N 1 0 358.463 4.324 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)OC)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000450686581 1110329880 /nfs/dbraw/zinc/32/98/80/1110329880.db2.gz UYCWVLMSWMQSAB-QGZVFWFLSA-N 1 0 362.813 4.276 20 5 FIBDRO Cc1cc(C[NH+](C)C)cc(N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000538547704 1111188250 /nfs/dbraw/zinc/18/82/50/1111188250.db2.gz AYIDBDQKHIJWLZ-FQEVSTJZSA-N 1 0 353.466 4.398 20 5 FIBDRO C[C@@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCOC1 ZINC000538610196 1111220713 /nfs/dbraw/zinc/22/07/13/1111220713.db2.gz OJRFVRGFOFBONA-QGZVFWFLSA-N 1 0 350.802 4.167 20 5 FIBDRO C[C@H]1C[C@@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCO1 ZINC000538877794 1111335309 /nfs/dbraw/zinc/33/53/09/1111335309.db2.gz QOMJLQGOVIGNNG-HOCLYGCPSA-N 1 0 374.412 4.431 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCO[C@@H](C(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000538967213 1111363057 /nfs/dbraw/zinc/36/30/57/1111363057.db2.gz CWTGXMUBVZASLB-VBKZILBWSA-N 1 0 374.437 4.157 20 5 FIBDRO CC[C@H]([NH2+][C@H](C)[C@H](OC)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539051111 1111400069 /nfs/dbraw/zinc/40/00/69/1111400069.db2.gz WWILDLASWMJPIP-UAOJZALGSA-N 1 0 358.438 4.420 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000539055846 1111402900 /nfs/dbraw/zinc/40/29/00/1111402900.db2.gz LNVAFFIYYYWNDV-OXJNMPFZSA-N 1 0 356.466 4.356 20 5 FIBDRO COc1cc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000539253023 1111487092 /nfs/dbraw/zinc/48/70/92/1111487092.db2.gz QVOJYDMMGZZUCG-HNNXBMFYSA-N 1 0 374.437 4.120 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000539260387 1111498698 /nfs/dbraw/zinc/49/86/98/1111498698.db2.gz CKOSOOOOPFKHEZ-INIZCTEOSA-N 1 0 369.465 4.188 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C(C)C)c2)cc1[N+](=O)[O-] ZINC000539376503 1111543033 /nfs/dbraw/zinc/54/30/33/1111543033.db2.gz HJXGKDAKRLACHB-OAHLLOKOSA-N 1 0 355.438 4.316 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)cccc1[N+](=O)[O-] ZINC000477857353 1111579850 /nfs/dbraw/zinc/57/98/50/1111579850.db2.gz RJKJUXZHVJAKNV-XGHQBKJUSA-N 1 0 356.466 4.184 20 5 FIBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc2ccccc2c2cccnc12 ZINC000477881317 1111588302 /nfs/dbraw/zinc/58/83/02/1111588302.db2.gz AMIIIUKJRMGKKX-UHFFFAOYSA-N 1 0 359.473 4.135 20 5 FIBDRO Cc1cccc([C@H](C)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000552244820 1111635603 /nfs/dbraw/zinc/63/56/03/1111635603.db2.gz MVSCBVDLNCIGDZ-OXQOHEQNSA-N 1 0 364.449 4.119 20 5 FIBDRO Cc1c(C[NH2+][C@@H](C)CC(=O)Nc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000478496068 1111794144 /nfs/dbraw/zinc/79/41/44/1111794144.db2.gz WZRPRYDOBHDCSG-LBPRGKRZSA-N 1 0 361.829 4.064 20 5 FIBDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000479293668 1111986858 /nfs/dbraw/zinc/98/68/58/1111986858.db2.gz DETJTGYMPPYRRD-CYBMUJFWSA-N 1 0 363.255 4.121 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(C)CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000479453414 1112028863 /nfs/dbraw/zinc/02/88/63/1112028863.db2.gz MXBFQMKYLNWJGE-ICXUMSERSA-N 1 0 350.459 4.239 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@H](c2ccccc2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000479850978 1112169965 /nfs/dbraw/zinc/16/99/65/1112169965.db2.gz JPJGXWDLLGVFSU-LAUBAEHRSA-N 1 0 353.466 4.391 20 5 FIBDRO CCCCOc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000480468211 1112435932 /nfs/dbraw/zinc/43/59/32/1112435932.db2.gz NPEZKFUFWDRSKA-UHFFFAOYSA-N 1 0 358.438 4.381 20 5 FIBDRO CN(C(=O)C[NH2+][C@H](CC1CCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000481249501 1112822643 /nfs/dbraw/zinc/82/26/43/1112822643.db2.gz AMWKIZHWALPQOI-HXUWFJFHSA-N 1 0 367.449 4.079 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@H]2c2ccncc2)c1 ZINC000555417907 1112831733 /nfs/dbraw/zinc/83/17/33/1112831733.db2.gz UZHFYCIRUYDEIE-INIZCTEOSA-N 1 0 351.328 4.346 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000482358514 1113231968 /nfs/dbraw/zinc/23/19/68/1113231968.db2.gz MPTUAIXPXLQLKQ-JENIJYKNSA-N 1 0 353.466 4.389 20 5 FIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000162919972 1113249285 /nfs/dbraw/zinc/24/92/85/1113249285.db2.gz JSCPTHAOSWCNPZ-KRWDZBQOSA-N 1 0 353.466 4.350 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]CCC2CCN(CC(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000159997825 1113280460 /nfs/dbraw/zinc/28/04/60/1113280460.db2.gz TVRWMUKPRHURHQ-CQSZACIVSA-N 1 0 373.419 4.218 20 5 FIBDRO CCCCNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000160104361 1113297932 /nfs/dbraw/zinc/29/79/32/1113297932.db2.gz FXIDUBDLJBMXMU-INIZCTEOSA-N 1 0 369.465 4.284 20 5 FIBDRO Cc1nc2ccccc2n1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000482895203 1113393516 /nfs/dbraw/zinc/39/35/16/1113393516.db2.gz GFKGGEPXRXDRFG-UHFFFAOYSA-N 1 0 364.449 4.133 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H](CCCO)c1ccccc1)C1CC1 ZINC000160690337 1113435597 /nfs/dbraw/zinc/43/55/97/1113435597.db2.gz AWTFBCNTVPKGGL-UXHICEINSA-N 1 0 354.450 4.019 20 5 FIBDRO COc1cccc(N2CCC[C@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000483168445 1113460225 /nfs/dbraw/zinc/46/02/25/1113460225.db2.gz MJQAVTIBXSLTCX-IRXDYDNUSA-N 1 0 369.465 4.231 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2cccc(F)c2F)o1 ZINC000489054339 1114038180 /nfs/dbraw/zinc/03/81/80/1114038180.db2.gz PLWNUVYBVXXQPC-UHFFFAOYSA-N 1 0 358.344 4.465 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000151044545 1114281505 /nfs/dbraw/zinc/28/15/05/1114281505.db2.gz VQLNAFITOSLSMT-MRXNPFEDSA-N 1 0 367.449 4.271 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2cc(F)cc3cccnc32)C2CC2)cc1 ZINC000490802210 1114334533 /nfs/dbraw/zinc/33/45/33/1114334533.db2.gz NJQLPCSMKUWIHS-UHFFFAOYSA-N 1 0 351.381 4.447 20 5 FIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000586789092 1114394068 /nfs/dbraw/zinc/39/40/68/1114394068.db2.gz MEFDIRPVSWMITR-HMXCVIKNSA-N 1 0 354.450 4.078 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000760650229 1114402386 /nfs/dbraw/zinc/40/23/86/1114402386.db2.gz ZLZAPDJNBXMTJT-SOFGYWHQSA-N 1 0 352.434 4.028 20 5 FIBDRO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000055152013 1114421888 /nfs/dbraw/zinc/42/18/88/1114421888.db2.gz GHKPVCDMBUAPET-LSDHHAIUSA-N 1 0 371.437 4.060 20 5 FIBDRO CC[C@H]1c2ccsc2CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000164798298 1114585274 /nfs/dbraw/zinc/58/52/74/1114585274.db2.gz TXPAUDPBZPGGBS-KRWDZBQOSA-N 1 0 373.478 4.303 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000588930212 1114676245 /nfs/dbraw/zinc/67/62/45/1114676245.db2.gz UBOQZXIOULZKNG-DZXKJOIRSA-N 1 0 360.841 4.017 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000165875992 1114905056 /nfs/dbraw/zinc/90/50/56/1114905056.db2.gz ATSVOTMGHLVWON-INIZCTEOSA-N 1 0 363.417 4.420 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(CNc3cc4c(c[nH+]3)CCC4)cs2)c1 ZINC000590195388 1114906218 /nfs/dbraw/zinc/90/62/18/1114906218.db2.gz TUFDGBVFNDTNTM-UHFFFAOYSA-N 1 0 352.419 4.214 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4ccccn4)C3)co2)cc1 ZINC000590600700 1114952234 /nfs/dbraw/zinc/95/22/34/1114952234.db2.gz KUCJINCHPSGRSC-INIZCTEOSA-N 1 0 364.405 4.024 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C1CCC(OC(F)F)CC1 ZINC000590662245 1114960712 /nfs/dbraw/zinc/96/07/12/1114960712.db2.gz FPDWTKFOPGVRGC-MFNRNEDNSA-N 1 0 368.424 4.446 20 5 FIBDRO CC1(C)C[C@H]([NH2+]C2CCC(OC(F)F)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000590780043 1114972769 /nfs/dbraw/zinc/97/27/69/1114972769.db2.gz ACIICFBXQNQYEG-TZDAIYRESA-N 1 0 354.397 4.457 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C/C=C\c1ccccc1)[C@H]1CC[C@H](O)CC1 ZINC000592131233 1115205332 /nfs/dbraw/zinc/20/53/32/1115205332.db2.gz UQZNFNLLMHDAEZ-FOQNPZQPSA-N 1 0 366.461 4.414 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(c2ccccc2F)CCC1 ZINC000592145088 1115208407 /nfs/dbraw/zinc/20/84/07/1115208407.db2.gz VBNLHJZVYPVWDE-UHFFFAOYSA-N 1 0 371.412 4.040 20 5 FIBDRO Cc1c(C[NH2+][C@H](c2ccccc2)C2(CO)CC=CC2)cccc1[N+](=O)[O-] ZINC000592175260 1115218632 /nfs/dbraw/zinc/21/86/32/1115218632.db2.gz GQWLETOOLKPLBN-HXUWFJFHSA-N 1 0 352.434 4.063 20 5 FIBDRO COc1ccc(C[NH2+]C2(CF)CCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000592380342 1115225044 /nfs/dbraw/zinc/22/50/44/1115225044.db2.gz SCHXNWVXTQRTFF-UHFFFAOYSA-N 1 0 374.412 4.164 20 5 FIBDRO Cc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CC=CC2)cc1[N+](=O)[O-] ZINC000592530816 1115241159 /nfs/dbraw/zinc/24/11/59/1115241159.db2.gz VKCJWFBTUHUWMK-HXUWFJFHSA-N 1 0 352.434 4.063 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000593076378 1115299325 /nfs/dbraw/zinc/29/93/25/1115299325.db2.gz AQUIYARPYGOWDD-HBUWYVDXSA-N 1 0 370.453 4.117 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000593077911 1115299808 /nfs/dbraw/zinc/29/98/08/1115299808.db2.gz RYLGSFMAVBFVSO-KEYYUXOJSA-N 1 0 370.453 4.117 20 5 FIBDRO CC[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCCO1 ZINC000594517983 1115458702 /nfs/dbraw/zinc/45/87/02/1115458702.db2.gz FPOLYBFCYTYMEI-IAGOWNOFSA-N 1 0 361.467 4.156 20 5 FIBDRO COc1cccc2c1OCC[C@@H]2[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000594523081 1115460078 /nfs/dbraw/zinc/46/00/78/1115460078.db2.gz NAFUHDLHXYSGAK-RMHQSFGDSA-N 1 0 354.406 4.120 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000594610720 1115471369 /nfs/dbraw/zinc/47/13/69/1115471369.db2.gz BQQYXUDVHDCICZ-QPJJXVBHSA-N 1 0 374.444 4.431 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(F)cc1CSC ZINC000595023434 1115505289 /nfs/dbraw/zinc/50/52/89/1115505289.db2.gz YCSZGASCQRYRGN-GFCCVEGCSA-N 1 0 364.442 4.456 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(NC(=O)C(C)C)cc1 ZINC000595003739 1115507424 /nfs/dbraw/zinc/50/74/24/1115507424.db2.gz LESCJLDGNYWGTE-AWEZNQCLSA-N 1 0 371.437 4.049 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000595003879 1115507470 /nfs/dbraw/zinc/50/74/70/1115507470.db2.gz MRNPNNUTUZWSME-OXJNMPFZSA-N 1 0 369.465 4.091 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000595007249 1115507947 /nfs/dbraw/zinc/50/79/47/1115507947.db2.gz LCYKMKPXVGLVEY-MRXNPFEDSA-N 1 0 370.449 4.002 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1N1CCCC1)CCCC2 ZINC000595065636 1115509203 /nfs/dbraw/zinc/50/92/03/1115509203.db2.gz IVEDBRIUDDWGAS-HXUWFJFHSA-N 1 0 366.465 4.147 20 5 FIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccc(OC)c(OC)c1 ZINC000595042414 1115511111 /nfs/dbraw/zinc/51/11/11/1115511111.db2.gz FYNXTNFMEDEVSQ-CXAGYDPISA-N 1 0 374.437 4.423 20 5 FIBDRO C[C@@H]([NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000595102451 1115516055 /nfs/dbraw/zinc/51/60/55/1115516055.db2.gz ICGBBWHTHIMFRU-IERDGZPVSA-N 1 0 370.449 4.141 20 5 FIBDRO C[C@H]([NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000595103366 1115516579 /nfs/dbraw/zinc/51/65/79/1115516579.db2.gz LZYFPMKNULOGAR-KKSFZXQISA-N 1 0 370.449 4.141 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000595095286 1115518020 /nfs/dbraw/zinc/51/80/20/1115518020.db2.gz IAKIVKVHCYQSQQ-JHVJFLLYSA-N 1 0 372.465 4.402 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+]C1CCC(C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595093919 1115518200 /nfs/dbraw/zinc/51/82/00/1115518200.db2.gz PUOBSGXBUUGBBB-OUNSHVDWSA-N 1 0 368.481 4.366 20 5 FIBDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000575026889 1115530164 /nfs/dbraw/zinc/53/01/64/1115530164.db2.gz FCZCDGDHHFVNIU-WMLDXEAASA-N 1 0 356.422 4.195 20 5 FIBDRO Cc1noc(C[NH2+][C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000595433465 1115535786 /nfs/dbraw/zinc/53/57/86/1115535786.db2.gz WWUUFVJANORAQW-UWVGGRQHSA-N 1 0 357.332 4.192 20 5 FIBDRO Cc1noc(C[N@@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000595484954 1115536686 /nfs/dbraw/zinc/53/66/86/1115536686.db2.gz PUCPHTSGMIBJNP-CYBMUJFWSA-N 1 0 369.343 4.290 20 5 FIBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](c2ccccc2C)C(C)C)c1 ZINC000593018844 1115537506 /nfs/dbraw/zinc/53/75/06/1115537506.db2.gz GNFASAWQIKJDHN-IBGZPJMESA-N 1 0 356.422 4.177 20 5 FIBDRO CCn1nccc1C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000596096669 1115574871 /nfs/dbraw/zinc/57/48/71/1115574871.db2.gz WXMIXKRFPAKYBW-CYBMUJFWSA-N 1 0 356.451 4.391 20 5 FIBDRO CCC(CC)(CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000596118435 1115574897 /nfs/dbraw/zinc/57/48/97/1115574897.db2.gz ACCMAQAYGIDXNR-CQSZACIVSA-N 1 0 358.442 4.017 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnccc1C(F)(F)F ZINC000596117495 1115574909 /nfs/dbraw/zinc/57/49/09/1115574909.db2.gz HWBXIENVSWSLEG-GFCCVEGCSA-N 1 0 353.344 4.120 20 5 FIBDRO C[NH+](C)CCOc1ccccc1CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596114397 1115576192 /nfs/dbraw/zinc/57/61/92/1115576192.db2.gz BICJBTZACMQZEN-UHFFFAOYSA-N 1 0 365.380 4.085 20 5 FIBDRO O=[N+]([O-])c1ccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c2ncccc12 ZINC000601686695 1115659565 /nfs/dbraw/zinc/65/95/65/1115659565.db2.gz MFOLBYVTQUACCD-HXUWFJFHSA-N 1 0 362.433 4.392 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)c([N+](=O)[O-])cc1OC ZINC000598996507 1115777302 /nfs/dbraw/zinc/77/73/02/1115777302.db2.gz VFQILRBNMPUAIH-HNNXBMFYSA-N 1 0 362.813 4.043 20 5 FIBDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c(OC)c1 ZINC000599073790 1115787674 /nfs/dbraw/zinc/78/76/74/1115787674.db2.gz RNQZUFSWVIJGEO-ORAYPTAESA-N 1 0 356.422 4.340 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2csc(C(F)(F)F)c2)n1 ZINC000599089250 1115788384 /nfs/dbraw/zinc/78/83/84/1115788384.db2.gz YOFFCUOYHBWNQT-VXGBXAGGSA-N 1 0 374.388 4.145 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(CN3CCc4ccccc43)cc2)c1 ZINC000603633432 1115801270 /nfs/dbraw/zinc/80/12/70/1115801270.db2.gz HATRRYRQNDSWEI-UHFFFAOYSA-N 1 0 373.456 4.447 20 5 FIBDRO O=[N+]([O-])c1c(NCc2ccc(C[NH+]3CCCC3)cc2)ccc2ncccc21 ZINC000603842970 1115820432 /nfs/dbraw/zinc/82/04/32/1115820432.db2.gz TWWOMZNWGNMTLH-UHFFFAOYSA-N 1 0 362.433 4.351 20 5 FIBDRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1[N+](=O)[O-] ZINC000603889937 1115826367 /nfs/dbraw/zinc/82/63/67/1115826367.db2.gz GNDSAHZKXMOTNO-KRWDZBQOSA-N 1 0 365.433 4.464 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000599642808 1115833308 /nfs/dbraw/zinc/83/33/08/1115833308.db2.gz WKCBKRSLOINSOY-AWEZNQCLSA-N 1 0 370.453 4.261 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@H]2C2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000604012927 1115840710 /nfs/dbraw/zinc/84/07/10/1115840710.db2.gz FYAAMFGEFCBUFC-AWEZNQCLSA-N 1 0 370.396 4.359 20 5 FIBDRO Cc1ccc([C@H](C)[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000604435460 1115865241 /nfs/dbraw/zinc/86/52/41/1115865241.db2.gz BUQUNDKWDCGPKF-INIZCTEOSA-N 1 0 355.438 4.233 20 5 FIBDRO Cc1c(C[NH+]2CCC(c3ccc4cccnc4n3)CC2)cccc1[N+](=O)[O-] ZINC000594020314 1115962285 /nfs/dbraw/zinc/96/22/85/1115962285.db2.gz HIJJOHHEQPJJSQ-UHFFFAOYSA-N 1 0 362.433 4.226 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000594043986 1115977576 /nfs/dbraw/zinc/97/75/76/1115977576.db2.gz LHMANWSTRSGNED-ZDUSSCGKSA-N 1 0 369.412 4.035 20 5 FIBDRO C[C@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000173426588 1116065775 /nfs/dbraw/zinc/06/57/75/1116065775.db2.gz QLWXGTNEUHEVKO-MGPLVRAMSA-N 1 0 355.221 4.286 20 5 FIBDRO COc1ccc(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000608834929 1116130942 /nfs/dbraw/zinc/13/09/42/1116130942.db2.gz QWAKZGGKLHGQRR-UHFFFAOYSA-N 1 0 352.390 4.196 20 5 FIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCC[C@H]1C ZINC000608836316 1116131123 /nfs/dbraw/zinc/13/11/23/1116131123.db2.gz HWCNGVQCFKCFAD-CVEARBPZSA-N 1 0 357.454 4.207 20 5 FIBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000608836911 1116131150 /nfs/dbraw/zinc/13/11/50/1116131150.db2.gz YIYBXRFQESDIMK-HZPDHXFCSA-N 1 0 357.454 4.065 20 5 FIBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)ccc21 ZINC000456270281 1116173436 /nfs/dbraw/zinc/17/34/36/1116173436.db2.gz KEUPCJMDRRZLMB-KRWDZBQOSA-N 1 0 365.389 4.142 20 5 FIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456287112 1116174276 /nfs/dbraw/zinc/17/42/76/1116174276.db2.gz VTJVXHIYLIWURW-GOSISDBHSA-N 1 0 367.449 4.321 20 5 FIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456293236 1116175010 /nfs/dbraw/zinc/17/50/10/1116175010.db2.gz CBXLYPDXQAMPCE-INIZCTEOSA-N 1 0 373.840 4.358 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1nc2c(s1)CCCC2)C1CC1 ZINC000089667106 1116228744 /nfs/dbraw/zinc/22/87/44/1116228744.db2.gz DEGZDRQDJPQIGI-KRWDZBQOSA-N 1 0 371.506 4.084 20 5 FIBDRO COc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)cc1[N+](=O)[O-] ZINC000534828749 1116240484 /nfs/dbraw/zinc/24/04/84/1116240484.db2.gz NNOQTJRLYMTCOU-UHFFFAOYSA-N 1 0 362.376 4.441 20 5 FIBDRO COc1ccc(C[NH+]2C3CCC2CC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535069999 1116266874 /nfs/dbraw/zinc/26/68/74/1116266874.db2.gz WUJFGVWEWGFWFR-UHFFFAOYSA-N 1 0 368.433 4.309 20 5 FIBDRO C[C@H](CO)CCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000535369637 1116299757 /nfs/dbraw/zinc/29/97/57/1116299757.db2.gz MEPHRFXWBYYTCB-AWEZNQCLSA-N 1 0 362.401 4.024 20 5 FIBDRO CC1CC[NH+](CCc2cccc(NC(=O)c3ccc([N+](=O)[O-])s3)c2)CC1 ZINC000539898567 1117740555 /nfs/dbraw/zinc/74/05/55/1117740555.db2.gz WPYIOJRIINFQOT-UHFFFAOYSA-N 1 0 373.478 4.183 20 5 FIBDRO COc1ccc(O[C@H](C)C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000462735870 1117741589 /nfs/dbraw/zinc/74/15/89/1117741589.db2.gz FJMMECBTYLCEGR-OAHLLOKOSA-N 1 0 358.438 4.284 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](OC)c1cccc(Cl)c1 ZINC000462755797 1117756110 /nfs/dbraw/zinc/75/61/10/1117756110.db2.gz LPQJTXDVTGRMJK-SFHVURJKSA-N 1 0 364.829 4.124 20 5 FIBDRO CC(C)(C)c1nnc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000540158010 1117902138 /nfs/dbraw/zinc/90/21/38/1117902138.db2.gz RFAAITYTWWLHKA-DZGCQCFKSA-N 1 0 374.510 4.245 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000540152230 1117906153 /nfs/dbraw/zinc/90/61/53/1117906153.db2.gz SGTVJPJVGZBXQS-BLLLJJGKSA-N 1 0 368.355 4.306 20 5 FIBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1Cl ZINC000540168917 1117911144 /nfs/dbraw/zinc/91/11/44/1117911144.db2.gz IDMFQHJZAFHSSW-NSHDSACASA-N 1 0 350.802 4.116 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000540176080 1117915236 /nfs/dbraw/zinc/91/52/36/1117915236.db2.gz PJGCVNYKQUSBSX-AWEZNQCLSA-N 1 0 368.462 4.315 20 5 FIBDRO CC[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000463036225 1117928996 /nfs/dbraw/zinc/92/89/96/1117928996.db2.gz JNHFUIKRORIERT-MRXNPFEDSA-N 1 0 360.385 4.137 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](n4cccn4)C3)o2)c(Cl)c1 ZINC000463038119 1117931768 /nfs/dbraw/zinc/93/17/68/1117931768.db2.gz XGIPVUSGBQEQJE-AWEZNQCLSA-N 1 0 372.812 4.152 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000540780435 1118243000 /nfs/dbraw/zinc/24/30/00/1118243000.db2.gz ZSKMPIXNTYHNAG-BHYGNILZSA-N 1 0 350.459 4.238 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000540780437 1118243411 /nfs/dbraw/zinc/24/34/11/1118243411.db2.gz ZSKMPIXNTYHNAG-USXIJHARSA-N 1 0 350.459 4.238 20 5 FIBDRO CC(C)(C)Oc1cc(N2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000443433262 1118335246 /nfs/dbraw/zinc/33/52/46/1118335246.db2.gz BCUUSNHMSIDXDP-UHFFFAOYSA-N 1 0 361.486 4.227 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC001168437556 1118446462 /nfs/dbraw/zinc/44/64/62/1118446462.db2.gz LHJYLJSSVGRTEL-CQSZACIVSA-N 1 0 373.384 4.412 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCCc2ccccn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541565905 1118557216 /nfs/dbraw/zinc/55/72/16/1118557216.db2.gz JKJRCQVAWDXLHS-OAQYLSRUSA-N 1 0 365.433 4.457 20 5 FIBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000541626458 1118586867 /nfs/dbraw/zinc/58/68/67/1118586867.db2.gz YWFLUAGDWLRPNI-MFKMUULPSA-N 1 0 367.858 4.378 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000541761983 1118634579 /nfs/dbraw/zinc/63/45/79/1118634579.db2.gz FHRDKQJSUDGCKG-YJBOKZPZSA-N 1 0 364.804 4.397 20 5 FIBDRO COc1ccc(OCC[N@@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)c([N+](=O)[O-])c1 ZINC000464727287 1118674280 /nfs/dbraw/zinc/67/42/80/1118674280.db2.gz VFZXZPRKYLSQRZ-KBXCAEBGSA-N 1 0 374.412 4.204 20 5 FIBDRO CC[C@]1(C)CCC[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000464774833 1118690155 /nfs/dbraw/zinc/69/01/55/1118690155.db2.gz KQSWCOUGWGYULD-QGZVFWFLSA-N 1 0 358.385 4.217 20 5 FIBDRO CC(C)Oc1ccccc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464780892 1118692039 /nfs/dbraw/zinc/69/20/39/1118692039.db2.gz YATDKCFEURNFOI-UHFFFAOYSA-N 1 0 370.449 4.425 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000464857598 1118725848 /nfs/dbraw/zinc/72/58/48/1118725848.db2.gz KRAXZGGXAPBMOK-KSSFIOAISA-N 1 0 371.437 4.298 20 5 FIBDRO CC(C)C[NH+]1CCC(N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000491341925 1118925187 /nfs/dbraw/zinc/92/51/87/1118925187.db2.gz GNBDJYJFWROXII-JOCHJYFZSA-N 1 0 367.493 4.394 20 5 FIBDRO CCOc1cc(C[NH2+][C@H](c2ccc(OC)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000492580528 1119135806 /nfs/dbraw/zinc/13/58/06/1119135806.db2.gz DYZLPTCWKHERPP-FQEVSTJZSA-N 1 0 356.422 4.243 20 5 FIBDRO CCOc1cc(C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)ccc1[N+](=O)[O-] ZINC000492747305 1119178084 /nfs/dbraw/zinc/17/80/84/1119178084.db2.gz LBUXEZUIHDJUEP-HNNXBMFYSA-N 1 0 366.421 4.030 20 5 FIBDRO COc1cc(C[NH2+][C@H](c2ccc(F)cc2F)C(C)C)ccc1[N+](=O)[O-] ZINC000492781081 1119186905 /nfs/dbraw/zinc/18/69/05/1119186905.db2.gz AGINLVDITUBAQI-SFHVURJKSA-N 1 0 350.365 4.369 20 5 FIBDRO CCC(CC)(CCO)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493151593 1119319187 /nfs/dbraw/zinc/31/91/87/1119319187.db2.gz REZADOZKOBTONC-HXUWFJFHSA-N 1 0 356.466 4.463 20 5 FIBDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000493174222 1119330013 /nfs/dbraw/zinc/33/00/13/1119330013.db2.gz ICPLCPJKOQZVNB-JBACZVJFSA-N 1 0 354.450 4.477 20 5 FIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc2c(c1)COC2 ZINC000494465100 1119869695 /nfs/dbraw/zinc/86/96/95/1119869695.db2.gz MMNUORPZEUZKCW-NSHDSACASA-N 1 0 366.339 4.495 20 5 FIBDRO COc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000494515393 1119884424 /nfs/dbraw/zinc/88/44/24/1119884424.db2.gz QAZXRZKAVLLGPX-NSHDSACASA-N 1 0 354.328 4.473 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc(C(F)(F)F)c1 ZINC000494530740 1119894829 /nfs/dbraw/zinc/89/48/29/1119894829.db2.gz XRSXYCMIRRENLQ-IAOVAPTHSA-N 1 0 372.387 4.299 20 5 FIBDRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000190591771 1119942553 /nfs/dbraw/zinc/94/25/53/1119942553.db2.gz NCSHOMMATJLURT-CQSZACIVSA-N 1 0 373.428 4.318 20 5 FIBDRO C[C@@H]1C[C@@H](CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000542489149 1119971656 /nfs/dbraw/zinc/97/16/56/1119971656.db2.gz WXLVIEBRCDTFOH-LLGFUMIMSA-N 1 0 354.450 4.479 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)cc1 ZINC000495038911 1120440709 /nfs/dbraw/zinc/44/07/09/1120440709.db2.gz OZXIPBBNSYCPCT-JXFKEZNVSA-N 1 0 358.413 4.034 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@@H](c3ccccc3)C1)CCC2 ZINC000193292258 1120670692 /nfs/dbraw/zinc/67/06/92/1120670692.db2.gz UUMGJAQFAFLVSW-DUXKGJEZSA-N 1 0 352.434 4.482 20 5 FIBDRO CC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)s1 ZINC000542558037 1120831263 /nfs/dbraw/zinc/83/12/63/1120831263.db2.gz XTYQNEVNLKDHBC-LBPRGKRZSA-N 1 0 367.858 4.298 20 5 FIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cncc(Br)c1 ZINC000193506684 1120935701 /nfs/dbraw/zinc/93/57/01/1120935701.db2.gz VORIAUXEZIABIC-UHFFFAOYSA-N 1 0 364.243 4.163 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000153611979 1120949615 /nfs/dbraw/zinc/94/96/15/1120949615.db2.gz BZNOQCZQMZTMJS-KRWDZBQOSA-N 1 0 354.450 4.302 20 5 FIBDRO Cc1cc(Br)cc2c1[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000491813591 1120958138 /nfs/dbraw/zinc/95/81/38/1120958138.db2.gz LWVHUUATWBZJIW-MRXNPFEDSA-N 1 0 361.239 4.443 20 5 FIBDRO C[C@H]([NH2+]C(C)(C)c1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000542569694 1120959877 /nfs/dbraw/zinc/95/98/77/1120959877.db2.gz RDKRZOINTYVEAE-JTQLQIEISA-N 1 0 367.858 4.162 20 5 FIBDRO O=[N+]([O-])c1ccc(NC[C@H](c2cccs2)[NH+]2CCCC2)c2ncccc12 ZINC000301083962 1120987885 /nfs/dbraw/zinc/98/78/85/1120987885.db2.gz PEWIDXAUDJXNLV-QGZVFWFLSA-N 1 0 368.462 4.454 20 5 FIBDRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000090620631 1121073181 /nfs/dbraw/zinc/07/31/81/1121073181.db2.gz LXJFQEFHLIAWEN-CQSZACIVSA-N 1 0 369.421 4.055 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccccc1Cl ZINC000026227452 1121082045 /nfs/dbraw/zinc/08/20/45/1121082045.db2.gz DWBHSPDHYPZSSA-CYBMUJFWSA-N 1 0 361.829 4.236 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000090656825 1121102297 /nfs/dbraw/zinc/10/22/97/1121102297.db2.gz XYKDYLMCYXMZDE-LPHOPBHVSA-N 1 0 356.466 4.356 20 5 FIBDRO Cc1cc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)ncc1[N+](=O)[O-] ZINC000301432594 1121154689 /nfs/dbraw/zinc/15/46/89/1121154689.db2.gz PQCMMPPSAJBEAC-UHFFFAOYSA-N 1 0 360.845 4.028 20 5 FIBDRO CC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000301430587 1121154741 /nfs/dbraw/zinc/15/47/41/1121154741.db2.gz QIBGGKIAOYWZQY-HNAYVOBHSA-N 1 0 373.478 4.354 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c2ccncc21 ZINC000301186567 1121763502 /nfs/dbraw/zinc/76/35/02/1121763502.db2.gz JYWBECHEMWGPTI-QGZVFWFLSA-N 1 0 368.481 4.235 20 5 FIBDRO CC(C)n1cc2c(n1)[C@@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CCC2 ZINC000765812311 1122101384 /nfs/dbraw/zinc/10/13/84/1122101384.db2.gz AHOMLQAFEUTJMZ-RBUKOAKNSA-N 1 0 368.481 4.361 20 5 FIBDRO C[C@@](O)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1Cl ZINC000765813241 1122102635 /nfs/dbraw/zinc/10/26/35/1122102635.db2.gz ZVAFMHFMBXOVFC-UYAOXDASSA-N 1 0 374.868 4.067 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000765818059 1122136964 /nfs/dbraw/zinc/13/69/64/1122136964.db2.gz QQXYAZNQJZWVMW-IFXJQAMLSA-N 1 0 362.857 4.067 20 5 FIBDRO O=[N+]([O-])c1ccc2nc(NC3CCC([NH+]4CCCCC4)CC3)ccc2c1 ZINC000301539708 1122208674 /nfs/dbraw/zinc/20/86/74/1122208674.db2.gz NAFGUEJLIKFSBV-UHFFFAOYSA-N 1 0 354.454 4.352 20 5 FIBDRO CC(=O)c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301542072 1122219365 /nfs/dbraw/zinc/21/93/65/1122219365.db2.gz NTIJRJMAFFYNPZ-KXBFYZLASA-N 1 0 367.449 4.262 20 5 FIBDRO COc1ccc(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000273411199 1122254844 /nfs/dbraw/zinc/25/48/44/1122254844.db2.gz IIGGXFAZOKPLHQ-XLIONFOSSA-N 1 0 374.412 4.095 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000542691646 1122286968 /nfs/dbraw/zinc/28/69/68/1122286968.db2.gz UDGPSYNHUFKRTN-XLIONFOSSA-N 1 0 374.412 4.143 20 5 FIBDRO COc1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]2CCCO2)c1 ZINC000542702432 1122301407 /nfs/dbraw/zinc/30/14/07/1122301407.db2.gz WLROQECPARYDJY-OAQYLSRUSA-N 1 0 370.449 4.093 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000556218364 1122747386 /nfs/dbraw/zinc/74/73/86/1122747386.db2.gz RXUYZTJQKWVAHQ-GFCCVEGCSA-N 1 0 353.344 4.210 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H](O)C(F)(F)F ZINC000498380726 1122761313 /nfs/dbraw/zinc/76/13/13/1122761313.db2.gz NDGPOPCWGKYLFK-HIFRSBDPSA-N 1 0 374.384 4.115 20 5 FIBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000194931150 1123018427 /nfs/dbraw/zinc/01/84/27/1123018427.db2.gz RHDJLHZBYJCIRO-LJQANCHMSA-N 1 0 359.426 4.031 20 5 FIBDRO CCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CCCCC1 ZINC000498814957 1123030810 /nfs/dbraw/zinc/03/08/10/1123030810.db2.gz DSIUHZGIUNQEEL-UHFFFAOYSA-N 1 0 358.442 4.437 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@H]1OC ZINC000556879471 1123165690 /nfs/dbraw/zinc/16/56/90/1123165690.db2.gz DLSVVRPXHGLUIH-LDQXTDLNSA-N 1 0 370.449 4.044 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(C3CCOCC3)CC2)o1 ZINC000556926622 1123227937 /nfs/dbraw/zinc/22/79/37/1123227937.db2.gz HNURFCLSYYVWNN-UHFFFAOYSA-N 1 0 370.449 4.493 20 5 FIBDRO O=[N+]([O-])c1c(F)cccc1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000919962142 1123287014 /nfs/dbraw/zinc/28/70/14/1123287014.db2.gz KHXBVTKZSYXJBO-UHFFFAOYSA-N 1 0 363.820 4.464 20 5 FIBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000920011317 1123307846 /nfs/dbraw/zinc/30/78/46/1123307846.db2.gz RQTVQEPVGTZZDX-UHFFFAOYSA-N 1 0 373.840 4.139 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C(C)(C)c1ccc(C(C)C)cc1 ZINC000609358338 1123688257 /nfs/dbraw/zinc/68/82/57/1123688257.db2.gz CRYKLNLTGCNRKX-UHFFFAOYSA-N 1 0 369.465 4.490 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCCc2cccc(F)c2)c1 ZINC000609466525 1123722092 /nfs/dbraw/zinc/72/20/92/1123722092.db2.gz ATDSDYVRZNMSQF-UHFFFAOYSA-N 1 0 354.328 4.058 20 5 FIBDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609705247 1123803582 /nfs/dbraw/zinc/80/35/82/1123803582.db2.gz LUDDTWXPIVNZIM-KRWDZBQOSA-N 1 0 360.841 4.464 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(C)(C)O ZINC000609707517 1123803708 /nfs/dbraw/zinc/80/37/08/1123803708.db2.gz YIYGLUOEHVNIDV-GFCCVEGCSA-N 1 0 364.829 4.290 20 5 FIBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000610001989 1123913228 /nfs/dbraw/zinc/91/32/28/1123913228.db2.gz ROEIIVKIJFVSAX-JKSUJKDBSA-N 1 0 368.433 4.148 20 5 FIBDRO CCC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000610133382 1123950200 /nfs/dbraw/zinc/95/02/00/1123950200.db2.gz LSIDWHKNGZJGKI-USXIJHARSA-N 1 0 352.862 4.274 20 5 FIBDRO C[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000237573565 1123987043 /nfs/dbraw/zinc/98/70/43/1123987043.db2.gz QOBBJNRDNFQZPX-QAPCUYQASA-N 1 0 373.884 4.391 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000615724151 1124108565 /nfs/dbraw/zinc/10/85/65/1124108565.db2.gz NJLIGQFKINUDKL-RKCSUWQLSA-N 1 0 373.403 4.145 20 5 FIBDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000615723984 1124108689 /nfs/dbraw/zinc/10/86/89/1124108689.db2.gz HCYFRNSDUBATAZ-ATEOEAFZSA-N 1 0 354.406 4.120 20 5 FIBDRO COc1ccc2c(c1)OCC[C@H]2[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000615723998 1124108826 /nfs/dbraw/zinc/10/88/26/1124108826.db2.gz HCYFRNSDUBATAZ-NRJHKNTJSA-N 1 0 354.406 4.120 20 5 FIBDRO COc1ccc2oc([C@@H](C)[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)c(C)c2c1 ZINC000765850383 1124204694 /nfs/dbraw/zinc/20/46/94/1124204694.db2.gz YAAVJOVBHLMEFV-FZKQIMNGSA-N 1 0 370.405 4.042 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)s1 ZINC000237962803 1124208262 /nfs/dbraw/zinc/20/82/62/1124208262.db2.gz KSWUPWNCCFNZLB-UHFFFAOYSA-N 1 0 368.414 4.342 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000765884138 1124327410 /nfs/dbraw/zinc/32/74/10/1124327410.db2.gz XNSANZPICIVJRQ-VFNWGFHPSA-N 1 0 350.418 4.441 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000765884136 1124327671 /nfs/dbraw/zinc/32/76/71/1124327671.db2.gz XNSANZPICIVJRQ-BTYIYWSLSA-N 1 0 350.418 4.441 20 5 FIBDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180692540 1124405346 /nfs/dbraw/zinc/40/53/46/1124405346.db2.gz KIVZKSDGFQNFNT-SJORKVTESA-N 1 0 368.355 4.388 20 5 FIBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001203221694 1124450482 /nfs/dbraw/zinc/45/04/82/1124450482.db2.gz GLMGDNNDQNGRIO-QMMMGPOBSA-N 1 0 368.058 4.031 20 5 FIBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001128131849 1124464150 /nfs/dbraw/zinc/46/41/50/1124464150.db2.gz OULJLWGZNWACAG-UHFFFAOYSA-N 1 0 367.877 4.023 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000542946063 1124946069 /nfs/dbraw/zinc/94/60/69/1124946069.db2.gz CPFASZZGWBOFRK-STQMWFEESA-N 1 0 368.359 4.208 20 5 FIBDRO Cc1c(C[NH2+][C@H](CC(=O)OC(C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000181838727 1125153737 /nfs/dbraw/zinc/15/37/37/1125153737.db2.gz FOJMLHHJUQQOBQ-GOSISDBHSA-N 1 0 356.422 4.076 20 5 FIBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113335928 1125154465 /nfs/dbraw/zinc/15/44/65/1125154465.db2.gz OZKDKBWLEKQCBQ-ZDUSSCGKSA-N 1 0 369.446 4.145 20 5 FIBDRO NC(=O)c1ccc(C[NH2+][C@H](CC2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181940125 1125188366 /nfs/dbraw/zinc/18/83/66/1125188366.db2.gz KMXGRMYZPYISNR-LJQANCHMSA-N 1 0 367.449 4.105 20 5 FIBDRO C[C@H]1C[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301740799 1125189564 /nfs/dbraw/zinc/18/95/64/1125189564.db2.gz KQQNUODPIQCBJE-BBRMVZONSA-N 1 0 360.845 4.108 20 5 FIBDRO COc1ccc2[nH]cc(CC[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)c2c1 ZINC000618568152 1125207477 /nfs/dbraw/zinc/20/74/77/1125207477.db2.gz PGXVLPDRFFZGSB-FQEVSTJZSA-N 1 0 365.433 4.294 20 5 FIBDRO CC(C)(C)Oc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000618574032 1125213224 /nfs/dbraw/zinc/21/32/24/1125213224.db2.gz SDMHNELCUKTSMG-MSOLQXFVSA-N 1 0 372.469 4.242 20 5 FIBDRO CCSc1ccc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182126546 1125257603 /nfs/dbraw/zinc/25/76/03/1125257603.db2.gz FBKBZTZWYLIXTK-CQSZACIVSA-N 1 0 373.478 4.020 20 5 FIBDRO Cc1cccn2cc(CC[NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)nc12 ZINC000618984865 1125410866 /nfs/dbraw/zinc/41/08/66/1125410866.db2.gz BJWPMASLTBUIDK-IBGZPJMESA-N 1 0 364.449 4.106 20 5 FIBDRO CC(C)[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccnn1C ZINC000618988308 1125423355 /nfs/dbraw/zinc/42/33/55/1125423355.db2.gz NZYFXECNTRTEQU-WMZOPIPTSA-N 1 0 356.470 4.080 20 5 FIBDRO CC(C)(C)OC(=O)CCCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618988481 1125423628 /nfs/dbraw/zinc/42/36/28/1125423628.db2.gz UHAJEABLJVXXKC-KRWDZBQOSA-N 1 0 362.470 4.419 20 5 FIBDRO CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000517900736 567828969 /nfs/dbraw/zinc/82/89/69/567828969.db2.gz VAOCCPZATYKCRX-XLIONFOSSA-N 1 0 353.466 4.252 20 5 FIBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000481426823 567924614 /nfs/dbraw/zinc/92/46/14/567924614.db2.gz OIGNLSUBJMVNDS-DIFFPNOSSA-N 1 0 352.793 4.253 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)COc2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000481542359 568028867 /nfs/dbraw/zinc/02/88/67/568028867.db2.gz IVRBRXQILYOZND-DGCLKSJQSA-N 1 0 350.365 4.300 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@H]1OC ZINC000568543350 568048796 /nfs/dbraw/zinc/04/87/96/568048796.db2.gz QULULNCYXKVHPB-OZOXKJRCSA-N 1 0 370.449 4.044 20 5 FIBDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568651201 568107006 /nfs/dbraw/zinc/10/70/06/568107006.db2.gz OEOXDFHCEKSKNV-PXNSSMCTSA-N 1 0 354.450 4.210 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCc3sc(Cl)cc32)n1 ZINC000568757851 568181890 /nfs/dbraw/zinc/18/18/90/568181890.db2.gz HNHAGFIDWRJBOL-FRRDWIJNSA-N 1 0 366.874 4.267 20 5 FIBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)c1ccco1 ZINC000482050110 568239374 /nfs/dbraw/zinc/23/93/74/568239374.db2.gz OZNICYHPLIDITG-ZBFHGGJFSA-N 1 0 374.441 4.056 20 5 FIBDRO O=C(CC[N@@H+]1CC2(CCC2)[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000453029749 568255597 /nfs/dbraw/zinc/25/55/97/568255597.db2.gz XUVGUOYASGMEGA-HXUWFJFHSA-N 1 0 365.433 4.151 20 5 FIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)Cc2cccnc2)cc1OC ZINC000541985671 568305426 /nfs/dbraw/zinc/30/54/26/568305426.db2.gz HOUDBBYXSVEGGI-OAHLLOKOSA-N 1 0 373.453 4.055 20 5 FIBDRO CCC(CC)(CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236909625 568387299 /nfs/dbraw/zinc/38/72/99/568387299.db2.gz OIKZKOFWSKDZLH-UHFFFAOYSA-N 1 0 352.818 4.149 20 5 FIBDRO CC(C)(C)C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000570062367 568443121 /nfs/dbraw/zinc/44/31/21/568443121.db2.gz WVUWDOVGPIULCI-QUCCMNQESA-N 1 0 372.465 4.102 20 5 FIBDRO Cc1c([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cnn1-c1ccc(F)cc1 ZINC000182998581 1125713113 /nfs/dbraw/zinc/71/31/13/1125713113.db2.gz MTPXUBFDRJNHOG-AWEZNQCLSA-N 1 0 368.412 4.387 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2ccsc2)CC1 ZINC000186927882 1079742675 /nfs/dbraw/zinc/74/26/75/1079742675.db2.gz USCOJTCORFNJQG-UHFFFAOYSA-N 1 0 373.478 4.173 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186943014 1079747563 /nfs/dbraw/zinc/74/75/63/1079747563.db2.gz ZNDPMNJTCFEESC-INIZCTEOSA-N 1 0 372.440 4.173 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000430206585 1079934285 /nfs/dbraw/zinc/93/42/85/1079934285.db2.gz XAXSIQITFMCAPA-KRWDZBQOSA-N 1 0 367.405 4.472 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000430206586 1079934454 /nfs/dbraw/zinc/93/44/54/1079934454.db2.gz XAXSIQITFMCAPA-QGZVFWFLSA-N 1 0 367.405 4.472 20 5 FIBDRO CN(C)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCC1 ZINC000608835642 1079935479 /nfs/dbraw/zinc/93/54/79/1079935479.db2.gz IMJREZZJTDEAPN-UHFFFAOYSA-N 1 0 359.495 4.287 20 5 FIBDRO CC[NH+](CC)CCOc1ccc(CNc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000510095861 1079990172 /nfs/dbraw/zinc/99/01/72/1079990172.db2.gz TVPZQRWAKSRHPQ-UHFFFAOYSA-N 1 0 357.454 4.236 20 5 FIBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000608973705 1080240147 /nfs/dbraw/zinc/24/01/47/1080240147.db2.gz FGDZQDQBSQKJLV-UHFFFAOYSA-N 1 0 364.449 4.231 20 5 FIBDRO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001167094640 1080340534 /nfs/dbraw/zinc/34/05/34/1080340534.db2.gz XHLAHNRZUKPINI-INIZCTEOSA-N 1 0 360.841 4.464 20 5 FIBDRO CC1CC[NH+](CCc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC001266351788 1080455929 /nfs/dbraw/zinc/45/59/29/1080455929.db2.gz ZPZCOJHGSGSRMF-UHFFFAOYSA-N 1 0 367.449 4.122 20 5 FIBDRO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000247027279 1080710240 /nfs/dbraw/zinc/71/02/40/1080710240.db2.gz MDOYKFVAZBFHOF-URLQWDBASA-N 1 0 359.495 4.390 20 5 FIBDRO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1OC ZINC001167216963 1080858679 /nfs/dbraw/zinc/85/86/79/1080858679.db2.gz CJXYQBJNVDQFIE-INIZCTEOSA-N 1 0 358.438 4.455 20 5 FIBDRO CC[C@@H](C)[N@H+](CCc1ccccc1F)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001167244069 1080901782 /nfs/dbraw/zinc/90/17/82/1080901782.db2.gz FJYIHZFTANGGGT-QRWLVFNGSA-N 1 0 360.429 4.111 20 5 FIBDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C2CC2)cn1 ZINC000599019491 1081078179 /nfs/dbraw/zinc/07/81/79/1081078179.db2.gz DYCLKWJTHRFECT-FQEVSTJZSA-N 1 0 355.438 4.363 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H]3CCC[C@H]3c3ccccc3)n2)c1 ZINC000133961997 1081102037 /nfs/dbraw/zinc/10/20/37/1081102037.db2.gz NXIIZVLPMBWBHL-ZWKOTPCHSA-N 1 0 364.405 4.071 20 5 FIBDRO C[C@H]1C[C@H](C)C[NH+](CCCNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001648813804 1081215231 /nfs/dbraw/zinc/21/52/31/1081215231.db2.gz AHAPVBYMWZVXPH-IRXDYDNUSA-N 1 0 371.481 4.312 20 5 FIBDRO COc1ccccc1C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000185878411 1081295028 /nfs/dbraw/zinc/29/50/28/1081295028.db2.gz ZHSUBXOTDJLRKA-INIZCTEOSA-N 1 0 369.421 4.102 20 5 FIBDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000610341776 1081496835 /nfs/dbraw/zinc/49/68/35/1081496835.db2.gz XTZCUZKMTIXLKS-CXAGYDPISA-N 1 0 373.840 4.094 20 5 FIBDRO CCC[N@H+](CC)Cc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC001125418023 1081571329 /nfs/dbraw/zinc/57/13/29/1081571329.db2.gz HPLMJMHGFLIHOI-UHFFFAOYSA-N 1 0 356.422 4.184 20 5 FIBDRO CC(=O)c1cc(N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000561155152 1082078995 /nfs/dbraw/zinc/07/89/95/1082078995.db2.gz XWEHMOVJMLZWNT-KSSFIOAISA-N 1 0 353.422 4.045 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000156716492 1082241017 /nfs/dbraw/zinc/24/10/17/1082241017.db2.gz TWEHYHWBPHUPOC-JKSUJKDBSA-N 1 0 367.449 4.442 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000581143518 1082341385 /nfs/dbraw/zinc/34/13/85/1082341385.db2.gz WJSDJRYBMTWUDI-GOSISDBHSA-N 1 0 367.380 4.209 20 5 FIBDRO CCC[N@H+](CCc1ccccn1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000581397272 1082523709 /nfs/dbraw/zinc/52/37/09/1082523709.db2.gz NYUVUTCCALLHIA-UHFFFAOYSA-N 1 0 365.380 4.046 20 5 FIBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132287 1082734595 /nfs/dbraw/zinc/73/45/95/1082734595.db2.gz XMOVFQAGRCKMHI-GHTZIAJQSA-N 1 0 370.449 4.073 20 5 FIBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132288 1082735262 /nfs/dbraw/zinc/73/52/62/1082735262.db2.gz XMOVFQAGRCKMHI-WIYYLYMNSA-N 1 0 370.449 4.073 20 5 FIBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132002 1082735489 /nfs/dbraw/zinc/73/54/89/1082735489.db2.gz HXOQFKNHUNIWON-WIYYLYMNSA-N 1 0 370.449 4.073 20 5 FIBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccco1 ZINC000477188408 1082743789 /nfs/dbraw/zinc/74/37/89/1082743789.db2.gz NEHQFZSOPXTWBN-UKRRQHHQSA-N 1 0 374.441 4.056 20 5 FIBDRO COc1ccc(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1F ZINC000477269438 1082772366 /nfs/dbraw/zinc/77/23/66/1082772366.db2.gz QHZLVBKTNVCIJN-UHFFFAOYSA-N 1 0 370.380 4.335 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)SCC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000160990566 1082777821 /nfs/dbraw/zinc/77/78/21/1082777821.db2.gz AKGLJZZCODUXPZ-HNNXBMFYSA-N 1 0 367.515 4.082 20 5 FIBDRO COc1ccccc1N1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000178230059 1082992695 /nfs/dbraw/zinc/99/26/95/1082992695.db2.gz XLHHGRSCSUOOPG-MRXNPFEDSA-N 1 0 369.465 4.231 20 5 FIBDRO CC(C)([NH2+]Cc1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1 ZINC000175985478 1083035415 /nfs/dbraw/zinc/03/54/15/1083035415.db2.gz QBBNWWFCXHHWEN-UHFFFAOYSA-N 1 0 355.257 4.444 20 5 FIBDRO CC(C)(NCc1csc(-c2ccccn2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000175984847 1083037891 /nfs/dbraw/zinc/03/78/91/1083037891.db2.gz RHRUNQCEFFOGSH-UHFFFAOYSA-N 1 0 354.435 4.138 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)C1CC1 ZINC000430740407 1083143153 /nfs/dbraw/zinc/14/31/53/1083143153.db2.gz BPXBGQWCDWIGRH-OAHLLOKOSA-N 1 0 368.330 4.262 20 5 FIBDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581561 1083207299 /nfs/dbraw/zinc/20/72/99/1083207299.db2.gz SRXLOHBYTYSRCO-SFHVURJKSA-N 1 0 367.405 4.254 20 5 FIBDRO C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1cccc(F)c1 ZINC000610582289 1083212812 /nfs/dbraw/zinc/21/28/12/1083212812.db2.gz BMMGTKLCKQXPQU-BUXKBTBVSA-N 1 0 355.369 4.458 20 5 FIBDRO CC1(c2ccccc2)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000510812215 1083324345 /nfs/dbraw/zinc/32/43/45/1083324345.db2.gz FJSXBPCPTAVJQA-UHFFFAOYSA-N 1 0 351.406 4.290 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCC([C@H]4CCCO4)CC3)cs2)c1 ZINC000188252981 1083388787 /nfs/dbraw/zinc/38/87/87/1083388787.db2.gz SKUHBAZQWGVKSY-GOSISDBHSA-N 1 0 373.478 4.109 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCCOC(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000510935887 1083510198 /nfs/dbraw/zinc/51/01/98/1083510198.db2.gz USNPUJFQGIDGEU-MRXNPFEDSA-N 1 0 354.353 4.059 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCC(F)(F)C3)o2)c([N+](=O)[O-])c1 ZINC000610787848 1083510532 /nfs/dbraw/zinc/51/05/32/1083510532.db2.gz YZKAOSKGWSRRQK-NSHDSACASA-N 1 0 352.337 4.141 20 5 FIBDRO CC(C)Oc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000179535318 1083558390 /nfs/dbraw/zinc/55/83/90/1083558390.db2.gz QLDHYYFZZKJEJT-HNNXBMFYSA-N 1 0 371.437 4.061 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000610813072 1083737434 /nfs/dbraw/zinc/73/74/34/1083737434.db2.gz YBUSWLWABYEPEE-ZFWWWQNUSA-N 1 0 361.392 4.111 20 5 FIBDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610824540 1083744183 /nfs/dbraw/zinc/74/41/83/1083744183.db2.gz IXJVLGRKOPKYIC-OALUTQOASA-N 1 0 368.433 4.038 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](Cc1nccn1C)c1ccccc1 ZINC000610828108 1083745154 /nfs/dbraw/zinc/74/51/54/1083745154.db2.gz KNLDZYKFAZPAGN-OXQOHEQNSA-N 1 0 364.449 4.271 20 5 FIBDRO CCC[C@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000610818817 1083747698 /nfs/dbraw/zinc/74/76/98/1083747698.db2.gz XZLJGZZSQVOXGT-WBMJQRKESA-N 1 0 354.410 4.369 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CCc2nc(C)cs2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612407798 1083775928 /nfs/dbraw/zinc/77/59/28/1083775928.db2.gz MPUQRTLYJMFWMJ-IBGZPJMESA-N 1 0 371.462 4.437 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC([C@@H]4CCOC4)CC3)o2)c1 ZINC000612402069 1083776910 /nfs/dbraw/zinc/77/69/10/1083776910.db2.gz BROSGQUQJYOIHV-QGZVFWFLSA-N 1 0 356.422 4.103 20 5 FIBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001125796134 1083845597 /nfs/dbraw/zinc/84/55/97/1083845597.db2.gz MBXBFXPXZJKFSJ-UHFFFAOYSA-N 1 0 373.840 4.486 20 5 FIBDRO CC(C)(CO)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000610916159 1083848722 /nfs/dbraw/zinc/84/87/22/1083848722.db2.gz MFXFYPAPQIQRIE-UHFFFAOYSA-N 1 0 364.829 4.149 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000065208679 1083892520 /nfs/dbraw/zinc/89/25/20/1083892520.db2.gz VTANZIOJIBISMS-KRWDZBQOSA-N 1 0 369.446 4.420 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)o1 ZINC000136710499 1083902961 /nfs/dbraw/zinc/90/29/61/1083902961.db2.gz BBTJWHONDDLNSA-OAHLLOKOSA-N 1 0 356.422 4.436 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(C)cc1OCCOC)c1cccc([N+](=O)[O-])c1 ZINC000167646555 1083935194 /nfs/dbraw/zinc/93/51/94/1083935194.db2.gz PVKPNBFOJKCZJG-IBGZPJMESA-N 1 0 358.438 4.169 20 5 FIBDRO CN(C)[C@@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000179980835 1083948305 /nfs/dbraw/zinc/94/83/05/1083948305.db2.gz WRUKZWVKSMEMMY-FPOVZHCZSA-N 1 0 365.433 4.170 20 5 FIBDRO CN(C)[C@@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000179980864 1083948431 /nfs/dbraw/zinc/94/84/31/1083948431.db2.gz WRUKZWVKSMEMMY-PZJWPPBQSA-N 1 0 365.433 4.170 20 5 FIBDRO CCOc1ccc([C@H](C)N[C@H](C)c2nnc([C@@H](C)CC)[nH]2)cc1[N+](=O)[O-] ZINC000277209536 1084017962 /nfs/dbraw/zinc/01/79/62/1084017962.db2.gz KFABKNATVYOBRF-RWMBFGLXSA-N 1 0 361.446 4.037 20 5 FIBDRO CC(C)[N@H+](Cc1cn(C)nc1-c1cccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000538265238 1084045992 /nfs/dbraw/zinc/04/59/92/1084045992.db2.gz HTOKPBQDXKTKOQ-UHFFFAOYSA-N 1 0 370.478 4.467 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000119606807 1084206076 /nfs/dbraw/zinc/20/60/76/1084206076.db2.gz XIKPMHLKOAHEAV-NSHDSACASA-N 1 0 352.337 4.056 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(F)c(OC)cc32)cc1[N+](=O)[O-] ZINC000511019374 1084214342 /nfs/dbraw/zinc/21/43/42/1084214342.db2.gz VOWVWLSOFLBARZ-PXAZEXFGSA-N 1 0 374.412 4.479 20 5 FIBDRO CC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000071872401 1084215657 /nfs/dbraw/zinc/21/56/57/1084215657.db2.gz ISUBSWIARKGDIA-UHFFFAOYSA-N 1 0 358.385 4.359 20 5 FIBDRO COc1cc(C)c([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000579971525 1084309157 /nfs/dbraw/zinc/30/91/57/1084309157.db2.gz DVAMIOIZSKJNTM-DYVFJYSZSA-N 1 0 356.422 4.259 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000539085495 1084313279 /nfs/dbraw/zinc/31/32/79/1084313279.db2.gz XCAVNFYXBJHBQX-UGSOOPFHSA-N 1 0 373.840 4.013 20 5 FIBDRO Cn1nccc1-c1ccccc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000511427554 1084352993 /nfs/dbraw/zinc/35/29/93/1084352993.db2.gz SSFZJXPXBQODLH-UHFFFAOYSA-N 1 0 364.449 4.108 20 5 FIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc2ccc(Cl)cc2n1C ZINC000180094581 1084389930 /nfs/dbraw/zinc/38/99/30/1084389930.db2.gz JJWWXBRGIUCTAE-LBPRGKRZSA-N 1 0 358.829 4.028 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000066403564 1084436548 /nfs/dbraw/zinc/43/65/48/1084436548.db2.gz GAYATINLJOFCNX-UHFFFAOYSA-N 1 0 359.857 4.002 20 5 FIBDRO CC(C)c1ccc([C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000119752725 1084540954 /nfs/dbraw/zinc/54/09/54/1084540954.db2.gz SWSCXFRIYXPCPM-HXUWFJFHSA-N 1 0 369.465 4.304 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)n1 ZINC000581744095 1084578238 /nfs/dbraw/zinc/57/82/38/1084578238.db2.gz DJYDZVRDGDCQSS-KBXIAJHMSA-N 1 0 374.407 4.233 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000581677009 1084583151 /nfs/dbraw/zinc/58/31/51/1084583151.db2.gz NLFXMWZHGWTHQZ-SUMWQHHRSA-N 1 0 356.422 4.340 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1cc2ccccc2o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173270436 1084609755 /nfs/dbraw/zinc/60/97/55/1084609755.db2.gz LDAGKURJUGOKAT-CHWSQXEVSA-N 1 0 353.378 4.019 20 5 FIBDRO C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511073421 1084626720 /nfs/dbraw/zinc/62/67/20/1084626720.db2.gz POYOBPZTDHKFOR-CYBMUJFWSA-N 1 0 350.365 4.432 20 5 FIBDRO CC1(C)C[C@H]([NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000582390257 1084689861 /nfs/dbraw/zinc/68/98/61/1084689861.db2.gz ZMKYBCBOMWJHDO-JAXLGGSGSA-N 1 0 366.461 4.073 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCCc2cccnc2)cc1[N+](=O)[O-] ZINC000414142696 1084692846 /nfs/dbraw/zinc/69/28/46/1084692846.db2.gz JASPRLIDTLEDID-HZPDHXFCSA-N 1 0 357.454 4.451 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2nc3cc(Cl)ccc3s2)c(F)c1 ZINC000478357618 1084943344 /nfs/dbraw/zinc/94/33/44/1084943344.db2.gz QKQOVIYVZZEUHH-UHFFFAOYSA-N 1 0 365.817 4.329 20 5 FIBDRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CC3 ZINC000478510889 1084956871 /nfs/dbraw/zinc/95/68/71/1084956871.db2.gz ZVUXSYKNEAVVOU-OAHLLOKOSA-N 1 0 365.433 4.040 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+][C@H]1CCC[C@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000414298571 1084994281 /nfs/dbraw/zinc/99/42/81/1084994281.db2.gz JCFRTUCBDHHQRS-FGTMMUONSA-N 1 0 356.470 4.222 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000562046055 1085001088 /nfs/dbraw/zinc/00/10/88/1085001088.db2.gz RSPDXGDIAFUPSX-KDOFPFPSSA-N 1 0 362.857 4.283 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)cc1 ZINC001167582039 1085104212 /nfs/dbraw/zinc/10/42/12/1085104212.db2.gz JIJWRYYYUQBDHB-JOCHJYFZSA-N 1 0 366.461 4.344 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000511161762 1085143688 /nfs/dbraw/zinc/14/36/88/1085143688.db2.gz SSZASSSKSGBHAD-UHFFFAOYSA-N 1 0 353.422 4.141 20 5 FIBDRO CC1(C[NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000479416558 1085161496 /nfs/dbraw/zinc/16/14/96/1085161496.db2.gz NQSBPBBMTFTSKX-KRWDZBQOSA-N 1 0 373.840 4.318 20 5 FIBDRO CC(=O)N1CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000375721257 1085251225 /nfs/dbraw/zinc/25/12/25/1085251225.db2.gz VILOGVOMVQCCPG-PMACEKPBSA-N 1 0 365.433 4.060 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4CCC[C@H]43)nc2c1 ZINC000511878141 1085275595 /nfs/dbraw/zinc/27/55/95/1085275595.db2.gz WTBNMVWHEBAPLZ-SQGPQFPESA-N 1 0 362.433 4.239 20 5 FIBDRO CCC(=O)c1ccc(NC[C@H](c2cccc(F)c2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000479848989 1085318488 /nfs/dbraw/zinc/31/84/88/1085318488.db2.gz CSEPNZAULISJKY-GOSISDBHSA-N 1 0 359.401 4.041 20 5 FIBDRO Cc1nc2ccccc2n1CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000480070144 1085408982 /nfs/dbraw/zinc/40/89/82/1085408982.db2.gz MJPBEWPIVZFXMY-OAHLLOKOSA-N 1 0 352.438 4.302 20 5 FIBDRO Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000480070139 1085408996 /nfs/dbraw/zinc/40/89/96/1085408996.db2.gz MJPBEWPIVZFXMY-HNNXBMFYSA-N 1 0 352.438 4.302 20 5 FIBDRO COc1cc(C[NH2+]C(C(C)C)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000611550092 1085469478 /nfs/dbraw/zinc/46/94/78/1085469478.db2.gz STUYRPKCRJDEBP-UHFFFAOYSA-N 1 0 360.401 4.018 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000109092984 1085584480 /nfs/dbraw/zinc/58/44/80/1085584480.db2.gz AUOSMBIKOMOEET-UHFFFAOYSA-N 1 0 371.412 4.036 20 5 FIBDRO C[C@H]([NH2+]C1CCN([C@@H](C)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178656912 1085682500 /nfs/dbraw/zinc/68/25/00/1085682500.db2.gz JHGGDSXWLBDKIP-IRXDYDNUSA-N 1 0 353.466 4.471 20 5 FIBDRO CO[C@H]1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000611984137 1085722051 /nfs/dbraw/zinc/72/20/51/1085722051.db2.gz KNZJRJLEYJEPSG-IBGZPJMESA-N 1 0 369.465 4.364 20 5 FIBDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000582825326 1085779845 /nfs/dbraw/zinc/77/98/45/1085779845.db2.gz SDEDPXIMNJNZOY-SZFUDVHCSA-N 1 0 370.449 4.347 20 5 FIBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000541626907 1085788374 /nfs/dbraw/zinc/78/83/74/1085788374.db2.gz ISNKUJLEEOKQQO-GHMZBOCLSA-N 1 0 367.858 4.378 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000178684993 1085809401 /nfs/dbraw/zinc/80/94/01/1085809401.db2.gz UAIMFBLNVHOTFZ-STQMWFEESA-N 1 0 361.829 4.234 20 5 FIBDRO CSc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178690777 1085816818 /nfs/dbraw/zinc/81/68/18/1085816818.db2.gz VSTHKSDXYHXQPH-ZIAGYGMSSA-N 1 0 373.478 4.303 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC([C@H]4CCOC4)CC3)o2)c1 ZINC000612402068 1085849890 /nfs/dbraw/zinc/84/98/90/1085849890.db2.gz BROSGQUQJYOIHV-KRWDZBQOSA-N 1 0 356.422 4.103 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000112533297 1085938750 /nfs/dbraw/zinc/93/87/50/1085938750.db2.gz FHFHPUBBQXNSBT-NSHDSACASA-N 1 0 354.328 4.473 20 5 FIBDRO Cc1ccnc(N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000709632360 1085989265 /nfs/dbraw/zinc/98/92/65/1085989265.db2.gz LLSNNRUHXKCIHE-GOSISDBHSA-N 1 0 354.454 4.155 20 5 FIBDRO O=[N+]([O-])c1cccc2c(NC3CC[NH+](CC4CCCC4)CC3)ccnc21 ZINC000432317414 1086523645 /nfs/dbraw/zinc/52/36/45/1086523645.db2.gz IKJXPCPIUTUJMO-UHFFFAOYSA-N 1 0 354.454 4.210 20 5 FIBDRO O=[N+]([O-])c1cccc2c(NC[C@H](c3cccs3)[NH+]3CCCC3)ccnc21 ZINC000432336260 1086626493 /nfs/dbraw/zinc/62/64/93/1086626493.db2.gz PIPUFRMBPVEZCZ-QGZVFWFLSA-N 1 0 368.462 4.454 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000106466341 1086647928 /nfs/dbraw/zinc/64/79/28/1086647928.db2.gz BBJLTWTXHKALFN-NSHDSACASA-N 1 0 354.328 4.473 20 5 FIBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000432357398 1086656247 /nfs/dbraw/zinc/65/62/47/1086656247.db2.gz LTJRDXPEWFEYNU-ZBEGNZNMSA-N 1 0 350.802 4.023 20 5 FIBDRO CC(C)C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccn1 ZINC000583404275 1086657227 /nfs/dbraw/zinc/65/72/27/1086657227.db2.gz MPGVYQBUGDPKTO-HXUWFJFHSA-N 1 0 352.438 4.391 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)s1 ZINC000585767896 1086695249 /nfs/dbraw/zinc/69/52/49/1086695249.db2.gz ACPGUCJAFDSFBO-LJQANCHMSA-N 1 0 358.463 4.326 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000583515704 1086761083 /nfs/dbraw/zinc/76/10/83/1086761083.db2.gz PSQXFPLLBBYCEZ-OGHNNQOOSA-N 1 0 361.392 4.330 20 5 FIBDRO C[C@H](c1ccccc1)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000583591223 1086832808 /nfs/dbraw/zinc/83/28/08/1086832808.db2.gz GEYKZVGEYWDPAW-OAHLLOKOSA-N 1 0 367.449 4.200 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCc3ccccn3)s2)cc1 ZINC000178934842 1086856364 /nfs/dbraw/zinc/85/63/64/1086856364.db2.gz SKFFAQBBGSGESZ-UHFFFAOYSA-N 1 0 353.447 4.441 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH+]2CCC3(CCO3)CC2)cc1[N+](=O)[O-] ZINC000548806780 1086932534 /nfs/dbraw/zinc/93/25/34/1086932534.db2.gz HRKUEBLPEQFOJL-UHFFFAOYSA-N 1 0 367.449 4.118 20 5 FIBDRO COc1ccc([C@H](C)[C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000583895525 1087017493 /nfs/dbraw/zinc/01/74/93/1087017493.db2.gz OSOKZEKNSCWNGF-CABCVRRESA-N 1 0 367.449 4.409 20 5 FIBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000708576786 1087594830 /nfs/dbraw/zinc/59/48/30/1087594830.db2.gz INBGQUZVWCOONE-GOEBONIOSA-N 1 0 359.857 4.428 20 5 FIBDRO CC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)cc1 ZINC000024253024 1087625687 /nfs/dbraw/zinc/62/56/87/1087625687.db2.gz BVLRABLXKDMICL-INIZCTEOSA-N 1 0 361.829 4.236 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)o1 ZINC000611983734 1087674462 /nfs/dbraw/zinc/67/44/62/1087674462.db2.gz FOTAFVWVKODIJV-KRWDZBQOSA-N 1 0 363.417 4.314 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000504894196 1087967261 /nfs/dbraw/zinc/96/72/61/1087967261.db2.gz KDOKZWLVDKXMAX-OAHLLOKOSA-N 1 0 365.433 4.435 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1COC ZINC000504895164 1087969158 /nfs/dbraw/zinc/96/91/58/1087969158.db2.gz QXPYISNVZKTVSB-KRWDZBQOSA-N 1 0 360.479 4.402 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000504899675 1087969985 /nfs/dbraw/zinc/96/99/85/1087969985.db2.gz KCQLBHHEVMRBQP-CABCVRRESA-N 1 0 358.438 4.371 20 5 FIBDRO COC(=O)CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000180667769 1088009963 /nfs/dbraw/zinc/00/99/63/1088009963.db2.gz YWXDTONZXYHJNL-YJBOKZPZSA-N 1 0 356.422 4.248 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](CCC(=O)OC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180674978 1088016746 /nfs/dbraw/zinc/01/67/46/1088016746.db2.gz CJOJQZAHROEAEF-MOPGFXCFSA-N 1 0 356.422 4.330 20 5 FIBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180692556 1088024333 /nfs/dbraw/zinc/02/43/33/1088024333.db2.gz KIVZKSDGFQNFNT-DLBZAZTESA-N 1 0 368.355 4.388 20 5 FIBDRO CC(C)C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000180760323 1088059896 /nfs/dbraw/zinc/05/98/96/1088059896.db2.gz JTRCFGQLGMXDFE-IBGZPJMESA-N 1 0 356.422 4.338 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2noc(-c3ccc(C[NH+]4CCCCC4)cc3)n2)c1 ZINC000505031460 1088072982 /nfs/dbraw/zinc/07/29/82/1088072982.db2.gz YOVMSUVSPHKACM-UHFFFAOYSA-N 1 0 364.405 4.298 20 5 FIBDRO C[C@H]1CC[C@]2(CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000541019607 1088220853 /nfs/dbraw/zinc/22/08/53/1088220853.db2.gz FJXIPSFLPBLOTB-YWZLYKJASA-N 1 0 355.438 4.304 20 5 FIBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000181308657 1088300928 /nfs/dbraw/zinc/30/09/28/1088300928.db2.gz BNOYTCKJXHAEFF-WDEREUQCSA-N 1 0 370.375 4.382 20 5 FIBDRO CCOC(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000505313438 1088345984 /nfs/dbraw/zinc/34/59/84/1088345984.db2.gz GKYIRYOFMOSKQL-UHFFFAOYSA-N 1 0 374.462 4.098 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000311295512 1088529358 /nfs/dbraw/zinc/52/93/58/1088529358.db2.gz CLQXPZMFIAUIFD-DZKIICNBSA-N 1 0 363.458 4.033 20 5 FIBDRO C[C@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178645155 1088656069 /nfs/dbraw/zinc/65/60/69/1088656069.db2.gz MQCADVYVWBYGLV-LBPRGKRZSA-N 1 0 354.328 4.387 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000514092673 1088739846 /nfs/dbraw/zinc/73/98/46/1088739846.db2.gz GCSNKFHXDCFUCH-JSFADZTLSA-N 1 0 368.481 4.366 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000514094186 1088742626 /nfs/dbraw/zinc/74/26/26/1088742626.db2.gz MFLVQYAZVVVZKJ-DLVXIWMQSA-N 1 0 368.481 4.366 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)ccc1Oc1ccc(F)cc1 ZINC000414561357 1088813213 /nfs/dbraw/zinc/81/32/13/1088813213.db2.gz BDLMGCRUOUXHLJ-NVXWUHKLSA-N 1 0 374.412 4.167 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H](CO)C3)o2)c(Cl)c1 ZINC000414581236 1088838013 /nfs/dbraw/zinc/83/80/13/1088838013.db2.gz QXRNJYGARFMRTL-QWHCGFSZSA-N 1 0 364.829 4.149 20 5 FIBDRO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000434616225 1088864786 /nfs/dbraw/zinc/86/47/86/1088864786.db2.gz PGCUQLFOHVTZMA-LJQANCHMSA-N 1 0 359.401 4.002 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000181529919 1088924960 /nfs/dbraw/zinc/92/49/60/1088924960.db2.gz UXLQUZYWNYJVDB-ILXRZTDVSA-N 1 0 366.421 4.488 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)c1ccccc1 ZINC000181529899 1088925143 /nfs/dbraw/zinc/92/51/43/1088925143.db2.gz UXLQUZYWNYJVDB-ZNMIVQPWSA-N 1 0 366.421 4.488 20 5 FIBDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000435056113 1089245155 /nfs/dbraw/zinc/24/51/55/1089245155.db2.gz LQFPXQCFBUCPMO-CABCVRRESA-N 1 0 351.406 4.422 20 5 FIBDRO Cn1cc(C[N@@H+]2CCC[C@@H]2C2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511523446 1089285834 /nfs/dbraw/zinc/28/58/34/1089285834.db2.gz NXDLLGXWMYMHFZ-LJQANCHMSA-N 1 0 354.454 4.150 20 5 FIBDRO CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C1(C)C ZINC001167958327 1089401321 /nfs/dbraw/zinc/40/13/21/1089401321.db2.gz HCOOGEMNSXWMDO-ZWKOTPCHSA-N 1 0 350.459 4.019 20 5 FIBDRO CC(C)C[C@@H](CCO)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000236753798 1089457179 /nfs/dbraw/zinc/45/71/79/1089457179.db2.gz PGSLTNHNRSVIMT-OAHLLOKOSA-N 1 0 362.495 4.458 20 5 FIBDRO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c(C[NH+](C)C)c1 ZINC000412111340 1089479854 /nfs/dbraw/zinc/47/98/54/1089479854.db2.gz NRVNEUPCZKZLLZ-UHFFFAOYSA-N 1 0 371.437 4.004 20 5 FIBDRO CC[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000181556695 1089802157 /nfs/dbraw/zinc/80/21/57/1089802157.db2.gz RCLMXJUFWLPHOG-VQTJNVASSA-N 1 0 356.466 4.438 20 5 FIBDRO COc1cc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1OCC(C)C ZINC000101595381 1089806783 /nfs/dbraw/zinc/80/67/83/1089806783.db2.gz XCEFISFKQMACCK-HNNXBMFYSA-N 1 0 358.438 4.489 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000163824390 1089962225 /nfs/dbraw/zinc/96/22/25/1089962225.db2.gz VEOKCGWFJSLVJB-QWHCGFSZSA-N 1 0 356.451 4.469 20 5 FIBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000188120871 1090176233 /nfs/dbraw/zinc/17/62/33/1090176233.db2.gz NAEFOTLSGMKRBN-UHFFFAOYSA-N 1 0 361.489 4.336 20 5 FIBDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072605905 1090269729 /nfs/dbraw/zinc/26/97/29/1090269729.db2.gz DRRWMGOQWBSXMT-HZPDHXFCSA-N 1 0 358.442 4.339 20 5 FIBDRO C[C@H](c1ccccc1)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000500092212 1091033102 /nfs/dbraw/zinc/03/31/02/1091033102.db2.gz VMBAOLGOJJIGAY-OAHLLOKOSA-N 1 0 353.422 4.149 20 5 FIBDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500099846 1091037456 /nfs/dbraw/zinc/03/74/56/1091037456.db2.gz VGBLFXRSFBSNFT-AUUYWEPGSA-N 1 0 371.412 4.146 20 5 FIBDRO CC(C)[C@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500133050 1091059524 /nfs/dbraw/zinc/05/95/24/1091059524.db2.gz OXXRZANIKWOKNO-HXUWFJFHSA-N 1 0 355.438 4.253 20 5 FIBDRO COc1cccc(C2(F)CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000500138963 1091063707 /nfs/dbraw/zinc/06/37/07/1091063707.db2.gz MEZHAHVCSGYHSF-UHFFFAOYSA-N 1 0 358.413 4.107 20 5 FIBDRO CC(C)(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)cc1 ZINC000053644318 1091282104 /nfs/dbraw/zinc/28/21/04/1091282104.db2.gz HKOCSBYHXSWQPI-LJQANCHMSA-N 1 0 374.412 4.477 20 5 FIBDRO CC[NH+](CC)Cc1ccccc1CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000015141654 1091472342 /nfs/dbraw/zinc/47/23/42/1091472342.db2.gz CQOOOIXZRSHDFT-UHFFFAOYSA-N 1 0 355.438 4.251 20 5 FIBDRO CCC1(CC)[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1OC ZINC001167766311 1091600163 /nfs/dbraw/zinc/60/01/63/1091600163.db2.gz KHLSKZFDWZAHKU-MOPGFXCFSA-N 1 0 364.486 4.408 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c(Cl)c1 ZINC000511764957 1091650215 /nfs/dbraw/zinc/65/02/15/1091650215.db2.gz KGZYDFJGWBDDSD-WSTZPKSXSA-N 1 0 372.852 4.253 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000512218909 1091924850 /nfs/dbraw/zinc/92/48/50/1091924850.db2.gz MQULNUSWDXWKQL-KRWDZBQOSA-N 1 0 369.248 4.157 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512236390 1091942158 /nfs/dbraw/zinc/94/21/58/1091942158.db2.gz HFVXGTQQCIHJFQ-GCJKJVERSA-N 1 0 365.477 4.254 20 5 FIBDRO COc1ccc(C[NH2+]CCOc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000520953064 1092379021 /nfs/dbraw/zinc/37/90/21/1092379021.db2.gz PHGZSTXFBIBESC-UHFFFAOYSA-N 1 0 358.438 4.070 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)cc1[N+](=O)[O-] ZINC000438906841 1092522519 /nfs/dbraw/zinc/52/25/19/1092522519.db2.gz HHUVTAHAJMVMHT-OPYAIIAOSA-N 1 0 367.449 4.020 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000549717969 1092716516 /nfs/dbraw/zinc/71/65/16/1092716516.db2.gz NTQQDGPBZMTLSW-CVEARBPZSA-N 1 0 370.371 4.147 20 5 FIBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)c1ccco1 ZINC000521501933 1092737234 /nfs/dbraw/zinc/73/72/34/1092737234.db2.gz MLFPWDKMJYSNFK-SFHVURJKSA-N 1 0 354.410 4.231 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)o2)cc1 ZINC000572807657 1092907290 /nfs/dbraw/zinc/90/72/90/1092907290.db2.gz CIOACHDBUFQVCA-VQTJNVASSA-N 1 0 368.433 4.388 20 5 FIBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000521813560 1092927819 /nfs/dbraw/zinc/92/78/19/1092927819.db2.gz ZIZRCKPJESWDFH-CVEARBPZSA-N 1 0 357.454 4.065 20 5 FIBDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])CCO2 ZINC000614160873 1093018726 /nfs/dbraw/zinc/01/87/26/1093018726.db2.gz ORPVJKITNXCDDA-KXBFYZLASA-N 1 0 370.449 4.428 20 5 FIBDRO CCc1ccc2c(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc(=O)oc2c1 ZINC000178690456 1093056127 /nfs/dbraw/zinc/05/61/27/1093056127.db2.gz BNUSDWFUWKMVCS-CQSZACIVSA-N 1 0 366.417 4.423 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ccc(O)c(F)c2)s1 ZINC000120452711 1093124792 /nfs/dbraw/zinc/12/47/92/1093124792.db2.gz QODFMLCKKBXHBN-UHFFFAOYSA-N 1 0 358.394 4.458 20 5 FIBDRO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000474077977 1093191147 /nfs/dbraw/zinc/19/11/47/1093191147.db2.gz FSHAFXFTFOYICH-MOPGFXCFSA-N 1 0 352.434 4.338 20 5 FIBDRO Cc1cc(C)c(OC(=O)C2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000727297962 1093208069 /nfs/dbraw/zinc/20/80/69/1093208069.db2.gz OSLUYWCWFVXQDC-UHFFFAOYSA-N 1 0 368.433 4.029 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000433102601 1093256938 /nfs/dbraw/zinc/25/69/38/1093256938.db2.gz JEDPPGYITJSCBM-RTBURBONSA-N 1 0 367.493 4.422 20 5 FIBDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000236980055 1093273811 /nfs/dbraw/zinc/27/38/11/1093273811.db2.gz IETOSTLSGSSGTM-UGSOOPFHSA-N 1 0 362.401 4.023 20 5 FIBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCO2 ZINC000433173447 1093372251 /nfs/dbraw/zinc/37/22/51/1093372251.db2.gz KEIKCDOLSRLFPG-PXAZEXFGSA-N 1 0 354.406 4.397 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cc1 ZINC000443662684 1093419904 /nfs/dbraw/zinc/41/99/04/1093419904.db2.gz XJEMDEMSASRWAW-HNNXBMFYSA-N 1 0 369.396 4.297 20 5 FIBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000512873720 1093491177 /nfs/dbraw/zinc/49/11/77/1093491177.db2.gz DVRUXBRMSIEVLH-WBMJQRKESA-N 1 0 362.426 4.367 20 5 FIBDRO CC(C)n1cc2c(n1)C[C@@H]([NH2+][C@@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CC2 ZINC000433291844 1093549477 /nfs/dbraw/zinc/54/94/77/1093549477.db2.gz XNYVWHYEWCLGJE-MGPUTAFESA-N 1 0 368.481 4.242 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]([C@@H](C)c2ccco2)C2CC2)cccc1[N+](=O)[O-] ZINC000086235453 1093894877 /nfs/dbraw/zinc/89/48/77/1093894877.db2.gz FOOIESUQTCFVJA-AWEZNQCLSA-N 1 0 357.410 4.050 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c(O[C@@H]2CCOC2)c1 ZINC000120605239 1093894929 /nfs/dbraw/zinc/89/49/29/1093894929.db2.gz CHERRLKCMBMISW-FUHWJXTLSA-N 1 0 370.449 4.230 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000542946059 1093907626 /nfs/dbraw/zinc/90/76/26/1093907626.db2.gz CPFASZZGWBOFRK-OLZOCXBDSA-N 1 0 368.359 4.208 20 5 FIBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000513292163 1094048397 /nfs/dbraw/zinc/04/83/97/1094048397.db2.gz PCKZIXUCNYOEKL-NSHDSACASA-N 1 0 354.328 4.040 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000182636982 1094156358 /nfs/dbraw/zinc/15/63/58/1094156358.db2.gz MERAFEBKNUAUJC-AWEZNQCLSA-N 1 0 367.405 4.329 20 5 FIBDRO CCN(C[C@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1)CC(F)(F)F ZINC000182823784 1094173072 /nfs/dbraw/zinc/17/30/72/1094173072.db2.gz WRPCSUAIEQHNCS-LSDHHAIUSA-N 1 0 373.419 4.170 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183156807 1094348960 /nfs/dbraw/zinc/34/89/60/1094348960.db2.gz VFHYPKIPMCCVIH-LBPRGKRZSA-N 1 0 368.359 4.208 20 5 FIBDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000474600141 1094401863 /nfs/dbraw/zinc/40/18/63/1094401863.db2.gz UOGZXKLQOYGLQM-KFWWJZLASA-N 1 0 358.438 4.455 20 5 FIBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000501034568 1094458476 /nfs/dbraw/zinc/45/84/76/1094458476.db2.gz CDGDOYDVCOIYLK-KRWDZBQOSA-N 1 0 367.449 4.049 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCC3)o2)c(Br)c1 ZINC000501353566 1094654483 /nfs/dbraw/zinc/65/44/83/1094654483.db2.gz RHIIAAZFTHDCHW-UHFFFAOYSA-N 1 0 351.200 4.259 20 5 FIBDRO CC(C)c1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000185696935 1094728624 /nfs/dbraw/zinc/72/86/24/1094728624.db2.gz ULZGNRCSHRWIOT-UHFFFAOYSA-N 1 0 369.465 4.033 20 5 FIBDRO CSc1ccccc1[C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000501494306 1094738328 /nfs/dbraw/zinc/73/83/28/1094738328.db2.gz HWKOVKKBFGRMSW-CQSZACIVSA-N 1 0 373.478 4.305 20 5 FIBDRO CSc1ccccc1[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000501495650 1094739767 /nfs/dbraw/zinc/73/97/67/1094739767.db2.gz PLTLHFLRLBOWTH-CQSZACIVSA-N 1 0 373.478 4.305 20 5 FIBDRO CC[C@@H](C)[NH2+][C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)c1ccco1 ZINC000413285493 1094863007 /nfs/dbraw/zinc/86/30/07/1094863007.db2.gz XBJOCXNUMPVNFO-MFKMUULPSA-N 1 0 372.347 4.143 20 5 FIBDRO C[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[N@H+](C)C1CC1 ZINC000237409648 1095203462 /nfs/dbraw/zinc/20/34/62/1095203462.db2.gz DCQZYIFEQXKKLH-LBPRGKRZSA-N 1 0 363.845 4.081 20 5 FIBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000183551980 1095519927 /nfs/dbraw/zinc/51/99/27/1095519927.db2.gz XQBJQDDUXYJNCK-AWEZNQCLSA-N 1 0 367.405 4.247 20 5 FIBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000183552287 1095522005 /nfs/dbraw/zinc/52/20/05/1095522005.db2.gz UVODULJUPPLSGM-KBPBESRZSA-N 1 0 367.405 4.327 20 5 FIBDRO C[N@H+](CCNC(=O)c1cc2ccccc2c2cccnc12)Cc1ccccc1 ZINC000509542054 1095744876 /nfs/dbraw/zinc/74/48/76/1095744876.db2.gz LSNCNXCIJLWTOF-UHFFFAOYSA-N 1 0 369.468 4.250 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCCC2(O)CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000421861543 1095961967 /nfs/dbraw/zinc/96/19/67/1095961967.db2.gz ULQSLEPANRVRBT-LJQANCHMSA-N 1 0 358.438 4.124 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000421876790 1095971643 /nfs/dbraw/zinc/97/16/43/1095971643.db2.gz KBVUCCBFXZHWOC-UKRRQHHQSA-N 1 0 350.484 4.177 20 5 FIBDRO COc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC2CC2)c(OC)c1 ZINC000503230983 1096318826 /nfs/dbraw/zinc/31/88/26/1096318826.db2.gz DWYQTJXKORYHIA-UHFFFAOYSA-N 1 0 356.422 4.024 20 5 FIBDRO CCS[C@H]1CCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000503523692 1096450930 /nfs/dbraw/zinc/45/09/30/1096450930.db2.gz QZJKSDOTCAKOJS-RDJZCZTQSA-N 1 0 361.467 4.056 20 5 FIBDRO O=[N+]([O-])c1cc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000423080573 1096567393 /nfs/dbraw/zinc/56/73/93/1096567393.db2.gz BUKOZSCGSAASLZ-BRWVUGGUSA-N 1 0 371.403 4.014 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC12CCOCC2 ZINC000503919173 1096587163 /nfs/dbraw/zinc/58/71/63/1096587163.db2.gz FGMLURLYFLBKNA-QRFRQXIXSA-N 1 0 358.482 4.245 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)cc1[N+](=O)[O-] ZINC000423429853 1096683268 /nfs/dbraw/zinc/68/32/68/1096683268.db2.gz SZJLLGBHHNLIGK-SUMWQHHRSA-N 1 0 355.438 4.438 20 5 FIBDRO Cc1cccc(CN(C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000532920531 1098610503 /nfs/dbraw/zinc/61/05/03/1098610503.db2.gz DAQCPWVXTKXFRQ-ZDUSSCGKSA-N 1 0 361.829 4.016 20 5 FIBDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CCC1 ZINC000532974106 1098659680 /nfs/dbraw/zinc/65/96/80/1098659680.db2.gz QGIAYTICLRECPA-OAHLLOKOSA-N 1 0 367.449 4.057 20 5 FIBDRO Cn1cc(C[N@H+](Cc2cccs2)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130236382 1098825223 /nfs/dbraw/zinc/82/52/23/1098825223.db2.gz BUCXOGVAHZUJFX-UHFFFAOYSA-N 1 0 368.462 4.221 20 5 FIBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CC1CCCCC1 ZINC000533222902 1098887881 /nfs/dbraw/zinc/88/78/81/1098887881.db2.gz AFJTYDVQACQURS-GFCCVEGCSA-N 1 0 353.850 4.087 20 5 FIBDRO O=C(C[NH2+][C@H](c1ccccc1)C1CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000533368133 1098999860 /nfs/dbraw/zinc/99/98/60/1098999860.db2.gz QHGJHEFSPGBHCW-LJQANCHMSA-N 1 0 373.840 4.318 20 5 FIBDRO COC[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CC1 ZINC000533528995 1099131671 /nfs/dbraw/zinc/13/16/71/1099131671.db2.gz QHADVFDTJTYQIV-KRWDZBQOSA-N 1 0 360.385 4.041 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COc2ccccc21 ZINC000516340178 1099385089 /nfs/dbraw/zinc/38/50/89/1099385089.db2.gz LNEZBDHOWPOZTP-LSDHHAIUSA-N 1 0 358.463 4.231 20 5 FIBDRO C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000516814874 1099823894 /nfs/dbraw/zinc/82/38/94/1099823894.db2.gz JAVIPOMJYVCKRC-KBXCAEBGSA-N 1 0 359.495 4.095 20 5 FIBDRO CC[NH+](CC)CCN(Cc1csc([N+](=O)[O-])c1)Cc1cccs1 ZINC000506045294 1099897198 /nfs/dbraw/zinc/89/71/98/1099897198.db2.gz BQALCIUWIJZDED-UHFFFAOYSA-N 1 0 353.513 4.062 20 5 FIBDRO CC[C@H](CCO)[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000516934429 1099942201 /nfs/dbraw/zinc/94/22/01/1099942201.db2.gz VDYDEIXFLCIEHQ-MRXNPFEDSA-N 1 0 360.479 4.305 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@]4(CCCOC4)C3)o2)cc1 ZINC000536659202 1100117655 /nfs/dbraw/zinc/11/76/55/1100117655.db2.gz NGBCXJHUSFLPTO-HXUWFJFHSA-N 1 0 356.422 4.247 20 5 FIBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3c(Cl)oc4ccccc43)C2)nc1 ZINC000536682496 1100149957 /nfs/dbraw/zinc/14/99/57/1100149957.db2.gz RXZQAOAGNHXCQT-LBPRGKRZSA-N 1 0 372.812 4.076 20 5 FIBDRO COC(=O)CCC1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000536673615 1100158160 /nfs/dbraw/zinc/15/81/60/1100158160.db2.gz QPTCXGIFVPSBGY-UHFFFAOYSA-N 1 0 372.421 4.020 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000536833723 1100343259 /nfs/dbraw/zinc/34/32/59/1100343259.db2.gz OREOBBCAQAJXSZ-ACZWYYKOSA-N 1 0 366.461 4.460 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000536838447 1100349302 /nfs/dbraw/zinc/34/93/02/1100349302.db2.gz KMNKCJQMCFBXAY-MRXNPFEDSA-N 1 0 364.449 4.106 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)cccc1[N+](=O)[O-] ZINC000536856337 1100371887 /nfs/dbraw/zinc/37/18/87/1100371887.db2.gz FNMAUQVBVYRCKM-BBRMVZONSA-N 1 0 373.840 4.013 20 5 FIBDRO C[C@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000536874362 1100394665 /nfs/dbraw/zinc/39/46/65/1100394665.db2.gz CTEACJTTYYGAPJ-ZDUSSCGKSA-N 1 0 361.829 4.318 20 5 FIBDRO C[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000506207822 1100597601 /nfs/dbraw/zinc/59/76/01/1100597601.db2.gz SSBFFLVCRDOPOZ-OAHLLOKOSA-N 1 0 362.426 4.464 20 5 FIBDRO CN(C)C1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCC1 ZINC000438339722 1100610764 /nfs/dbraw/zinc/61/07/64/1100610764.db2.gz FIPOHZWGNSZZMT-UHFFFAOYSA-N 1 0 373.428 4.100 20 5 FIBDRO COc1ccc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)cc1[N+](=O)[O-] ZINC000425987655 1100620415 /nfs/dbraw/zinc/62/04/15/1100620415.db2.gz BPIZEQVAJXOFRP-UHFFFAOYSA-N 1 0 358.360 4.348 20 5 FIBDRO Cc1ccc(-c2ccc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)o2)cc1 ZINC000425993677 1100637592 /nfs/dbraw/zinc/63/75/92/1100637592.db2.gz MEKPFODVMPKCNH-UHFFFAOYSA-N 1 0 366.421 4.197 20 5 FIBDRO Cc1ccc(C[NH2+]CCCO[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000506292992 1100797491 /nfs/dbraw/zinc/79/74/91/1100797491.db2.gz QCDIQMNDYQPRBI-NRFANRHFSA-N 1 0 354.450 4.477 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)cc1 ZINC000518342194 1101119655 /nfs/dbraw/zinc/11/96/55/1101119655.db2.gz HBIHYYKYXOKDRG-UHFFFAOYSA-N 1 0 364.405 4.298 20 5 FIBDRO Cc1cccc(C2([NH2+]CC(=O)Nc3c(C)cccc3[N+](=O)[O-])CCCC2)c1 ZINC000506480303 1101136362 /nfs/dbraw/zinc/13/63/62/1101136362.db2.gz LPMRMTJJWDRJKX-UHFFFAOYSA-N 1 0 367.449 4.209 20 5 FIBDRO CC(C)(C)c1nnc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[nH]1 ZINC000459677581 1101314871 /nfs/dbraw/zinc/31/48/71/1101314871.db2.gz NDHKKFJQDZMOIH-UHFFFAOYSA-N 1 0 371.466 4.029 20 5 FIBDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4csc([N+](=O)[O-])c4)C3)nc2c1 ZINC000537019921 1101397679 /nfs/dbraw/zinc/39/76/79/1101397679.db2.gz ZUWJTDKCGCMYCT-CQSZACIVSA-N 1 0 356.451 4.221 20 5 FIBDRO CCC[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1ccccc1 ZINC000537040297 1101417582 /nfs/dbraw/zinc/41/75/82/1101417582.db2.gz RHAFRKQGIWCPQJ-KRWDZBQOSA-N 1 0 369.421 4.024 20 5 FIBDRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1C ZINC000537086654 1101452835 /nfs/dbraw/zinc/45/28/35/1101452835.db2.gz FQSGQUNKKLQOFN-CVEARBPZSA-N 1 0 355.438 4.198 20 5 FIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760158283 1101467489 /nfs/dbraw/zinc/46/74/89/1101467489.db2.gz LVKUQHAIFIKCFQ-SNVBAGLBSA-N 1 0 354.237 4.377 20 5 FIBDRO Cc1cc(C)cc([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000537106039 1101471155 /nfs/dbraw/zinc/47/11/55/1101471155.db2.gz MHKDEHFOWMOUGV-MRXNPFEDSA-N 1 0 355.438 4.199 20 5 FIBDRO O=C(C[NH2+]C1(c2cccc(Cl)c2)CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000537125607 1101471953 /nfs/dbraw/zinc/47/19/53/1101471953.db2.gz VZNFLJJRGMJKLY-UHFFFAOYSA-N 1 0 373.840 4.246 20 5 FIBDRO CSc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000439481969 1101498573 /nfs/dbraw/zinc/49/85/73/1101498573.db2.gz PANXXUMZGDGVKI-CQSZACIVSA-N 1 0 373.478 4.305 20 5 FIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cc2cccc(F)c2o1 ZINC000475726573 1101521415 /nfs/dbraw/zinc/52/14/15/1101521415.db2.gz UPLTWMCYJPPGPF-GFCCVEGCSA-N 1 0 371.368 4.160 20 5 FIBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(Cl)c(N)c(Cl)c1 ZINC000760171255 1101549525 /nfs/dbraw/zinc/54/95/25/1101549525.db2.gz XUGUUSUWBHPNCC-SNVBAGLBSA-N 1 0 354.237 4.377 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCSCc1ccccc1F ZINC000509610629 1101560710 /nfs/dbraw/zinc/56/07/10/1101560710.db2.gz WQJOHSDNJOHIBT-UHFFFAOYSA-N 1 0 364.442 4.156 20 5 FIBDRO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000506617548 1101571069 /nfs/dbraw/zinc/57/10/69/1101571069.db2.gz PCQNLJYAMRKSCU-XQRVVYSFSA-N 1 0 360.417 4.274 20 5 FIBDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537317383 1101650628 /nfs/dbraw/zinc/65/06/28/1101650628.db2.gz IHDNDRSUKVWION-STQMWFEESA-N 1 0 366.845 4.395 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc1)C1CC1 ZINC000537448453 1101791514 /nfs/dbraw/zinc/79/15/14/1101791514.db2.gz DGHPNLOPWDFOCP-UHFFFAOYSA-N 1 0 353.422 4.140 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000506710824 1101863295 /nfs/dbraw/zinc/86/32/95/1101863295.db2.gz JZSFURWFVKYOFY-OPQSBORISA-N 1 0 358.463 4.351 20 5 FIBDRO CC[C@](C)(CCO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000532394977 1101891946 /nfs/dbraw/zinc/89/19/46/1101891946.db2.gz CLRBUSDDEQNATA-LJQANCHMSA-N 1 0 362.401 4.167 20 5 FIBDRO Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)ccc1C[NH+](C)C ZINC001299188920 1102119900 /nfs/dbraw/zinc/11/99/00/1102119900.db2.gz HAVDHRASRSDRAN-UHFFFAOYSA-N 1 0 367.449 4.025 20 5 FIBDRO Cc1ccc(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000237718007 1102121685 /nfs/dbraw/zinc/12/16/85/1102121685.db2.gz FHAAQDIPBFYKLY-UHFFFAOYSA-N 1 0 353.447 4.359 20 5 FIBDRO Cc1ccc(C[NH2+]CCCC(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000237734052 1102131893 /nfs/dbraw/zinc/13/18/93/1102131893.db2.gz XWXRZKVXHSAWPN-UHFFFAOYSA-N 1 0 361.829 4.065 20 5 FIBDRO CC[C@H](O)CC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000532428333 1102310479 /nfs/dbraw/zinc/31/04/79/1102310479.db2.gz QIPYNTQYMANBSC-HNNXBMFYSA-N 1 0 364.829 4.291 20 5 FIBDRO COc1ccc([C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000532460830 1102367513 /nfs/dbraw/zinc/36/75/13/1102367513.db2.gz KNTXMLHGMVVCNW-KKSFZXQISA-N 1 0 369.465 4.091 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cccc2ccccc21 ZINC000532474528 1102398362 /nfs/dbraw/zinc/39/83/62/1102398362.db2.gz QDIZNLNVOZPSHT-UHFFFAOYSA-N 1 0 363.417 4.127 20 5 FIBDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000537647487 1102647954 /nfs/dbraw/zinc/64/79/54/1102647954.db2.gz LYDKQNPXRXQCRX-MRXNPFEDSA-N 1 0 373.522 4.487 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000550894087 1102669699 /nfs/dbraw/zinc/66/96/99/1102669699.db2.gz BAZUXZXIRFMUBD-NSHDSACASA-N 1 0 354.328 4.495 20 5 FIBDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192614868 1102699035 /nfs/dbraw/zinc/69/90/35/1102699035.db2.gz HRHPTNKWKJCHQQ-DJJJIMSYSA-N 1 0 356.422 4.340 20 5 FIBDRO CC(C)c1ccc(C[NH2+]Cc2ccnc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000551268543 1103031898 /nfs/dbraw/zinc/03/18/98/1103031898.db2.gz HBGZHZQQWRONAM-UHFFFAOYSA-N 1 0 351.353 4.004 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCc3ccc(O)cc32)cc(C(F)(F)F)c1 ZINC000551281922 1103039992 /nfs/dbraw/zinc/03/99/92/1103039992.db2.gz LYINXMGCAXUSLJ-KRWDZBQOSA-N 1 0 366.339 4.486 20 5 FIBDRO CCOc1c(Cl)cc(CN(C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000507130963 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CC[NH+](CC)CC1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000530856103 1107361177 /nfs/dbraw/zinc/36/11/77/1107361177.db2.gz WNQSBTLZVRSRRT-UHFFFAOYSA-N 1 0 359.392 4.172 20 5 FIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000452078961 1107460952 /nfs/dbraw/zinc/46/09/52/1107460952.db2.gz MPQJEPUSCJAMJK-KGLIPLIRSA-N 1 0 358.442 4.464 20 5 FIBDRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000531105575 1107539287 /nfs/dbraw/zinc/53/92/87/1107539287.db2.gz SNJTYWKQHSGDDT-LBPRGKRZSA-N 1 0 368.359 4.036 20 5 FIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccccc1Cl ZINC000237300026 1107717287 /nfs/dbraw/zinc/71/72/87/1107717287.db2.gz FYGZNXAXERHTDP-STQMWFEESA-N 1 0 361.829 4.316 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OC ZINC000475557599 1107725874 /nfs/dbraw/zinc/72/58/74/1107725874.db2.gz ZFVVGBSUKXRWLF-RHSMWYFYSA-N 1 0 374.412 4.177 20 5 FIBDRO 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Cc1[nH]c2ccc(C[NH2+][C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc2c1C ZINC000447530507 1109564547 /nfs/dbraw/zinc/56/45/47/1109564547.db2.gz OFXLJLSJSSUOIB-RBUKOAKNSA-N 1 0 367.453 4.163 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)CCC2 ZINC000447534035 1109570433 /nfs/dbraw/zinc/57/04/33/1109570433.db2.gz ZJVOOHDAIKQWEB-VXKWHMMOSA-N 1 0 365.477 4.399 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(c3ccc(F)cc3)C1)CCC2 ZINC000447546842 1109574414 /nfs/dbraw/zinc/57/44/14/1109574414.db2.gz ZHQDGAMAXTUFLT-BTYIYWSLSA-N 1 0 369.440 4.227 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2csc3ccccc23)n1 ZINC000447545518 1109574416 /nfs/dbraw/zinc/57/44/16/1109574416.db2.gz XJQCSXBZAUHAKV-IRXDYDNUSA-N 1 0 370.478 4.322 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCN(c3ccc(F)cc3)C1)CCC2 ZINC000447546845 1109574461 /nfs/dbraw/zinc/57/44/61/1109574461.db2.gz ZHQDGAMAXTUFLT-YCRPNKLZSA-N 1 0 369.440 4.227 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](OCC)c2ccccc2)cc1[N+](=O)[O-] ZINC000447570103 1109577496 /nfs/dbraw/zinc/57/74/96/1109577496.db2.gz FMDJNKWYRYNMQJ-MGPUTAFESA-N 1 0 358.438 4.422 20 5 FIBDRO COc1cc2c(cc1C[NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)O[C@@H](C)C2 ZINC000447561522 1109582183 /nfs/dbraw/zinc/58/21/83/1109582183.db2.gz IIXKUQSPIRSLAC-ORAYPTAESA-N 1 0 368.433 4.094 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)CCC2 ZINC000447596175 1109591586 /nfs/dbraw/zinc/59/15/86/1109591586.db2.gz BPKOOTQZBKWXEZ-DUXKGJEZSA-N 1 0 352.434 4.340 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000449060377 1109964599 /nfs/dbraw/zinc/96/45/99/1109964599.db2.gz FGQCTHXXXOOIIM-OAHLLOKOSA-N 1 0 367.474 4.482 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000449061548 1109965174 /nfs/dbraw/zinc/96/51/74/1109965174.db2.gz GNQNYFZIWQYGKK-CRAIPNDOSA-N 1 0 359.495 4.014 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000449293574 1110025958 /nfs/dbraw/zinc/02/59/58/1110025958.db2.gz VVTUAIJOJOGDSH-QZTJIDSGSA-N 1 0 353.466 4.032 20 5 FIBDRO COc1ccc(C[NH2+]C2CC(C)(F)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000449370311 1110045007 /nfs/dbraw/zinc/04/50/07/1110045007.db2.gz JKPDZHRZIMGEHY-UHFFFAOYSA-N 1 0 374.412 4.163 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000449476453 1110084383 /nfs/dbraw/zinc/08/43/83/1110084383.db2.gz GJPRXOYWJFABBJ-AOIWGVFYSA-N 1 0 358.482 4.245 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2(CF)CCOCC2)s1 ZINC000449483786 1110088863 /nfs/dbraw/zinc/08/88/63/1110088863.db2.gz CEVWNZFPOKWCOX-UHFFFAOYSA-N 1 0 364.442 4.179 20 5 FIBDRO CCO[C@H]1CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000449496994 1110093527 /nfs/dbraw/zinc/09/35/27/1110093527.db2.gz QPSLVGCXWLVQPX-LIRRHRJNSA-N 1 0 374.437 4.110 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000449544069 1110101185 /nfs/dbraw/zinc/10/11/85/1110101185.db2.gz VGPGPZFRBBWREN-XLIONFOSSA-N 1 0 355.438 4.123 20 5 FIBDRO COCC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000449552317 1110108296 /nfs/dbraw/zinc/10/82/96/1110108296.db2.gz IOQHPFXHQVGTCR-KRWDZBQOSA-N 1 0 368.355 4.481 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cnc(C4CC4)o3)s2)cc1 ZINC000449698789 1110148357 /nfs/dbraw/zinc/14/83/57/1110148357.db2.gz ONPRQTGNDICTEV-UHFFFAOYSA-N 1 0 355.419 4.479 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(Cc3ccccc3)CCOCC2)c(Cl)c1 ZINC000449711342 1110152506 /nfs/dbraw/zinc/15/25/06/1110152506.db2.gz DEVGCAUOFXJRMD-UHFFFAOYSA-N 1 0 360.841 4.130 20 5 FIBDRO C[C@H](c1ccsc1)[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450447220 1110299539 /nfs/dbraw/zinc/29/95/39/1110299539.db2.gz UKGLZFBLAGTCOK-CQSZACIVSA-N 1 0 368.462 4.088 20 5 FIBDRO Cn1cc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538399555 1111116207 /nfs/dbraw/zinc/11/62/07/1111116207.db2.gz NUFRIWBBMVZQLG-QILLFSRXSA-N 1 0 354.454 4.054 20 5 FIBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000538761534 1111289395 /nfs/dbraw/zinc/28/93/95/1111289395.db2.gz JWAWCIFNMPXZCP-GOSISDBHSA-N 1 0 369.465 4.221 20 5 FIBDRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)n1 ZINC000539051193 1111400991 /nfs/dbraw/zinc/40/09/91/1111400991.db2.gz ZNBBFTKXXPEWIO-RDJZCZTQSA-N 1 0 364.449 4.371 20 5 FIBDRO CC[C@H]([NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539052336 1111401433 /nfs/dbraw/zinc/40/14/33/1111401433.db2.gz VUQKNEWHAUTPBI-IRXDYDNUSA-N 1 0 368.355 4.388 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)cc1[N+](=O)[O-] ZINC000539058241 1111405385 /nfs/dbraw/zinc/40/53/85/1111405385.db2.gz ASOGFYAVBQALHG-SALMDCRWSA-N 1 0 352.434 4.230 20 5 FIBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc([S@](C)=O)cc1 ZINC000539084808 1111413507 /nfs/dbraw/zinc/41/35/07/1111413507.db2.gz VOCBUNLLBRTYRV-BZQUYTCOSA-N 1 0 360.479 4.006 20 5 FIBDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000539079520 1111423215 /nfs/dbraw/zinc/42/32/15/1111423215.db2.gz HXJNNBIKUGMHSZ-DLBZAZTESA-N 1 0 373.840 4.094 20 5 FIBDRO CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000539334061 1111517952 /nfs/dbraw/zinc/51/79/52/1111517952.db2.gz LTXJGUZVOZRBKP-SFHVURJKSA-N 1 0 359.401 4.049 20 5 FIBDRO CCS[C@@H]1CCC[C@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000552246024 1111636180 /nfs/dbraw/zinc/63/61/80/1111636180.db2.gz FYDAOSAUPUHODN-JQHSSLGASA-N 1 0 374.510 4.072 20 5 FIBDRO CN(C)Cc1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)cc1Cl ZINC000478047536 1111664890 /nfs/dbraw/zinc/66/48/90/1111664890.db2.gz QSXNSADBCQBIIT-UHFFFAOYSA-N 1 0 372.812 4.043 20 5 FIBDRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000478433940 1111776099 /nfs/dbraw/zinc/77/60/99/1111776099.db2.gz WVIHHYFWKZMRIK-GFCCVEGCSA-N 1 0 368.359 4.036 20 5 FIBDRO COc1cc(OC)c([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000478501761 1111795796 /nfs/dbraw/zinc/79/57/96/1111795796.db2.gz SGWHKUXOSWMZSC-GFCCVEGCSA-N 1 0 364.829 4.425 20 5 FIBDRO COc1ccc(C[NH2+][C@H](c2cc(F)ccc2F)C(C)C)cc1[N+](=O)[O-] ZINC000479062509 1111939635 /nfs/dbraw/zinc/93/96/35/1111939635.db2.gz DEENPOQXMFQLMR-SFHVURJKSA-N 1 0 350.365 4.369 20 5 FIBDRO CC(=O)c1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000553487231 1111987694 /nfs/dbraw/zinc/98/76/94/1111987694.db2.gz OWWMOURIQCTZPW-MGPUTAFESA-N 1 0 367.449 4.120 20 5 FIBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000479611883 1112086272 /nfs/dbraw/zinc/08/62/72/1112086272.db2.gz ABPIOEWMTSDMCN-GDBMZVCRSA-N 1 0 374.441 4.056 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCCC2)cc1[N+](=O)[O-] ZINC000480088176 1112273231 /nfs/dbraw/zinc/27/32/31/1112273231.db2.gz CXIBUKDKOYMEFW-APWZRJJASA-N 1 0 357.454 4.374 20 5 FIBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000480417003 1112420564 /nfs/dbraw/zinc/42/05/64/1112420564.db2.gz IJIHQDYKZPPPKJ-UHFFFAOYSA-N 1 0 368.481 4.235 20 5 FIBDRO COc1sc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1Br ZINC000480480990 1112441195 /nfs/dbraw/zinc/44/11/95/1112441195.db2.gz XQSFMYDWJZUHKY-UHFFFAOYSA-N 1 0 371.256 4.026 20 5 FIBDRO Cc1cc(NCc2ccc([N+](=O)[O-])cc2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000480497418 1112448333 /nfs/dbraw/zinc/44/83/33/1112448333.db2.gz LIOFICUHRZERBY-UHFFFAOYSA-N 1 0 368.481 4.046 20 5 FIBDRO COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000554849371 1112528211 /nfs/dbraw/zinc/52/82/11/1112528211.db2.gz YMCBYJICJIXWTL-OAHLLOKOSA-N 1 0 358.360 4.158 20 5 FIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1COc2ccccc21 ZINC000555423883 1112829614 /nfs/dbraw/zinc/82/96/14/1112829614.db2.gz YLLRNHUAWAXKEY-IAQYHMDHSA-N 1 0 366.339 4.268 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2F)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000555643395 1112955435 /nfs/dbraw/zinc/95/54/35/1112955435.db2.gz LUFKASXSWYVHFB-ZWKOTPCHSA-N 1 0 374.412 4.163 20 5 FIBDRO CC[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160016563 1113279025 /nfs/dbraw/zinc/27/90/25/1113279025.db2.gz GLALSTZKIYRGRH-KRWDZBQOSA-N 1 0 373.419 4.300 20 5 FIBDRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000482515931 1113281633 /nfs/dbraw/zinc/28/16/33/1113281633.db2.gz AOMBSKBAYLNIGW-HNNXBMFYSA-N 1 0 370.453 4.018 20 5 FIBDRO CCCCNC(=O)c1ccc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)cc1 ZINC000160114664 1113301310 /nfs/dbraw/zinc/30/13/10/1113301310.db2.gz QQFNIXDGIOEBQH-HXUWFJFHSA-N 1 0 369.465 4.366 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3CCc3ccccc3)nc2c1 ZINC000482684494 1113330401 /nfs/dbraw/zinc/33/04/01/1113330401.db2.gz RXFVFSPKUSKJFI-INIZCTEOSA-N 1 0 350.422 4.068 20 5 FIBDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000482886415 1113388960 /nfs/dbraw/zinc/38/89/60/1113388960.db2.gz GTRJRDZFRHHXRV-UHFFFAOYSA-N 1 0 364.449 4.398 20 5 FIBDRO Cc1csc(CCCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000160645028 1113428064 /nfs/dbraw/zinc/42/80/64/1113428064.db2.gz KGMIXSOPZDSIJR-KRWDZBQOSA-N 1 0 359.495 4.293 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)C1CC1 ZINC000160690709 1113433226 /nfs/dbraw/zinc/43/32/26/1113433226.db2.gz AWTFBCNTVPKGGL-VQTJNVASSA-N 1 0 354.450 4.019 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](c2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC000027449304 1113646648 /nfs/dbraw/zinc/64/66/48/1113646648.db2.gz UJCKGFFSBLREJG-HNAYVOBHSA-N 1 0 355.438 4.217 20 5 FIBDRO CCc1cccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1CC ZINC000489543291 1114130695 /nfs/dbraw/zinc/13/06/95/1114130695.db2.gz PXMRZZGIOMGMRL-UHFFFAOYSA-N 1 0 364.405 4.158 20 5 FIBDRO C[C@@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000490125525 1114221206 /nfs/dbraw/zinc/22/12/06/1114221206.db2.gz QHAMPVRMUPNVGJ-LAUBAEHRSA-N 1 0 353.466 4.006 20 5 FIBDRO CC[NH+](CC)Cc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000490363627 1114274669 /nfs/dbraw/zinc/27/46/69/1114274669.db2.gz HBGVDWASMKWFFC-UHFFFAOYSA-N 1 0 352.394 4.154 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000151049705 1114283846 /nfs/dbraw/zinc/28/38/46/1114283846.db2.gz WJBUQGFBFFXTCF-HXUWFJFHSA-N 1 0 367.449 4.353 20 5 FIBDRO CC[NH+](CC)[C@H](CNc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccsc1 ZINC000029620819 1114340161 /nfs/dbraw/zinc/34/01/61/1114340161.db2.gz ZXVCQKCMVWJDCQ-GOSISDBHSA-N 1 0 361.467 4.354 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000586795569 1114394842 /nfs/dbraw/zinc/39/48/42/1114394842.db2.gz RIUVPISHRSBBGK-QWHCGFSZSA-N 1 0 354.410 4.282 20 5 FIBDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000055152012 1114421543 /nfs/dbraw/zinc/42/15/43/1114421543.db2.gz GHKPVCDMBUAPET-HUUCEWRRSA-N 1 0 371.437 4.060 20 5 FIBDRO O=[N+]([O-])c1cc(N2CCC[N@@H+](C3CCCC3)CC2)ccc1C(F)(F)F ZINC000590584053 1114951073 /nfs/dbraw/zinc/95/10/73/1114951073.db2.gz GHIHMDMGUVXINT-UHFFFAOYSA-N 1 0 357.376 4.068 20 5 FIBDRO C[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000573874076 1115193576 /nfs/dbraw/zinc/19/35/76/1115193576.db2.gz PTJVGVPBQZOARD-INIZCTEOSA-N 1 0 367.449 4.323 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCc1ccccc1F)[C@H]1CC[C@H](O)CC1 ZINC000592133663 1115204554 /nfs/dbraw/zinc/20/45/54/1115204554.db2.gz ZKQKMBIIKVCOKV-WGSAOQKQSA-N 1 0 372.440 4.082 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H]1CCC(F)(F)C1)[C@H]1CC[C@H](O)CC1 ZINC000592132511 1115205423 /nfs/dbraw/zinc/20/54/23/1115205423.db2.gz HYGILUSUDGPJDY-DJIMGWMZSA-N 1 0 368.424 4.136 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCCCC(F)(F)F)[C@H]1CC[C@H](O)CC1 ZINC000592132221 1115205485 /nfs/dbraw/zinc/20/54/85/1115205485.db2.gz COTIKFUDGQKGQD-WKILWMFISA-N 1 0 374.403 4.433 20 5 FIBDRO Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(OC[C@H]2CCOC2)c1 ZINC000167160630 1115211561 /nfs/dbraw/zinc/21/15/61/1115211561.db2.gz KUYKPAAQACHGDU-SJORKVTESA-N 1 0 370.449 4.169 20 5 FIBDRO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000592153474 1115215793 /nfs/dbraw/zinc/21/57/93/1115215793.db2.gz DLFIUUOOFVGEJJ-DOTOQJQBSA-N 1 0 370.453 4.293 20 5 FIBDRO C[NH+](C)[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)c1ccccc1 ZINC000058489534 1115236781 /nfs/dbraw/zinc/23/67/81/1115236781.db2.gz WZAWYYZAHCJCGN-JOCHJYFZSA-N 1 0 369.468 4.421 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000593076379 1115299373 /nfs/dbraw/zinc/29/93/73/1115299373.db2.gz AQUIYARPYGOWDD-LBTNJELSSA-N 1 0 370.453 4.117 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN(C2CC2)C2CC[NH2+]CC2)s1 ZINC000592424355 1115306235 /nfs/dbraw/zinc/30/62/35/1115306235.db2.gz LEDWIMJLULGUAP-UHFFFAOYSA-N 1 0 357.479 4.040 20 5 FIBDRO C[C@H]1CC2(C[N@@H+]1Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)CCOCC2 ZINC000592525645 1115341576 /nfs/dbraw/zinc/34/15/76/1115341576.db2.gz CIMYIOVHUSVAJM-AWEZNQCLSA-N 1 0 373.478 4.109 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000574583281 1115418910 /nfs/dbraw/zinc/41/89/10/1115418910.db2.gz GXENMMXXUCAUGS-SFHVURJKSA-N 1 0 353.422 4.088 20 5 FIBDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000158002752 1115429540 /nfs/dbraw/zinc/42/95/40/1115429540.db2.gz DGWMWCBRUPMSSQ-ZIAGYGMSSA-N 1 0 361.392 4.050 20 5 FIBDRO Cc1ccc(C[NH+]2CCC(c3ccc4cccnc4n3)CC2)cc1[N+](=O)[O-] ZINC000594614626 1115471790 /nfs/dbraw/zinc/47/17/90/1115471790.db2.gz YMHUQHOTOIGMFV-UHFFFAOYSA-N 1 0 362.433 4.226 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCO[C@@H]3CC3(F)F)o2)c(Cl)c1 ZINC000594970488 1115498860 /nfs/dbraw/zinc/49/88/60/1115498860.db2.gz IBVNGOOSAVDYPD-OAHLLOKOSA-N 1 0 372.755 4.022 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CCCc3c(C)cccc32)c([N+](=O)[O-])cc1OC ZINC000595001741 1115506803 /nfs/dbraw/zinc/50/68/03/1115506803.db2.gz WWHDDKGHHUYFMO-QGZVFWFLSA-N 1 0 356.422 4.088 20 5 FIBDRO COC[C@@H](CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)OC ZINC000595062236 1115508974 /nfs/dbraw/zinc/50/89/74/1115508974.db2.gz ULRNUDZWCIDUKN-UONOGXRCSA-N 1 0 364.467 4.025 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000595031399 1115510232 /nfs/dbraw/zinc/51/02/32/1115510232.db2.gz FOKNEHUEKOBTRP-URKNILKWSA-N 1 0 374.412 4.313 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCc1noc2ccccc12 ZINC000595047161 1115511547 /nfs/dbraw/zinc/51/15/47/1115511547.db2.gz AZBHXMIRSGHBNU-YJBOKZPZSA-N 1 0 365.433 4.280 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1noc2ccccc21 ZINC000595050653 1115512043 /nfs/dbraw/zinc/51/20/43/1115512043.db2.gz TZVOGHAIVOPLLJ-CQSZACIVSA-N 1 0 371.462 4.439 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CCc2cnccc2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595075820 1115516858 /nfs/dbraw/zinc/51/68/58/1115516858.db2.gz ZECVGLMBQYXCOV-NRFANRHFSA-N 1 0 365.433 4.375 20 5 FIBDRO CCc1ccc([C@H]([NH2+]C[C@]2(C)CC2(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595081196 1115517479 /nfs/dbraw/zinc/51/74/79/1115517479.db2.gz QKAVZRKXLDMZKK-SJORKVTESA-N 1 0 350.365 4.475 20 5 FIBDRO Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595097829 1115518049 /nfs/dbraw/zinc/51/80/49/1115518049.db2.gz KTHBYFHKYAZZIN-APWZRJJASA-N 1 0 368.481 4.097 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](c1ccccc1)[C@@H](O)C(C)C ZINC000595097121 1115518183 /nfs/dbraw/zinc/51/81/83/1115518183.db2.gz PIACJRGOFXFANL-KPOBHBOGSA-N 1 0 358.438 4.012 20 5 FIBDRO Cc1noc(C[NH+]2CCC(c3cccc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000595297060 1115521560 /nfs/dbraw/zinc/52/15/60/1115521560.db2.gz PEFLWTORGDNONY-UHFFFAOYSA-N 1 0 351.406 4.424 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000575072722 1115533038 /nfs/dbraw/zinc/53/30/38/1115533038.db2.gz AXARZZDIZBODTP-AFJQURTJSA-N 1 0 354.450 4.110 20 5 FIBDRO Cc1noc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000595451055 1115537621 /nfs/dbraw/zinc/53/76/21/1115537621.db2.gz QSJIMUTWALTKMH-TZMCWYRMSA-N 1 0 369.343 4.336 20 5 FIBDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595464542 1115537901 /nfs/dbraw/zinc/53/79/01/1115537901.db2.gz JDXSLSNXNHFCOA-UHFFFAOYSA-N 1 0 368.412 4.229 20 5 FIBDRO C[NH+](C)C1CCC2(CC1)CCN(c1ccc3ncccc3c1[N+](=O)[O-])CC2 ZINC000596255352 1115581541 /nfs/dbraw/zinc/58/15/41/1115581541.db2.gz NVNKBBDGYLUXNI-UHFFFAOYSA-N 1 0 368.481 4.234 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CC[C@@H]2CC2(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000598679020 1115743941 /nfs/dbraw/zinc/74/39/41/1115743941.db2.gz CXKGKIMYJGBSJE-DYVFJYSZSA-N 1 0 350.365 4.475 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000061002773 1115747489 /nfs/dbraw/zinc/74/74/89/1115747489.db2.gz FKAMETFZEFFZSR-INIZCTEOSA-N 1 0 362.813 4.309 20 5 FIBDRO COc1cc(C[N@@H+]2CCC23CCCC3)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000593645051 1115767597 /nfs/dbraw/zinc/76/75/97/1115767597.db2.gz HXHVWODBWKBAMP-UHFFFAOYSA-N 1 0 374.359 4.063 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@H]3CCCOC3)o2)c(Cl)c1 ZINC000598985637 1115773386 /nfs/dbraw/zinc/77/33/86/1115773386.db2.gz WRHLBGSRVVWLRV-CYBMUJFWSA-N 1 0 364.829 4.415 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)o2)c(Cl)c1 ZINC000599008186 1115776528 /nfs/dbraw/zinc/77/65/28/1115776528.db2.gz VOKFCENJWBBZIA-SGTLLEGYSA-N 1 0 362.813 4.165 20 5 FIBDRO C[C@H](Nc1ccc2cnccc2c1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000599066956 1115786678 /nfs/dbraw/zinc/78/66/78/1115786678.db2.gz VJVNNASEMWZBHB-HOCLYGCPSA-N 1 0 354.454 4.208 20 5 FIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000599086433 1115787886 /nfs/dbraw/zinc/78/78/86/1115787886.db2.gz NAZGJAMVXVTQIA-GFCCVEGCSA-N 1 0 373.375 4.024 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1CC(F)(F)F ZINC000599092669 1115788435 /nfs/dbraw/zinc/78/84/35/1115788435.db2.gz RKNHHCOWAOWSGX-MRXNPFEDSA-N 1 0 350.340 4.477 20 5 FIBDRO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000593685009 1115792239 /nfs/dbraw/zinc/79/22/39/1115792239.db2.gz BECHTUNPLVYYHX-OALUTQOASA-N 1 0 368.433 4.255 20 5 FIBDRO O=[N+]([O-])c1c(NC[C@H](c2ccco2)[NH+]2CCCCC2)ccc2ncccc21 ZINC000603837326 1115819949 /nfs/dbraw/zinc/81/99/49/1115819949.db2.gz JRCINJVGSWKMBJ-GOSISDBHSA-N 1 0 366.421 4.375 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000599642810 1115833451 /nfs/dbraw/zinc/83/34/51/1115833451.db2.gz WKCBKRSLOINSOY-CQSZACIVSA-N 1 0 370.453 4.261 20 5 FIBDRO CCC(CC)[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000604434789 1115865280 /nfs/dbraw/zinc/86/52/80/1115865280.db2.gz JOZPHKPAIQHTAO-UHFFFAOYSA-N 1 0 358.385 4.358 20 5 FIBDRO CCC[C@@H](C)[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000604475564 1115866060 /nfs/dbraw/zinc/86/60/60/1115866060.db2.gz SCUSNBNXCUEVCA-OAHLLOKOSA-N 1 0 358.438 4.461 20 5 FIBDRO NC(=[NH2+])c1nccn1-c1ccc2ccc3ccc(Br)cc3c2c1 ZINC001168420260 1115894865 /nfs/dbraw/zinc/89/48/65/1115894865.db2.gz SCAGCWXIHDOZOT-UHFFFAOYSA-N 1 0 365.234 4.225 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)C2CCC(F)(F)CC2)cccc1[N+](=O)[O-] ZINC000594046750 1115979043 /nfs/dbraw/zinc/97/90/43/1115979043.db2.gz YFORCQXLXSUZOF-ZDUSSCGKSA-N 1 0 369.412 4.035 20 5 FIBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000173406705 1116061427 /nfs/dbraw/zinc/06/14/27/1116061427.db2.gz MUJUDAASPODABY-HWPZZCPQSA-N 1 0 355.221 4.286 20 5 FIBDRO CCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccccc1 ZINC000063482230 1116073643 /nfs/dbraw/zinc/07/36/43/1116073643.db2.gz UAGLALPWSQSPAI-UHFFFAOYSA-N 1 0 355.438 4.144 20 5 FIBDRO Cc1ccc(C)n1C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000608779730 1116128183 /nfs/dbraw/zinc/12/81/83/1116128183.db2.gz UPKYEDSDAXCXDI-UHFFFAOYSA-N 1 0 357.454 4.119 20 5 FIBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCC[C@H]1C ZINC000608836318 1116131197 /nfs/dbraw/zinc/13/11/97/1116131197.db2.gz HWCNGVQCFKCFAD-HZPDHXFCSA-N 1 0 357.454 4.207 20 5 FIBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000608836912 1116131234 /nfs/dbraw/zinc/13/12/34/1116131234.db2.gz YIYBXRFQESDIMK-JKSUJKDBSA-N 1 0 357.454 4.065 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC2CCC2)cc1 ZINC000608836592 1116131379 /nfs/dbraw/zinc/13/13/79/1116131379.db2.gz WOFBVJITOIYDPG-UHFFFAOYSA-N 1 0 362.433 4.337 20 5 FIBDRO COc1cc(C[NH2+]C(C)(C)C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000534286875 1116180423 /nfs/dbraw/zinc/18/04/23/1116180423.db2.gz WJGQUHFVKPMJKH-UHFFFAOYSA-N 1 0 370.449 4.461 20 5 FIBDRO COc1ccc(OC2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000534336228 1116188348 /nfs/dbraw/zinc/18/83/48/1116188348.db2.gz HFMYALPQGJHQFC-GQCTYLIASA-N 1 0 368.433 4.160 20 5 FIBDRO C[C@@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000089669542 1116238937 /nfs/dbraw/zinc/23/89/37/1116238937.db2.gz MPQMCJOEIBRIAD-CQSZACIVSA-N 1 0 368.462 4.397 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000152768675 1116323701 /nfs/dbraw/zinc/32/37/01/1116323701.db2.gz CJQGAZFZFJBVLE-QWHCGFSZSA-N 1 0 358.394 4.134 20 5 FIBDRO CC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000539424358 1116334970 /nfs/dbraw/zinc/33/49/70/1116334970.db2.gz KWJLPNLOLNWARB-SFHVURJKSA-N 1 0 369.465 4.188 20 5 FIBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907088 1116347063 /nfs/dbraw/zinc/34/70/63/1116347063.db2.gz LJQPJTWXTPTORL-DLBZAZTESA-N 1 0 361.467 4.356 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(c4c[nH]cn4)CC3)s2)cc1 ZINC000539825689 1116383844 /nfs/dbraw/zinc/38/38/44/1116383844.db2.gz UTCDWQKVRGSFGU-UHFFFAOYSA-N 1 0 368.462 4.426 20 5 FIBDRO COC(=O)CCC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000539830342 1116387842 /nfs/dbraw/zinc/38/78/42/1116387842.db2.gz MHJVWHAGGBYKEG-UHFFFAOYSA-N 1 0 372.421 4.020 20 5 FIBDRO CCS[C@@H]1CCCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000539830411 1116387886 /nfs/dbraw/zinc/38/78/86/1116387886.db2.gz UFULUITYBYQPHU-GOSISDBHSA-N 1 0 374.510 4.103 20 5 FIBDRO C[C@@H](c1ccsc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000462698821 1116392232 /nfs/dbraw/zinc/39/22/32/1116392232.db2.gz HMBOYXYSXMAGJQ-AWEZNQCLSA-N 1 0 368.462 4.088 20 5 FIBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C12CCC2 ZINC000462754748 1117746406 /nfs/dbraw/zinc/74/64/06/1117746406.db2.gz RBCDUBNWNADIHS-RBUKOAKNSA-N 1 0 356.422 4.292 20 5 FIBDRO C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C[C@@H]1CCC[C@@H]1O ZINC000539912646 1117749690 /nfs/dbraw/zinc/74/96/90/1117749690.db2.gz FFFUGWPMAHLDCP-KXBFYZLASA-N 1 0 374.412 4.119 20 5 FIBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C12CCC2 ZINC000462762626 1117753812 /nfs/dbraw/zinc/75/38/12/1117753812.db2.gz KQLQNSRIVJQNEB-MOPGFXCFSA-N 1 0 356.422 4.292 20 5 FIBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C12CCCC2 ZINC000462758574 1117758481 /nfs/dbraw/zinc/75/84/81/1117758481.db2.gz UZHDLBTVJYZYSP-JKSUJKDBSA-N 1 0 370.396 4.024 20 5 FIBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccc(F)cc1 ZINC000462779229 1117763189 /nfs/dbraw/zinc/76/31/89/1117763189.db2.gz RZNFDKPMSHYJLL-HNNXBMFYSA-N 1 0 369.343 4.050 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]C[C@](C)(OC)C2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000462821847 1117796619 /nfs/dbraw/zinc/79/66/19/1117796619.db2.gz RKGFQCKZZMWMFJ-PMACEKPBSA-N 1 0 358.438 4.244 20 5 FIBDRO C[N@H+](Cc1ccco1)Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1 ZINC000462873553 1117832393 /nfs/dbraw/zinc/83/23/93/1117832393.db2.gz HONPSFJRGFSNSM-UHFFFAOYSA-N 1 0 351.406 4.432 20 5 FIBDRO COc1ccc([N+](=O)[O-])c(NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000462925502 1117863655 /nfs/dbraw/zinc/86/36/55/1117863655.db2.gz HMEJVXSPWBQARH-UHFFFAOYSA-N 1 0 355.438 4.201 20 5 FIBDRO COc1ccc(OC)c(CCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000540147951 1117898866 /nfs/dbraw/zinc/89/88/66/1117898866.db2.gz ZYBNNRUCPVEVSP-OAHLLOKOSA-N 1 0 358.438 4.204 20 5 FIBDRO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540155967 1117908640 /nfs/dbraw/zinc/90/86/40/1117908640.db2.gz OQGNXUNEBGSDDE-UONOGXRCSA-N 1 0 371.437 4.282 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCOc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000540170071 1117911575 /nfs/dbraw/zinc/91/15/75/1117911575.db2.gz VSOBIANJYSSDGF-LBPRGKRZSA-N 1 0 366.364 4.001 20 5 FIBDRO CCC[C@@H]([NH2+]CC(=O)N(CC)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540170275 1117912724 /nfs/dbraw/zinc/91/27/24/1117912724.db2.gz OJODPFXWAUOWKD-HXUWFJFHSA-N 1 0 369.465 4.074 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c(Cl)c1 ZINC000463032424 1117935604 /nfs/dbraw/zinc/93/56/04/1117935604.db2.gz GVJZIUIRYCSRLF-FQEVSTJZSA-N 1 0 374.868 4.065 20 5 FIBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000540380515 1118031960 /nfs/dbraw/zinc/03/19/60/1118031960.db2.gz NZPFNUSAJQDURH-CQSZACIVSA-N 1 0 354.328 4.257 20 5 FIBDRO Cc1cccc(C(C)(C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000540414793 1118042459 /nfs/dbraw/zinc/04/24/59/1118042459.db2.gz PWNMNBDIDGHYTC-UHFFFAOYSA-N 1 0 355.438 4.065 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000540415502 1118042889 /nfs/dbraw/zinc/04/28/89/1118042889.db2.gz YKBNYRYIZYOTID-UHFFFAOYSA-N 1 0 373.840 4.164 20 5 FIBDRO C[C@H](NC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000463276235 1118075192 /nfs/dbraw/zinc/07/51/92/1118075192.db2.gz OZPKFBHNKWDDEF-INIZCTEOSA-N 1 0 371.456 4.092 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000540468074 1118083033 /nfs/dbraw/zinc/08/30/33/1118083033.db2.gz HXDNJABSKBIWCX-DTDBQYNISA-N 1 0 362.495 4.013 20 5 FIBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)(C)c1ccccc1 ZINC000540522515 1118107354 /nfs/dbraw/zinc/10/73/54/1118107354.db2.gz SXLCHEGLIVHFTG-IBGZPJMESA-N 1 0 369.465 4.188 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCCCC23CCCC3)cccc1[N+](=O)[O-] ZINC000463443913 1118157417 /nfs/dbraw/zinc/15/74/17/1118157417.db2.gz YTBFFELFNVTLFN-SFHVURJKSA-N 1 0 359.470 4.324 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOc3ncccc3F)s2)cc1 ZINC000540623050 1118165841 /nfs/dbraw/zinc/16/58/41/1118165841.db2.gz WKRMIIXNVGYQCK-UHFFFAOYSA-N 1 0 373.409 4.026 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]CCc2nc(-c3ccccn3)cs2)cccc1[N+](=O)[O-] ZINC000090044366 1118220395 /nfs/dbraw/zinc/22/03/95/1118220395.db2.gz JWPJPDCWIKEBLN-CQSZACIVSA-N 1 0 368.462 4.315 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000540780438 1118243045 /nfs/dbraw/zinc/24/30/45/1118243045.db2.gz ZSKMPIXNTYHNAG-XIRDDKMYSA-N 1 0 350.459 4.238 20 5 FIBDRO CCSCC[C@H](C)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000464050750 1118414078 /nfs/dbraw/zinc/41/40/78/1118414078.db2.gz NJQQJFOBNSKVRW-ZDUSSCGKSA-N 1 0 364.467 4.485 20 5 FIBDRO C[NH+](C)C1(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000491315021 1118477278 /nfs/dbraw/zinc/47/72/78/1118477278.db2.gz GRFYTOVMKTZSJW-FQEVSTJZSA-N 1 0 353.466 4.148 20 5 FIBDRO Cc1ccc([C@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)cc1 ZINC000541390867 1118491666 /nfs/dbraw/zinc/49/16/66/1118491666.db2.gz VSRIJUJSQQZJKX-SFHVURJKSA-N 1 0 367.449 4.030 20 5 FIBDRO C[N@H+](CCc1ccccc1O)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000541551431 1118559158 /nfs/dbraw/zinc/55/91/58/1118559158.db2.gz NIUFKEQWPCUPFZ-UHFFFAOYSA-N 1 0 352.390 4.235 20 5 FIBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000541626459 1118586992 /nfs/dbraw/zinc/58/69/92/1118586992.db2.gz YWFLUAGDWLRPNI-ZWNOBZJWSA-N 1 0 367.858 4.378 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000541761980 1118634473 /nfs/dbraw/zinc/63/44/73/1118634473.db2.gz FHRDKQJSUDGCKG-CRAIPNDOSA-N 1 0 364.804 4.397 20 5 FIBDRO COc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2F)c([N+](=O)[O-])c1 ZINC000464727290 1118674351 /nfs/dbraw/zinc/67/43/51/1118674351.db2.gz VFZXZPRKYLSQRZ-KDOFPFPSSA-N 1 0 374.412 4.204 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCCOc3ccc(F)cc3)CC2)cc1 ZINC000464777763 1118690486 /nfs/dbraw/zinc/69/04/86/1118690486.db2.gz NIWZOKVLYFCGDA-UHFFFAOYSA-N 1 0 374.412 4.046 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000090218009 1118711289 /nfs/dbraw/zinc/71/12/89/1118711289.db2.gz BGEVUHLALHPEJY-URLQWDBASA-N 1 0 350.459 4.095 20 5 FIBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)C[C@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000464862011 1118727894 /nfs/dbraw/zinc/72/78/94/1118727894.db2.gz WGMHJGHFCSXNCJ-KDOFPFPSSA-N 1 0 371.437 4.298 20 5 FIBDRO CO[C@H](C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(C)C ZINC000465005583 1118787311 /nfs/dbraw/zinc/78/73/11/1118787311.db2.gz YPENOHXBWPJVOC-HXUWFJFHSA-N 1 0 357.454 4.123 20 5 FIBDRO Cc1cnc(CC[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)s1 ZINC000549922112 1118974075 /nfs/dbraw/zinc/97/40/75/1118974075.db2.gz ZEDHAWHBAOQXKD-UHFFFAOYSA-N 1 0 359.373 4.053 20 5 FIBDRO CC(C)([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000491997795 1119001167 /nfs/dbraw/zinc/00/11/67/1119001167.db2.gz IPFOVSLNKGTSFI-UHFFFAOYSA-N 1 0 362.813 4.044 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000492002139 1119001664 /nfs/dbraw/zinc/00/16/64/1119001664.db2.gz RWORZXRYRYSQSK-JMPLCFMRSA-N 1 0 355.413 4.006 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000152056258 1119071705 /nfs/dbraw/zinc/07/17/05/1119071705.db2.gz NYIAZNVNNOOJPI-MRXNPFEDSA-N 1 0 372.440 4.441 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000152056337 1119071963 /nfs/dbraw/zinc/07/19/63/1119071963.db2.gz NYIAZNVNNOOJPI-INIZCTEOSA-N 1 0 372.440 4.441 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000152214626 1119153196 /nfs/dbraw/zinc/15/31/96/1119153196.db2.gz KPDMQCFQJQNICH-SNVBAGLBSA-N 1 0 359.373 4.272 20 5 FIBDRO C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000090455653 1119161649 /nfs/dbraw/zinc/16/16/49/1119161649.db2.gz JDMMUBQJRCUZLF-OCCSQVGLSA-N 1 0 368.462 4.255 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000492825714 1119196773 /nfs/dbraw/zinc/19/67/73/1119196773.db2.gz CVPUDLQPGQITNO-NSHDSACASA-N 1 0 352.337 4.056 20 5 FIBDRO C[C@]1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCC[C@H]1O ZINC000493177798 1119328451 /nfs/dbraw/zinc/32/84/51/1119328451.db2.gz QWIUSMBKTDZWPQ-QHAWAJNXSA-N 1 0 354.450 4.215 20 5 FIBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000493174220 1119329623 /nfs/dbraw/zinc/32/96/23/1119329623.db2.gz ICPLCPJKOQZVNB-GIVPXCGWSA-N 1 0 354.450 4.477 20 5 FIBDRO Cc1ccc(NCc2ccc([N+](=O)[O-])c(Cl)c2)c(OCC[NH+](C)C)c1 ZINC000761516367 1119407924 /nfs/dbraw/zinc/40/79/24/1119407924.db2.gz NVXDYSDIZZSBTF-UHFFFAOYSA-N 1 0 363.845 4.109 20 5 FIBDRO CC(C)(C)c1csc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000761519775 1119408623 /nfs/dbraw/zinc/40/86/23/1119408623.db2.gz IGLGAWCMUHUJHF-UHFFFAOYSA-N 1 0 353.875 4.335 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1Cl ZINC000761520669 1119408800 /nfs/dbraw/zinc/40/88/00/1119408800.db2.gz DEOSFRJPUDOMSV-ROUUACIJSA-N 1 0 364.804 4.397 20 5 FIBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(Cl)c1 ZINC000761526485 1119410037 /nfs/dbraw/zinc/41/00/37/1119410037.db2.gz NFWRPWCVLVDTGW-MRXNPFEDSA-N 1 0 355.221 4.379 20 5 FIBDRO COc1ccccc1OC[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761525996 1119411966 /nfs/dbraw/zinc/41/19/66/1119411966.db2.gz FZUBIJLVLJVFIX-CYBMUJFWSA-N 1 0 364.829 4.062 20 5 FIBDRO CC(C)C[C@H](CCO)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493246284 1119433720 /nfs/dbraw/zinc/43/37/20/1119433720.db2.gz HJHMLUXGXKPRBO-UWJYYQICSA-N 1 0 356.466 4.319 20 5 FIBDRO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C[NH+]1CCCCCC1 ZINC000494046838 1119529394 /nfs/dbraw/zinc/52/93/94/1119529394.db2.gz HANACYXMVVLNFY-UHFFFAOYSA-N 1 0 373.453 4.068 20 5 FIBDRO CCc1ccc(C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000609193607 1119841113 /nfs/dbraw/zinc/84/11/13/1119841113.db2.gz ORZRQDACXDGUJR-UHFFFAOYSA-N 1 0 365.433 4.487 20 5 FIBDRO CC(C)n1ccc(C[C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000494532303 1119896741 /nfs/dbraw/zinc/89/67/41/1119896741.db2.gz YJXUWZOZFJXAMM-GFCCVEGCSA-N 1 0 370.375 4.112 20 5 FIBDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000190931403 1119954446 /nfs/dbraw/zinc/95/44/46/1119954446.db2.gz RILGXJGZJQXOAE-DGCLKSJQSA-N 1 0 350.802 4.165 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)CCC2 ZINC000193070714 1120352918 /nfs/dbraw/zinc/35/29/18/1120352918.db2.gz HHTHTUJQRRZOEY-HSALFYBXSA-N 1 0 374.387 4.370 20 5 FIBDRO Cc1c(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000494980286 1120407814 /nfs/dbraw/zinc/40/78/14/1120407814.db2.gz PKYHVNULWKLPOI-KXBFYZLASA-N 1 0 358.413 4.300 20 5 FIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000495030864 1120439598 /nfs/dbraw/zinc/43/95/98/1120439598.db2.gz QSJISWYUNRTWDE-KBPBESRZSA-N 1 0 369.412 4.117 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000609214573 1120446407 /nfs/dbraw/zinc/44/64/07/1120446407.db2.gz JZJJUGVMWBVFJC-OAHLLOKOSA-N 1 0 370.453 4.154 20 5 FIBDRO Cc1ccc(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000609214609 1120453354 /nfs/dbraw/zinc/45/33/54/1120453354.db2.gz OTRCBEHADQMDSA-HNNXBMFYSA-N 1 0 370.453 4.154 20 5 FIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)c1 ZINC000495085426 1120461563 /nfs/dbraw/zinc/46/15/63/1120461563.db2.gz OIRNCSOTWIMHDK-JXFKEZNVSA-N 1 0 358.413 4.034 20 5 FIBDRO C[C@@H](C1CC1)[NH+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc([N+](=O)[O-])c1 ZINC000914867082 1120604881 /nfs/dbraw/zinc/60/48/81/1120604881.db2.gz SAMPCRLMEGTDLW-AWEZNQCLSA-N 1 0 355.394 4.304 20 5 FIBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000495367754 1120751463 /nfs/dbraw/zinc/75/14/63/1120751463.db2.gz CWKNYTZBTMDZLD-LBPRGKRZSA-N 1 0 361.829 4.100 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)CCC2 ZINC000193356479 1120799178 /nfs/dbraw/zinc/79/91/78/1120799178.db2.gz BPKOOTQZBKWXEZ-WMQCIHAUSA-N 1 0 352.434 4.340 20 5 FIBDRO O=[N+]([O-])c1ccc2nc(NC3CC[NH+](CC4CCCC4)CC3)ccc2c1 ZINC000301057191 1120812514 /nfs/dbraw/zinc/81/25/14/1120812514.db2.gz AFFLUXVUGGXPLK-UHFFFAOYSA-N 1 0 354.454 4.210 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1[N+](=O)[O-] ZINC000762614132 1120939392 /nfs/dbraw/zinc/93/93/92/1120939392.db2.gz JMDXUFQIEUZBIQ-PVAVHDDUSA-N 1 0 352.525 4.187 20 5 FIBDRO CC[C@H](C)Oc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000609222592 1120997525 /nfs/dbraw/zinc/99/75/25/1120997525.db2.gz SNHDRZZDQWTYOV-HNNXBMFYSA-N 1 0 358.438 4.113 20 5 FIBDRO C[C@@H](C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N(C)C ZINC000609223485 1121013102 /nfs/dbraw/zinc/01/31/02/1121013102.db2.gz XNODTJXMRDSGEM-ZDUSSCGKSA-N 1 0 363.845 4.080 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000131446245 1121156993 /nfs/dbraw/zinc/15/69/93/1121156993.db2.gz IEIGXSMKWTZMQQ-CQSZACIVSA-N 1 0 368.412 4.387 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C2CCC(OC(C)C)CC2)cc1[N+](=O)[O-] ZINC000090771632 1121343618 /nfs/dbraw/zinc/34/36/18/1121343618.db2.gz WRGHLJQXHZYOAY-OOHWJJMZSA-N 1 0 350.459 4.380 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CC)c2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000154065346 1121551469 /nfs/dbraw/zinc/55/14/69/1121551469.db2.gz NQMIEPFPMYPVPF-WBMJQRKESA-N 1 0 360.458 4.146 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000917082343 1122082639 /nfs/dbraw/zinc/08/26/39/1122082639.db2.gz QGLPCCVKSHJELP-UWVGGRQHSA-N 1 0 363.767 4.306 20 5 FIBDRO C[N@@H+]1CCC[C@@H](CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301203369 1122156453 /nfs/dbraw/zinc/15/64/53/1122156453.db2.gz NOGJQEJESCXICM-VIFPVBQESA-N 1 0 351.756 4.021 20 5 FIBDRO Cc1cc([C@@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)ccc1F ZINC000553621346 1122172426 /nfs/dbraw/zinc/17/24/26/1122172426.db2.gz GVNJNWNVUBBAIL-FQEVSTJZSA-N 1 0 371.412 4.030 20 5 FIBDRO Cc1c(C[NH2+]CCc2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000917137040 1122193001 /nfs/dbraw/zinc/19/30/01/1122193001.db2.gz HOHFBUQHGAQHLF-UHFFFAOYSA-N 1 0 354.328 4.134 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c1 ZINC000301566996 1122221669 /nfs/dbraw/zinc/22/16/69/1122221669.db2.gz MTLNISMDRPZGBQ-UHFFFAOYSA-N 1 0 372.444 4.316 20 5 FIBDRO O=[N+]([O-])c1ccc(CSC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000556339601 1122822080 /nfs/dbraw/zinc/82/20/80/1122822080.db2.gz BBDVCEJXGWSLOF-FQEVSTJZSA-N 1 0 372.490 4.119 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](CC3CC3)C3CCCCC3)o2)cc1 ZINC000170820941 1123511428 /nfs/dbraw/zinc/51/14/28/1123511428.db2.gz ARULOYNVQDOJSL-UHFFFAOYSA-N 1 0 356.426 4.190 20 5 FIBDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000609544471 1123749113 /nfs/dbraw/zinc/74/91/13/1123749113.db2.gz KJJPCXJETBDKEQ-LJQANCHMSA-N 1 0 360.479 4.305 20 5 FIBDRO C[C@H]1C[C@@H](N(C)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000609964793 1123898565 /nfs/dbraw/zinc/89/85/65/1123898565.db2.gz MDICQIURRBAQBO-YJBOKZPZSA-N 1 0 357.429 4.223 20 5 FIBDRO C[C@@H]1C[C@@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000610003577 1123914286 /nfs/dbraw/zinc/91/42/86/1123914286.db2.gz XERCDIVENPXBQU-AEFFLSMTSA-N 1 0 371.456 4.219 20 5 FIBDRO CC(C)C[C@@H]1CCCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000610133871 1123949430 /nfs/dbraw/zinc/94/94/30/1123949430.db2.gz BYJRVWJRZHDZSL-INIZCTEOSA-N 1 0 358.442 4.436 20 5 FIBDRO Cc1c(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000237605046 1123993939 /nfs/dbraw/zinc/99/39/39/1123993939.db2.gz MZYZRFJGDBONDA-UHFFFAOYSA-N 1 0 354.328 4.134 20 5 FIBDRO C[C@](CO)([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccccc1 ZINC000237637115 1124002555 /nfs/dbraw/zinc/00/25/55/1124002555.db2.gz XQHFCOQOCUJCTC-HXUWFJFHSA-N 1 0 368.458 4.321 20 5 FIBDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000615842167 1124134725 /nfs/dbraw/zinc/13/47/25/1124134725.db2.gz FEGMVQOEJMOUPX-OVHOFWQVSA-N 1 0 358.360 4.041 20 5 FIBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273515506 1124189030 /nfs/dbraw/zinc/18/90/30/1124189030.db2.gz PEBMNOMFBMILEL-CVEARBPZSA-N 1 0 350.415 4.148 20 5 FIBDRO CC(C)Sc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765850323 1124202902 /nfs/dbraw/zinc/20/29/02/1124202902.db2.gz XKCMGZREZRACIS-LIRRHRJNSA-N 1 0 360.479 4.480 20 5 FIBDRO CC(C)Sc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765850321 1124203081 /nfs/dbraw/zinc/20/30/81/1124203081.db2.gz XKCMGZREZRACIS-IFXJQAMLSA-N 1 0 360.479 4.480 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCCOCC(F)(F)F)c2ccccc2)c1 ZINC000180089596 1124228733 /nfs/dbraw/zinc/22/87/33/1124228733.db2.gz RIYHKOWXLDMROP-QGZVFWFLSA-N 1 0 368.355 4.243 20 5 FIBDRO CC(C)Oc1ccc([C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000554088015 1124278597 /nfs/dbraw/zinc/27/85/97/1124278597.db2.gz IKKULDWQTAKUPU-HRAATJIYSA-N 1 0 371.481 4.336 20 5 FIBDRO C[NH+]1CCC(Cc2nc(-c3c4ccccc4nc4ccccc43)no2)CC1 ZINC000624749933 1124302305 /nfs/dbraw/zinc/30/23/05/1124302305.db2.gz QIIGWNQSNWQHIU-UHFFFAOYSA-N 1 0 358.445 4.322 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000180413121 1124321735 /nfs/dbraw/zinc/32/17/35/1124321735.db2.gz KPYFRQDAGLWXDP-OAHLLOKOSA-N 1 0 350.422 4.155 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000765884137 1124328305 /nfs/dbraw/zinc/32/83/05/1124328305.db2.gz XNSANZPICIVJRQ-QVKFZJNVSA-N 1 0 350.418 4.441 20 5 FIBDRO C[C@H]1CC[C@]2(CC[N@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000542853567 1124466419 /nfs/dbraw/zinc/46/64/19/1124466419.db2.gz GCMNJFTXCYWSCT-YWZLYKJASA-N 1 0 354.454 4.007 20 5 FIBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C12CCCC2 ZINC000462758573 1124489729 /nfs/dbraw/zinc/48/97/29/1124489729.db2.gz UZHDLBTVJYZYSP-HZPDHXFCSA-N 1 0 370.396 4.024 20 5 FIBDRO CC(C)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000428839616 1124527021 /nfs/dbraw/zinc/52/70/21/1124527021.db2.gz KPKYQHQYAJPBLK-INIZCTEOSA-N 1 0 355.438 4.029 20 5 FIBDRO C[N@@H+]1CCC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000153832259 1124573093 /nfs/dbraw/zinc/57/30/93/1124573093.db2.gz VYIZDQRIITWQKY-IAQYHMDHSA-N 1 0 366.874 4.200 20 5 FIBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC001168676183 1124749532 /nfs/dbraw/zinc/74/95/32/1124749532.db2.gz JEAGJDUZPLTLRR-PXAZEXFGSA-N 1 0 361.829 4.316 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000542946057 1124945651 /nfs/dbraw/zinc/94/56/51/1124945651.db2.gz CPFASZZGWBOFRK-CHWSQXEVSA-N 1 0 368.359 4.208 20 5 FIBDRO O=[N+]([O-])c1cc(CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000311135137 1125111579 /nfs/dbraw/zinc/11/15/79/1125111579.db2.gz KFWHQUWOZGQWJV-KRWDZBQOSA-N 1 0 359.495 4.048 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)o1 ZINC000618197869 1125112353 /nfs/dbraw/zinc/11/23/53/1125112353.db2.gz NTHYTAMPOMPQAX-INIZCTEOSA-N 1 0 364.401 4.208 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2cccc3cnccc32)cc(C(F)(F)F)c1 ZINC000618731744 1125266462 /nfs/dbraw/zinc/26/64/62/1125266462.db2.gz GCALEQLVJOXSSL-UHFFFAOYSA-N 1 0 361.323 4.452 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000182344886 1125426049 /nfs/dbraw/zinc/42/60/49/1125426049.db2.gz JFTPHBFXNSGKPB-CHWSQXEVSA-N 1 0 361.829 4.234 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H](C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000109093176 209297970 /nfs/dbraw/zinc/29/79/70/209297970.db2.gz TYNKWRGRICJEEK-CQSZACIVSA-N 1 0 359.401 4.064 20 5 FIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000128539023 567905033 /nfs/dbraw/zinc/90/50/33/567905033.db2.gz HGDZJUUWDXHNPN-UHFFFAOYSA-N 1 0 353.422 4.060 20 5 FIBDRO CCC[N@H+](CC)Cc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000481490455 567987940 /nfs/dbraw/zinc/98/79/40/567987940.db2.gz KEWPPHNUOOZDMP-UHFFFAOYSA-N 1 0 369.465 4.065 20 5 FIBDRO CC(C)[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000584665113 568022382 /nfs/dbraw/zinc/02/23/82/568022382.db2.gz AENIFABBJYWNPJ-UTKZUKDTSA-N 1 0 368.433 4.340 20 5 FIBDRO COC[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cc1 ZINC000568320602 568024081 /nfs/dbraw/zinc/02/40/81/568024081.db2.gz DWSXYIHICMDFHI-IBGZPJMESA-N 1 0 373.840 4.249 20 5 FIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc(-c2ccsc2)s1 ZINC000568328384 568024781 /nfs/dbraw/zinc/02/47/81/568024781.db2.gz SCNMOGXGXUPEQS-UHFFFAOYSA-N 1 0 359.476 4.454 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000568804217 568226744 /nfs/dbraw/zinc/22/67/44/568226744.db2.gz KVSBRPAZTNJWMO-DPVXCJKMSA-N 1 0 364.445 4.292 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)n1 ZINC000482075835 568254384 /nfs/dbraw/zinc/25/43/84/568254384.db2.gz KTTXRKVLWCUUJE-VVWQDTPRSA-N 1 0 372.444 4.340 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000568998101 568265556 /nfs/dbraw/zinc/26/55/56/568265556.db2.gz YGMYVAPFVGRGBP-BLLLJJGKSA-N 1 0 358.360 4.005 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000569019690 568272619 /nfs/dbraw/zinc/27/26/19/568272619.db2.gz NJQMDOCFZIJVPS-IHPCNDPISA-N 1 0 356.397 4.231 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000569025524 568275325 /nfs/dbraw/zinc/27/53/25/568275325.db2.gz WFFXZWAEDYCQPX-CQSZACIVSA-N 1 0 354.385 4.079 20 5 FIBDRO Cn1cc(-c2ccc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000291709328 568278408 /nfs/dbraw/zinc/27/84/08/568278408.db2.gz LFAISXJHSYIUBH-UHFFFAOYSA-N 1 0 356.451 4.082 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)C1CC1 ZINC000482113771 568279144 /nfs/dbraw/zinc/27/91/44/568279144.db2.gz LGNWXWMTZLMABL-IBGZPJMESA-N 1 0 367.424 4.369 20 5 FIBDRO Cc1ccc(C[NH2+][C@H](C)Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000604435000 568292420 /nfs/dbraw/zinc/29/24/20/568292420.db2.gz GHGWRTMZBWNYIM-CYBMUJFWSA-N 1 0 363.255 4.387 20 5 FIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C)(C2CC2)CC1 ZINC000569292822 568338722 /nfs/dbraw/zinc/33/87/22/568338722.db2.gz AHQZQWJOTNTXNI-ZDUSSCGKSA-N 1 0 356.426 4.218 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@H]3[C@H]3CCCOC3)o2)c1 ZINC000517937066 568340265 /nfs/dbraw/zinc/34/02/65/568340265.db2.gz KZIVHBJKZWUOMY-LPHOPBHVSA-N 1 0 356.422 4.246 20 5 FIBDRO CC(C)[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000570648153 568493536 /nfs/dbraw/zinc/49/35/36/568493536.db2.gz JYQTVYVIJKBDMN-HNAYVOBHSA-N 1 0 350.422 4.445 20 5 FIBDRO CC(=O)c1ccc(NCc2ccc(C[NH+]3CCCC3)cc2)c([N+](=O)[O-])c1 ZINC000007366495 568503167 /nfs/dbraw/zinc/50/31/67/568503167.db2.gz GCBCFJCUSKSEOO-UHFFFAOYSA-N 1 0 353.422 4.005 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](c2cccnc2)C(C)C)cc1[N+](=O)[O-] ZINC000154165398 1125503078 /nfs/dbraw/zinc/50/30/78/1125503078.db2.gz FGSFERDRACQHJW-QAPCUYQASA-N 1 0 357.454 4.479 20 5 FIBDRO Cc1noc(C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c2ccccc2)n1 ZINC000763543471 1125557954 /nfs/dbraw/zinc/55/79/54/1125557954.db2.gz IBBKOCBPJVFDFX-MRXNPFEDSA-N 1 0 372.812 4.013 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000163111562 1125657411 /nfs/dbraw/zinc/65/74/11/1125657411.db2.gz KVYSZXQHQITBEX-DLBZAZTESA-N 1 0 374.485 4.022 20 5 FIBDRO C[C@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000183126107 1125755101 /nfs/dbraw/zinc/75/51/01/1125755101.db2.gz MBDRSDAYYBKHDB-ZDUSSCGKSA-N 1 0 370.384 4.067 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC2(CCCCC2)CC1 ZINC000608833440 1079533945 /nfs/dbraw/zinc/53/39/45/1079533945.db2.gz BHHFIBDIVORSOY-UHFFFAOYSA-N 1 0 359.470 4.278 20 5 FIBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cc2ccccc2c2cccnc12 ZINC000071027378 1125772242 /nfs/dbraw/zinc/77/22/42/1125772242.db2.gz SZLAOQIILCGOLJ-UHFFFAOYSA-N 1 0 365.396 4.221 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2ccsc2)CC1 ZINC000186914714 1079743959 /nfs/dbraw/zinc/74/39/59/1079743959.db2.gz CONWQNJNACRGQZ-UHFFFAOYSA-N 1 0 373.478 4.173 20 5 FIBDRO COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000157514049 1079920164 /nfs/dbraw/zinc/92/01/64/1079920164.db2.gz BGXKZBUBNJGSNJ-DLBZAZTESA-N 1 0 369.465 4.089 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000430225837 1080026935 /nfs/dbraw/zinc/02/69/35/1080026935.db2.gz ZDENNQCSFRSBBT-NSHDSACASA-N 1 0 354.328 4.473 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000157669325 1080064965 /nfs/dbraw/zinc/06/49/65/1080064965.db2.gz XJQQBRAYNSJCKQ-KRWDZBQOSA-N 1 0 373.497 4.020 20 5 FIBDRO CCCC[NH+]1CCC(NC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000109359598 1080302841 /nfs/dbraw/zinc/30/28/41/1080302841.db2.gz NSUZGRXMDDPIEA-UHFFFAOYSA-N 1 0 361.489 4.382 20 5 FIBDRO C[C@@H]([NH2+]CCc1ccc(Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000219755482 1080464163 /nfs/dbraw/zinc/46/41/63/1080464163.db2.gz IHGFKRQTLXYGST-SNVBAGLBSA-N 1 0 355.257 4.312 20 5 FIBDRO C[C@@H](c1cccc(C(F)(F)F)c1)N(Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC001167276379 1080940708 /nfs/dbraw/zinc/94/07/08/1080940708.db2.gz KSRNKKHQEFNDQR-NSHDSACASA-N 1 0 368.359 4.073 20 5 FIBDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)ccc2NC1=O ZINC000247205879 1080964710 /nfs/dbraw/zinc/96/47/10/1080964710.db2.gz XMKLDSSLWZFOBA-VFVRVIDISA-N 1 0 369.421 4.116 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3C[C@@H]3Cc3ccccc3)cs2)c1 ZINC000610271242 1080987954 /nfs/dbraw/zinc/98/79/54/1080987954.db2.gz SXAODFUBUQIGLV-QFBILLFUSA-N 1 0 365.458 4.439 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H]3CCC[C@@H]3c3ccccc3)n2)c1 ZINC000133961804 1081104521 /nfs/dbraw/zinc/10/45/21/1081104521.db2.gz NXIIZVLPMBWBHL-MSOLQXFVSA-N 1 0 364.405 4.071 20 5 FIBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177529336 1081226917 /nfs/dbraw/zinc/22/69/17/1081226917.db2.gz LHXMTJKMHJIUJJ-RDTXWAMCSA-N 1 0 364.405 4.023 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCOCc3ccccc3)cs2)c1 ZINC000177581931 1081229639 /nfs/dbraw/zinc/22/96/39/1081229639.db2.gz MOAMWFUMPPJAON-UHFFFAOYSA-N 1 0 369.446 4.025 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2CCCC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC001167342017 1081492457 /nfs/dbraw/zinc/49/24/57/1081492457.db2.gz OLOBIHOSZDVLGZ-UHFFFAOYSA-N 1 0 359.470 4.278 20 5 FIBDRO C[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379656994 1081851650 /nfs/dbraw/zinc/85/16/50/1081851650.db2.gz RDPUZLQPCXDZMT-MAUKXSAKSA-N 1 0 373.884 4.391 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000536870408 1081950441 /nfs/dbraw/zinc/95/04/41/1081950441.db2.gz OSTRVKXSPOLXGQ-SUMWQHHRSA-N 1 0 373.840 4.013 20 5 FIBDRO C[C@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCc2ccccc21 ZINC000537604805 1082099602 /nfs/dbraw/zinc/09/96/02/1082099602.db2.gz DKBBWGFVXKTTBZ-IBGZPJMESA-N 1 0 373.840 4.028 20 5 FIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC001167433372 1082125397 /nfs/dbraw/zinc/12/53/97/1082125397.db2.gz CEFZBHBXLILICZ-KRWDZBQOSA-N 1 0 358.413 4.067 20 5 FIBDRO CC[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1C)c1cccc([N+](=O)[O-])c1 ZINC000177851771 1082209330 /nfs/dbraw/zinc/20/93/30/1082209330.db2.gz BOLJVEXHPNAMFZ-INIZCTEOSA-N 1 0 361.829 4.236 20 5 FIBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cc(C)cnc1F ZINC001211508208 1082305023 /nfs/dbraw/zinc/30/50/23/1082305023.db2.gz DENURCKPVSPMHV-UHFFFAOYSA-N 1 0 362.408 4.087 20 5 FIBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1C[C@H](OCC)C1(C)C ZINC001167446671 1082319270 /nfs/dbraw/zinc/31/92/70/1082319270.db2.gz BZYNZUXGVNVJMS-MSOLQXFVSA-N 1 0 350.459 4.019 20 5 FIBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001167446672 1082319461 /nfs/dbraw/zinc/31/94/61/1082319461.db2.gz BZYNZUXGVNVJMS-QZTJIDSGSA-N 1 0 350.459 4.019 20 5 FIBDRO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000177940024 1082353828 /nfs/dbraw/zinc/35/38/28/1082353828.db2.gz PEBZXJUIONWGGT-XCLFUZPHSA-N 1 0 354.406 4.168 20 5 FIBDRO Cc1cc(N2CCC(F)(c3cccnc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000561323537 1082402628 /nfs/dbraw/zinc/40/26/28/1082402628.db2.gz ZFTLOIANQNFGPU-UHFFFAOYSA-N 1 0 366.396 4.312 20 5 FIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132250 1082738290 /nfs/dbraw/zinc/73/82/90/1082738290.db2.gz VEZKWMBZQUUUKT-TZIWHRDSSA-N 1 0 354.450 4.237 20 5 FIBDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000051283946 1082982521 /nfs/dbraw/zinc/98/25/21/1082982521.db2.gz UUOVZXBBUZQXHE-GOSISDBHSA-N 1 0 356.422 4.258 20 5 FIBDRO CCCOc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000175985108 1083034101 /nfs/dbraw/zinc/03/41/01/1083034101.db2.gz XHWVBBRFXWPDPH-UHFFFAOYSA-N 1 0 358.438 4.417 20 5 FIBDRO O=[N+]([O-])c1cc(F)c(CN[C@H]2CCC[C@H]2OCc2ccccc2)c(F)c1 ZINC000510632679 1083213613 /nfs/dbraw/zinc/21/36/13/1083213613.db2.gz WPPPTMGZROTUHY-RBUKOAKNSA-N 1 0 362.376 4.101 20 5 FIBDRO CCC[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178367183 1083276735 /nfs/dbraw/zinc/27/67/35/1083276735.db2.gz XBGBESCZURNGFX-INIZCTEOSA-N 1 0 359.392 4.052 20 5 FIBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000610741163 1083401474 /nfs/dbraw/zinc/40/14/74/1083401474.db2.gz OXCOCBDYNKIBNN-ZBFHGGJFSA-N 1 0 374.412 4.431 20 5 FIBDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000510956785 1083536275 /nfs/dbraw/zinc/53/62/75/1083536275.db2.gz ANYDDILMXRULIU-ACJLOTCBSA-N 1 0 358.413 4.341 20 5 FIBDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000510980805 1083556798 /nfs/dbraw/zinc/55/67/98/1083556798.db2.gz QYIQAVGHHNYWDJ-MOPGFXCFSA-N 1 0 356.397 4.397 20 5 FIBDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000179535308 1083558193 /nfs/dbraw/zinc/55/81/93/1083558193.db2.gz QLDHYYFZZKJEJT-OAHLLOKOSA-N 1 0 371.437 4.061 20 5 FIBDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000610812890 1083738362 /nfs/dbraw/zinc/73/83/62/1083738362.db2.gz OJKQOUORXZWQGQ-QAPCUYQASA-N 1 0 361.392 4.193 20 5 FIBDRO COc1ccc2c(c1)CC[C@@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC000612419902 1083786428 /nfs/dbraw/zinc/78/64/28/1083786428.db2.gz ZSJWCIMDUBQVMW-CTNGQTDRSA-N 1 0 366.461 4.072 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1OCCOC)c1cccc([N+](=O)[O-])c1 ZINC000167646663 1083935282 /nfs/dbraw/zinc/93/52/82/1083935282.db2.gz PVKPNBFOJKCZJG-LJQANCHMSA-N 1 0 358.438 4.169 20 5 FIBDRO Cc1nc2c(s1)[C@H]([NH2+]CCc1c[nH]c3ccc([N+](=O)[O-])cc13)CCC2 ZINC000584492989 1083960079 /nfs/dbraw/zinc/96/00/79/1083960079.db2.gz BAQOKXTUQZNMOH-MRXNPFEDSA-N 1 0 356.451 4.051 20 5 FIBDRO COc1ccccc1[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])OC(C)C ZINC000472052073 1084189859 /nfs/dbraw/zinc/18/98/59/1084189859.db2.gz BYCZNTUWDAUOFQ-IZUALYBUSA-N 1 0 370.449 4.373 20 5 FIBDRO Cn1c2ccccc2nc1C(C)(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000472078967 1084252334 /nfs/dbraw/zinc/25/23/34/1084252334.db2.gz QVGFBSNWGMJUSF-NTMALXAHSA-N 1 0 350.422 4.020 20 5 FIBDRO CCC[C@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178504192 1084262541 /nfs/dbraw/zinc/26/25/41/1084262541.db2.gz OUGWSJJZCQAKIN-NRFANRHFSA-N 1 0 364.449 4.471 20 5 FIBDRO Cc1cccc(C2=CCN([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000538944737 1084264285 /nfs/dbraw/zinc/26/42/85/1084264285.db2.gz HSMVQTXOILWEBT-MRXNPFEDSA-N 1 0 365.433 4.020 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000157012712 1084294917 /nfs/dbraw/zinc/29/49/17/1084294917.db2.gz QIMONNMWIHAENL-HUUCEWRRSA-N 1 0 369.421 4.272 20 5 FIBDRO CC[C@H]([NH2+]CCCc1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000539056853 1084299834 /nfs/dbraw/zinc/29/98/34/1084299834.db2.gz CKYPGNIFMDGGRI-SFHVURJKSA-N 1 0 356.422 4.040 20 5 FIBDRO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000579971527 1084310133 /nfs/dbraw/zinc/31/01/33/1084310133.db2.gz DVAMIOIZSKJNTM-SUMWQHHRSA-N 1 0 356.422 4.259 20 5 FIBDRO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000157432434 1084380886 /nfs/dbraw/zinc/38/08/86/1084380886.db2.gz UDRRWSFGYQYOCP-KGLIPLIRSA-N 1 0 374.437 4.341 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000580282900 1084403388 /nfs/dbraw/zinc/40/33/88/1084403388.db2.gz PWMLDYLIQXBXBW-OAHLLOKOSA-N 1 0 354.454 4.068 20 5 FIBDRO Cc1ccccc1C[C@H](C)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000580279889 1084403747 /nfs/dbraw/zinc/40/37/47/1084403747.db2.gz VERWYBXHCPSLBV-HNNXBMFYSA-N 1 0 366.421 4.016 20 5 FIBDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000581970715 1084647240 /nfs/dbraw/zinc/64/72/40/1084647240.db2.gz ODQOUTLGMOVDQX-UHFFFAOYSA-N 1 0 356.422 4.246 20 5 FIBDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000582149283 1084667019 /nfs/dbraw/zinc/66/70/19/1084667019.db2.gz FFCHRHDKXOBHJM-UHFFFAOYSA-N 1 0 356.422 4.246 20 5 FIBDRO COc1ccc(C[C@@H]2CCC[N@H+](Cc3ccc(OC)c([N+](=O)[O-])c3)C2)cc1 ZINC000582519999 1084726307 /nfs/dbraw/zinc/72/63/07/1084726307.db2.gz UYWIFRIGBWRVTO-KRWDZBQOSA-N 1 0 370.449 4.067 20 5 FIBDRO COc1ccc(C[C@H]2CCC[N@H+](Cc3ccc(OC)c([N+](=O)[O-])c3)C2)cc1 ZINC000582520000 1084726543 /nfs/dbraw/zinc/72/65/43/1084726543.db2.gz UYWIFRIGBWRVTO-QGZVFWFLSA-N 1 0 370.449 4.067 20 5 FIBDRO CCC[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000414240933 1084898961 /nfs/dbraw/zinc/89/89/61/1084898961.db2.gz FEZJHAWWCXSVAA-FFZOFVMBSA-N 1 0 372.469 4.020 20 5 FIBDRO CCC(=O)c1ccc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000479368239 1085145750 /nfs/dbraw/zinc/14/57/50/1085145750.db2.gz QMJCOIVJNFQPFF-SFHVURJKSA-N 1 0 359.401 4.041 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000479539323 1085204217 /nfs/dbraw/zinc/20/42/17/1085204217.db2.gz RKXBFNGBFSWJDM-VDHUWJSZSA-N 1 0 374.872 4.464 20 5 FIBDRO C[C@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000479561516 1085208565 /nfs/dbraw/zinc/20/85/65/1085208565.db2.gz VJKSHQUHESUIGM-ZDUSSCGKSA-N 1 0 368.355 4.429 20 5 FIBDRO CC(C)COc1ccc(C(C)(C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000549536781 1085466105 /nfs/dbraw/zinc/46/61/05/1085466105.db2.gz XSYZVUHYTHXAHJ-UHFFFAOYSA-N 1 0 358.438 4.360 20 5 FIBDRO C[C@@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178645174 1085554073 /nfs/dbraw/zinc/55/40/73/1085554073.db2.gz MQCADVYVWBYGLV-GFCCVEGCSA-N 1 0 354.328 4.387 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178645796 1085556023 /nfs/dbraw/zinc/55/60/23/1085556023.db2.gz JRJPWHOJQLRYCS-INIZCTEOSA-N 1 0 354.454 4.077 20 5 FIBDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178647441 1085565843 /nfs/dbraw/zinc/56/58/43/1085565843.db2.gz DVIQUPSZDVLMMG-OAHLLOKOSA-N 1 0 357.429 4.049 20 5 FIBDRO COc1ccc2[nH]cc(C3CC[NH+](Cc4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000108970752 1085570365 /nfs/dbraw/zinc/57/03/65/1085570365.db2.gz WTWSRPOOWCNVLR-UHFFFAOYSA-N 1 0 365.433 4.464 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3ccc(F)cc3F)o2)cc1 ZINC000582743861 1085648289 /nfs/dbraw/zinc/64/82/89/1085648289.db2.gz WBTSKZQIELSCGW-UHFFFAOYSA-N 1 0 358.344 4.465 20 5 FIBDRO COc1cccc(NC2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000093342242 1085683650 /nfs/dbraw/zinc/68/36/50/1085683650.db2.gz YCLRQZPJGCXMHY-FNORWQNLSA-N 1 0 367.449 4.193 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(Cc2ccccc2)c1 ZINC000178686632 1085812602 /nfs/dbraw/zinc/81/26/02/1085812602.db2.gz ONIRFYGBTJAGOL-HZPDHXFCSA-N 1 0 350.422 4.251 20 5 FIBDRO CC(C)C[C@@H](CCO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000236753707 1085818073 /nfs/dbraw/zinc/81/80/73/1085818073.db2.gz WKIMSCWUISYOAH-OAHLLOKOSA-N 1 0 362.495 4.458 20 5 FIBDRO CC1(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)COC1 ZINC000112712046 1085951036 /nfs/dbraw/zinc/95/10/36/1085951036.db2.gz UTNIPTPGABULIM-UHFFFAOYSA-N 1 0 362.813 4.167 20 5 FIBDRO CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000112731569 1085952212 /nfs/dbraw/zinc/95/22/12/1085952212.db2.gz ZWCWSJIZNCSOJS-LJQANCHMSA-N 1 0 366.421 4.474 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1Cn1ccnc1)CCC2 ZINC000278209343 1086580965 /nfs/dbraw/zinc/58/09/65/1086580965.db2.gz HPJGJMWGECJKAM-OAQYLSRUSA-N 1 0 362.433 4.007 20 5 FIBDRO O=[N+]([O-])c1cccc2c(N3CCC(CCC[NH+]4CCCC4)CC3)ccnc21 ZINC000432341498 1086633494 /nfs/dbraw/zinc/63/34/94/1086633494.db2.gz AJNPUIYXZWERKP-UHFFFAOYSA-N 1 0 368.481 4.235 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000585765592 1086693096 /nfs/dbraw/zinc/69/30/96/1086693096.db2.gz YABLKJRBYTVFDY-INIZCTEOSA-N 1 0 370.478 4.174 20 5 FIBDRO COc1cccc(C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]2CCCO2)c1 ZINC000512065804 1086727196 /nfs/dbraw/zinc/72/71/96/1086727196.db2.gz BKJZDPZJPHEHIN-FQEVSTJZSA-N 1 0 370.449 4.093 20 5 FIBDRO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000512154513 1086847540 /nfs/dbraw/zinc/84/75/40/1086847540.db2.gz YOPSQRSUKHZXML-QRWLVFNGSA-N 1 0 368.433 4.435 20 5 FIBDRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000512170080 1086875675 /nfs/dbraw/zinc/87/56/75/1086875675.db2.gz BJNDECONPXXMSS-MRXNPFEDSA-N 1 0 369.465 4.318 20 5 FIBDRO Cc1c(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000246101530 1086897143 /nfs/dbraw/zinc/89/71/43/1086897143.db2.gz BWZBKMLQGFNWQL-NVXWUHKLSA-N 1 0 374.485 4.022 20 5 FIBDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000584071243 1087155209 /nfs/dbraw/zinc/15/52/09/1087155209.db2.gz VRVQQXWBEIHPSF-UHFFFAOYSA-N 1 0 360.410 4.066 20 5 FIBDRO CN(C)C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000584223781 1087223362 /nfs/dbraw/zinc/22/33/62/1087223362.db2.gz ZHRUXUTYDCRNQP-PMACEKPBSA-N 1 0 371.456 4.349 20 5 FIBDRO CCC[C@@H]([NH2+]C1CCN(c2cccc(C)n2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000128164803 1087316555 /nfs/dbraw/zinc/31/65/55/1087316555.db2.gz WGMPTTKKQFWXNO-HXUWFJFHSA-N 1 0 368.481 4.398 20 5 FIBDRO C[NH+](C)C1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2F)CC1 ZINC000091480819 1087429936 /nfs/dbraw/zinc/42/99/36/1087429936.db2.gz QVJXVJPBPJXOPR-UHFFFAOYSA-N 1 0 358.417 4.008 20 5 FIBDRO CC(=O)c1ccc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000142826142 1087480639 /nfs/dbraw/zinc/48/06/39/1087480639.db2.gz RZOWSJCCXVWXNM-HNNXBMFYSA-N 1 0 373.478 4.183 20 5 FIBDRO CC[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180529040 1087949972 /nfs/dbraw/zinc/94/99/72/1087949972.db2.gz SQKOHSXJCHAVSV-KRWDZBQOSA-N 1 0 350.365 4.480 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)Oc2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000504900256 1087957134 /nfs/dbraw/zinc/95/71/34/1087957134.db2.gz URUDABLYJBQIQL-HUUCEWRRSA-N 1 0 374.437 4.120 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000504899527 1087969790 /nfs/dbraw/zinc/96/97/90/1087969790.db2.gz IEWMDHKDNRORGS-URLQWDBASA-N 1 0 364.486 4.485 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000504899676 1087970159 /nfs/dbraw/zinc/97/01/59/1087970159.db2.gz KCQLBHHEVMRBQP-GJZGRUSLSA-N 1 0 358.438 4.371 20 5 FIBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1n1ccnc1 ZINC000180609652 1087980996 /nfs/dbraw/zinc/98/09/96/1087980996.db2.gz UPUHRQYIASSOMS-BEFAXECRSA-N 1 0 366.421 4.134 20 5 FIBDRO COC(=O)CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000180667789 1088010912 /nfs/dbraw/zinc/01/09/12/1088010912.db2.gz YWXDTONZXYHJNL-CRAIPNDOSA-N 1 0 356.422 4.248 20 5 FIBDRO CSC1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000180920599 1088165222 /nfs/dbraw/zinc/16/52/22/1088165222.db2.gz QJUMKSRSSNNVOR-LJQANCHMSA-N 1 0 372.490 4.186 20 5 FIBDRO Cc1cc(C)c([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000541005494 1088187488 /nfs/dbraw/zinc/18/74/88/1088187488.db2.gz MYQWPAYOZVCUSN-YQQQUEKLSA-N 1 0 366.465 4.214 20 5 FIBDRO CC(C)c1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000189631390 1088556689 /nfs/dbraw/zinc/55/66/89/1088556689.db2.gz CULQMDYOFVAFOA-RHSMWYFYSA-N 1 0 374.403 4.291 20 5 FIBDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000181452171 1088606776 /nfs/dbraw/zinc/60/67/76/1088606776.db2.gz TWOMPGAMKWCOGG-KBRIMQKVSA-N 1 0 358.442 4.195 20 5 FIBDRO COCC[C@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414477577 1088703932 /nfs/dbraw/zinc/70/39/32/1088703932.db2.gz CRDNLYKQEPNSNV-LBPRGKRZSA-N 1 0 352.818 4.270 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@H](CO)C2)ccc1Oc1ccc(F)cc1 ZINC000414561358 1088815342 /nfs/dbraw/zinc/81/53/42/1088815342.db2.gz BDLMGCRUOUXHLJ-RDJZCZTQSA-N 1 0 374.412 4.167 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H](CO)C3)o2)c(Cl)c1 ZINC000414581235 1088837469 /nfs/dbraw/zinc/83/74/69/1088837469.db2.gz QXRNJYGARFMRTL-OLZOCXBDSA-N 1 0 364.829 4.149 20 5 FIBDRO CC[C@H]([NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])C(C)(C)C ZINC000505481396 1088954128 /nfs/dbraw/zinc/95/41/28/1088954128.db2.gz TZFWESAMKYQIEU-HNNXBMFYSA-N 1 0 360.401 4.162 20 5 FIBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000505598202 1089254001 /nfs/dbraw/zinc/25/40/01/1089254001.db2.gz YFWQYFLPUIDPEP-AAEUAGOBSA-N 1 0 358.385 4.010 20 5 FIBDRO COCC(C)(C)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000430129328 1089372655 /nfs/dbraw/zinc/37/26/55/1089372655.db2.gz RRPCYYOKNYOYDD-UHFFFAOYSA-N 1 0 352.818 4.365 20 5 FIBDRO C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000514894147 1089569590 /nfs/dbraw/zinc/56/95/90/1089569590.db2.gz OVNRPDPMSIRTQU-CHWSQXEVSA-N 1 0 368.462 4.255 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000215993775 1089932760 /nfs/dbraw/zinc/93/27/60/1089932760.db2.gz FJTZOVDABFLHRZ-LJQANCHMSA-N 1 0 373.840 4.236 20 5 FIBDRO CC[C@@H]1C[C@H]1[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000435783081 1089944919 /nfs/dbraw/zinc/94/49/19/1089944919.db2.gz VBADXEGPSRDYLS-NXOUGTEYSA-N 1 0 373.840 4.316 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000468638922 1089982481 /nfs/dbraw/zinc/98/24/81/1089982481.db2.gz DALRROKMJIARCT-SFQUDFHCSA-N 1 0 362.433 4.033 20 5 FIBDRO Cc1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1[N+](=O)[O-] ZINC000103231866 1090072066 /nfs/dbraw/zinc/07/20/66/1090072066.db2.gz ANKDDNFQYRHOAA-QGZVFWFLSA-N 1 0 374.485 4.023 20 5 FIBDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072605894 1090269096 /nfs/dbraw/zinc/26/90/96/1090269096.db2.gz DRRWMGOQWBSXMT-CVEARBPZSA-N 1 0 358.442 4.339 20 5 FIBDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072605904 1090269490 /nfs/dbraw/zinc/26/94/90/1090269490.db2.gz DRRWMGOQWBSXMT-HOTGVXAUSA-N 1 0 358.442 4.339 20 5 FIBDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000120225260 1090295567 /nfs/dbraw/zinc/29/55/67/1090295567.db2.gz STHHRROBBKGCHL-OAHLLOKOSA-N 1 0 364.449 4.307 20 5 FIBDRO O=C(CC[NH2+][C@H](c1ccccc1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000104701894 1090309939 /nfs/dbraw/zinc/30/99/39/1090309939.db2.gz QSAVNASGRWZSLG-HXUWFJFHSA-N 1 0 353.422 4.054 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000378405704 1090350303 /nfs/dbraw/zinc/35/03/03/1090350303.db2.gz SBSACXXEAPOPHA-HXUWFJFHSA-N 1 0 350.422 4.236 20 5 FIBDRO C[N@H+](CC1CC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000053183761 1090352680 /nfs/dbraw/zinc/35/26/80/1090352680.db2.gz ORNNZXMWLOBQPP-SFHVURJKSA-N 1 0 373.840 4.270 20 5 FIBDRO CC[C@]1([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCOC1 ZINC000616487706 1090615368 /nfs/dbraw/zinc/61/53/68/1090615368.db2.gz JWMMBARJJFNPJT-IBGZPJMESA-N 1 0 360.385 4.185 20 5 FIBDRO CCC[C@H]([NH2+][C@@H](CCO)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120270571 1090676804 /nfs/dbraw/zinc/67/68/04/1090676804.db2.gz VQYMNWFRXPQDOV-PMACEKPBSA-N 1 0 358.438 4.158 20 5 FIBDRO CCC(C)(C)[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000236859009 1090701920 /nfs/dbraw/zinc/70/19/20/1090701920.db2.gz SJWZIGGXKBVISH-UHFFFAOYSA-N 1 0 358.438 4.461 20 5 FIBDRO CC(C)c1noc(CCC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000417303126 1090792758 /nfs/dbraw/zinc/79/27/58/1090792758.db2.gz DGFIITITZFOSAO-KRWDZBQOSA-N 1 0 358.442 4.091 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)CCCC2 ZINC000417316012 1090797167 /nfs/dbraw/zinc/79/71/67/1090797167.db2.gz AGQDIAUAMDMSFB-MRXNPFEDSA-N 1 0 363.364 4.149 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)CCCC2 ZINC000417318314 1090798932 /nfs/dbraw/zinc/79/89/32/1090798932.db2.gz YLFMNVVNRDFEKL-WIYYLYMNSA-N 1 0 354.450 4.118 20 5 FIBDRO CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1CCCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000417331910 1090821284 /nfs/dbraw/zinc/82/12/84/1090821284.db2.gz NAVHLQFSYVFXSQ-XLIONFOSSA-N 1 0 368.481 4.287 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cccc(OCC[NH+](C)C)c1 ZINC000468742728 1091016978 /nfs/dbraw/zinc/01/69/78/1091016978.db2.gz JCLPQOWJJNQWEV-VBKFSLOCSA-N 1 0 355.438 4.051 20 5 FIBDRO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000500098155 1091037210 /nfs/dbraw/zinc/03/72/10/1091037210.db2.gz OOJQGVDENZEYAA-KBXCAEBGSA-N 1 0 371.437 4.298 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC(OC4CCC4)CC3)o2)c1 ZINC000418088161 1091054105 /nfs/dbraw/zinc/05/41/05/1091054105.db2.gz FXLIARHLCYPRAS-UHFFFAOYSA-N 1 0 356.422 4.388 20 5 FIBDRO COc1cccc(C2(F)CC[NH+](Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)c1 ZINC000500168429 1091076941 /nfs/dbraw/zinc/07/69/41/1091076941.db2.gz SIJCTFPGRGOUKQ-UHFFFAOYSA-N 1 0 374.412 4.073 20 5 FIBDRO COc1cc(NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000312672167 1091085207 /nfs/dbraw/zinc/08/52/07/1091085207.db2.gz NPCIBZVRBAXWMK-FQEVSTJZSA-N 1 0 373.428 4.067 20 5 FIBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000015141417 1091430549 /nfs/dbraw/zinc/43/05/49/1091430549.db2.gz VEHADYIKSJTIKL-UHFFFAOYSA-N 1 0 370.409 4.101 20 5 FIBDRO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCc3sccc3C2)c(C(F)(F)F)c1 ZINC000511679105 1091529687 /nfs/dbraw/zinc/52/96/87/1091529687.db2.gz DCDRXLGWHILVKE-UHFFFAOYSA-N 1 0 371.384 4.145 20 5 FIBDRO Cc1ccccc1C1(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000467834680 1091795634 /nfs/dbraw/zinc/79/56/34/1091795634.db2.gz MCVOZONBNIJFDN-QGZVFWFLSA-N 1 0 354.450 4.302 20 5 FIBDRO Cc1c(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000500744810 1092483233 /nfs/dbraw/zinc/48/32/33/1092483233.db2.gz FEGWJILVQQUXMF-HNNXBMFYSA-N 1 0 367.449 4.387 20 5 FIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000500771238 1092547753 /nfs/dbraw/zinc/54/77/53/1092547753.db2.gz VDUAATCTZVVGPV-OAHLLOKOSA-N 1 0 353.422 4.079 20 5 FIBDRO CC(C)C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccccc1 ZINC000521177794 1092552923 /nfs/dbraw/zinc/55/29/23/1092552923.db2.gz LDRRCJCIJARTOU-LPHOPBHVSA-N 1 0 369.465 4.090 20 5 FIBDRO Cc1ccc([C@H](CNc2ccc3ncccc3c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000521501847 1092737432 /nfs/dbraw/zinc/73/74/32/1092737432.db2.gz GYZBMDLAZYAKQH-IBGZPJMESA-N 1 0 350.422 4.166 20 5 FIBDRO C[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178658092 1092963065 /nfs/dbraw/zinc/96/30/65/1092963065.db2.gz YKOFKVZVAIDGLF-IUDNXUCKSA-N 1 0 363.458 4.081 20 5 FIBDRO C[NH+](C)[C@H]1CCOc2c(Nc3ccc([N+](=O)[O-])c4cccnc34)cccc21 ZINC000432935991 1092969277 /nfs/dbraw/zinc/96/92/77/1092969277.db2.gz GEZSDXRPHSMUME-KRWDZBQOSA-N 1 0 364.405 4.272 20 5 FIBDRO Cc1ccc2c(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc(=O)oc2c1C ZINC000178681722 1093017668 /nfs/dbraw/zinc/01/76/68/1093017668.db2.gz KMDSCMNJRRQTDM-HNNXBMFYSA-N 1 0 366.417 4.477 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433061446 1093169444 /nfs/dbraw/zinc/16/94/44/1093169444.db2.gz PGNLDSMQXYQTTA-GOSISDBHSA-N 1 0 367.449 4.111 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](c4ccccc4)C3)n2)c1 ZINC000433072068 1093195335 /nfs/dbraw/zinc/19/53/35/1093195335.db2.gz MZBZFYVTMBSLSI-KRWDZBQOSA-N 1 0 364.405 4.024 20 5 FIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1OC(F)(F)F ZINC000522268999 1093254968 /nfs/dbraw/zinc/25/49/68/1093254968.db2.gz ILNFQIXVJZKIGQ-UHFFFAOYSA-N 1 0 354.328 4.168 20 5 FIBDRO COCCNc1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433114270 1093266809 /nfs/dbraw/zinc/26/68/09/1093266809.db2.gz FRISIRAGJCJODG-HXUWFJFHSA-N 1 0 369.465 4.165 20 5 FIBDRO COc1ccc(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1OC ZINC000433122393 1093273414 /nfs/dbraw/zinc/27/34/14/1093273414.db2.gz VRICULBWHVBJBH-SFHVURJKSA-N 1 0 370.449 4.167 20 5 FIBDRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433134589 1093315194 /nfs/dbraw/zinc/31/51/94/1093315194.db2.gz RKUUNQFRWWWDPL-LJQANCHMSA-N 1 0 353.422 4.065 20 5 FIBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433137688 1093322299 /nfs/dbraw/zinc/32/22/99/1093322299.db2.gz UVNIMIRHJBUOAK-KKSFZXQISA-N 1 0 365.477 4.433 20 5 FIBDRO CN(C)[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000433141538 1093325724 /nfs/dbraw/zinc/32/57/24/1093325724.db2.gz AKZKSISAWAIKLW-QZTJIDSGSA-N 1 0 359.495 4.271 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1OC ZINC000433141779 1093328498 /nfs/dbraw/zinc/32/84/98/1093328498.db2.gz BIOMCEKWWKZREG-QGZVFWFLSA-N 1 0 356.422 4.124 20 5 FIBDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2-n2cccn2)c2cc([N+](=O)[O-])ccc21 ZINC000433165207 1093354112 /nfs/dbraw/zinc/35/41/12/1093354112.db2.gz UGBSGQHQWBUOSD-IBGZPJMESA-N 1 0 362.433 4.293 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)c(Cl)c1 ZINC000433193342 1093396337 /nfs/dbraw/zinc/39/63/37/1093396337.db2.gz PVJIWXJUQUBHCJ-HNNXBMFYSA-N 1 0 359.857 4.254 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000474152574 1093470548 /nfs/dbraw/zinc/47/05/48/1093470548.db2.gz IKBPTSJLNFRIGS-GOSISDBHSA-N 1 0 363.845 4.109 20 5 FIBDRO Cc1ccnc(NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000522408660 1093500905 /nfs/dbraw/zinc/50/09/05/1093500905.db2.gz KDQUBOXYFYZDFF-UHFFFAOYSA-N 1 0 374.872 4.276 20 5 FIBDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000512886378 1093508740 /nfs/dbraw/zinc/50/87/40/1093508740.db2.gz XXDVIBHPEBKJHH-STQMWFEESA-N 1 0 364.829 4.270 20 5 FIBDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000512886377 1093509517 /nfs/dbraw/zinc/50/95/17/1093509517.db2.gz XXDVIBHPEBKJHH-QWHCGFSZSA-N 1 0 364.829 4.270 20 5 FIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000237300155 1093521020 /nfs/dbraw/zinc/52/10/20/1093521020.db2.gz YFCMBWCAUDOTKR-KBPBESRZSA-N 1 0 367.405 4.409 20 5 FIBDRO Cc1ccnc(NCc2cccc(C[NH+]3CCCCCC3)c2)c1[N+](=O)[O-] ZINC000522416400 1093525247 /nfs/dbraw/zinc/52/52/47/1093525247.db2.gz DTNJJIBSCGDVJJ-UHFFFAOYSA-N 1 0 354.454 4.286 20 5 FIBDRO CC1(C)C[C@H]([NH2+][C@H]2CCCC[C@H]2n2cccn2)c2cc([N+](=O)[O-])ccc21 ZINC000433296069 1093562926 /nfs/dbraw/zinc/56/29/26/1093562926.db2.gz RCNGUPQTOITOJI-GBESFXJTSA-N 1 0 354.454 4.287 20 5 FIBDRO CC[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1c(C)nn(C)c1C ZINC000433307250 1093573659 /nfs/dbraw/zinc/57/36/59/1093573659.db2.gz UUYNKWIHIUWXBB-QZTJIDSGSA-N 1 0 356.470 4.408 20 5 FIBDRO CCc1ccc([C@H](NCCOC2CCCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544363704 1093715815 /nfs/dbraw/zinc/71/58/15/1093715815.db2.gz VOTOXJSQWVZGGT-HXUWFJFHSA-N 1 0 358.438 4.388 20 5 FIBDRO COc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000151692362 1093846497 /nfs/dbraw/zinc/84/64/97/1093846497.db2.gz GXVGIASOPTVODA-NSHDSACASA-N 1 0 352.337 4.056 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000120643869 1093908377 /nfs/dbraw/zinc/90/83/77/1093908377.db2.gz VIWAETSVFNFUFF-UXHICEINSA-N 1 0 370.449 4.312 20 5 FIBDRO C[C@@H](c1ccsc1)N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473520096 1093970969 /nfs/dbraw/zinc/97/09/69/1093970969.db2.gz IELYFTVCANHDKZ-AWEZNQCLSA-N 1 0 368.462 4.088 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000178869491 1093972327 /nfs/dbraw/zinc/97/23/27/1093972327.db2.gz MVFVXXIWXZYKRT-NHCUHLMSSA-N 1 0 366.392 4.147 20 5 FIBDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000513256249 1094039146 /nfs/dbraw/zinc/03/91/46/1094039146.db2.gz KQNPVTOAACKDIR-RDTXWAMCSA-N 1 0 364.405 4.228 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000513267016 1094040551 /nfs/dbraw/zinc/04/05/51/1094040551.db2.gz NJFIHXJWOODKLH-QRWLVFNGSA-N 1 0 367.449 4.315 20 5 FIBDRO COc1ccccc1O[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000513367752 1094083431 /nfs/dbraw/zinc/08/34/31/1094083431.db2.gz RLBSUETUUNWFKO-QAPCUYQASA-N 1 0 356.422 4.208 20 5 FIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000182643038 1094157339 /nfs/dbraw/zinc/15/73/39/1094157339.db2.gz BXLLKGPFFIAVPF-ZDUSSCGKSA-N 1 0 353.378 4.020 20 5 FIBDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000513507437 1094168600 /nfs/dbraw/zinc/16/86/00/1094168600.db2.gz ULDFIWMOTBZTDR-IHHFWDAISA-N 1 0 352.862 4.010 20 5 FIBDRO COc1cc(C[NH2+]CCC2=CCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000513538914 1094210288 /nfs/dbraw/zinc/21/02/88/1094210288.db2.gz NJCCSLZWPGWYFQ-UHFFFAOYSA-N 1 0 374.359 4.135 20 5 FIBDRO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000513665365 1094271985 /nfs/dbraw/zinc/27/19/85/1094271985.db2.gz DVTVGPGWDCOBBH-OAHLLOKOSA-N 1 0 362.433 4.115 20 5 FIBDRO CC[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000236994918 1094362625 /nfs/dbraw/zinc/36/26/25/1094362625.db2.gz VLVQOPRYAIYCJY-INIZCTEOSA-N 1 0 364.449 4.279 20 5 FIBDRO Cc1cc(C)cc([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000501014957 1094433484 /nfs/dbraw/zinc/43/34/84/1094433484.db2.gz OMLPTIIUPSUMLO-QGZVFWFLSA-N 1 0 367.449 4.030 20 5 FIBDRO C[C@@H](CN(C)C)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000519550343 1094473238 /nfs/dbraw/zinc/47/32/38/1094473238.db2.gz CWJQCTHUDMFWEP-ZDUSSCGKSA-N 1 0 363.845 4.080 20 5 FIBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000501089500 1094489786 /nfs/dbraw/zinc/48/97/86/1094489786.db2.gz KHADGDKHWRMSOG-OAHLLOKOSA-N 1 0 371.437 4.015 20 5 FIBDRO C[C@@H](Nc1nccc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000413252033 1094801574 /nfs/dbraw/zinc/80/15/74/1094801574.db2.gz YLGPJRSFTJMAFD-GDBMZVCRSA-N 1 0 354.454 4.208 20 5 FIBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000501868927 1094981525 /nfs/dbraw/zinc/98/15/25/1094981525.db2.gz HFGDHVKMVZVFRB-UHFFFAOYSA-N 1 0 365.433 4.335 20 5 FIBDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000183552307 1095522287 /nfs/dbraw/zinc/52/22/87/1095522287.db2.gz UVODULJUPPLSGM-ZIAGYGMSSA-N 1 0 367.405 4.327 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000544374273 1095609351 /nfs/dbraw/zinc/60/93/51/1095609351.db2.gz FUQRHKQAJMFVQU-HRCADAONSA-N 1 0 352.500 4.260 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000502583002 1095612486 /nfs/dbraw/zinc/61/24/86/1095612486.db2.gz VQJHAKOPFNFTOE-FQEVSTJZSA-N 1 0 373.428 4.358 20 5 FIBDRO COc1ccc(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000513753936 1095792841 /nfs/dbraw/zinc/79/28/41/1095792841.db2.gz HCDXZAXQZHKHLO-UHFFFAOYSA-N 1 0 370.327 4.134 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503376149 1096378005 /nfs/dbraw/zinc/37/80/05/1096378005.db2.gz NMPCOVVLNRHGNI-MRXNPFEDSA-N 1 0 351.450 4.183 20 5 FIBDRO CCS[C@@H]1CCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000503523691 1096450542 /nfs/dbraw/zinc/45/05/42/1096450542.db2.gz QZJKSDOTCAKOJS-NVXWUHKLSA-N 1 0 361.467 4.056 20 5 FIBDRO [NH3+]C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2ccccc2c1 ZINC000423400117 1096667626 /nfs/dbraw/zinc/66/76/26/1096667626.db2.gz PYLRTBQAFWGVOY-VXKWHMMOSA-N 1 0 361.445 4.415 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)cccc1[N+](=O)[O-] ZINC000423432206 1096684278 /nfs/dbraw/zinc/68/42/78/1096684278.db2.gz JEOGMNKJGFXPOI-CXAGYDPISA-N 1 0 355.438 4.438 20 5 FIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c1 ZINC000533100554 1098760491 /nfs/dbraw/zinc/76/04/91/1098760491.db2.gz JPSAWOSONSUWIU-AWEZNQCLSA-N 1 0 355.369 4.255 20 5 FIBDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130252763 1098879010 /nfs/dbraw/zinc/87/90/10/1098879010.db2.gz RAMLCQMUDHXHBV-URKNILKWSA-N 1 0 357.454 4.132 20 5 FIBDRO C[C@@H](Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000436330642 1098933940 /nfs/dbraw/zinc/93/39/40/1098933940.db2.gz MCIAMLOULOHRGQ-VXGBXAGGSA-N 1 0 372.391 4.074 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000533435534 1099056076 /nfs/dbraw/zinc/05/60/76/1099056076.db2.gz IAOYKGHLJPDULI-SJLPKXTDSA-N 1 0 367.449 4.110 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCOc2ncccc2F)s1 ZINC000533466272 1099075873 /nfs/dbraw/zinc/07/58/73/1099075873.db2.gz NTIKPELZZZNIRA-UHFFFAOYSA-N 1 0 373.409 4.026 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COc2ccccc21 ZINC000516340177 1099384713 /nfs/dbraw/zinc/38/47/13/1099384713.db2.gz LNEZBDHOWPOZTP-HUUCEWRRSA-N 1 0 358.463 4.231 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000516618519 1099659692 /nfs/dbraw/zinc/65/96/92/1099659692.db2.gz RWOGKJNJLRATSK-CYBMUJFWSA-N 1 0 361.829 4.248 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000467354186 1099735684 /nfs/dbraw/zinc/73/56/84/1099735684.db2.gz MACYEZRUWNRMNU-RDJZCZTQSA-N 1 0 355.438 4.123 20 5 FIBDRO COc1ccc(OC2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000516724876 1099746443 /nfs/dbraw/zinc/74/64/43/1099746443.db2.gz WWUKMSHYXFZNKC-HNNXBMFYSA-N 1 0 356.422 4.208 20 5 FIBDRO COc1ccc(OC2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000516724877 1099746691 /nfs/dbraw/zinc/74/66/91/1099746691.db2.gz WWUKMSHYXFZNKC-OAHLLOKOSA-N 1 0 356.422 4.208 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1)C(C)C ZINC000508778674 1100061692 /nfs/dbraw/zinc/06/16/92/1100061692.db2.gz NLJLXIOBYAJKTC-UHFFFAOYSA-N 1 0 371.437 4.086 20 5 FIBDRO CCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000517124073 1100092616 /nfs/dbraw/zinc/09/26/16/1100092616.db2.gz MAIRGSJOPZZJPG-UTKZUKDTSA-N 1 0 353.466 4.252 20 5 FIBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)C1 ZINC000536658446 1100113609 /nfs/dbraw/zinc/11/36/09/1100113609.db2.gz AFJUUUKJYSLQQI-BEFAXECRSA-N 1 0 357.454 4.017 20 5 FIBDRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000536829545 1100328346 /nfs/dbraw/zinc/32/83/46/1100328346.db2.gz ZAVMTRGJLVSUQZ-ZBFHGGJFSA-N 1 0 372.465 4.450 20 5 FIBDRO COc1ccccc1OC[C@@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000536852171 1100365137 /nfs/dbraw/zinc/36/51/37/1100365137.db2.gz MCDLOOHITZDIPQ-HOCLYGCPSA-N 1 0 358.438 4.278 20 5 FIBDRO COc1cc(C[NH2+]CCC2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237144061 1100432095 /nfs/dbraw/zinc/43/20/95/1100432095.db2.gz ZDUANYOQEBHHGM-UHFFFAOYSA-N 1 0 356.422 4.072 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCOC(C)(C)C)cc1[N+](=O)[O-] ZINC000517535247 1100472428 /nfs/dbraw/zinc/47/24/28/1100472428.db2.gz DRURJOHAKVMPBW-UHFFFAOYSA-N 1 0 357.454 4.267 20 5 FIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCCC[C@H]1C ZINC000517535986 1100473822 /nfs/dbraw/zinc/47/38/22/1100473822.db2.gz SDRQPFVVYTVTAP-CVEARBPZSA-N 1 0 357.454 4.207 20 5 FIBDRO C[C@H]([NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCCC1)c1ccccc1 ZINC000517621356 1100554330 /nfs/dbraw/zinc/55/43/30/1100554330.db2.gz MRAAKIRKWLUDIJ-AWEZNQCLSA-N 1 0 373.478 4.050 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)Cc2ccccc2)s1 ZINC000438361758 1100618213 /nfs/dbraw/zinc/61/82/13/1100618213.db2.gz YZWQAUYWAHYGPD-INIZCTEOSA-N 1 0 368.458 4.017 20 5 FIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000426037115 1100697420 /nfs/dbraw/zinc/69/74/20/1100697420.db2.gz QZDQEEIPVWGBDE-NWDGAFQWSA-N 1 0 361.364 4.023 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cccc(OC3CCCC3)c2)cc1 ZINC000518302930 1101077124 /nfs/dbraw/zinc/07/71/24/1101077124.db2.gz QISVLYIKTLLAHL-UHFFFAOYSA-N 1 0 356.422 4.085 20 5 FIBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(C)C ZINC000518523568 1101280254 /nfs/dbraw/zinc/28/02/54/1101280254.db2.gz GZJKLINRFPCLFF-CQSZACIVSA-N 1 0 370.881 4.126 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000439312458 1101325252 /nfs/dbraw/zinc/32/52/52/1101325252.db2.gz FDJUYLGLSILTPI-AEFFLSMTSA-N 1 0 367.449 4.110 20 5 FIBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000537075011 1101439629 /nfs/dbraw/zinc/43/96/29/1101439629.db2.gz DGQMESZWEXTULV-INIZCTEOSA-N 1 0 372.318 4.396 20 5 FIBDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000537086352 1101453080 /nfs/dbraw/zinc/45/30/80/1101453080.db2.gz NZGOZCUPSVQMFJ-GOSISDBHSA-N 1 0 361.829 4.174 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCCOCc3ccccc3)CC2)cc1 ZINC000518745960 1101512723 /nfs/dbraw/zinc/51/27/23/1101512723.db2.gz BHXSLLJAEHQSRB-UHFFFAOYSA-N 1 0 370.449 4.045 20 5 FIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cc2cccc(F)c2o1 ZINC000475726574 1101521394 /nfs/dbraw/zinc/52/13/94/1101521394.db2.gz UPLTWMCYJPPGPF-LBPRGKRZSA-N 1 0 371.368 4.160 20 5 FIBDRO C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000455850253 1101581088 /nfs/dbraw/zinc/58/10/88/1101581088.db2.gz KQAJSQKBNWSHFA-SCLBCKFNSA-N 1 0 368.437 4.026 20 5 FIBDRO FC1(F)C[NH2+]C[C@H]1Cc1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001211910493 1101648174 /nfs/dbraw/zinc/64/81/74/1101648174.db2.gz DYRSPWCJWWYMNI-CQSZACIVSA-N 1 0 365.383 4.440 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000190946395 1101720917 /nfs/dbraw/zinc/72/09/17/1101720917.db2.gz FYZKGCMGECFBIU-UHFFFAOYSA-N 1 0 354.328 4.220 20 5 FIBDRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000532398751 1101949992 /nfs/dbraw/zinc/94/99/92/1101949992.db2.gz UWCJAMALHOJMBG-HXUWFJFHSA-N 1 0 368.433 4.415 20 5 FIBDRO C[N@H+](Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000532398970 1101950870 /nfs/dbraw/zinc/95/08/70/1101950870.db2.gz RHKOPDRNPSRMHQ-UHFFFAOYSA-N 1 0 368.437 4.007 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N(C)C)cc1[N+](=O)[O-] ZINC000152582012 1102053818 /nfs/dbraw/zinc/05/38/18/1102053818.db2.gz HSIKDBOTXBFVQQ-BBRMVZONSA-N 1 0 363.483 4.009 20 5 FIBDRO Cc1ccccc1CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237726755 1102130282 /nfs/dbraw/zinc/13/02/82/1102130282.db2.gz WSLDWUPAVDHCDN-UHFFFAOYSA-N 1 0 353.447 4.359 20 5 FIBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2)C1 ZINC000121842660 1102255494 /nfs/dbraw/zinc/25/54/94/1102255494.db2.gz BCZVQQPPDCQMMP-AWEZNQCLSA-N 1 0 371.412 4.218 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2)s1 ZINC000237967776 1102375661 /nfs/dbraw/zinc/37/56/61/1102375661.db2.gz OSTZMXDZURIZTC-INIZCTEOSA-N 1 0 368.458 4.017 20 5 FIBDRO CCC[C@@H]([NH2+]CCc1cccc(OC)c1OC)c1cccc([N+](=O)[O-])c1 ZINC000532476523 1102421879 /nfs/dbraw/zinc/42/18/79/1102421879.db2.gz MEPWFCAYBATLRA-GOSISDBHSA-N 1 0 358.438 4.286 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](c1ccccc1)C(C)C ZINC000026266695 1102548293 /nfs/dbraw/zinc/54/82/93/1102548293.db2.gz WBTRZFNWFCNCJE-FQEVSTJZSA-N 1 0 355.438 4.219 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3Br)cc1[N+](=O)[O-] ZINC000237798707 1102630759 /nfs/dbraw/zinc/63/07/59/1102630759.db2.gz QRIFYBIPIJDADB-MRXNPFEDSA-N 1 0 361.239 4.443 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cc(C(F)(F)F)ccn2)cc1[N+](=O)[O-] ZINC000550887386 1102660030 /nfs/dbraw/zinc/66/00/30/1102660030.db2.gz VKHGITPAQQSLSA-GFCCVEGCSA-N 1 0 353.344 4.210 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000550894086 1102669308 /nfs/dbraw/zinc/66/93/08/1102669308.db2.gz BAZUXZXIRFMUBD-LLVKDONJSA-N 1 0 354.328 4.495 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000537651177 1102714493 /nfs/dbraw/zinc/71/44/93/1102714493.db2.gz ZJGWZLNDHCEWHC-SMTIMMHKSA-N 1 0 352.434 4.147 20 5 FIBDRO CO[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 ZINC000550275645 1102913630 /nfs/dbraw/zinc/91/36/30/1102913630.db2.gz BRCUEFRWUGFEBI-KRWDZBQOSA-N 1 0 350.802 4.023 20 5 FIBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(OCC(F)F)c2)cccc1[N+](=O)[O-] ZINC000089543288 1102981922 /nfs/dbraw/zinc/98/19/22/1102981922.db2.gz VEBIIXFUVCYIBP-ZDUSSCGKSA-N 1 0 350.365 4.398 20 5 FIBDRO Cc1ccccc1[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000507166506 1103167115 /nfs/dbraw/zinc/16/71/15/1103167115.db2.gz WYROIMAINLSXIE-KRWDZBQOSA-N 1 0 367.449 4.030 20 5 FIBDRO CCOCc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1OC ZINC000507153693 1103171093 /nfs/dbraw/zinc/17/10/93/1103171093.db2.gz DNWJTFZXGCQEFG-UHFFFAOYSA-N 1 0 370.449 4.305 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(OC)ccc2OC)cc1[N+](=O)[O-] ZINC000152634057 1103248035 /nfs/dbraw/zinc/24/80/35/1103248035.db2.gz USYDLLVJXZKYFB-ZIAGYGMSSA-N 1 0 374.437 4.423 20 5 FIBDRO COc1ccc(C[N@H+](C)[C@H](C)C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000507432604 1103384959 /nfs/dbraw/zinc/38/49/59/1103384959.db2.gz INBRUESQMSLSEL-OAHLLOKOSA-N 1 0 370.449 4.413 20 5 FIBDRO CCSc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000507554453 1103478810 /nfs/dbraw/zinc/47/88/10/1103478810.db2.gz RPMANJIGUWUQPB-ZIAGYGMSSA-N 1 0 373.478 4.385 20 5 FIBDRO CCSc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000507548208 1103488145 /nfs/dbraw/zinc/48/81/45/1103488145.db2.gz JTCUGJCSIMKDTB-KGLIPLIRSA-N 1 0 373.478 4.385 20 5 FIBDRO Cc1cc([C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)ccc1F ZINC000538319613 1104134257 /nfs/dbraw/zinc/13/42/57/1104134257.db2.gz CNBRVUJUTUBKMU-HXUWFJFHSA-N 1 0 371.412 4.030 20 5 FIBDRO CN(C)[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccco1 ZINC000237173229 1104753164 /nfs/dbraw/zinc/75/31/64/1104753164.db2.gz FEDYMHSBNBNROK-KRWDZBQOSA-N 1 0 371.462 4.309 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248408606 1104878989 /nfs/dbraw/zinc/87/89/89/1104878989.db2.gz CEPJUHIPPGBYCA-IUODEOHRSA-N 1 0 368.359 4.208 20 5 FIBDRO CC(C)C[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000507767142 1104936692 /nfs/dbraw/zinc/93/66/92/1104936692.db2.gz AXOJCAUFNZVHRA-UHFFFAOYSA-N 1 0 356.422 4.120 20 5 FIBDRO COc1cc(F)c([C@H](C)N[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000574703005 1105024437 /nfs/dbraw/zinc/02/44/37/1105024437.db2.gz KFWQZOFYYZMOAX-ZBEGNZNMSA-N 1 0 360.385 4.089 20 5 FIBDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4ccc([N+](=O)[O-])cc4)C3)nc2c1 ZINC000536472957 1105152303 /nfs/dbraw/zinc/15/23/03/1105152303.db2.gz RQQOHXWTECYZBN-INIZCTEOSA-N 1 0 350.422 4.159 20 5 FIBDRO C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000520747959 1105193039 /nfs/dbraw/zinc/19/30/39/1105193039.db2.gz QWQMPFCUXFNOEI-ZDUSSCGKSA-N 1 0 368.462 4.063 20 5 FIBDRO CC(C)c1ccc(C[NH2+]CCc2ccn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000507942831 1105279072 /nfs/dbraw/zinc/27/90/72/1105279072.db2.gz UOYHAHGQFDALSS-UHFFFAOYSA-N 1 0 364.449 4.236 20 5 FIBDRO C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000427896996 1105307246 /nfs/dbraw/zinc/30/72/46/1105307246.db2.gz WRFPNZPKAXPXGD-KGLIPLIRSA-N 1 0 368.462 4.185 20 5 FIBDRO COc1cccc(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000475385744 1106795119 /nfs/dbraw/zinc/79/51/19/1106795119.db2.gz BMGXVPQORSVHMM-HNNXBMFYSA-N 1 0 355.438 4.241 20 5 FIBDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000451107198 1106925636 /nfs/dbraw/zinc/92/56/36/1106925636.db2.gz YQNQVYFSUQZXLQ-STQMWFEESA-N 1 0 361.829 4.234 20 5 FIBDRO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451107183 1106925740 /nfs/dbraw/zinc/92/57/40/1106925740.db2.gz YNEAYCQESTTXSV-QWHCGFSZSA-N 1 0 361.829 4.234 20 5 FIBDRO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451109022 1106927227 /nfs/dbraw/zinc/92/72/27/1106927227.db2.gz XLMMQUFGIYSNBQ-DLBZAZTESA-N 1 0 369.465 4.071 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000451113891 1106928032 /nfs/dbraw/zinc/92/80/32/1106928032.db2.gz LFIUKTRETVONJA-KGLIPLIRSA-N 1 0 353.422 4.150 20 5 FIBDRO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451102847 1106933192 /nfs/dbraw/zinc/93/31/92/1106933192.db2.gz FGXXGKDOBRUDPY-STQMWFEESA-N 1 0 361.829 4.234 20 5 FIBDRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451144604 1106945144 /nfs/dbraw/zinc/94/51/44/1106945144.db2.gz IVXQJUNNQBHBTG-HBNTYKKESA-N 1 0 356.348 4.022 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000530366106 1106986876 /nfs/dbraw/zinc/98/68/76/1106986876.db2.gz JGXOHOKLQYFAFL-KRWDZBQOSA-N 1 0 353.466 4.470 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000451358071 1107051069 /nfs/dbraw/zinc/05/10/69/1107051069.db2.gz ZQLCWKXOLAVBEB-UAGQMJEPSA-N 1 0 372.387 4.129 20 5 FIBDRO CC[C@@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[NH+](CC)CC ZINC000530585016 1107161190 /nfs/dbraw/zinc/16/11/90/1107161190.db2.gz RKGGJPOKEXSPEB-IBGZPJMESA-N 1 0 371.437 4.446 20 5 FIBDRO Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451542826 1107161447 /nfs/dbraw/zinc/16/14/47/1107161447.db2.gz AJJDXQHVGXYMRM-GOSISDBHSA-N 1 0 367.449 4.111 20 5 FIBDRO CSc1ccc(-c2nc(-c3ccc(C[NH+](C)C)cc3)no2)cc1[N+](=O)[O-] ZINC000530632468 1107196282 /nfs/dbraw/zinc/19/62/82/1107196282.db2.gz LCWHAHBJRZLCGR-UHFFFAOYSA-N 1 0 370.434 4.095 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451856729 1107345449 /nfs/dbraw/zinc/34/54/49/1107345449.db2.gz PVRAGHJMBZJKIY-LJQANCHMSA-N 1 0 369.421 4.052 20 5 FIBDRO C[NH+](C)Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC000530871716 1107377908 /nfs/dbraw/zinc/37/79/08/1107377908.db2.gz GEQZMJSKWUFRMG-UHFFFAOYSA-N 1 0 358.785 4.027 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000530965261 1107427772 /nfs/dbraw/zinc/42/77/72/1107427772.db2.gz KMAPEOGGHPZZEO-XJKSGUPXSA-N 1 0 373.840 4.013 20 5 FIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452044519 1107441638 /nfs/dbraw/zinc/44/16/38/1107441638.db2.gz JCAXLKYKWSTQGN-BEHZHLIESA-N 1 0 368.437 4.074 20 5 FIBDRO COc1cccc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000475503495 1107590398 /nfs/dbraw/zinc/59/03/98/1107590398.db2.gz NIDRHIQKNWILHX-GUYCJALGSA-N 1 0 361.467 4.160 20 5 FIBDRO COc1cccc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000475503493 1107591547 /nfs/dbraw/zinc/59/15/47/1107591547.db2.gz NIDRHIQKNWILHX-CXAGYDPISA-N 1 0 361.467 4.160 20 5 FIBDRO CN(C)c1ccccc1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000531349893 1107792162 /nfs/dbraw/zinc/79/21/62/1107792162.db2.gz CBXRUDXEJCTESY-UHFFFAOYSA-N 1 0 351.406 4.211 20 5 FIBDRO CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000531443419 1107903411 /nfs/dbraw/zinc/90/34/11/1107903411.db2.gz XEIQSTGMJXUURD-HUUCEWRRSA-N 1 0 355.438 4.143 20 5 FIBDRO Cc1ccc(C[NH2+]CCc2nc3cc(Cl)ccc3s2)cc1[N+](=O)[O-] ZINC000531524911 1107949267 /nfs/dbraw/zinc/94/92/67/1107949267.db2.gz XMBGGOZSNMOXEG-UHFFFAOYSA-N 1 0 361.854 4.499 20 5 FIBDRO CC(C)(CC[NH2+]Cc1c2ccccc2cc2ccccc21)S(C)(=O)=O ZINC000840960063 1108008168 /nfs/dbraw/zinc/00/81/68/1108008168.db2.gz DDAKHRAYINKABH-UHFFFAOYSA-N 1 0 355.503 4.296 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)s1 ZINC000531609422 1108008586 /nfs/dbraw/zinc/00/85/86/1108008586.db2.gz JYXDKQNEYQHGFV-YXJHDRRASA-N 1 0 358.463 4.371 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOc3ccc(F)cc3)o2)cc1 ZINC000520206052 1108020691 /nfs/dbraw/zinc/02/06/91/1108020691.db2.gz TZKXEQXTVFIYIG-UHFFFAOYSA-N 1 0 356.353 4.163 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)N1CCc2sccc2C1 ZINC000531698425 1108078092 /nfs/dbraw/zinc/07/80/92/1108078092.db2.gz AWKPAJNZOOXLGR-HUUCEWRRSA-N 1 0 359.495 4.062 20 5 FIBDRO Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)sc1Br ZINC000531702465 1108082560 /nfs/dbraw/zinc/08/25/60/1108082560.db2.gz YRNLFTGAXBDYTC-UHFFFAOYSA-N 1 0 355.257 4.060 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]4OCC[C@@H]43)s2)cc1 ZINC000531864607 1108290045 /nfs/dbraw/zinc/29/00/45/1108290045.db2.gz QDOJSSKPTXFNTH-KZNAEPCWSA-N 1 0 358.463 4.371 20 5 FIBDRO CCOC(=O)[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000453231780 1108307089 /nfs/dbraw/zinc/30/70/89/1108307089.db2.gz UFCLNNNOOMTRJJ-GKCIPKSASA-N 1 0 368.433 4.427 20 5 FIBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000453381059 1108467937 /nfs/dbraw/zinc/46/79/37/1108467937.db2.gz LAYRXXDVMHSDJC-VOBQZIQPSA-N 1 0 367.449 4.222 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000453569478 1108602987 /nfs/dbraw/zinc/60/29/87/1108602987.db2.gz ALBQAXYLMHMLRM-VMPITWQZSA-N 1 0 364.445 4.172 20 5 FIBDRO CC(C)(O)C[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CC1 ZINC000428407217 1108833297 /nfs/dbraw/zinc/83/32/97/1108833297.db2.gz WCOQXWORMSLNEF-UHFFFAOYSA-N 1 0 374.412 4.262 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000152209067 1109207112 /nfs/dbraw/zinc/20/71/12/1109207112.db2.gz MVTSCNDNRFQSTR-SNVBAGLBSA-N 1 0 359.373 4.272 20 5 FIBDRO Cc1cn2c(n1)[C@@H](C[NH2+]Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CCC2 ZINC000525181814 1109293860 /nfs/dbraw/zinc/29/38/60/1109293860.db2.gz SOIAYVFTOHNJJK-MRXNPFEDSA-N 1 0 366.421 4.027 20 5 FIBDRO C[C@H](CCO)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000525194981 1109298642 /nfs/dbraw/zinc/29/86/42/1109298642.db2.gz XPGLEKHUWWNWRB-CYBMUJFWSA-N 1 0 364.829 4.149 20 5 FIBDRO C[C@H](OCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447517872 1109558731 /nfs/dbraw/zinc/55/87/31/1109558731.db2.gz UWVUXOSUCJMANC-QXAKKESOSA-N 1 0 372.469 4.033 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCSc2ccccc2)n1 ZINC000447518753 1109559524 /nfs/dbraw/zinc/55/95/24/1109559524.db2.gz WTUYTHWROKGSIJ-IAGOWNOFSA-N 1 0 360.483 4.047 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000525951747 1109561382 /nfs/dbraw/zinc/56/13/82/1109561382.db2.gz DPFAJFVHFOZRKU-QWHCGFSZSA-N 1 0 369.446 4.487 20 5 FIBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)Sc1ccccc1 ZINC000447530712 1109564086 /nfs/dbraw/zinc/56/40/86/1109564086.db2.gz PDLIRDDUZSHROJ-OIISXLGYSA-N 1 0 360.483 4.045 20 5 FIBDRO COc1ccccc1O[C@@H](C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447531691 1109569142 /nfs/dbraw/zinc/56/91/42/1109569142.db2.gz SMPKVGZZYBHOSL-KBXCAEBGSA-N 1 0 356.422 4.038 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C(F)(F)F)n1 ZINC000447537659 1109571835 /nfs/dbraw/zinc/57/18/35/1109571835.db2.gz XPFPUDLOUBEGGQ-CABCVRRESA-N 1 0 368.359 4.084 20 5 FIBDRO COc1ccc([C@H](C)CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447537825 1109571927 /nfs/dbraw/zinc/57/19/27/1109571927.db2.gz YVJMOMIXBZLGTH-AYOQOUSVSA-N 1 0 372.469 4.067 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cccc3ccccc32)n1 ZINC000447542323 1109573339 /nfs/dbraw/zinc/57/33/39/1109573339.db2.gz OPBZKFIHVWOZLD-MOPGFXCFSA-N 1 0 350.422 4.218 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](OCC)c2ccccc2)cc1[N+](=O)[O-] ZINC000447570102 1109577601 /nfs/dbraw/zinc/57/76/01/1109577601.db2.gz FMDJNKWYRYNMQJ-FOIQADDNSA-N 1 0 358.438 4.422 20 5 FIBDRO Cc1ccc([C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)N2CCCC2)o1 ZINC000447564229 1109583576 /nfs/dbraw/zinc/58/35/76/1109583576.db2.gz VYHIGAORAWKVTB-UXHICEINSA-N 1 0 369.465 4.300 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCc2ccc(Cl)cc2)n1 ZINC000447584103 1109587096 /nfs/dbraw/zinc/58/70/96/1109587096.db2.gz DVCMWPIPOKZKTH-DLBZAZTESA-N 1 0 362.861 4.151 20 5 FIBDRO CCCCCn1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c(C)n1 ZINC000447589122 1109588503 /nfs/dbraw/zinc/58/85/03/1109588503.db2.gz WOPXHCHXQOUEGG-HXUWFJFHSA-N 1 0 356.470 4.457 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCc2cccc(Cl)c2)n1 ZINC000447578432 1109594217 /nfs/dbraw/zinc/59/42/17/1109594217.db2.gz FMMDSLGRRLGMJZ-IAGOWNOFSA-N 1 0 362.861 4.151 20 5 FIBDRO CSc1cc(C)ccc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447578442 1109594281 /nfs/dbraw/zinc/59/42/81/1109594281.db2.gz FNJKAZPMEUVMKI-HZPDHXFCSA-N 1 0 360.483 4.095 20 5 FIBDRO CC(C)(C)[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000152300176 1109609632 /nfs/dbraw/zinc/60/96/32/1109609632.db2.gz MHHYHCUBXJOWCJ-UHFFFAOYSA-N 1 0 366.421 4.446 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000526061808 1109613592 /nfs/dbraw/zinc/61/35/92/1109613592.db2.gz VAHHCICZIBFZMZ-RTGRKSDTSA-N 1 0 372.387 4.023 20 5 FIBDRO COc1ccc(C[NH+](C)C)cc1NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000527054675 1109681435 /nfs/dbraw/zinc/68/14/35/1109681435.db2.gz FAPRULPEMPXTCK-GDNBJRDFSA-N 1 0 355.438 4.180 20 5 FIBDRO CC(C)(C)c1ccc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)cc1[N+](=O)[O-] ZINC000447961421 1109688589 /nfs/dbraw/zinc/68/85/89/1109688589.db2.gz BTVFJQUVWHWUGH-UHFFFAOYSA-N 1 0 363.377 4.257 20 5 FIBDRO Cc1ccccc1C1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000449096388 1109975485 /nfs/dbraw/zinc/97/54/85/1109975485.db2.gz HEIGBVKDDXCNGK-GOSISDBHSA-N 1 0 368.477 4.172 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000449155349 1109987191 /nfs/dbraw/zinc/98/71/91/1109987191.db2.gz BFZLFEZLRWQIDN-SYNHAJSKSA-N 1 0 373.522 4.260 20 5 FIBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CN1C1CC1 ZINC000237494361 1109996976 /nfs/dbraw/zinc/99/69/76/1109996976.db2.gz CHKZNZLHVSEEDJ-KGLIPLIRSA-N 1 0 357.479 4.038 20 5 FIBDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000449347892 1110036750 /nfs/dbraw/zinc/03/67/50/1110036750.db2.gz JNRARWILLQJSKZ-CVEARBPZSA-N 1 0 355.438 4.280 20 5 FIBDRO COC[C@@]1(C)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000449394686 1110050648 /nfs/dbraw/zinc/05/06/48/1110050648.db2.gz OLJVFESELRNBSY-SFHVURJKSA-N 1 0 364.829 4.367 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCCCC2(F)F)c1 ZINC000449377873 1110051953 /nfs/dbraw/zinc/05/19/53/1110051953.db2.gz PPIGBCCJCUCAOC-NSHDSACASA-N 1 0 350.312 4.111 20 5 FIBDRO Cc1ccc(C[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000449435984 1110078901 /nfs/dbraw/zinc/07/89/01/1110078901.db2.gz GNIUMQLJYQKMDA-MRXNPFEDSA-N 1 0 368.355 4.135 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)o1 ZINC000449478283 1110084916 /nfs/dbraw/zinc/08/49/16/1110084916.db2.gz REDXYNAVOGTBLK-HNNXBMFYSA-N 1 0 356.422 4.294 20 5 FIBDRO Cc1cccnc1CCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449485632 1110089437 /nfs/dbraw/zinc/08/94/37/1110089437.db2.gz QUUSDTPIVUAXHD-UHFFFAOYSA-N 1 0 351.406 4.281 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3C[C@H](C4CC4)[C@@H]3C3CC3)cs2)c1 ZINC000449536454 1110103467 /nfs/dbraw/zinc/10/34/67/1110103467.db2.gz IOFDSMRBSCGGIP-MSOLQXFVSA-N 1 0 355.463 4.339 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000538378282 1111114802 /nfs/dbraw/zinc/11/48/02/1111114802.db2.gz RKMDSPKPIZGBNJ-VEBBDIFPSA-N 1 0 366.417 4.120 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(NC(=O)NC(C)C)cc1 ZINC000128027539 1111205305 /nfs/dbraw/zinc/20/53/05/1111205305.db2.gz KUVDMRUKUDQQBT-HNNXBMFYSA-N 1 0 370.453 4.284 20 5 FIBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000538727235 1111264662 /nfs/dbraw/zinc/26/46/62/1111264662.db2.gz BOIOMEAJFAEFDL-PBHICJAKSA-N 1 0 374.412 4.262 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC3(C2)CCOCC3)s1 ZINC000538763599 1111290835 /nfs/dbraw/zinc/29/08/35/1111290835.db2.gz MIGWMTJUVJZIKQ-UHFFFAOYSA-N 1 0 358.463 4.326 20 5 FIBDRO COCCCOc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000539046181 1111411530 /nfs/dbraw/zinc/41/15/30/1111411530.db2.gz HYYPIXKFZFTRPX-INIZCTEOSA-N 1 0 358.438 4.169 20 5 FIBDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000539065422 1111416007 /nfs/dbraw/zinc/41/60/07/1111416007.db2.gz HXEMNDWQDBFFQN-BXTJHSDWSA-N 1 0 358.438 4.339 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)Sc3sccc32)cc1[N+](=O)[O-] ZINC000539074129 1111420773 /nfs/dbraw/zinc/42/07/73/1111420773.db2.gz IFFYJZDDUSACDB-GXFFZTMASA-N 1 0 350.465 4.380 20 5 FIBDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000539079522 1111423446 /nfs/dbraw/zinc/42/34/46/1111423446.db2.gz HXJNNBIKUGMHSZ-IAGOWNOFSA-N 1 0 373.840 4.094 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000539081331 1111424807 /nfs/dbraw/zinc/42/48/07/1111424807.db2.gz ZMTOGLYLVATIOU-CYBMUJFWSA-N 1 0 350.365 4.398 20 5 FIBDRO CCC(CC)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000539277850 1111495278 /nfs/dbraw/zinc/49/52/78/1111495278.db2.gz YGPLDKPTXJSMCC-QGZVFWFLSA-N 1 0 361.467 4.022 20 5 FIBDRO Cc1c(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)cccc1[N+](=O)[O-] ZINC000478496788 1111794503 /nfs/dbraw/zinc/79/45/03/1111794503.db2.gz YHZMEFIXWPYMRF-LJQANCHMSA-N 1 0 352.434 4.395 20 5 FIBDRO CCC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000552853281 1111830190 /nfs/dbraw/zinc/83/01/90/1111830190.db2.gz UWZBOKKDFZRYPB-GOSISDBHSA-N 1 0 355.438 4.363 20 5 FIBDRO Cc1ccc([C@@H](C)NC2CC[NH+](CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000552925783 1111851121 /nfs/dbraw/zinc/85/11/21/1111851121.db2.gz JMHSNRJWHVHBRU-GOSISDBHSA-N 1 0 367.493 4.261 20 5 FIBDRO CC(=O)c1cc(NC2CCN(Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000553294669 1111942459 /nfs/dbraw/zinc/94/24/59/1111942459.db2.gz HRUFUHCUWWGDQN-UHFFFAOYSA-N 1 0 371.412 4.013 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@@H]2CCCc3ccc(F)cc32)n1 ZINC000479478507 1112038088 /nfs/dbraw/zinc/03/80/88/1112038088.db2.gz NCJXTEBRFZRFLU-SQNIBIBYSA-N 1 0 358.417 4.081 20 5 FIBDRO C[C@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccc(OC(F)(F)F)cc1 ZINC000480466889 1112435226 /nfs/dbraw/zinc/43/52/26/1112435226.db2.gz ZOBKFLDJRBZVCI-JTQLQIEISA-N 1 0 358.291 4.483 20 5 FIBDRO Cc1nc(C(C)C)ccc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000555376861 1112803265 /nfs/dbraw/zinc/80/32/65/1112803265.db2.gz CESFVIJUDVAHRV-UHFFFAOYSA-N 1 0 369.465 4.465 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[C@@H]4C3)o2)c(Br)c1 ZINC000600190108 1112916489 /nfs/dbraw/zinc/91/64/89/1112916489.db2.gz GNQHQMSANUORSY-PHIMTYICSA-N 1 0 363.211 4.069 20 5 FIBDRO COc1cc(C[NH2+]CC[C@@H](C)F)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000555616041 1112949354 /nfs/dbraw/zinc/94/93/54/1112949354.db2.gz JLKYUIBBQWRBBD-CQSZACIVSA-N 1 0 362.401 4.020 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000179408714 1113410295 /nfs/dbraw/zinc/41/02/95/1113410295.db2.gz YAJHDFDLWWYHBA-OLZOCXBDSA-N 1 0 359.382 4.314 20 5 FIBDRO CCCc1cc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c2ccccc2[nH+]1 ZINC000486019757 1113487476 /nfs/dbraw/zinc/48/74/76/1113487476.db2.gz PHGPNVUMWOCXFB-UHFFFAOYSA-N 1 0 365.437 4.134 20 5 FIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(-c4ccsc4)cc3)CC2)n1 ZINC000488713562 1113980887 /nfs/dbraw/zinc/98/08/87/1113980887.db2.gz LZZXVXOQBPTJAO-UHFFFAOYSA-N 1 0 368.462 4.357 20 5 FIBDRO C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488717528 1113982126 /nfs/dbraw/zinc/98/21/26/1113982126.db2.gz DPQXRRIGWVQECL-LBPRGKRZSA-N 1 0 368.359 4.208 20 5 FIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000488963165 1114025615 /nfs/dbraw/zinc/02/56/15/1114025615.db2.gz FFATXYOZNWWFRD-UHFFFAOYSA-N 1 0 362.433 4.295 20 5 FIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCc3cccc4ccccc43)CC2)n1 ZINC000489050317 1114037658 /nfs/dbraw/zinc/03/76/58/1114037658.db2.gz WMRJVNOEAMFKJR-UHFFFAOYSA-N 1 0 364.449 4.214 20 5 FIBDRO CCC[C@H](O)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000489094417 1114049095 /nfs/dbraw/zinc/04/90/95/1114049095.db2.gz JDLRMGZSIWEJQB-HNNXBMFYSA-N 1 0 364.829 4.291 20 5 FIBDRO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000491035726 1114364610 /nfs/dbraw/zinc/36/46/10/1114364610.db2.gz JZWOKVIHYALPEA-PGRDOPGGSA-N 1 0 367.493 4.394 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H](O)C2CCCCC2)c2ccccc2)c1 ZINC000491013225 1114365595 /nfs/dbraw/zinc/36/55/95/1114365595.db2.gz ZBNCQKGYYQBTHV-LEWJYISDSA-N 1 0 354.450 4.215 20 5 FIBDRO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491165247 1114378876 /nfs/dbraw/zinc/37/88/76/1114378876.db2.gz DUBCZWDOPDBDDO-UHFFFAOYSA-N 1 0 371.456 4.078 20 5 FIBDRO COc1cc(C[NH+]2CCC3(CCC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000586783237 1114392488 /nfs/dbraw/zinc/39/24/88/1114392488.db2.gz LWBQFXIEEZHWRI-UHFFFAOYSA-N 1 0 370.396 4.013 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000586795568 1114395116 /nfs/dbraw/zinc/39/51/16/1114395116.db2.gz RIUVPISHRSBBGK-OLZOCXBDSA-N 1 0 354.410 4.282 20 5 FIBDRO Cc1ccc(-c2nnc([C@H](C)[N@H+](C)CCc3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000571703738 1114493085 /nfs/dbraw/zinc/49/30/85/1114493085.db2.gz CUSMFRVNNYOOQJ-HNNXBMFYSA-N 1 0 366.421 4.189 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000164405110 1114494151 /nfs/dbraw/zinc/49/41/51/1114494151.db2.gz NZVJSDOJPGOINU-IBGZPJMESA-N 1 0 371.412 4.208 20 5 FIBDRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000056157008 1114615912 /nfs/dbraw/zinc/61/59/12/1114615912.db2.gz JRTPZOHSEQFRHH-CABCVRRESA-N 1 0 371.437 4.060 20 5 FIBDRO CCc1ccc2c(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1 ZINC000056197175 1114659001 /nfs/dbraw/zinc/65/90/01/1114659001.db2.gz NDLIRIRQFYZQLQ-CYBMUJFWSA-N 1 0 352.390 4.114 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCSc4ccccc43)c2c1 ZINC000588960038 1114681232 /nfs/dbraw/zinc/68/12/32/1114681232.db2.gz YBAUNIKSLSAIER-GOSISDBHSA-N 1 0 353.447 4.445 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)F)ccc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000589103427 1114696811 /nfs/dbraw/zinc/69/68/11/1114696811.db2.gz KJTFQXWDBPSDCK-HNNXBMFYSA-N 1 0 351.353 4.374 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCC(OC(F)F)CC3)o2)cc1 ZINC000590662278 1114960357 /nfs/dbraw/zinc/96/03/57/1114960357.db2.gz LBUROIKPFHAPOD-UHFFFAOYSA-N 1 0 366.364 4.495 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C1CCC(OC(F)F)CC1 ZINC000590662246 1114960645 /nfs/dbraw/zinc/96/06/45/1114960645.db2.gz FPDWTKFOPGVRGC-YJNKEBTESA-N 1 0 368.424 4.446 20 5 FIBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc2ccccc2c1 ZINC000045799640 1115067110 /nfs/dbraw/zinc/06/71/10/1115067110.db2.gz NLQKINONWNNIMH-UHFFFAOYSA-N 1 0 363.417 4.209 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCCc1ccsc1)[C@H]1CC[C@H](O)CC1 ZINC000592133626 1115203300 /nfs/dbraw/zinc/20/33/00/1115203300.db2.gz ZDALPOLUWPPCQE-WGSAOQKQSA-N 1 0 374.506 4.395 20 5 FIBDRO Cc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cc1 ZINC000592130765 1115204829 /nfs/dbraw/zinc/20/48/29/1115204829.db2.gz NDPTVNVLBIVFIP-MXVIHJGJSA-N 1 0 354.450 4.209 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592527444 1115241002 /nfs/dbraw/zinc/24/10/02/1115241002.db2.gz GUGOUXDTHGTGJT-HXUWFJFHSA-N 1 0 352.434 4.063 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnn(-c3ccccc3C)c2)cc1[N+](=O)[O-] ZINC000592365374 1115283303 /nfs/dbraw/zinc/28/33/03/1115283303.db2.gz QNPMWFXJBYAKQU-MRXNPFEDSA-N 1 0 350.422 4.248 20 5 FIBDRO CC1(C)C[C@@H]([NH2+][C@@H](CCO)c2ccccc2F)c2cc([N+](=O)[O-])ccc21 ZINC000592401780 1115303985 /nfs/dbraw/zinc/30/39/85/1115303985.db2.gz COWQLRYRFVWNFV-RBUKOAKNSA-N 1 0 358.413 4.170 20 5 FIBDRO C[C@H]1CC2(C[N@@H+]1Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CCOCC2 ZINC000592526020 1115341564 /nfs/dbraw/zinc/34/15/64/1115341564.db2.gz FMFXGBZXACKUIF-HNNXBMFYSA-N 1 0 356.422 4.246 20 5 FIBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000593830806 1115352033 /nfs/dbraw/zinc/35/20/33/1115352033.db2.gz LIHUYESOOBWSID-SFHVURJKSA-N 1 0 359.473 4.088 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000574585555 1115419284 /nfs/dbraw/zinc/41/92/84/1115419284.db2.gz YOWYIFWLYXKUOD-RMFSNUHRSA-N 1 0 368.433 4.071 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000574585556 1115419462 /nfs/dbraw/zinc/41/94/62/1115419462.db2.gz YOWYIFWLYXKUOD-WGMWDUQUSA-N 1 0 368.433 4.071 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000594494700 1115450191 /nfs/dbraw/zinc/45/01/91/1115450191.db2.gz RTTSNOTYYVAVHX-LJQANCHMSA-N 1 0 366.465 4.147 20 5 FIBDRO COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000594503325 1115451750 /nfs/dbraw/zinc/45/17/50/1115451750.db2.gz JJKZBAJFXWKNCD-YJYMSZOUSA-N 1 0 354.406 4.110 20 5 FIBDRO CCc1ccc([C@H]([NH2+][C@H](C)Cc2ccccn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000594513633 1115457301 /nfs/dbraw/zinc/45/73/01/1115457301.db2.gz DXJASLCRXJCZII-QVKFZJNVSA-N 1 0 365.433 4.455 20 5 FIBDRO COC[C@@H](C)Oc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000594943933 1115501700 /nfs/dbraw/zinc/50/17/00/1115501700.db2.gz MIRHYQIPLDKVBW-OAHLLOKOSA-N 1 0 358.438 4.033 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C2CCC3(CC3(F)F)CC2)c1 ZINC000594983842 1115505487 /nfs/dbraw/zinc/50/54/87/1115505487.db2.gz PFQZXGBHUHOJQK-UHFFFAOYSA-N 1 0 362.323 4.254 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000595005399 1115507448 /nfs/dbraw/zinc/50/74/48/1115507448.db2.gz YSTJRNHEMDINFD-LLVKDONJSA-N 1 0 370.327 4.353 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000595007248 1115508168 /nfs/dbraw/zinc/50/81/68/1115508168.db2.gz LCYKMKPXVGLVEY-INIZCTEOSA-N 1 0 370.449 4.002 20 5 FIBDRO CCc1ccc([C@H]([NH2+]C[C@@H]2CCOC2(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595108512 1115516602 /nfs/dbraw/zinc/51/66/02/1115516602.db2.gz QZOAREIRZYRHTQ-HNAYVOBHSA-N 1 0 358.438 4.244 20 5 FIBDRO C[C@@H]([NH2+]Cc1cccc(COC[C@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000595103365 1115516680 /nfs/dbraw/zinc/51/66/80/1115516680.db2.gz LZYFPMKNULOGAR-IIBYNOLFSA-N 1 0 370.449 4.141 20 5 FIBDRO CCC[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000595074814 1115517116 /nfs/dbraw/zinc/51/71/16/1115517116.db2.gz VSLRQDDXOWJVSA-IBGZPJMESA-N 1 0 354.454 4.221 20 5 FIBDRO CC(C)[C@H](O)[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000595097400 1115517974 /nfs/dbraw/zinc/51/79/74/1115517974.db2.gz VPMFKORGFZPIKR-NJYVYQBISA-N 1 0 354.450 4.320 20 5 FIBDRO CCOc1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000046776953 1115528312 /nfs/dbraw/zinc/52/83/12/1115528312.db2.gz HJZJVIXHYGVZLR-UHFFFAOYSA-N 1 0 366.364 4.227 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000595528440 1115540501 /nfs/dbraw/zinc/54/05/01/1115540501.db2.gz YCGJLFAJFIJGLA-MRXNPFEDSA-N 1 0 369.469 4.316 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC([C@@H]4CCCCO4)CC3)co2)cc1 ZINC000595781589 1115562842 /nfs/dbraw/zinc/56/28/42/1115562842.db2.gz CRUZSWCPUQVMKX-IBGZPJMESA-N 1 0 371.437 4.031 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000595785782 1115563498 /nfs/dbraw/zinc/56/34/98/1115563498.db2.gz GOEDNUXTPJCPJZ-SUMWQHHRSA-N 1 0 372.387 4.395 20 5 FIBDRO CC[C@H](c1ccccc1)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000595857596 1115564605 /nfs/dbraw/zinc/56/46/05/1115564605.db2.gz OUROTSOXJANODB-GOSISDBHSA-N 1 0 355.438 4.055 20 5 FIBDRO CCC(CC)(CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000596118434 1115574722 /nfs/dbraw/zinc/57/47/22/1115574722.db2.gz ACCMAQAYGIDXNR-AWEZNQCLSA-N 1 0 358.442 4.017 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)C1CC1 ZINC000596117433 1115574972 /nfs/dbraw/zinc/57/49/72/1115574972.db2.gz GEUSGVWMPJUESR-INIZCTEOSA-N 1 0 365.355 4.120 20 5 FIBDRO C[NH+](C)C1CCC2(CC1)CCN(c1nccc3c1cccc3[N+](=O)[O-])CC2 ZINC000596256081 1115582058 /nfs/dbraw/zinc/58/20/58/1115582058.db2.gz YGCWQAUSFQTCNA-UHFFFAOYSA-N 1 0 368.481 4.234 20 5 FIBDRO Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593588717 1115741876 /nfs/dbraw/zinc/74/18/76/1115741876.db2.gz LPWXLHUGNNLBRQ-HNNXBMFYSA-N 1 0 350.422 4.248 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC001168413871 1115752508 /nfs/dbraw/zinc/75/25/08/1115752508.db2.gz LMYCQLDVBODHJK-FQEVSTJZSA-N 1 0 369.465 4.013 20 5 FIBDRO Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000593615234 1115753443 /nfs/dbraw/zinc/75/34/43/1115753443.db2.gz KDGJQIYMENLOHM-UHFFFAOYSA-N 1 0 364.449 4.422 20 5 FIBDRO COc1ccc(C[NH2+][C@H](C)C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061030291 1115755423 /nfs/dbraw/zinc/75/54/23/1115755423.db2.gz OKCDAVUNIOVHFS-CQSZACIVSA-N 1 0 356.422 4.071 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(C3(O)CC3)CC2)s1 ZINC000593648205 1115771301 /nfs/dbraw/zinc/77/13/01/1115771301.db2.gz UVQLNXYPRJYQMB-UHFFFAOYSA-N 1 0 358.463 4.060 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593658748 1115776035 /nfs/dbraw/zinc/77/60/35/1115776035.db2.gz VLBNBGMJLAUAIF-FMIVXFBMSA-N 1 0 358.335 4.365 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000599012557 1115777119 /nfs/dbraw/zinc/77/71/19/1115777119.db2.gz GCTGGSXYLDIGIX-INIZCTEOSA-N 1 0 369.248 4.423 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599017243 1115779036 /nfs/dbraw/zinc/77/90/36/1115779036.db2.gz ZSBYCXQBGUHIGL-QGZVFWFLSA-N 1 0 369.248 4.423 20 5 FIBDRO C[C@@H](Nc1ccc2cnccc2c1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000599066958 1115786737 /nfs/dbraw/zinc/78/67/37/1115786737.db2.gz VJVNNASEMWZBHB-ZBFHGGJFSA-N 1 0 354.454 4.208 20 5 FIBDRO CCc1ccc([C@H](NC[C@@H]2CCCC[N@H+](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000599072033 1115786912 /nfs/dbraw/zinc/78/69/12/1115786912.db2.gz WZELYUUUCZYSPF-HRAATJIYSA-N 1 0 371.481 4.161 20 5 FIBDRO C[NH+](C)[C@H]1CCOc2c(Nc3ccc4cnccc4c3[N+](=O)[O-])cccc21 ZINC000599079750 1115787679 /nfs/dbraw/zinc/78/76/79/1115787679.db2.gz NTQPTFRPCKPYHH-SFHVURJKSA-N 1 0 364.405 4.272 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CCN2CCCCC2)ccc1Oc1ccc(F)cc1 ZINC000603633601 1115801315 /nfs/dbraw/zinc/80/13/15/1115801315.db2.gz VGCUEBXAMPQLSK-UHFFFAOYSA-N 1 0 373.428 4.102 20 5 FIBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000603838747 1115818411 /nfs/dbraw/zinc/81/84/11/1115818411.db2.gz GKASXRWLPCGKRU-UHFFFAOYSA-N 1 0 354.328 4.124 20 5 FIBDRO O=[N+]([O-])c1cc(F)ccc1CN[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599680215 1115837792 /nfs/dbraw/zinc/83/77/92/1115837792.db2.gz LJLADISTQVGKQW-HNNXBMFYSA-N 1 0 373.211 4.254 20 5 FIBDRO Cc1ccc(C[NH2+][C@H]2CCc3nc(-c4ccccc4)ncc3C2)cc1[N+](=O)[O-] ZINC000604557357 1115868965 /nfs/dbraw/zinc/86/89/65/1115868965.db2.gz MVWWVPDENRECNU-IBGZPJMESA-N 1 0 374.444 4.007 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCOc2ccc(Cl)cc2)c1 ZINC000604533043 1115869252 /nfs/dbraw/zinc/86/92/52/1115869252.db2.gz VLWIEJSGWVIKAW-UHFFFAOYSA-N 1 0 372.755 4.018 20 5 FIBDRO COc1ccc(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000604532653 1115869318 /nfs/dbraw/zinc/86/93/18/1115869318.db2.gz KFGWOEVKTKKNFX-UHFFFAOYSA-N 1 0 358.438 4.068 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000594019840 1115962165 /nfs/dbraw/zinc/96/21/65/1115962165.db2.gz ACQUDAGSQOEOJK-HNNXBMFYSA-N 1 0 362.433 4.479 20 5 FIBDRO COc1ccc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 ZINC000063282500 1116033370 /nfs/dbraw/zinc/03/33/70/1116033370.db2.gz UPDMSMLDBKKSPK-UHFFFAOYSA-N 1 0 369.465 4.236 20 5 FIBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000173406732 1116061535 /nfs/dbraw/zinc/06/15/35/1116061535.db2.gz MUJUDAASPODABY-QLJPJBMISA-N 1 0 355.221 4.286 20 5 FIBDRO C[C@@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000173438868 1116067200 /nfs/dbraw/zinc/06/72/00/1116067200.db2.gz LFUJRUWNTCLFDZ-MEBBXXQBSA-N 1 0 355.221 4.286 20 5 FIBDRO CCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000608788722 1116130066 /nfs/dbraw/zinc/13/00/66/1116130066.db2.gz QSCZSXQUDNSWHA-UTKZUKDTSA-N 1 0 353.466 4.252 20 5 FIBDRO C[C@H]1CCCCN1CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000608836082 1116131204 /nfs/dbraw/zinc/13/12/04/1116131204.db2.gz KJWNDXPMSJJDNP-HNNXBMFYSA-N 1 0 359.495 4.287 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2ccc(O)cc2)s1 ZINC000608836405 1116131333 /nfs/dbraw/zinc/13/13/33/1116131333.db2.gz DEJOBZYIRYIYKI-UHFFFAOYSA-N 1 0 354.431 4.361 20 5 FIBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)[NH+](C)C)cc1 ZINC000064114162 1116142625 /nfs/dbraw/zinc/14/26/25/1116142625.db2.gz APHFYDJWZUMFNQ-IBGZPJMESA-N 1 0 350.422 4.166 20 5 FIBDRO C[NH+](C)CCc1ccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000609063015 1116154846 /nfs/dbraw/zinc/15/48/46/1116154846.db2.gz PMMJMURXTQOGTR-UHFFFAOYSA-N 1 0 369.465 4.249 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCn2c(C)nc3ccccc32)cc1[N+](=O)[O-] ZINC000152657446 1116161097 /nfs/dbraw/zinc/16/10/97/1116161097.db2.gz HURZUDMNENAOFO-AWEZNQCLSA-N 1 0 368.437 4.002 20 5 FIBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 ZINC000456270708 1116173388 /nfs/dbraw/zinc/17/33/88/1116173388.db2.gz VWRDAQRNDHNHLN-MRXNPFEDSA-N 1 0 359.813 4.049 20 5 FIBDRO CC(C)CSCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000534451936 1116200329 /nfs/dbraw/zinc/20/03/29/1116200329.db2.gz DRRBYRTXQPESMJ-UHFFFAOYSA-N 1 0 351.497 4.197 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000152789872 1116332509 /nfs/dbraw/zinc/33/25/09/1116332509.db2.gz QGFXJAZHQBHTNT-HOTGVXAUSA-N 1 0 357.429 4.219 20 5 FIBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccco1 ZINC000462379142 1116341879 /nfs/dbraw/zinc/34/18/79/1116341879.db2.gz VFYOFMFQRZPUJF-CQSZACIVSA-N 1 0 369.368 4.284 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1c[nH]c2c1cccc2C ZINC000462726200 1116395883 /nfs/dbraw/zinc/39/58/83/1116395883.db2.gz HDFSUMQGIRLPCJ-UHFFFAOYSA-N 1 0 353.422 4.116 20 5 FIBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)CC1CCN(c2ccccn2)CC1 ZINC000076108900 1116396576 /nfs/dbraw/zinc/39/65/76/1116396576.db2.gz XSTHXZAUKGEJPU-UHFFFAOYSA-N 1 0 368.481 4.037 20 5 FIBDRO COc1cccc(O[C@H](C)C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000462733410 1117741049 /nfs/dbraw/zinc/74/10/49/1117741049.db2.gz INQBACAWQXSDEZ-OAHLLOKOSA-N 1 0 358.438 4.284 20 5 FIBDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000462807374 1117789038 /nfs/dbraw/zinc/78/90/38/1117789038.db2.gz RTLPYBNSBMFPFI-HNAYVOBHSA-N 1 0 357.429 4.301 20 5 FIBDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000462807373 1117789197 /nfs/dbraw/zinc/78/91/97/1117789197.db2.gz RTLPYBNSBMFPFI-DNVCBOLYSA-N 1 0 357.429 4.301 20 5 FIBDRO CSc1cc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccn1 ZINC000540066594 1117840357 /nfs/dbraw/zinc/84/03/57/1117840357.db2.gz MEURHBPKEKARML-UHFFFAOYSA-N 1 0 355.419 4.262 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c(Cl)c1 ZINC000462905092 1117850939 /nfs/dbraw/zinc/85/09/39/1117850939.db2.gz BTVFLVIUVMMRHL-ZDUSSCGKSA-N 1 0 363.820 4.003 20 5 FIBDRO CCC[C@@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1cccc([N+](=O)[O-])c1 ZINC000540170872 1117912703 /nfs/dbraw/zinc/91/27/03/1117912703.db2.gz QRUZFWFPPZKTIS-QGZVFWFLSA-N 1 0 370.428 4.294 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@@H]1CCCC[C@@H]1O ZINC000540164969 1117917895 /nfs/dbraw/zinc/91/78/95/1117917895.db2.gz PTJIBKYQDRLHGR-JZXOWHBKSA-N 1 0 366.527 4.386 20 5 FIBDRO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1-c1ccc(Cl)cc1 ZINC000540415151 1118041111 /nfs/dbraw/zinc/04/11/11/1118041111.db2.gz VTDDZIAHCCXOQI-ZDUSSCGKSA-N 1 0 370.840 4.500 20 5 FIBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000540446940 1118058948 /nfs/dbraw/zinc/05/89/48/1118058948.db2.gz SOFDJUMCRCKMAN-LBPRGKRZSA-N 1 0 354.328 4.343 20 5 FIBDRO CCC[C@H](Nc1cccc(OCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000540843403 1118272455 /nfs/dbraw/zinc/27/24/55/1118272455.db2.gz YELUXUDDHLAUTE-FQEVSTJZSA-N 1 0 357.454 4.489 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCc1nc2ccccc2n1C ZINC000090050142 1118273335 /nfs/dbraw/zinc/27/33/35/1118273335.db2.gz VYMGRWFBEYXPLG-MRXNPFEDSA-N 1 0 366.465 4.025 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000463746833 1118313056 /nfs/dbraw/zinc/31/30/56/1118313056.db2.gz HIOIVJGGSDFHFN-UHFFFAOYSA-N 1 0 363.417 4.345 20 5 FIBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000541007203 1118343150 /nfs/dbraw/zinc/34/31/50/1118343150.db2.gz REVAIYSJRSZSMM-PBHICJAKSA-N 1 0 360.483 4.163 20 5 FIBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000541067922 1118374460 /nfs/dbraw/zinc/37/44/60/1118374460.db2.gz BZTHVRIAPFLNPT-UHFFFAOYSA-N 1 0 373.884 4.345 20 5 FIBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cc2ccccc2c2cccnc12 ZINC000464332915 1118530283 /nfs/dbraw/zinc/53/02/83/1118530283.db2.gz IXOGJSHIHIYQRT-LJQANCHMSA-N 1 0 373.500 4.382 20 5 FIBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@H](C)c3cccnc3)o2)c([N+](=O)[O-])c1 ZINC000541759980 1118633497 /nfs/dbraw/zinc/63/34/97/1118633497.db2.gz BKMNYSKGGROSOO-CQSZACIVSA-N 1 0 367.405 4.451 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000541773009 1118645557 /nfs/dbraw/zinc/64/55/57/1118645557.db2.gz NHNMKYRMYNBZBQ-SFHVURJKSA-N 1 0 354.406 4.012 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)cc1 ZINC000464781410 1118692715 /nfs/dbraw/zinc/69/27/15/1118692715.db2.gz ZEVFNASVDRRCBL-UHFFFAOYSA-N 1 0 352.434 4.127 20 5 FIBDRO Cc1ccnc(OC2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000542050304 1118772795 /nfs/dbraw/zinc/77/27/95/1118772795.db2.gz WNAUQXOAEQSUDQ-MRXNPFEDSA-N 1 0 355.438 4.211 20 5 FIBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000465273273 1118909247 /nfs/dbraw/zinc/90/92/47/1118909247.db2.gz QEMHYCSHSNPNOV-KRWDZBQOSA-N 1 0 361.489 4.096 20 5 FIBDRO CCOc1cc(C[NH+]2CCC(Nc3cccc(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000492531603 1119119303 /nfs/dbraw/zinc/11/93/03/1119119303.db2.gz GLIDUOYJEBPSEB-UHFFFAOYSA-N 1 0 369.465 4.378 20 5 FIBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174568200 1119133400 /nfs/dbraw/zinc/13/34/00/1119133400.db2.gz QLWDZNJVUIEGRJ-GOSISDBHSA-N 1 0 373.500 4.336 20 5 FIBDRO CCOc1cc(C[N@H+](CCOC)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492718782 1119172261 /nfs/dbraw/zinc/17/22/61/1119172261.db2.gz BVJWJDRXARGYFG-INIZCTEOSA-N 1 0 358.438 4.203 20 5 FIBDRO Cc1c(C[NH+]2CCC3(CC2)OCCc2ccsc23)cccc1[N+](=O)[O-] ZINC000492811108 1119192118 /nfs/dbraw/zinc/19/21/18/1119192118.db2.gz VIEOQFIYSRZYFP-UHFFFAOYSA-N 1 0 358.463 4.029 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-] ZINC000493008785 1119242657 /nfs/dbraw/zinc/24/26/57/1119242657.db2.gz LGHKEOYVFZBIJH-LLVKDONJSA-N 1 0 352.337 4.056 20 5 FIBDRO C[C@]1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCC[C@H]1O ZINC000493177792 1119328463 /nfs/dbraw/zinc/32/84/63/1119328463.db2.gz QWIUSMBKTDZWPQ-NJDAHSKKSA-N 1 0 354.450 4.215 20 5 FIBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000493174221 1119329829 /nfs/dbraw/zinc/32/98/29/1119329829.db2.gz ICPLCPJKOQZVNB-HLAWJBBLSA-N 1 0 354.450 4.477 20 5 FIBDRO CCC1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000493225627 1119352384 /nfs/dbraw/zinc/35/23/84/1119352384.db2.gz GUJVXIXZDLFNJR-HXUWFJFHSA-N 1 0 354.450 4.481 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](c2cccs2)N2CCCC2)cc1Cl ZINC000761516636 1119408029 /nfs/dbraw/zinc/40/80/29/1119408029.db2.gz OHKBANNIRGMQHK-MRXNPFEDSA-N 1 0 365.886 4.236 20 5 FIBDRO C[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000761524528 1119411888 /nfs/dbraw/zinc/41/18/88/1119411888.db2.gz FKDVVUXMIIPQJG-MAUKXSAKSA-N 1 0 373.884 4.391 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000152702940 1119487588 /nfs/dbraw/zinc/48/75/88/1119487588.db2.gz XJOVKXPLYMLBMT-SJKOYZFVSA-N 1 0 364.829 4.031 20 5 FIBDRO Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000031621453 1119516548 /nfs/dbraw/zinc/51/65/48/1119516548.db2.gz DJFDCCMJBXPZIS-UHFFFAOYSA-N 1 0 353.422 4.141 20 5 FIBDRO CCc1nc(C)c(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)o1 ZINC000494293501 1119821271 /nfs/dbraw/zinc/82/12/71/1119821271.db2.gz PXMGMTFVUGOZSN-UHFFFAOYSA-N 1 0 357.435 4.472 20 5 FIBDRO C/C(=C/c1ccccc1)CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494293252 1119821579 /nfs/dbraw/zinc/82/15/79/1119821579.db2.gz NMISTDQWOVUAQA-UVTDQMKNSA-N 1 0 373.840 4.222 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCCc2c[nH]nc2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542480755 1119827710 /nfs/dbraw/zinc/82/77/10/1119827710.db2.gz PSMMZAQAAKFVDL-HXUWFJFHSA-N 1 0 368.437 4.094 20 5 FIBDRO COc1ccc([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)cc1 ZINC000609194225 1119842062 /nfs/dbraw/zinc/84/20/62/1119842062.db2.gz GNQMVTYCVLKZBJ-QGZVFWFLSA-N 1 0 370.449 4.380 20 5 FIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc2c(c1)COC2 ZINC000494465099 1119869494 /nfs/dbraw/zinc/86/94/94/1119869494.db2.gz MMNUORPZEUZKCW-LLVKDONJSA-N 1 0 366.339 4.495 20 5 FIBDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494519559 1119886804 /nfs/dbraw/zinc/88/68/04/1119886804.db2.gz BRIZONRODYCQQP-YVEFUNNKSA-N 1 0 368.355 4.479 20 5 FIBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000190581230 1119941915 /nfs/dbraw/zinc/94/19/15/1119941915.db2.gz DTTOUBILOCDJIC-UHFFFAOYSA-N 1 0 361.829 4.342 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCc2c[nH]c3ncccc23)c2ccccc2)c1 ZINC000494746625 1120119672 /nfs/dbraw/zinc/11/96/72/1120119672.db2.gz NPKHWHYLKBKAOQ-OAQYLSRUSA-N 1 0 372.428 4.393 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000495158803 1120516192 /nfs/dbraw/zinc/51/61/92/1120516192.db2.gz QFLSJGYINOTQKC-HKUYNNGSSA-N 1 0 369.465 4.003 20 5 FIBDRO C[C@@H](C1CC1)[NH+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000914867055 1120605469 /nfs/dbraw/zinc/60/54/69/1120605469.db2.gz RLHHNQZAIFHDKW-AWEZNQCLSA-N 1 0 355.394 4.304 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCCc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000153239022 1120772787 /nfs/dbraw/zinc/77/27/87/1120772787.db2.gz MJBJOKGVEPMDBR-CQSZACIVSA-N 1 0 368.437 4.153 20 5 FIBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000542558043 1120827806 /nfs/dbraw/zinc/82/78/06/1120827806.db2.gz YCMCEYIXDIIPIB-NSHDSACASA-N 1 0 367.858 4.379 20 5 FIBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000915164692 1120849744 /nfs/dbraw/zinc/84/97/44/1120849744.db2.gz NNGOITMPSRDFTC-UHFFFAOYSA-N 1 0 373.840 4.486 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3Cc4ccccc43)o2)c([N+](=O)[O-])c1 ZINC000609222404 1120997899 /nfs/dbraw/zinc/99/78/99/1120997899.db2.gz HNZPEPISBOAWBV-OAHLLOKOSA-N 1 0 364.401 4.293 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](CC3CCCCC3)C3CC3)o2)cc1 ZINC000076781424 1121108440 /nfs/dbraw/zinc/10/84/40/1121108440.db2.gz SUUMOOQMAVPUSW-UHFFFAOYSA-N 1 0 356.426 4.190 20 5 FIBDRO O=C(CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccccc1Cl ZINC000153329886 1121113531 /nfs/dbraw/zinc/11/35/31/1121113531.db2.gz HONREZZAYDJAIZ-UHFFFAOYSA-N 1 0 373.840 4.241 20 5 FIBDRO COCCCOc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000090718736 1121228239 /nfs/dbraw/zinc/22/82/39/1121228239.db2.gz CQLQMLKSSRYWGE-MRXNPFEDSA-N 1 0 358.438 4.169 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000194415657 1121281564 /nfs/dbraw/zinc/28/15/64/1121281564.db2.gz KEAMTOMDBMOZMP-UHFFFAOYSA-N 1 0 357.410 4.190 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)c2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000154065159 1121551848 /nfs/dbraw/zinc/55/18/48/1121551848.db2.gz NQMIEPFPMYPVPF-LRDDRELGSA-N 1 0 360.458 4.146 20 5 FIBDRO C[C@@](O)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1Cl ZINC000765813229 1122101458 /nfs/dbraw/zinc/10/14/58/1122101458.db2.gz ZVAFMHFMBXOVFC-AZUAARDMSA-N 1 0 374.868 4.067 20 5 FIBDRO COc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301520571 1122199347 /nfs/dbraw/zinc/19/93/47/1122199347.db2.gz FIYQJCWRHSELJA-CRAIPNDOSA-N 1 0 355.438 4.068 20 5 FIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCC3)CC2)cc1C(F)(F)F ZINC000301534685 1122204742 /nfs/dbraw/zinc/20/47/42/1122204742.db2.gz MFACXHYCUJTTII-UHFFFAOYSA-N 1 0 357.376 4.433 20 5 FIBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])cc2)C1 ZINC000154329177 1122234347 /nfs/dbraw/zinc/23/43/47/1122234347.db2.gz GJQMSIYZHJXOFL-AWEZNQCLSA-N 1 0 371.412 4.218 20 5 FIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000542687917 1122282447 /nfs/dbraw/zinc/28/24/47/1122282447.db2.gz GKPVLJREZJVDFU-UHFFFAOYSA-N 1 0 373.478 4.409 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000542691645 1122286812 /nfs/dbraw/zinc/28/68/12/1122286812.db2.gz UDGPSYNHUFKRTN-PXNSSMCTSA-N 1 0 374.412 4.143 20 5 FIBDRO CC(C)(C)[C@H]([NH2+]Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000917432125 1122312803 /nfs/dbraw/zinc/31/28/03/1122312803.db2.gz KIJPPQFKWUBNAX-GOSISDBHSA-N 1 0 365.437 4.188 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CCc2cccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000556218366 1122747705 /nfs/dbraw/zinc/74/77/05/1122747705.db2.gz RXUYZTJQKWVAHQ-LBPRGKRZSA-N 1 0 353.344 4.210 20 5 FIBDRO CCC[N@@H+]1CC[C@H](CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000919722947 1123109957 /nfs/dbraw/zinc/10/99/57/1123109957.db2.gz UWWQMJGDNRFMNW-SNVBAGLBSA-N 1 0 365.783 4.411 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000499249689 1123359191 /nfs/dbraw/zinc/35/91/91/1123359191.db2.gz VFTXKNGJIVHZSR-CABCVRRESA-N 1 0 367.449 4.151 20 5 FIBDRO C[NH+](C)CC[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)(C)C ZINC000609709084 1123804284 /nfs/dbraw/zinc/80/42/84/1123804284.db2.gz STSBZIMKOHUSLL-LJQANCHMSA-N 1 0 359.470 4.311 20 5 FIBDRO C[NH+](C)CC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000609709036 1123804387 /nfs/dbraw/zinc/80/43/87/1123804387.db2.gz LWKKBJWHXVFPLO-IBGZPJMESA-N 1 0 359.470 4.311 20 5 FIBDRO COc1cc(C[N@@H+]2CCCC[C@H]2C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000609766972 1123825744 /nfs/dbraw/zinc/82/57/44/1123825744.db2.gz AEFMABHVXIFSNC-ZDUSSCGKSA-N 1 0 358.385 4.215 20 5 FIBDRO COc1ccc(C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C2CC2)cc1 ZINC000064641532 1123889596 /nfs/dbraw/zinc/88/95/96/1123889596.db2.gz ONSPCZULSRJRSJ-HNNXBMFYSA-N 1 0 370.449 4.413 20 5 FIBDRO CC[C@@](C)(CO)[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000610088855 1123936959 /nfs/dbraw/zinc/93/69/59/1123936959.db2.gz GSVDMVSXDLLPNB-IBGZPJMESA-N 1 0 360.479 4.305 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+]C3(c4cccc(F)c4)CC3)o2)c1 ZINC000179685573 1124030112 /nfs/dbraw/zinc/03/01/12/1124030112.db2.gz HMVBTGJUOXFDFF-UHFFFAOYSA-N 1 0 367.380 4.210 20 5 FIBDRO Cn1cc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c(-c2ccccc2)n1 ZINC000179695588 1124032482 /nfs/dbraw/zinc/03/24/82/1124032482.db2.gz XFMNUWODROIVIX-UHFFFAOYSA-N 1 0 362.433 4.160 20 5 FIBDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000542820453 1124390437 /nfs/dbraw/zinc/39/04/37/1124390437.db2.gz ZLENPFJIWVCIMF-HOCLYGCPSA-N 1 0 374.412 4.119 20 5 FIBDRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123179291 1124402010 /nfs/dbraw/zinc/40/20/10/1124402010.db2.gz QSNXVKBAEIKWRB-INIZCTEOSA-N 1 0 369.465 4.268 20 5 FIBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000616994123 1124423818 /nfs/dbraw/zinc/42/38/18/1124423818.db2.gz UYUQLDAGRIVYAP-MRXNPFEDSA-N 1 0 361.489 4.238 20 5 FIBDRO Cc1nc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301614846 1124587911 /nfs/dbraw/zinc/58/79/11/1124587911.db2.gz AYCSPJYFJHTOFJ-UHFFFAOYSA-N 1 0 360.845 4.028 20 5 FIBDRO CCOc1cc2c(cc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000153863525 1124745576 /nfs/dbraw/zinc/74/55/76/1124745576.db2.gz LRNJIXHAUDWVFE-ZIAGYGMSSA-N 1 0 356.422 4.168 20 5 FIBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC001168676185 1124749950 /nfs/dbraw/zinc/74/99/50/1124749950.db2.gz JEAGJDUZPLTLRR-SJCJKPOMSA-N 1 0 361.829 4.316 20 5 FIBDRO CC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(Cl)c1 ZINC001168676907 1124759860 /nfs/dbraw/zinc/75/98/60/1124759860.db2.gz MDVOUPQSDMXJTL-ZWKOTPCHSA-N 1 0 373.840 4.094 20 5 FIBDRO Cc1nc(COc2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)cc2)cs1 ZINC000069784200 1125144846 /nfs/dbraw/zinc/14/48/46/1125144846.db2.gz ULRYEMXPLNEOND-UHFFFAOYSA-N 1 0 369.446 4.229 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CCCc2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000181827308 1125149437 /nfs/dbraw/zinc/14/94/37/1125149437.db2.gz DIEQXIGXXMWQBQ-OAHLLOKOSA-N 1 0 366.421 4.237 20 5 FIBDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618569861 1125208280 /nfs/dbraw/zinc/20/82/80/1125208280.db2.gz AYPSBTXFZSDQHT-OALUTQOASA-N 1 0 354.406 4.094 20 5 FIBDRO C[C@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000311850866 1125232573 /nfs/dbraw/zinc/23/25/73/1125232573.db2.gz SJRSXTIWISVEFY-JENIJYKNSA-N 1 0 353.466 4.156 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000301776032 1125264206 /nfs/dbraw/zinc/26/42/06/1125264206.db2.gz LHHOMUROKYFGNW-DOMZBBRYSA-N 1 0 369.387 4.067 20 5 FIBDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618985173 1125411464 /nfs/dbraw/zinc/41/14/64/1125411464.db2.gz JNIVTMKBHIVRLT-RTBURBONSA-N 1 0 368.433 4.439 20 5 FIBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000618984260 1125411639 /nfs/dbraw/zinc/41/16/39/1125411639.db2.gz IHOWVLUIZGUCGI-VOJFVSQTSA-N 1 0 366.421 4.250 20 5 FIBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618987549 1125412463 /nfs/dbraw/zinc/41/24/63/1125412463.db2.gz BZWKKNWMUXTAHJ-JSNMRZPZSA-N 1 0 354.450 4.071 20 5 FIBDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000105727738 209267973 /nfs/dbraw/zinc/26/79/73/209267973.db2.gz CYCMRXQLWIOWAV-IBGZPJMESA-N 1 0 354.406 4.107 20 5 FIBDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000481426825 567925212 /nfs/dbraw/zinc/92/52/12/567925212.db2.gz OIGNLSUBJMVNDS-PIGZYNQJSA-N 1 0 352.793 4.253 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481596721 568061698 /nfs/dbraw/zinc/06/16/98/568061698.db2.gz VWBLAXBDOWDDAW-MRXNPFEDSA-N 1 0 372.440 4.173 20 5 FIBDRO C[C@@H]([NH2+]C1(CNc2c(F)cccc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000568612491 568087597 /nfs/dbraw/zinc/08/75/97/568087597.db2.gz OAGOYTJKCYSRCM-OAHLLOKOSA-N 1 0 373.428 4.046 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@]2(C1)OCc1ccccc12 ZINC000481701800 568092122 /nfs/dbraw/zinc/09/21/22/568092122.db2.gz FYBZIHHRESFMHF-LJQANCHMSA-N 1 0 358.825 4.270 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481715106 568093828 /nfs/dbraw/zinc/09/38/28/568093828.db2.gz WRFMFPATUWFOEK-HRAATJIYSA-N 1 0 352.434 4.486 20 5 FIBDRO CC[C@@H](C[N@H+](CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1ccccc1 ZINC000481747655 568108354 /nfs/dbraw/zinc/10/83/54/568108354.db2.gz HXSIWKHAWRBACC-KRWDZBQOSA-N 1 0 369.465 4.357 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)C1CC1 ZINC000482003937 568226239 /nfs/dbraw/zinc/22/62/39/568226239.db2.gz GRXGVIHIMUXLLD-HXUWFJFHSA-N 1 0 367.424 4.369 20 5 FIBDRO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291635340 568235995 /nfs/dbraw/zinc/23/59/95/568235995.db2.gz SSADBVSOIHPALS-ZDUSSCGKSA-N 1 0 368.220 4.169 20 5 FIBDRO CCC[C@@H](C)[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000604475537 568299159 /nfs/dbraw/zinc/29/91/59/568299159.db2.gz KTXSZJFZFRVVBB-OAHLLOKOSA-N 1 0 358.438 4.461 20 5 FIBDRO COc1ncccc1CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000569158732 568300278 /nfs/dbraw/zinc/30/02/78/568300278.db2.gz PREGUVGYHKYBMD-UHFFFAOYSA-N 1 0 369.446 4.059 20 5 FIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000569785472 568424606 /nfs/dbraw/zinc/42/46/06/568424606.db2.gz YXKAPRKBYKUFPA-INIZCTEOSA-N 1 0 367.449 4.241 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C/C=C/c3ccc(F)cc3F)c2c1 ZINC000570429189 568475779 /nfs/dbraw/zinc/47/57/79/568475779.db2.gz ICFUKEJJESZHKU-OWOJBTEDSA-N 1 0 357.360 4.200 20 5 FIBDRO CCCN(CC(=O)Nc1ccccc1C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000078491663 1125541731 /nfs/dbraw/zinc/54/17/31/1125541731.db2.gz VQWWXYYLQVDPSJ-MRXNPFEDSA-N 1 0 355.438 4.315 20 5 FIBDRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000182627796 1125588248 /nfs/dbraw/zinc/58/82/48/1125588248.db2.gz YXZVQCCGZFFPSH-CQSZACIVSA-N 1 0 373.428 4.318 20 5 FIBDRO CC(=O)c1ccc(N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000557753131 1079632184 /nfs/dbraw/zinc/63/21/84/1079632184.db2.gz SUZHJYMIRLZLOH-JLTOFOAXSA-N 1 0 355.438 4.209 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]CCCOC3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000608837018 1079638429 /nfs/dbraw/zinc/63/84/29/1079638429.db2.gz WBJZAVLGULKRKF-UHFFFAOYSA-N 1 0 374.437 4.302 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)o2)c1 ZINC000535808670 1079792394 /nfs/dbraw/zinc/79/23/94/1079792394.db2.gz QYXFMRVFTSDHBS-DLBZAZTESA-N 1 0 356.422 4.103 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000430218662 1080000950 /nfs/dbraw/zinc/00/09/50/1080000950.db2.gz NHUPBDOFQRUSHP-KPZWWZAWSA-N 1 0 364.829 4.123 20 5 FIBDRO O=C(CC[N@H+](CC1CCCCC1)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC001167094280 1080329897 /nfs/dbraw/zinc/32/98/97/1080329897.db2.gz KGYQPXDCFHCMHX-UHFFFAOYSA-N 1 0 363.433 4.107 20 5 FIBDRO CC(C)[N@H+](CCc1ccccc1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001167219149 1080860384 /nfs/dbraw/zinc/86/03/84/1080860384.db2.gz XKEABSBQUFPBRK-UHFFFAOYSA-N 1 0 366.421 4.098 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001167256545 1080915655 /nfs/dbraw/zinc/91/56/55/1080915655.db2.gz ZHYDIAWHRLPRGV-RTBURBONSA-N 1 0 359.514 4.408 20 5 FIBDRO CCC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](=O)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000247186894 1080938664 /nfs/dbraw/zinc/93/86/64/1080938664.db2.gz UDWSRPQEMIRTBD-XWFIKDQWSA-N 1 0 352.500 4.105 20 5 FIBDRO CC(C)(CCO)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000610271389 1080999575 /nfs/dbraw/zinc/99/95/75/1080999575.db2.gz RYNKDWMGWCDKST-UHFFFAOYSA-N 1 0 364.829 4.291 20 5 FIBDRO C[N@H+](Cc1ccco1)Cc1ccccc1CNc1ccsc1[N+](=O)[O-] ZINC000610279468 1081169361 /nfs/dbraw/zinc/16/93/61/1081169361.db2.gz ACEFIXRBUISVHG-UHFFFAOYSA-N 1 0 357.435 4.493 20 5 FIBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H](C)c1cccc(OC)c1 ZINC000083175664 1081284417 /nfs/dbraw/zinc/28/44/17/1081284417.db2.gz GYKRUGVOEBPKAU-CYBMUJFWSA-N 1 0 355.394 4.328 20 5 FIBDRO C[C@H]1C[C@@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000610003580 1081371148 /nfs/dbraw/zinc/37/11/48/1081371148.db2.gz XERCDIVENPXBQU-WMZOPIPTSA-N 1 0 371.456 4.219 20 5 FIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255143551 1081460036 /nfs/dbraw/zinc/46/00/36/1081460036.db2.gz NHNLIJZYATYRJW-FLIBITNWSA-N 1 0 365.433 4.151 20 5 FIBDRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000610369504 1081554284 /nfs/dbraw/zinc/55/42/84/1081554284.db2.gz FHXIORNRXUCVSY-OXQOHEQNSA-N 1 0 373.497 4.159 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccccc1OC(F)F ZINC000471535702 1081572252 /nfs/dbraw/zinc/57/22/52/1081572252.db2.gz HBAYMWCUSNQCST-SDNWHVSQSA-N 1 0 362.376 4.432 20 5 FIBDRO C[C@@H](N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610420442 1081835040 /nfs/dbraw/zinc/83/50/40/1081835040.db2.gz IAWPQWRURWCKGM-DYESRHJHSA-N 1 0 353.466 4.473 20 5 FIBDRO COc1cccc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000379664034 1081851623 /nfs/dbraw/zinc/85/16/23/1081851623.db2.gz NNBVNBWUAUQHGQ-WBVHZDCISA-N 1 0 355.438 4.068 20 5 FIBDRO C[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379656995 1081852090 /nfs/dbraw/zinc/85/20/90/1081852090.db2.gz RDPUZLQPCXDZMT-QAPCUYQASA-N 1 0 373.884 4.391 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC001125441166 1081856334 /nfs/dbraw/zinc/85/63/34/1081856334.db2.gz IBDNZMDKJGRRFH-UHFFFAOYSA-N 1 0 367.449 4.102 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2c3ccccc3C[C@H]2O)s1 ZINC000119191560 1082006696 /nfs/dbraw/zinc/00/66/96/1082006696.db2.gz XCULHFGZAOGFNX-UYAOXDASSA-N 1 0 366.442 4.071 20 5 FIBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000119291845 1082091116 /nfs/dbraw/zinc/09/11/16/1082091116.db2.gz BZVLWOFJSAXDBO-ZDUSSCGKSA-N 1 0 360.845 4.281 20 5 FIBDRO CC[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1C)c1cccc([N+](=O)[O-])c1 ZINC000177851779 1082209755 /nfs/dbraw/zinc/20/97/55/1082209755.db2.gz BOLJVEXHPNAMFZ-MRXNPFEDSA-N 1 0 361.829 4.236 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)s1 ZINC000610469433 1082232273 /nfs/dbraw/zinc/23/22/73/1082232273.db2.gz OXIMRYGIQXLSSF-IBGZPJMESA-N 1 0 357.479 4.149 20 5 FIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)cc1N(C)C ZINC000580975645 1082263367 /nfs/dbraw/zinc/26/33/67/1082263367.db2.gz CFHGKUGHOIUUGE-CYBMUJFWSA-N 1 0 370.428 4.175 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000156841851 1082344418 /nfs/dbraw/zinc/34/44/18/1082344418.db2.gz CPUIZVIYVRGZNG-JKSUJKDBSA-N 1 0 367.449 4.442 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000177938464 1082352561 /nfs/dbraw/zinc/35/25/61/1082352561.db2.gz PONYFEHYAQYRQN-SPLOXXLWSA-N 1 0 368.433 4.476 20 5 FIBDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582146 1083211391 /nfs/dbraw/zinc/21/13/91/1083211391.db2.gz AJKATRUEAUKZAE-GFCCVEGCSA-N 1 0 359.813 4.452 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCS[C@@H]4CCCC[C@H]43)o2)c1 ZINC000610619588 1083265697 /nfs/dbraw/zinc/26/56/97/1083265697.db2.gz HHJYRIRJLXNVRP-SJLPKXTDSA-N 1 0 373.478 4.152 20 5 FIBDRO Cc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)s1 ZINC000179372314 1083393968 /nfs/dbraw/zinc/39/39/68/1083393968.db2.gz OIZNCHTWTHESQN-CHWSQXEVSA-N 1 0 361.467 4.259 20 5 FIBDRO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000610741158 1083401762 /nfs/dbraw/zinc/40/17/62/1083401762.db2.gz OXCOCBDYNKIBNN-GDBMZVCRSA-N 1 0 374.412 4.431 20 5 FIBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000179503833 1083513066 /nfs/dbraw/zinc/51/30/66/1083513066.db2.gz HNVZSXZQNLMWTL-DLBZAZTESA-N 1 0 352.793 4.162 20 5 FIBDRO C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(OC(F)F)c1 ZINC000179585704 1083569485 /nfs/dbraw/zinc/56/94/85/1083569485.db2.gz HKKNSRJXFCMJIO-SNVBAGLBSA-N 1 0 363.320 4.188 20 5 FIBDRO Cc1c(C[N@@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)cccc1[N+](=O)[O-] ZINC000614235843 1083579261 /nfs/dbraw/zinc/57/92/61/1083579261.db2.gz KJYQAZKABGOJAI-KRWDZBQOSA-N 1 0 364.449 4.165 20 5 FIBDRO COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000167236966 1083683723 /nfs/dbraw/zinc/68/37/23/1083683723.db2.gz JBNMROIMURXAQR-KRWDZBQOSA-N 1 0 372.465 4.478 20 5 FIBDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610804786 1083710881 /nfs/dbraw/zinc/71/08/81/1083710881.db2.gz GLMZOXUWKDJHOK-LSDHHAIUSA-N 1 0 359.857 4.425 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)cc1[N+](=O)[O-] ZINC000610813199 1083733797 /nfs/dbraw/zinc/73/37/97/1083733797.db2.gz PFLGFCVNGFLKHB-CZUORRHYSA-N 1 0 361.392 4.111 20 5 FIBDRO COc1ccc2[nH]cc(CC[NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3C)c2c1 ZINC000610817685 1083747809 /nfs/dbraw/zinc/74/78/09/1083747809.db2.gz KPOIHBRSZOQTRG-AWEZNQCLSA-N 1 0 353.422 4.286 20 5 FIBDRO Cn1cc(C[N@H+](C)[C@H]2CCc3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179905921 1083868736 /nfs/dbraw/zinc/86/87/36/1083868736.db2.gz FRDDNKKHNMYOGK-FQEVSTJZSA-N 1 0 362.433 4.115 20 5 FIBDRO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000236654806 1083889116 /nfs/dbraw/zinc/88/91/16/1083889116.db2.gz MJNKGNSWYNYVQB-UHFFFAOYSA-N 1 0 364.449 4.368 20 5 FIBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccc2c(c1)OCCO2 ZINC000178479501 1083983813 /nfs/dbraw/zinc/98/38/13/1083983813.db2.gz KSHGIEHDDZJDFK-KDOFPFPSSA-N 1 0 356.422 4.476 20 5 FIBDRO Cc1cc([C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1F ZINC000538323281 1084058907 /nfs/dbraw/zinc/05/89/07/1084058907.db2.gz MPURIJMJDUAOCP-FQEVSTJZSA-N 1 0 371.412 4.112 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3cc(F)c(OC)cc32)cc1[N+](=O)[O-] ZINC000511019375 1084213814 /nfs/dbraw/zinc/21/38/14/1084213814.db2.gz VOWVWLSOFLBARZ-SJCJKPOMSA-N 1 0 374.412 4.479 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] ZINC000156993473 1084287870 /nfs/dbraw/zinc/28/78/70/1084287870.db2.gz DBBAPJAPLWEVIM-CABCVRRESA-N 1 0 369.421 4.272 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000539055847 1084303261 /nfs/dbraw/zinc/30/32/61/1084303261.db2.gz LNVAFFIYYYWNDV-OXQOHEQNSA-N 1 0 356.466 4.356 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000539069456 1084303297 /nfs/dbraw/zinc/30/32/97/1084303297.db2.gz FMAQGIIOMDYNTM-UKRRQHHQSA-N 1 0 373.840 4.013 20 5 FIBDRO CC[C@@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000157045071 1084305389 /nfs/dbraw/zinc/30/53/89/1084305389.db2.gz BNSNRDYPAITPDZ-AUUYWEPGSA-N 1 0 369.421 4.353 20 5 FIBDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000579971524 1084309912 /nfs/dbraw/zinc/30/99/12/1084309912.db2.gz DVAMIOIZSKJNTM-CXAGYDPISA-N 1 0 356.422 4.259 20 5 FIBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000539255356 1084441624 /nfs/dbraw/zinc/44/16/24/1084441624.db2.gz JWIITAPUHXNPGF-OAHLLOKOSA-N 1 0 361.829 4.236 20 5 FIBDRO CC(F)(F)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000551239697 1084579774 /nfs/dbraw/zinc/57/97/74/1084579774.db2.gz ZTNQNCMXMNGBFP-HZPDHXFCSA-N 1 0 364.396 4.177 20 5 FIBDRO Cc1ccc(-c2cc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])on2)cc1 ZINC000511072868 1084599487 /nfs/dbraw/zinc/59/94/87/1084599487.db2.gz MVYORPLYQQOHRZ-UHFFFAOYSA-N 1 0 351.406 4.233 20 5 FIBDRO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511073422 1084626514 /nfs/dbraw/zinc/62/65/14/1084626514.db2.gz POYOBPZTDHKFOR-ZDUSSCGKSA-N 1 0 350.365 4.432 20 5 FIBDRO CN(C)C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000563249733 1084633442 /nfs/dbraw/zinc/63/34/42/1084633442.db2.gz KIPHOGYGOSUOCL-LZCIBIBXSA-N 1 0 359.857 4.154 20 5 FIBDRO Cc1cccc(C)c1NC(=O)CCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511083365 1084712214 /nfs/dbraw/zinc/71/22/14/1084712214.db2.gz YMECFGISLDCWRA-UHFFFAOYSA-N 1 0 369.465 4.105 20 5 FIBDRO C[C@H]([NH2+]CCOc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000540375749 1084784563 /nfs/dbraw/zinc/78/45/63/1084784563.db2.gz JSRNMZMDVOCAIJ-LBPRGKRZSA-N 1 0 365.227 4.087 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H](NC2CC[NH+](CC3CC3)CC2)c2ccccc2)c1 ZINC000180167049 1084786130 /nfs/dbraw/zinc/78/61/30/1084786130.db2.gz OQCCBLGUAAZZJW-QFIPXVFZSA-N 1 0 365.477 4.148 20 5 FIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000548710462 1084788153 /nfs/dbraw/zinc/78/81/53/1084788153.db2.gz PHDJONORWBAYBP-FQEVSTJZSA-N 1 0 351.381 4.051 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000540906531 1084796088 /nfs/dbraw/zinc/79/60/88/1084796088.db2.gz FEWKOGPEJNAHDP-NRFANRHFSA-N 1 0 367.449 4.073 20 5 FIBDRO CC[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(OC)cc1 ZINC000582324483 1084869358 /nfs/dbraw/zinc/86/93/58/1084869358.db2.gz VREWNOCYOWRJTI-LJQANCHMSA-N 1 0 353.422 4.368 20 5 FIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccccc1Oc1cccnc1 ZINC000511108756 1084936986 /nfs/dbraw/zinc/93/69/86/1084936986.db2.gz RMLOCZRNYFNWLU-UHFFFAOYSA-N 1 0 363.417 4.457 20 5 FIBDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1C ZINC000478486433 1084953814 /nfs/dbraw/zinc/95/38/14/1084953814.db2.gz FUGHWXOBXRTTCH-CQSZACIVSA-N 1 0 355.438 4.027 20 5 FIBDRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CC3 ZINC000478510888 1084956651 /nfs/dbraw/zinc/95/66/51/1084956651.db2.gz ZVUXSYKNEAVVOU-HNNXBMFYSA-N 1 0 365.433 4.040 20 5 FIBDRO COc1ccc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)cc1OC ZINC000302063093 1085045895 /nfs/dbraw/zinc/04/58/95/1085045895.db2.gz ACAHHQWSYABDET-UHFFFAOYSA-N 1 0 353.378 4.081 20 5 FIBDRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000537975615 1085053223 /nfs/dbraw/zinc/05/32/23/1085053223.db2.gz WLDVQBQTYOBGET-GFCCVEGCSA-N 1 0 363.483 4.387 20 5 FIBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C1 ZINC000158371849 1085056255 /nfs/dbraw/zinc/05/62/55/1085056255.db2.gz VXKVHCWTMVPXME-UHFFFAOYSA-N 1 0 373.840 4.472 20 5 FIBDRO CC1(C)C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(C)(C)O1 ZINC000180368141 1085077120 /nfs/dbraw/zinc/07/71/20/1085077120.db2.gz BCNGTPOMXYESCN-HNNXBMFYSA-N 1 0 361.467 4.154 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC000479490656 1085171046 /nfs/dbraw/zinc/17/10/46/1085171046.db2.gz QENBLZSLUNQFIB-OQIJWPOYSA-N 1 0 372.444 4.340 20 5 FIBDRO CCC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCCCO1 ZINC000106866086 1085234511 /nfs/dbraw/zinc/23/45/11/1085234511.db2.gz RBBWMVBKAQVQSW-GOSISDBHSA-N 1 0 373.453 4.073 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178641263 1085419895 /nfs/dbraw/zinc/41/98/95/1085419895.db2.gz OEHQFXFRCRYDBY-AWEZNQCLSA-N 1 0 365.389 4.291 20 5 FIBDRO CC(C)N(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1cccnc1 ZINC000093225481 1085446976 /nfs/dbraw/zinc/44/69/76/1085446976.db2.gz NWFSRACVTQQCRH-UHFFFAOYSA-N 1 0 352.394 4.055 20 5 FIBDRO Cn1cc([C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C(C)(C)C)cn1 ZINC000549535608 1085460604 /nfs/dbraw/zinc/46/06/04/1085460604.db2.gz HBICLJYVZBKAAI-OAHLLOKOSA-N 1 0 370.375 4.224 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H](c2cccnc2)C2CC2)c1 ZINC000549544304 1085518939 /nfs/dbraw/zinc/51/89/39/1085518939.db2.gz KRHKJTPANRAALF-MRXNPFEDSA-N 1 0 351.328 4.250 20 5 FIBDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178649323 1085575140 /nfs/dbraw/zinc/57/51/40/1085575140.db2.gz QMXOQLCRJUFQEI-OAHLLOKOSA-N 1 0 358.413 4.133 20 5 FIBDRO CCc1noc(-c2ccc(CC[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000178653779 1085675703 /nfs/dbraw/zinc/67/57/03/1085675703.db2.gz YRHAXPSZTOKCDP-CQSZACIVSA-N 1 0 366.421 4.101 20 5 FIBDRO Cc1c(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000611938132 1085694848 /nfs/dbraw/zinc/69/48/48/1085694848.db2.gz KJPREJIXPXLJAK-FQEVSTJZSA-N 1 0 353.466 4.220 20 5 FIBDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000178679994 1085778427 /nfs/dbraw/zinc/77/84/27/1085778427.db2.gz FWNQNISSTICIRL-HOTGVXAUSA-N 1 0 355.438 4.198 20 5 FIBDRO CC(C)c1ccc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1[N+](=O)[O-] ZINC001126142828 1085812001 /nfs/dbraw/zinc/81/20/01/1085812001.db2.gz KITHMIGTAZHPOM-UHFFFAOYSA-N 1 0 373.497 4.055 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000104707826 1085813550 /nfs/dbraw/zinc/81/35/50/1085813550.db2.gz SBMKFWSIDXTILY-UHFFFAOYSA-N 1 0 373.840 4.164 20 5 FIBDRO Cc1cc2oc(=O)cc(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2cc1C ZINC000178684802 1085828925 /nfs/dbraw/zinc/82/89/25/1085828925.db2.gz YQJTVUIWVUDFLC-HNNXBMFYSA-N 1 0 366.417 4.477 20 5 FIBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1c1ccccc1 ZINC000582878288 1085869280 /nfs/dbraw/zinc/86/92/80/1085869280.db2.gz OTKHWMIMVJSMJG-JXFKEZNVSA-N 1 0 367.449 4.049 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(-n2nc(C)cc2C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000162810656 1086502403 /nfs/dbraw/zinc/50/24/03/1086502403.db2.gz FTGBELWWNSOKFE-LJQANCHMSA-N 1 0 365.437 4.033 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc([S@@](C)=O)cc1 ZINC000278886681 1086530193 /nfs/dbraw/zinc/53/01/93/1086530193.db2.gz YIDCCTBIZUFNDL-MFMWZZQQSA-N 1 0 358.463 4.060 20 5 FIBDRO Cc1cc(N2CCCN3c4ccccc4C[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000583354176 1086602920 /nfs/dbraw/zinc/60/29/20/1086602920.db2.gz ATVJKBJRWBUQHX-GOSISDBHSA-N 1 0 374.444 4.093 20 5 FIBDRO Cc1c(C[NH2+]Cc2cccc(NC(=O)CC(C)C)c2)cccc1[N+](=O)[O-] ZINC001648930871 1086623210 /nfs/dbraw/zinc/62/32/10/1086623210.db2.gz MTGJKSQFNBGHJI-UHFFFAOYSA-N 1 0 355.438 4.178 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2ccc3c[nH]nc3c2)o1 ZINC000585743410 1086682334 /nfs/dbraw/zinc/68/23/34/1086682334.db2.gz GRLSKTWQHYTRTK-UHFFFAOYSA-N 1 0 362.389 4.063 20 5 FIBDRO CC1(C)C[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)c2cc([N+](=O)[O-])ccc21 ZINC000585765407 1086691843 /nfs/dbraw/zinc/69/18/43/1086691843.db2.gz BEYDPYXMLKKQNL-IBGZPJMESA-N 1 0 350.422 4.026 20 5 FIBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(NC(N)=O)cc1 ZINC000279122903 1086814948 /nfs/dbraw/zinc/81/49/48/1086814948.db2.gz QFXURQGPNXSPPZ-KZULUSFZSA-N 1 0 368.437 4.159 20 5 FIBDRO CCc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000472294282 1086829989 /nfs/dbraw/zinc/82/99/89/1086829989.db2.gz GJZYKVULYBINRW-UHFFFAOYSA-N 1 0 353.422 4.005 20 5 FIBDRO C[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000512154514 1086847597 /nfs/dbraw/zinc/84/75/97/1086847597.db2.gz YOPSQRSUKHZXML-YWZLYKJASA-N 1 0 368.433 4.435 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246214187 1086908261 /nfs/dbraw/zinc/90/82/61/1086908261.db2.gz YKEIOUDSYVNRMJ-IAGOWNOFSA-N 1 0 374.485 4.022 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cnn(Cc2ccccc2)c1 ZINC000090853607 1087415309 /nfs/dbraw/zinc/41/53/09/1087415309.db2.gz XZDPYDKEMFUVOO-JKSUJKDBSA-N 1 0 350.422 4.251 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000289924369 1087426027 /nfs/dbraw/zinc/42/60/27/1087426027.db2.gz VPJBYEAYBRYPRF-FQEVSTJZSA-N 1 0 352.434 4.087 20 5 FIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000480410269 1087441164 /nfs/dbraw/zinc/44/11/64/1087441164.db2.gz ZPRAFICGMAHQLM-NVXWUHKLSA-N 1 0 362.433 4.390 20 5 FIBDRO CCOc1ccc([C@@H](C)N[C@H]2CCOc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000188050420 1087693110 /nfs/dbraw/zinc/69/31/10/1087693110.db2.gz VTIKELMSDGVWLZ-WBMJQRKESA-N 1 0 360.385 4.307 20 5 FIBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000612072706 1087737673 /nfs/dbraw/zinc/73/76/73/1087737673.db2.gz RSLKOHJCKZQOCA-UHFFFAOYSA-N 1 0 369.468 4.380 20 5 FIBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cc3ccccc3c3cccnc23)cc1 ZINC000612074457 1087738697 /nfs/dbraw/zinc/73/86/97/1087738697.db2.gz LIYLDLIFNWMLCU-UHFFFAOYSA-N 1 0 369.468 4.380 20 5 FIBDRO C[NH+](C)Cc1cnc(/C=C(/c2ccncc2)c2ccc([N+](=O)[O-])cc2)s1 ZINC000504710851 1087794645 /nfs/dbraw/zinc/79/46/45/1087794645.db2.gz FFZDINPHDGMVTG-WOJGMQOQSA-N 1 0 366.446 4.097 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)Oc2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000504900557 1087956207 /nfs/dbraw/zinc/95/62/07/1087956207.db2.gz ZNLHNUQZCDRUIU-GJZGRUSLSA-N 1 0 374.437 4.120 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](c2ccsc2)N(C)C)cc1[N+](=O)[O-] ZINC000504896698 1087969208 /nfs/dbraw/zinc/96/92/08/1087969208.db2.gz ZKBNGZPINABIHQ-GUYCJALGSA-N 1 0 363.483 4.009 20 5 FIBDRO CCc1nc(C[NH2+][C@H](CC)CSc2ccccc2[N+](=O)[O-])cs1 ZINC000504905554 1087975538 /nfs/dbraw/zinc/97/55/38/1087975538.db2.gz KESCIUIMDWKAQG-GFCCVEGCSA-N 1 0 351.497 4.274 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2OC)cc1[N+](=O)[O-] ZINC000504905429 1087975713 /nfs/dbraw/zinc/97/57/13/1087975713.db2.gz IKVSPSCNMLVXAS-LSDHHAIUSA-N 1 0 374.437 4.120 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)Oc2ccccc2OC)cc1[N+](=O)[O-] ZINC000504905427 1087975866 /nfs/dbraw/zinc/97/58/66/1087975866.db2.gz IKVSPSCNMLVXAS-GJZGRUSLSA-N 1 0 374.437 4.120 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCCc2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000504905106 1087976013 /nfs/dbraw/zinc/97/60/13/1087976013.db2.gz CHWXGDJCYQILHX-HNNXBMFYSA-N 1 0 358.438 4.286 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000504927556 1087994602 /nfs/dbraw/zinc/99/46/02/1087994602.db2.gz QPPQGQWHIWGJOG-GJZGRUSLSA-N 1 0 364.467 4.344 20 5 FIBDRO C[C@@H]([NH2+]CCOCC(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000188745242 1088083698 /nfs/dbraw/zinc/08/36/98/1088083698.db2.gz AXULGMFWATVBMO-LLVKDONJSA-N 1 0 356.394 4.256 20 5 FIBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000180903770 1088159752 /nfs/dbraw/zinc/15/97/52/1088159752.db2.gz MKHVQGLTQBUUIU-VFNWGFHPSA-N 1 0 363.417 4.041 20 5 FIBDRO CSC1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000180920582 1088165392 /nfs/dbraw/zinc/16/53/92/1088165392.db2.gz QJUMKSRSSNNVOR-IBGZPJMESA-N 1 0 372.490 4.186 20 5 FIBDRO COc1cccc(C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c1 ZINC000177030518 1088179326 /nfs/dbraw/zinc/17/93/26/1088179326.db2.gz ZHAIXSRDTKFHBF-UHFFFAOYSA-N 1 0 367.405 4.124 20 5 FIBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000181315403 1088303949 /nfs/dbraw/zinc/30/39/49/1088303949.db2.gz ICYJZUWTSABGFS-WDEREUQCSA-N 1 0 370.375 4.382 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCC2=O)cc1 ZINC000181355701 1088344432 /nfs/dbraw/zinc/34/44/32/1088344432.db2.gz NJWCAMOJLNNPEU-CYBMUJFWSA-N 1 0 373.840 4.226 20 5 FIBDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000177553591 1088354856 /nfs/dbraw/zinc/35/48/56/1088354856.db2.gz WEYBDJZPNIWVDQ-KSSFIOAISA-N 1 0 364.405 4.023 20 5 FIBDRO COC[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000513824949 1088452137 /nfs/dbraw/zinc/45/21/37/1088452137.db2.gz SWVKXLSRMQWSKD-NJAFHUGGSA-N 1 0 358.438 4.185 20 5 FIBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc2ccccc2c2cccnc12 ZINC000434422129 1088612223 /nfs/dbraw/zinc/61/22/23/1088612223.db2.gz PAHMLRILYVNODF-GOSISDBHSA-N 1 0 359.473 4.135 20 5 FIBDRO Cc1cccc2nc(C3CC[NH+](Cc4ccc([N+](=O)[O-])cc4)CC3)oc21 ZINC000189798279 1088641431 /nfs/dbraw/zinc/64/14/31/1088641431.db2.gz MASGTTBEPSENFU-UHFFFAOYSA-N 1 0 351.406 4.424 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000514067742 1088686220 /nfs/dbraw/zinc/68/62/20/1088686220.db2.gz UBXXMVXTUQEVEC-KRWDZBQOSA-N 1 0 369.465 4.410 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000480701818 1088701787 /nfs/dbraw/zinc/70/17/87/1088701787.db2.gz VOXDLMFVNMLBFV-IBGZPJMESA-N 1 0 354.454 4.221 20 5 FIBDRO Cc1ccc2c(C[N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)ccc(O)c2n1 ZINC000514076281 1088702839 /nfs/dbraw/zinc/70/28/39/1088702839.db2.gz VWRSSXUTBJWRKV-UHFFFAOYSA-N 1 0 363.417 4.322 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1 ZINC000514077746 1088714177 /nfs/dbraw/zinc/71/41/77/1088714177.db2.gz YRRXPVYXUSOXAZ-IPELMVKDSA-N 1 0 370.474 4.371 20 5 FIBDRO Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000414539797 1088817772 /nfs/dbraw/zinc/81/77/72/1088817772.db2.gz BJBCMFZBQLPJGL-HXUWFJFHSA-N 1 0 352.434 4.257 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000414566727 1088835451 /nfs/dbraw/zinc/83/54/51/1088835451.db2.gz XHVQIDRUEOOYBR-ISPXXFMDSA-N 1 0 364.445 4.462 20 5 FIBDRO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000434615076 1088857172 /nfs/dbraw/zinc/85/71/72/1088857172.db2.gz LVEACTDSWBJEJJ-HXUWFJFHSA-N 1 0 373.428 4.026 20 5 FIBDRO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000055152031 1088888022 /nfs/dbraw/zinc/88/80/22/1088888022.db2.gz KCOYWIPSCGFSDR-GJZGRUSLSA-N 1 0 371.437 4.060 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000181539270 1089044771 /nfs/dbraw/zinc/04/47/71/1089044771.db2.gz LGZPIOXUQBGFCK-GDBMZVCRSA-N 1 0 355.438 4.014 20 5 FIBDRO C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549168468 1089094048 /nfs/dbraw/zinc/09/40/48/1089094048.db2.gz LILFZKKOLGHKCC-CYBMUJFWSA-N 1 0 350.365 4.432 20 5 FIBDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000549170890 1089104953 /nfs/dbraw/zinc/10/49/53/1089104953.db2.gz QDHYXFVHQJMXPU-NVXWUHKLSA-N 1 0 362.433 4.193 20 5 FIBDRO C[C@H]1C[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000549170884 1089105088 /nfs/dbraw/zinc/10/50/88/1089105088.db2.gz QDHYXFVHQJMXPU-DOTOQJQBSA-N 1 0 362.433 4.193 20 5 FIBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000425232767 1089105921 /nfs/dbraw/zinc/10/59/21/1089105921.db2.gz FTKUFENWVAURGN-ZDUSSCGKSA-N 1 0 360.845 4.281 20 5 FIBDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000435056115 1089246151 /nfs/dbraw/zinc/24/61/51/1089246151.db2.gz LQFPXQCFBUCPMO-HUUCEWRRSA-N 1 0 351.406 4.422 20 5 FIBDRO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C1(C)C ZINC001167958326 1089402018 /nfs/dbraw/zinc/40/20/18/1089402018.db2.gz HCOOGEMNSXWMDO-ROUUACIJSA-N 1 0 350.459 4.019 20 5 FIBDRO Cc1cc(C[C@@H](C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[nH]n1 ZINC000136793977 1089548746 /nfs/dbraw/zinc/54/87/46/1089548746.db2.gz AJRXOQKNWNBIPY-LLVKDONJSA-N 1 0 374.828 4.261 20 5 FIBDRO C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000514894149 1089568998 /nfs/dbraw/zinc/56/89/98/1089568998.db2.gz OVNRPDPMSIRTQU-OLZOCXBDSA-N 1 0 368.462 4.255 20 5 FIBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000514898164 1089585584 /nfs/dbraw/zinc/58/55/84/1089585584.db2.gz ZEMMWFAUIYETNX-UHFFFAOYSA-N 1 0 363.820 4.100 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000515245679 1089921640 /nfs/dbraw/zinc/92/16/40/1089921640.db2.gz MTTDGHLJPATHQH-HNNXBMFYSA-N 1 0 353.422 4.222 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000515245681 1089921873 /nfs/dbraw/zinc/92/18/73/1089921873.db2.gz MTTDGHLJPATHQH-OAHLLOKOSA-N 1 0 353.422 4.222 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](c2ccccc2)C2CCC2)c2c(c1)COCO2 ZINC000104701089 1090309922 /nfs/dbraw/zinc/30/99/22/1090309922.db2.gz YCFLMEAYPVGNGW-IBGZPJMESA-N 1 0 354.406 4.092 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)c2c(c1)COCO2 ZINC000104705902 1090310229 /nfs/dbraw/zinc/31/02/29/1090310229.db2.gz OEJUJVMBPDEIQR-IBGZPJMESA-N 1 0 372.396 4.231 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000378405696 1090350760 /nfs/dbraw/zinc/35/07/60/1090350760.db2.gz SBSACXXEAPOPHA-FQEVSTJZSA-N 1 0 350.422 4.236 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccc(NC(N)=O)cc1 ZINC000417302707 1090791185 /nfs/dbraw/zinc/79/11/85/1090791185.db2.gz CTCUSBFANJFCRH-ORAYPTAESA-N 1 0 368.437 4.204 20 5 FIBDRO CC(=O)Nc1cccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417302803 1090792800 /nfs/dbraw/zinc/79/28/00/1090792800.db2.gz BTXRKZUKBDPOFW-HXUWFJFHSA-N 1 0 353.422 4.111 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccccn3)CC1)CCCC2 ZINC000417329541 1090809981 /nfs/dbraw/zinc/80/99/81/1090809981.db2.gz UQTULNJPUMCGCO-FQEVSTJZSA-N 1 0 366.465 4.016 20 5 FIBDRO CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CCCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000417331912 1090821611 /nfs/dbraw/zinc/82/16/11/1090821611.db2.gz NAVHLQFSYVFXSQ-YLJYHZDGSA-N 1 0 368.481 4.287 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3c2cccc3Br)cs1 ZINC000105491814 1091023703 /nfs/dbraw/zinc/02/37/03/1091023703.db2.gz RUOWTGXCSQQYMV-CYBMUJFWSA-N 1 0 353.241 4.196 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(OC4CCC4)CC3)o2)cc1 ZINC000418091013 1091055797 /nfs/dbraw/zinc/05/57/97/1091055797.db2.gz MJGLGMKBLCIMAO-UHFFFAOYSA-N 1 0 356.422 4.388 20 5 FIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(OC[C@@H]2CCCO2)c1 ZINC000124287227 1091747027 /nfs/dbraw/zinc/74/70/27/1091747027.db2.gz JGSGLOMXPUQTTM-UZLBHIALSA-N 1 0 370.449 4.312 20 5 FIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000107713263 1091831637 /nfs/dbraw/zinc/83/16/37/1091831637.db2.gz LKJDRXFFSMLDLB-OAHLLOKOSA-N 1 0 374.746 4.090 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000512197140 1091891966 /nfs/dbraw/zinc/89/19/66/1091891966.db2.gz SKDWRPUEZAHDHB-OFIWPEFUSA-N 1 0 357.498 4.194 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000512218910 1091924880 /nfs/dbraw/zinc/92/48/80/1091924880.db2.gz MQULNUSWDXWKQL-QGZVFWFLSA-N 1 0 369.248 4.157 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]([C@H](C)c2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC000512257197 1091972531 /nfs/dbraw/zinc/97/25/31/1091972531.db2.gz BKKFMMHQUHUHCO-MRXNPFEDSA-N 1 0 367.449 4.457 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000572390581 1092033528 /nfs/dbraw/zinc/03/35/28/1092033528.db2.gz NJTJBPRVKSDKHL-KXBFYZLASA-N 1 0 370.453 4.025 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)c1 ZINC000520965737 1092390090 /nfs/dbraw/zinc/39/00/90/1092390090.db2.gz XYGJDLZIOMQHAY-UHFFFAOYSA-N 1 0 360.413 4.487 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2COc3ccccc3C2)s1 ZINC000520979745 1092407556 /nfs/dbraw/zinc/40/75/56/1092407556.db2.gz LJEZFDFKHGGGLE-OAHLLOKOSA-N 1 0 366.442 4.417 20 5 FIBDRO COc1cc(NC[C@H](c2ccc(SC)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000549685008 1092691221 /nfs/dbraw/zinc/69/12/21/1092691221.db2.gz BZQUDNMPVLTPSV-QGZVFWFLSA-N 1 0 361.467 4.040 20 5 FIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000549808365 1092813088 /nfs/dbraw/zinc/81/30/88/1092813088.db2.gz NILQZTGPFDJMFE-UHFFFAOYSA-N 1 0 370.840 4.313 20 5 FIBDRO CCOc1ccc2c(c1)[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])CCO2 ZINC000614101449 1092936050 /nfs/dbraw/zinc/93/60/50/1092936050.db2.gz ONAULCLFRXHHIW-LZCIBIBXSA-N 1 0 354.406 4.120 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)s1 ZINC000521910223 1092975193 /nfs/dbraw/zinc/97/51/93/1092975193.db2.gz PHXDJMLDLOBWGQ-UHFFFAOYSA-N 1 0 370.434 4.359 20 5 FIBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000433013123 1093090302 /nfs/dbraw/zinc/09/03/02/1093090302.db2.gz NGVLEQXBNJXTKT-HZSPNIEDSA-N 1 0 374.462 4.316 20 5 FIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000120474231 1093222249 /nfs/dbraw/zinc/22/22/49/1093222249.db2.gz DHXLLCCUJJWFSE-SNVBAGLBSA-N 1 0 368.220 4.191 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000433096367 1093235848 /nfs/dbraw/zinc/23/58/48/1093235848.db2.gz DNEMZQQTGFWCGP-ZWKOTPCHSA-N 1 0 353.466 4.470 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(-n3ccnc3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433127414 1093310598 /nfs/dbraw/zinc/31/05/98/1093310598.db2.gz SMCBVGLZQMDKKP-HXUWFJFHSA-N 1 0 362.433 4.293 20 5 FIBDRO COCCOc1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433151210 1093343661 /nfs/dbraw/zinc/34/36/61/1093343661.db2.gz NIGXDECLXBKNMY-HXUWFJFHSA-N 1 0 370.449 4.132 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000433192236 1093394990 /nfs/dbraw/zinc/39/49/90/1093394990.db2.gz KFKALZLFDGVFIS-NLBZTSMMSA-N 1 0 367.449 4.495 20 5 FIBDRO COCC[C@H](Cc1ccco1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433226641 1093450511 /nfs/dbraw/zinc/45/05/11/1093450511.db2.gz HMUFSXWLEUUNAO-KUHUBIRLSA-N 1 0 358.438 4.148 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000512874031 1093494405 /nfs/dbraw/zinc/49/44/05/1093494405.db2.gz JACUBTCXWPFMDH-GOSISDBHSA-N 1 0 368.462 4.298 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000433278242 1093519995 /nfs/dbraw/zinc/51/99/95/1093519995.db2.gz GFAMHZLABDDFFA-MRXNPFEDSA-N 1 0 357.429 4.003 20 5 FIBDRO C[C@H](O)C[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000433280883 1093524394 /nfs/dbraw/zinc/52/43/94/1093524394.db2.gz GFFMZRAGYRLALB-WJPUGNRLSA-N 1 0 368.477 4.462 20 5 FIBDRO Cc1ccnc(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000522417892 1093552589 /nfs/dbraw/zinc/55/25/89/1093552589.db2.gz VOSSASXPXMRXDM-MRXNPFEDSA-N 1 0 354.454 4.285 20 5 FIBDRO CC1(C)C[C@H]([NH2+]CCc2c[nH]c3ncccc23)c2cc([N+](=O)[O-])ccc21 ZINC000433305993 1093571707 /nfs/dbraw/zinc/57/17/07/1093571707.db2.gz QSTYFHFKVPFTTM-SFHVURJKSA-N 1 0 350.422 4.026 20 5 FIBDRO COc1ccc(C[NH2+]C2CCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237319906 1093645319 /nfs/dbraw/zinc/64/53/19/1093645319.db2.gz DOHKXHSIJSLSIX-UHFFFAOYSA-N 1 0 356.422 4.215 20 5 FIBDRO Cn1cc(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cn1 ZINC000067223359 1093702941 /nfs/dbraw/zinc/70/29/41/1093702941.db2.gz XVDDRUJENJATCO-UHFFFAOYSA-N 1 0 372.812 4.064 20 5 FIBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000513055848 1093705760 /nfs/dbraw/zinc/70/57/60/1093705760.db2.gz FFMYUZWHGICKFO-CWFSZBLJSA-N 1 0 358.413 4.175 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000047522407 1093954541 /nfs/dbraw/zinc/95/45/41/1093954541.db2.gz HTBKCMHSCSWIAF-HNNXBMFYSA-N 1 0 353.422 4.222 20 5 FIBDRO COc1ccccc1O[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000513367745 1094083495 /nfs/dbraw/zinc/08/34/95/1094083495.db2.gz RLBSUETUUNWFKO-CRAIPNDOSA-N 1 0 356.422 4.208 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000513405968 1094104796 /nfs/dbraw/zinc/10/47/96/1094104796.db2.gz KNKPGXCRDZTIPB-CYBMUJFWSA-N 1 0 354.410 4.109 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182786929 1094167250 /nfs/dbraw/zinc/16/72/50/1094167250.db2.gz WGIXLUHDQFTEAU-LBPRGKRZSA-N 1 0 366.364 4.098 20 5 FIBDRO CC(C)[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@@H](C)O ZINC000513656864 1094257909 /nfs/dbraw/zinc/25/79/09/1094257909.db2.gz YLMLSGDKWNTESO-GFCCVEGCSA-N 1 0 352.818 4.099 20 5 FIBDRO CC(C)C1CCC([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000513665026 1094272695 /nfs/dbraw/zinc/27/26/95/1094272695.db2.gz BEUVGXPCLLARNB-KVWWFHCMSA-N 1 0 356.470 4.222 20 5 FIBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[N@@H+]1CCc2sccc2C1 ZINC000025500409 1094326472 /nfs/dbraw/zinc/32/64/72/1094326472.db2.gz BDQIUUXRZFAOJF-CYBMUJFWSA-N 1 0 368.462 4.063 20 5 FIBDRO CC[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000513703613 1094393591 /nfs/dbraw/zinc/39/35/91/1094393591.db2.gz XXECUNHXXMRWAV-OXJNMPFZSA-N 1 0 364.449 4.201 20 5 FIBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000501034569 1094459130 /nfs/dbraw/zinc/45/91/30/1094459130.db2.gz CDGDOYDVCOIYLK-QGZVFWFLSA-N 1 0 367.449 4.049 20 5 FIBDRO Cn1c2ccccc2nc1C(C)(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000185635648 1094618620 /nfs/dbraw/zinc/61/86/20/1094618620.db2.gz QVGFBSNWGMJUSF-CSKARUKUSA-N 1 0 350.422 4.020 20 5 FIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(Cl)c4ccccc34)CC2)n1 ZINC000420915671 1095182810 /nfs/dbraw/zinc/18/28/10/1095182810.db2.gz FLONEXCQKDJJFB-UHFFFAOYSA-N 1 0 370.840 4.435 20 5 FIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420959456 1095202138 /nfs/dbraw/zinc/20/21/38/1095202138.db2.gz DZJFBIIEDPQCMH-XJKSGUPXSA-N 1 0 356.426 4.218 20 5 FIBDRO CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000502313357 1095364473 /nfs/dbraw/zinc/36/44/73/1095364473.db2.gz SMVMYFPELBIPIM-UONOGXRCSA-N 1 0 373.478 4.385 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CC=CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237183548 1095454773 /nfs/dbraw/zinc/45/47/73/1095454773.db2.gz AKXVRKRHFGOCOI-SFHVURJKSA-N 1 0 368.433 4.381 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503376147 1096377562 /nfs/dbraw/zinc/37/75/62/1096377562.db2.gz NMPCOVVLNRHGNI-INIZCTEOSA-N 1 0 351.450 4.183 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503408847 1096388079 /nfs/dbraw/zinc/38/80/79/1096388079.db2.gz UVWUQNWMMSTZAB-ORAYPTAESA-N 1 0 373.840 4.020 20 5 FIBDRO COc1cccc([C@@H](C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)OC)c1 ZINC001203216337 1096429469 /nfs/dbraw/zinc/42/94/69/1096429469.db2.gz RUTCSLAZZCAJMQ-HXUWFJFHSA-N 1 0 358.438 4.204 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC12CCOCC2 ZINC000503889225 1096584390 /nfs/dbraw/zinc/58/43/90/1096584390.db2.gz WDORSXWETOYURB-YJBOKZPZSA-N 1 0 364.511 4.404 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC12CCOCC2 ZINC000503889223 1096584864 /nfs/dbraw/zinc/58/48/64/1096584864.db2.gz WDORSXWETOYURB-MAUKXSAKSA-N 1 0 364.511 4.404 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc3c2CCCN3)cc1[N+](=O)[O-] ZINC000423409482 1096674532 /nfs/dbraw/zinc/67/45/32/1096674532.db2.gz BSAYXOHLGXQJHO-AWEZNQCLSA-N 1 0 355.438 4.202 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000515432797 1098588381 /nfs/dbraw/zinc/58/83/81/1098588381.db2.gz JUPBOVNFWUHWAX-PZJWPPBQSA-N 1 0 364.445 4.266 20 5 FIBDRO CC(C)([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1cccs1 ZINC000425429708 1098605982 /nfs/dbraw/zinc/60/59/82/1098605982.db2.gz APMRZBNJZVPTTJ-UHFFFAOYSA-N 1 0 355.257 4.444 20 5 FIBDRO CC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000425445791 1098662077 /nfs/dbraw/zinc/66/20/77/1098662077.db2.gz NLIPWUHBZQRKQS-AWEZNQCLSA-N 1 0 371.275 4.137 20 5 FIBDRO C[C@@H](C[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-])c1nccs1 ZINC000425453266 1098695265 /nfs/dbraw/zinc/69/52/65/1098695265.db2.gz DXBHIAOUFCNEBJ-JTQLQIEISA-N 1 0 370.272 4.049 20 5 FIBDRO CCC[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000436315463 1098922650 /nfs/dbraw/zinc/92/26/50/1098922650.db2.gz PNGKDWKIKLWTDC-HBFSDRIKSA-N 1 0 373.497 4.207 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+][C@@H](c2ccccc2)C2CCC2)cccc1[N+](=O)[O-] ZINC000533505931 1099112339 /nfs/dbraw/zinc/11/23/39/1099112339.db2.gz QRFGWDWASNDABH-NRFANRHFSA-N 1 0 367.449 4.363 20 5 FIBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000516272454 1099337044 /nfs/dbraw/zinc/33/70/44/1099337044.db2.gz JLLDSPDOKDOLSP-UHFFFAOYSA-N 1 0 370.881 4.080 20 5 FIBDRO COc1ccc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)cc1[N+](=O)[O-] ZINC000237389622 1099460976 /nfs/dbraw/zinc/46/09/76/1099460976.db2.gz CIVDXETYCGYSNN-UHFFFAOYSA-N 1 0 359.813 4.070 20 5 FIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCC2(CCCC2)C1 ZINC000615000785 1099500111 /nfs/dbraw/zinc/50/01/11/1099500111.db2.gz UHLVZIKJVMXTGL-CQSZACIVSA-N 1 0 356.426 4.362 20 5 FIBDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000516926247 1099936732 /nfs/dbraw/zinc/93/67/32/1099936732.db2.gz HJNOEFSJHGLYNP-XLIONFOSSA-N 1 0 365.477 4.443 20 5 FIBDRO C[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC12CCC2 ZINC000536692954 1100190936 /nfs/dbraw/zinc/19/09/36/1100190936.db2.gz ISLKVEHKAISVKT-OAHLLOKOSA-N 1 0 355.438 4.304 20 5 FIBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](C)C2(CCC2)C1 ZINC000536703804 1100210878 /nfs/dbraw/zinc/21/08/78/1100210878.db2.gz ZNINXKKZJTYCPH-STQMWFEESA-N 1 0 365.861 4.087 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(c3ccccc3)C1)CCC2 ZINC000249036302 1100262366 /nfs/dbraw/zinc/26/23/66/1100262366.db2.gz SSDCRLZVBPNRFE-KKSFZXQISA-N 1 0 351.450 4.088 20 5 FIBDRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536806649 1100311468 /nfs/dbraw/zinc/31/14/68/1100311468.db2.gz QDJGKBWWAKWRLQ-KBPBESRZSA-N 1 0 356.451 4.259 20 5 FIBDRO CC[C@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000536834462 1100344763 /nfs/dbraw/zinc/34/47/63/1100344763.db2.gz VNAOZECKRQRCBR-AWEZNQCLSA-N 1 0 369.343 4.128 20 5 FIBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 ZINC000536840479 1100351962 /nfs/dbraw/zinc/35/19/62/1100351962.db2.gz QXSGWGNXHYDEHE-CYBMUJFWSA-N 1 0 368.355 4.429 20 5 FIBDRO CC[C@@H]([NH2+]CCc1nc(-c2ccncc2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000536858928 1100374830 /nfs/dbraw/zinc/37/48/30/1100374830.db2.gz TUFMXUJZNCYGMP-QGZVFWFLSA-N 1 0 368.462 4.397 20 5 FIBDRO Cc1noc(CCC[NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000536865744 1100382577 /nfs/dbraw/zinc/38/25/77/1100382577.db2.gz XOSMAIRBQHARIS-GFCCVEGCSA-N 1 0 372.450 4.298 20 5 FIBDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000536876605 1100397762 /nfs/dbraw/zinc/39/77/62/1100397762.db2.gz OPKFWAGONYKQOV-QWHCGFSZSA-N 1 0 371.462 4.495 20 5 FIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425952045 1100443702 /nfs/dbraw/zinc/44/37/02/1100443702.db2.gz GAPBSIGQCZODSK-ZDUSSCGKSA-N 1 0 371.412 4.118 20 5 FIBDRO C[N@H+](CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCCC1 ZINC000517550031 1100492511 /nfs/dbraw/zinc/49/25/11/1100492511.db2.gz NDUBGXOKUNBMGY-UHFFFAOYSA-N 1 0 357.454 4.209 20 5 FIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3c(Cl)oc4ccccc43)CC2)n1 ZINC000425975214 1100575799 /nfs/dbraw/zinc/57/57/99/1100575799.db2.gz BMZWCHSNGSLQOD-UHFFFAOYSA-N 1 0 360.801 4.028 20 5 FIBDRO COc1ccc(C[NH2+]CCOc2cccc(C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000506284602 1100763650 /nfs/dbraw/zinc/76/36/50/1100763650.db2.gz LDNBNNFQVQTHNC-UHFFFAOYSA-N 1 0 358.438 4.070 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCOC2)ccc1Oc1ccccc1Cl ZINC000509564906 1100964816 /nfs/dbraw/zinc/96/48/16/1100964816.db2.gz XKTFVPOYJKSJJT-CQSZACIVSA-N 1 0 362.813 4.167 20 5 FIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCC[C@@H](C)C1 ZINC000518264560 1101049549 /nfs/dbraw/zinc/04/95/49/1101049549.db2.gz GRKWSQDBESDYOK-CVEARBPZSA-N 1 0 357.454 4.065 20 5 FIBDRO CC(C)c1nnc(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000426293931 1101214505 /nfs/dbraw/zinc/21/45/05/1101214505.db2.gz SCHZZDUQIHSPJU-GDBMZVCRSA-N 1 0 374.510 4.113 20 5 FIBDRO C[C@H]1C[C@@H](c2ccccc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000439316097 1101328307 /nfs/dbraw/zinc/32/83/07/1101328307.db2.gz JDLMFIYTPAWNAH-HOCLYGCPSA-N 1 0 350.422 4.239 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000537074410 1101439196 /nfs/dbraw/zinc/43/91/96/1101439196.db2.gz GLSORCANCHWPCI-INIZCTEOSA-N 1 0 372.318 4.396 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000537175602 1101518613 /nfs/dbraw/zinc/51/86/13/1101518613.db2.gz RLFORZRMVIHHGH-KKSFZXQISA-N 1 0 369.465 4.067 20 5 FIBDRO Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000537175371 1101520451 /nfs/dbraw/zinc/52/04/51/1101520451.db2.gz GWSCSRYFSFHXLJ-DLBZAZTESA-N 1 0 369.465 4.048 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000537179227 1101521554 /nfs/dbraw/zinc/52/15/54/1101521554.db2.gz YOBKWIDUTNVIAD-SJLPKXTDSA-N 1 0 372.465 4.117 20 5 FIBDRO CC[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000518782348 1101582255 /nfs/dbraw/zinc/58/22/55/1101582255.db2.gz UVDXMPMOYDXSQL-CYBMUJFWSA-N 1 0 350.365 4.480 20 5 FIBDRO CC(C)C[N@H+](CCc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000519056311 1101878483 /nfs/dbraw/zinc/87/84/83/1101878483.db2.gz SCAXKCYHSJHMHF-UHFFFAOYSA-N 1 0 370.449 4.162 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000152552937 1101905922 /nfs/dbraw/zinc/90/59/22/1101905922.db2.gz RQCMKNUZEFWPMP-QAPCUYQASA-N 1 0 373.453 4.074 20 5 FIBDRO Cc1ccc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000237747001 1102135531 /nfs/dbraw/zinc/13/55/31/1102135531.db2.gz NQMPABFBEZGURA-UHFFFAOYSA-N 1 0 356.422 4.148 20 5 FIBDRO Cc1sc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000152410395 1102311663 /nfs/dbraw/zinc/31/16/63/1102311663.db2.gz WLHZJZXBZPUAJI-UHFFFAOYSA-N 1 0 353.447 4.359 20 5 FIBDRO COc1ccc([C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000532460829 1102367415 /nfs/dbraw/zinc/36/74/15/1102367415.db2.gz KNTXMLHGMVVCNW-IIBYNOLFSA-N 1 0 369.465 4.091 20 5 FIBDRO Cc1ccccc1C[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000532486469 1102426969 /nfs/dbraw/zinc/42/69/69/1102426969.db2.gz YCZLBLXSFVWTKK-UHFFFAOYSA-N 1 0 367.449 4.205 20 5 FIBDRO CCC[N@H+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000532513484 1102447940 /nfs/dbraw/zinc/44/79/40/1102447940.db2.gz KNWPOMXPWARCMS-QGZVFWFLSA-N 1 0 361.829 4.270 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000026266656 1102548046 /nfs/dbraw/zinc/54/80/46/1102548046.db2.gz ZMJQBRLNILZZQG-HXUWFJFHSA-N 1 0 355.438 4.219 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1Cn1cccn1)CCC2 ZINC000192625948 1102737171 /nfs/dbraw/zinc/73/71/71/1102737171.db2.gz ZGYZZTGOUZEMHY-NRFANRHFSA-N 1 0 362.433 4.007 20 5 FIBDRO C[C@H]1CC([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000536609209 1102879562 /nfs/dbraw/zinc/87/95/62/1102879562.db2.gz ZBLIQSHTRODUPK-HOTGVXAUSA-N 1 0 369.465 4.408 20 5 FIBDRO Cc1ccccc1C(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000550263351 1102894661 /nfs/dbraw/zinc/89/46/61/1102894661.db2.gz ZMMFJCHKAORIJF-UHFFFAOYSA-N 1 0 355.438 4.065 20 5 FIBDRO C[C@H]([NH2+]C1(Cc2cccc(F)c2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000550274608 1102912713 /nfs/dbraw/zinc/91/27/13/1102912713.db2.gz LVXOMKOJITXBCU-HNNXBMFYSA-N 1 0 358.413 4.176 20 5 FIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1-c1ccnn1C ZINC000507251244 1103242015 /nfs/dbraw/zinc/24/20/15/1103242015.db2.gz GKABUHNNHFOVPJ-UHFFFAOYSA-N 1 0 364.449 4.406 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000507283398 1103276410 /nfs/dbraw/zinc/27/64/10/1103276410.db2.gz YCSAHLQLKWHDKU-CQSZACIVSA-N 1 0 371.412 4.146 20 5 FIBDRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000538205433 1104019898 /nfs/dbraw/zinc/01/98/98/1104019898.db2.gz GSUFZSDJTNUWQQ-HOTGVXAUSA-N 1 0 355.438 4.198 20 5 FIBDRO CCC[C@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000129445196 1104067564 /nfs/dbraw/zinc/06/75/64/1104067564.db2.gz XYQLYZZBROYHEW-NRFANRHFSA-N 1 0 364.449 4.471 20 5 FIBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2ccccc2C)c([N+](=O)[O-])c1 ZINC000441231188 1104217999 /nfs/dbraw/zinc/21/79/99/1104217999.db2.gz KHLQAPYEFOXXRM-SFHVURJKSA-N 1 0 356.422 4.128 20 5 FIBDRO COc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000441338164 1104281743 /nfs/dbraw/zinc/28/17/43/1104281743.db2.gz SHXVDYDTCUTSQQ-KDOFPFPSSA-N 1 0 374.412 4.204 20 5 FIBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccc(C)s2)c([N+](=O)[O-])c1 ZINC000441394357 1104328499 /nfs/dbraw/zinc/32/84/99/1104328499.db2.gz ONBHCXCBWKVFRT-OAHLLOKOSA-N 1 0 362.451 4.189 20 5 FIBDRO Cc1ccc(C)c([C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@@H](C)CO2)c1 ZINC000441448597 1104740509 /nfs/dbraw/zinc/74/05/09/1104740509.db2.gz LEQZFFCOXSUFMX-LAUBAEHRSA-N 1 0 354.450 4.216 20 5 FIBDRO CC[NH+](CC)Cc1cccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000087086286 1104782699 /nfs/dbraw/zinc/78/26/99/1104782699.db2.gz IUFBSFCVJOSJAW-UHFFFAOYSA-N 1 0 355.438 4.008 20 5 FIBDRO Cc1cc([C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2cccnc2)ccc1F ZINC000544381369 1106768955 /nfs/dbraw/zinc/76/89/55/1106768955.db2.gz NKNOEXVFJOGGSS-OAQYLSRUSA-N 1 0 365.408 4.359 20 5 FIBDRO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451102303 1106932688 /nfs/dbraw/zinc/93/26/88/1106932688.db2.gz CLEGPMBBIMJCNY-LSDHHAIUSA-N 1 0 369.465 4.397 20 5 FIBDRO Cc1c([C@@H](C)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cccc1[N+](=O)[O-] ZINC000530366040 1106986388 /nfs/dbraw/zinc/98/63/88/1106986388.db2.gz WECQDPXKCUFYLJ-IJEWVQPXSA-N 1 0 370.453 4.085 20 5 FIBDRO C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000248753954 1107376669 /nfs/dbraw/zinc/37/66/69/1107376669.db2.gz CJPTVENTAJLCDW-LRGNLBRXSA-N 1 0 365.477 4.441 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000530965260 1107426957 /nfs/dbraw/zinc/42/69/57/1107426957.db2.gz KMAPEOGGHPZZEO-CZUORRHYSA-N 1 0 373.840 4.013 20 5 FIBDRO COC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 ZINC000121362247 1107516477 /nfs/dbraw/zinc/51/64/77/1107516477.db2.gz XBZNVZBIABVTJC-MRXNPFEDSA-N 1 0 350.802 4.023 20 5 FIBDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000475508715 1107608358 /nfs/dbraw/zinc/60/83/58/1107608358.db2.gz DYXILGRASWDXAL-UHFFFAOYSA-N 1 0 364.449 4.398 20 5 FIBDRO COc1cc(C[NH2+]C2CC(C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000531207040 1107647900 /nfs/dbraw/zinc/64/79/00/1107647900.db2.gz VINPDLHWIKDDCY-UHFFFAOYSA-N 1 0 356.422 4.071 20 5 FIBDRO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531205221 1107648722 /nfs/dbraw/zinc/64/87/22/1107648722.db2.gz VZTFRSXHVXGBFN-YESZJQIVSA-N 1 0 369.465 4.128 20 5 FIBDRO COc1cc(C[NH2+]CC2(C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531206851 1107648808 /nfs/dbraw/zinc/64/88/08/1107648808.db2.gz FDWDWMSAXWUKSL-UHFFFAOYSA-N 1 0 356.422 4.072 20 5 FIBDRO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531205219 1107648823 /nfs/dbraw/zinc/64/88/23/1107648823.db2.gz VZTFRSXHVXGBFN-IXDOHACOSA-N 1 0 369.465 4.128 20 5 FIBDRO CCc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000531443418 1107903652 /nfs/dbraw/zinc/90/36/52/1107903652.db2.gz XEIQSTGMJXUURD-GJZGRUSLSA-N 1 0 355.438 4.143 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000520213304 1108051935 /nfs/dbraw/zinc/05/19/35/1108051935.db2.gz UGMSWINQCLBLLV-KXBFYZLASA-N 1 0 370.449 4.461 20 5 FIBDRO CC(C)(C)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(F)c1 ZINC000444685152 1108062845 /nfs/dbraw/zinc/06/28/45/1108062845.db2.gz QGYWSQDHTRWZLF-GOSISDBHSA-N 1 0 356.401 4.487 20 5 FIBDRO NC(=O)c1ccc(CN2CCCC[C@@H]2c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000444808153 1108182942 /nfs/dbraw/zinc/18/29/42/1108182942.db2.gz ZJRGJEKQMVGMQK-QGZVFWFLSA-N 1 0 373.840 4.074 20 5 FIBDRO COc1cc(C[N@H+](CC2CCC2)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000444784600 1108185933 /nfs/dbraw/zinc/18/59/33/1108185933.db2.gz OSKIWTMXEDRVPW-UHFFFAOYSA-N 1 0 358.385 4.215 20 5 FIBDRO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)O[C@H](C)C2 ZINC000531943852 1108385428 /nfs/dbraw/zinc/38/54/28/1108385428.db2.gz ULULGOBEMTVXGK-CABCVRRESA-N 1 0 370.449 4.476 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1cccc2cccnc21)C1CC1 ZINC000531942963 1108386730 /nfs/dbraw/zinc/38/67/30/1108386730.db2.gz TYSOTQJSNACXLZ-HXUWFJFHSA-N 1 0 361.445 4.296 20 5 FIBDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453371981 1108490621 /nfs/dbraw/zinc/49/06/21/1108490621.db2.gz YRALSBQPNPBPHV-KGLIPLIRSA-N 1 0 370.478 4.339 20 5 FIBDRO CC(C)(O)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 ZINC000428401526 1108690749 /nfs/dbraw/zinc/69/07/49/1108690749.db2.gz PKLGSCHYHFXDGU-UHFFFAOYSA-N 1 0 364.829 4.244 20 5 FIBDRO CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000532215644 1108717884 /nfs/dbraw/zinc/71/78/84/1108717884.db2.gz IPOKVRLXXAYJOG-INIZCTEOSA-N 1 0 369.465 4.268 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000532246713 1108726208 /nfs/dbraw/zinc/72/62/08/1108726208.db2.gz OGADFIGTSVAOSY-KBPBESRZSA-N 1 0 361.392 4.111 20 5 FIBDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000532351471 1108774416 /nfs/dbraw/zinc/77/44/16/1108774416.db2.gz IHTQFVNAESQLRJ-IBGZPJMESA-N 1 0 370.449 4.305 20 5 FIBDRO CC[N@H+](Cc1ccc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)cc1)C1CC1 ZINC000445485621 1108805222 /nfs/dbraw/zinc/80/52/22/1108805222.db2.gz BDTKYGFYRYYCFC-UHFFFAOYSA-N 1 0 370.434 4.358 20 5 FIBDRO C[NH+](C)[C@@H](CNc1ccc(Br)cc1[N+](=O)[O-])c1ccsc1 ZINC000524161379 1108873974 /nfs/dbraw/zinc/87/39/74/1108873974.db2.gz WGENOKLSISELHG-AWEZNQCLSA-N 1 0 370.272 4.134 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000248810708 1109038023 /nfs/dbraw/zinc/03/80/23/1109038023.db2.gz CLHDLNQHTSDIJV-DZKIICNBSA-N 1 0 372.469 4.337 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000445991850 1109072170 /nfs/dbraw/zinc/07/21/70/1109072170.db2.gz NDUYHPFCHBDVBW-UYAOXDASSA-N 1 0 367.449 4.158 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000445991845 1109072465 /nfs/dbraw/zinc/07/24/65/1109072465.db2.gz NDUYHPFCHBDVBW-AZUAARDMSA-N 1 0 367.449 4.158 20 5 FIBDRO Cc1ccc(C(C)(C)C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000524754888 1109144084 /nfs/dbraw/zinc/14/40/84/1109144084.db2.gz PMBHQEGEJJUIDC-UHFFFAOYSA-N 1 0 370.449 4.179 20 5 FIBDRO Cc1c([C@H](C)[NH2+]CCc2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-] ZINC000152215029 1109248637 /nfs/dbraw/zinc/24/86/37/1109248637.db2.gz MGKMZPCRWBZYNV-JTQLQIEISA-N 1 0 359.373 4.272 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CC=C(c4ccc(F)cc4)CC3)nc2c1 ZINC000446826261 1109351570 /nfs/dbraw/zinc/35/15/70/1109351570.db2.gz IBQTXKOOXCAIEO-INIZCTEOSA-N 1 0 366.396 4.336 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@@H](C)[C@@H](C)CO)cc2[N+](=O)[O-])cc1 ZINC000525406072 1109374250 /nfs/dbraw/zinc/37/42/50/1109374250.db2.gz SMPZNCZRSORXEV-GJZGRUSLSA-N 1 0 360.479 4.161 20 5 FIBDRO CC(C)C[C@H]1CCCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000525407908 1109375454 /nfs/dbraw/zinc/37/54/54/1109375454.db2.gz KAYILKRKBYMASY-QGZVFWFLSA-N 1 0 358.442 4.436 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCc2ccc3[nH]ccc3c2)c1 ZINC000441229665 1109483851 /nfs/dbraw/zinc/48/38/51/1109483851.db2.gz JDVVXXFEPSOPEF-UHFFFAOYSA-N 1 0 361.348 4.010 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCSc2ccccc2)n1 ZINC000447518754 1109559482 /nfs/dbraw/zinc/55/94/82/1109559482.db2.gz WTUYTHWROKGSIJ-IRXDYDNUSA-N 1 0 360.483 4.047 20 5 FIBDRO Cc1[nH]c2ccc(C[NH2+][C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc2c1C ZINC000447530509 1109564453 /nfs/dbraw/zinc/56/44/53/1109564453.db2.gz OFXLJLSJSSUOIB-RTBURBONSA-N 1 0 367.453 4.163 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](OCC)c2ccccc2)cc1[N+](=O)[O-] ZINC000447570105 1109577604 /nfs/dbraw/zinc/57/76/04/1109577604.db2.gz FMDJNKWYRYNMQJ-QRWLVFNGSA-N 1 0 358.438 4.422 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000526061805 1109613634 /nfs/dbraw/zinc/61/36/34/1109613634.db2.gz VAHHCICZIBFZMZ-JIIJFUIFSA-N 1 0 372.387 4.023 20 5 FIBDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449085892 1109970994 /nfs/dbraw/zinc/97/09/94/1109970994.db2.gz PLXQQQBSASPSNG-JKSUJKDBSA-N 1 0 369.465 4.300 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000449072981 1109972817 /nfs/dbraw/zinc/97/28/17/1109972817.db2.gz REQKWOJBRDOTFN-HNNXBMFYSA-N 1 0 367.449 4.054 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000449100082 1109976000 /nfs/dbraw/zinc/97/60/00/1109976000.db2.gz VVLPQLIWSLJVIB-HZPDHXFCSA-N 1 0 367.449 4.003 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000449171172 1109988114 /nfs/dbraw/zinc/98/81/14/1109988114.db2.gz KIVOSNAKVAZYGD-UEXGIBASSA-N 1 0 367.493 4.026 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCCCO3)cc1[N+](=O)[O-] ZINC000449176390 1109988999 /nfs/dbraw/zinc/98/89/99/1109988999.db2.gz SNZKHGILOLDPFM-HNNXBMFYSA-N 1 0 356.422 4.305 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1cccc(-n2ccnc2)c1 ZINC000449165554 1109990461 /nfs/dbraw/zinc/99/04/61/1109990461.db2.gz ABOFECVEBYVKKD-JKSUJKDBSA-N 1 0 350.422 4.062 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000449195142 1109992309 /nfs/dbraw/zinc/99/23/09/1109992309.db2.gz YQIAMFRNBWVMIR-HZPDHXFCSA-N 1 0 350.422 4.062 20 5 FIBDRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000237496393 1109996816 /nfs/dbraw/zinc/99/68/16/1109996816.db2.gz FLEJYGQALDXDJD-CYBMUJFWSA-N 1 0 350.365 4.307 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000449304267 1110022068 /nfs/dbraw/zinc/02/20/68/1110022068.db2.gz ZDHIQUFMTOMBML-VXGBXAGGSA-N 1 0 364.243 4.034 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nccn1-c1ccccc1 ZINC000449334347 1110039546 /nfs/dbraw/zinc/03/95/46/1110039546.db2.gz XALLESCAYXGMJI-HOTGVXAUSA-N 1 0 350.422 4.062 20 5 FIBDRO CC(C)(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccn1 ZINC000449393108 1110050389 /nfs/dbraw/zinc/05/03/89/1110050389.db2.gz AXAYGCWWOVEKHT-UHFFFAOYSA-N 1 0 368.462 4.181 20 5 FIBDRO C[C@H](CCCCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000449425109 1110064401 /nfs/dbraw/zinc/06/44/01/1110064401.db2.gz GWESWQWGLFYAMQ-GFCCVEGCSA-N 1 0 352.818 4.149 20 5 FIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cnc([C@H]4CCCO4)s3)C2)cc1 ZINC000449495734 1110092915 /nfs/dbraw/zinc/09/29/15/1110092915.db2.gz DWPQQYQWCAGIOY-CRAIPNDOSA-N 1 0 373.478 4.282 20 5 FIBDRO C[C@H](c1ccsc1)[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450446782 1110296356 /nfs/dbraw/zinc/29/63/56/1110296356.db2.gz QEWLEDCNWRMHSX-CQSZACIVSA-N 1 0 368.462 4.088 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](C4CCOCC4)C3)o2)cc1 ZINC000538752959 1111283151 /nfs/dbraw/zinc/28/31/51/1111283151.db2.gz YUSCTGQFMQHHKC-KRWDZBQOSA-N 1 0 356.422 4.103 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000539052819 1111400965 /nfs/dbraw/zinc/40/09/65/1111400965.db2.gz OERQQVYJPZIDHN-LRDDRELGSA-N 1 0 368.355 4.306 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000539055884 1111403016 /nfs/dbraw/zinc/40/30/16/1111403016.db2.gz MSUJWXJGRFUFCU-RRMPHLOHSA-N 1 0 369.465 4.090 20 5 FIBDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000539079526 1111423365 /nfs/dbraw/zinc/42/33/65/1111423365.db2.gz HXJNNBIKUGMHSZ-SJORKVTESA-N 1 0 373.840 4.094 20 5 FIBDRO Cc1cc(N2CC[C@H](C[N@H+](C)CC3CC3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461965188 1111443465 /nfs/dbraw/zinc/44/34/65/1111443465.db2.gz LYBNAJYEOGQDIA-CQSZACIVSA-N 1 0 371.403 4.090 20 5 FIBDRO CCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000539253072 1111487033 /nfs/dbraw/zinc/48/70/33/1111487033.db2.gz BMQLDWJAUULMCB-HNNXBMFYSA-N 1 0 357.241 4.229 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000539376236 1111535534 /nfs/dbraw/zinc/53/55/34/1111535534.db2.gz CBKYGYDXQHXCEP-OAHLLOKOSA-N 1 0 363.417 4.346 20 5 FIBDRO CC1CCC(C)(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000552056380 1111559978 /nfs/dbraw/zinc/55/99/78/1111559978.db2.gz ASKIWBSQOLGTNP-VDUSKEEQSA-N 1 0 356.470 4.224 20 5 FIBDRO Cc1cccc([C@@H](C)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000552244819 1111635688 /nfs/dbraw/zinc/63/56/88/1111635688.db2.gz MVSCBVDLNCIGDZ-OXJNMPFZSA-N 1 0 364.449 4.119 20 5 FIBDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000552246025 1111636270 /nfs/dbraw/zinc/63/62/70/1111636270.db2.gz FYDAOSAUPUHODN-KBAYOESNSA-N 1 0 374.510 4.072 20 5 FIBDRO CCC[C@@H]([NH2+][C@@H]1CCc2cnn(C(C)C)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000478161047 1111699287 /nfs/dbraw/zinc/69/92/87/1111699287.db2.gz AUDRCGVBQCKEGU-IEBWSBKVSA-N 1 0 356.470 4.361 20 5 FIBDRO C[C@@H](c1cccs1)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000478426343 1111778976 /nfs/dbraw/zinc/77/89/76/1111778976.db2.gz JQLOXPMYAXWKAA-HNNXBMFYSA-N 1 0 356.451 4.116 20 5 FIBDRO CCC[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000552904202 1111850248 /nfs/dbraw/zinc/85/02/48/1111850248.db2.gz BPQSJXRTWHBHHF-FQEVSTJZSA-N 1 0 367.449 4.118 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000553002773 1111878585 /nfs/dbraw/zinc/87/85/85/1111878585.db2.gz ITTHVIIWIDCUQC-UHFFFAOYSA-N 1 0 373.840 4.164 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000479523321 1112052733 /nfs/dbraw/zinc/05/27/33/1112052733.db2.gz DQSIDPBRTOLZIZ-XGXHKWSGSA-N 1 0 372.444 4.340 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H](NC2CC([NH+]3CCCCC3)C2)c2ccccc2)c1 ZINC000479521272 1112059321 /nfs/dbraw/zinc/05/93/21/1112059321.db2.gz BYVLJJVCIXTDRM-VTLFHKLASA-N 1 0 365.477 4.291 20 5 FIBDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC000479593125 1112087115 /nfs/dbraw/zinc/08/71/15/1112087115.db2.gz KKWUCGABLKGBJZ-UHFFFAOYSA-N 1 0 350.422 4.050 20 5 FIBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000479958824 1112210171 /nfs/dbraw/zinc/21/01/71/1112210171.db2.gz PJDAZXSXXFQVAS-UHFFFAOYSA-N 1 0 371.485 4.108 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)c1cccc(OC(C)C)c1 ZINC000128363533 1112253944 /nfs/dbraw/zinc/25/39/44/1112253944.db2.gz RBLAEXQRBQSLPJ-MGPUTAFESA-N 1 0 358.438 4.075 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](c2ccco2)N2CCCCC2)cc1[N+](=O)[O-] ZINC000480088179 1112272889 /nfs/dbraw/zinc/27/28/89/1112272889.db2.gz CXIBUKDKOYMEFW-VQIMIIECSA-N 1 0 357.454 4.374 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000480227672 1112339661 /nfs/dbraw/zinc/33/96/61/1112339661.db2.gz IXGRWFDKYXKKTE-QGZVFWFLSA-N 1 0 353.466 4.002 20 5 FIBDRO CCOc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1OC(F)F ZINC000480479633 1112440558 /nfs/dbraw/zinc/44/05/58/1112440558.db2.gz UNVUGWRSQLQZIL-UHFFFAOYSA-N 1 0 366.364 4.193 20 5 FIBDRO COc1ccccc1O[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000554873668 1112539711 /nfs/dbraw/zinc/53/97/11/1112539711.db2.gz PDEDTLRHGODNGH-KKMIYCERSA-N 1 0 368.433 4.160 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCO[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000480714030 1112566196 /nfs/dbraw/zinc/56/61/96/1112566196.db2.gz ZZBKMLQQPRCXHK-GMBSWORKSA-N 1 0 350.459 4.238 20 5 FIBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000555606940 1112944476 /nfs/dbraw/zinc/94/44/76/1112944476.db2.gz RKPWNTHLTBXNDH-IJVDHGTGSA-N 1 0 366.396 4.284 20 5 FIBDRO CCOc1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)ccc1OC ZINC000192865304 1113019856 /nfs/dbraw/zinc/01/98/56/1113019856.db2.gz RMWVMTOVJWCQCY-GOSISDBHSA-N 1 0 356.422 4.169 20 5 FIBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1F ZINC000593065632 1113257774 /nfs/dbraw/zinc/25/77/74/1113257774.db2.gz ZYUMAPAXVZGCPJ-CJNGLKHVSA-N 1 0 359.401 4.110 20 5 FIBDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000160152713 1113305643 /nfs/dbraw/zinc/30/56/43/1113305643.db2.gz QHHBALQSKQMARS-OLZOCXBDSA-N 1 0 366.508 4.088 20 5 FIBDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000482697811 1113334823 /nfs/dbraw/zinc/33/48/23/1113334823.db2.gz WJYGMSIRVVESSF-CABCVRRESA-N 1 0 350.422 4.158 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000160495101 1113395423 /nfs/dbraw/zinc/39/54/23/1113395423.db2.gz YDBIIWFIGRIXQR-HXUWFJFHSA-N 1 0 368.481 4.467 20 5 FIBDRO CCC[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)NC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000483151242 1113454891 /nfs/dbraw/zinc/45/48/91/1113454891.db2.gz ZVKAZWLNKXJTNG-AOIWGVFYSA-N 1 0 361.486 4.109 20 5 FIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)CC3 ZINC000486491836 1113583562 /nfs/dbraw/zinc/58/35/62/1113583562.db2.gz SSMDDNCKECYKOF-AWEZNQCLSA-N 1 0 353.397 4.171 20 5 FIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](c2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC000027449316 1113646399 /nfs/dbraw/zinc/64/63/99/1113646399.db2.gz UJCKGFFSBLREJG-BEFAXECRSA-N 1 0 355.438 4.217 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000488044516 1113846261 /nfs/dbraw/zinc/84/62/61/1113846261.db2.gz PWQVIAGKIKJFPO-JKSUJKDBSA-N 1 0 353.422 4.007 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCc2ccc(F)cc21 ZINC000911595582 1114001389 /nfs/dbraw/zinc/00/13/89/1114001389.db2.gz INDKFXCHXAXHQY-GFCCVEGCSA-N 1 0 355.369 4.037 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490029415 1114204650 /nfs/dbraw/zinc/20/46/50/1114204650.db2.gz JWNJZOWXUYFNEI-UYAOXDASSA-N 1 0 367.493 4.418 20 5 FIBDRO C[C@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000490125524 1114221284 /nfs/dbraw/zinc/22/12/84/1114221284.db2.gz QHAMPVRMUPNVGJ-DYESRHJHSA-N 1 0 353.466 4.006 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c(F)c1 ZINC000490400976 1114287851 /nfs/dbraw/zinc/28/78/51/1114287851.db2.gz NMMRPCKGGXBPRF-CYBMUJFWSA-N 1 0 373.359 4.394 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(Br)c(F)c1 ZINC000570985648 1114426286 /nfs/dbraw/zinc/42/62/86/1114426286.db2.gz MBTMJFYCTYBQQC-HNNXBMFYSA-N 1 0 365.202 4.274 20 5 FIBDRO CC(=O)c1cc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000587528790 1114446926 /nfs/dbraw/zinc/44/69/26/1114446926.db2.gz TWGMJWOZJXSHAS-SFHVURJKSA-N 1 0 367.449 4.122 20 5 FIBDRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000056170598 1114639810 /nfs/dbraw/zinc/63/98/10/1114639810.db2.gz YDHBTFZHDKKGLO-HUUCEWRRSA-N 1 0 371.437 4.060 20 5 FIBDRO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000056196489 1114658377 /nfs/dbraw/zinc/65/83/77/1114658377.db2.gz HGBCLLSSYJVBIM-HRCADAONSA-N 1 0 369.465 4.074 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1Cl ZINC000056197417 1114658419 /nfs/dbraw/zinc/65/84/19/1114658419.db2.gz GQFYMTPSCQKMET-GHMZBOCLSA-N 1 0 365.792 4.065 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000590170153 1114907307 /nfs/dbraw/zinc/90/73/07/1114907307.db2.gz AZPZYVKIFGTACT-KGLIPLIRSA-N 1 0 372.387 4.252 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C/C=C/c1ccccc1)[C@H]1CC[C@H](O)CC1 ZINC000592131239 1115205325 /nfs/dbraw/zinc/20/53/25/1115205325.db2.gz UQZNFNLLMHDAEZ-ZJQVQRCTSA-N 1 0 366.461 4.414 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000592144741 1115208375 /nfs/dbraw/zinc/20/83/75/1115208375.db2.gz LXIIZWRBDJOVNL-UHFFFAOYSA-N 1 0 371.412 4.040 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000573981325 1115227370 /nfs/dbraw/zinc/22/73/70/1115227370.db2.gz NJRSOKWHOIOLHZ-WMZOPIPTSA-N 1 0 357.479 4.070 20 5 FIBDRO CC(C)CCSc1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC000592357099 1115281204 /nfs/dbraw/zinc/28/12/04/1115281204.db2.gz PLJJSFFNZAYTMI-CYBMUJFWSA-N 1 0 362.455 4.208 20 5 FIBDRO CC[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592427611 1115307135 /nfs/dbraw/zinc/30/71/35/1115307135.db2.gz HVEJJVFYHOOXHX-CRAIPNDOSA-N 1 0 373.428 4.085 20 5 FIBDRO Cc1ccc(-c2nn(C)cc2C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000592498049 1115326960 /nfs/dbraw/zinc/32/69/60/1115326960.db2.gz WHLPPMHEUFWHGS-UHFFFAOYSA-N 1 0 366.421 4.061 20 5 FIBDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000158002470 1115429529 /nfs/dbraw/zinc/42/95/29/1115429529.db2.gz DGWMWCBRUPMSSQ-KGLIPLIRSA-N 1 0 361.392 4.050 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(Br)s1 ZINC000594505305 1115452348 /nfs/dbraw/zinc/45/23/48/1115452348.db2.gz PPYBQBFKGFWMSP-LBPRGKRZSA-N 1 0 353.241 4.196 20 5 FIBDRO C[C@@]1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1 ZINC000574828181 1115491211 /nfs/dbraw/zinc/49/12/11/1115491211.db2.gz LOKNYTMAYVEFBP-XFKSJGNHSA-N 1 0 354.454 4.058 20 5 FIBDRO C[C@@]1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1 ZINC000574828180 1115491440 /nfs/dbraw/zinc/49/14/40/1115491440.db2.gz LOKNYTMAYVEFBP-JPLJXNOCSA-N 1 0 354.454 4.058 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000595014631 1115503891 /nfs/dbraw/zinc/50/38/91/1115503891.db2.gz MWSDKDTYMHHGDZ-LLVKDONJSA-N 1 0 365.227 4.217 20 5 FIBDRO CCCOCc1ccccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595015837 1115503993 /nfs/dbraw/zinc/50/39/93/1115503993.db2.gz HRBDTFQTQKBKQG-HNNXBMFYSA-N 1 0 358.438 4.381 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000595015893 1115504182 /nfs/dbraw/zinc/50/41/82/1115504182.db2.gz VKFJVSGFZPDYEL-NBQZKYEYSA-N 1 0 356.422 4.032 20 5 FIBDRO O=[N+]([O-])c1cc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cs1 ZINC000595001186 1115507003 /nfs/dbraw/zinc/50/70/03/1115507003.db2.gz RNXNSNLBOAMBQD-SFHVURJKSA-N 1 0 371.506 4.048 20 5 FIBDRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1OC ZINC000595005626 1115507260 /nfs/dbraw/zinc/50/72/60/1115507260.db2.gz BTVFNDWTLCJALT-KBPBESRZSA-N 1 0 374.437 4.341 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000595009387 1115507978 /nfs/dbraw/zinc/50/79/78/1115507978.db2.gz RUCNXTKBXZGAPP-DEYYWGMASA-N 1 0 350.459 4.095 20 5 FIBDRO COC[C@H](CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)OC ZINC000595062234 1115508890 /nfs/dbraw/zinc/50/88/90/1115508890.db2.gz ULRNUDZWCIDUKN-KBPBESRZSA-N 1 0 364.467 4.025 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCC2CC(OC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595051469 1115512221 /nfs/dbraw/zinc/51/22/21/1115512221.db2.gz VCGAQWKSMQPGDF-FPMRRHDISA-N 1 0 358.438 4.244 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000595053536 1115512572 /nfs/dbraw/zinc/51/25/72/1115512572.db2.gz VYIJHJPLOBHLMS-OGHNNQOOSA-N 1 0 362.451 4.236 20 5 FIBDRO Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595097831 1115516104 /nfs/dbraw/zinc/51/61/04/1115516104.db2.gz KTHBYFHKYAZZIN-QFBILLFUSA-N 1 0 368.481 4.097 20 5 FIBDRO Cc1noc(CN(Cc2cccc(Br)c2)C(C)C)c1[N+](=O)[O-] ZINC000595294304 1115521453 /nfs/dbraw/zinc/52/14/53/1115521453.db2.gz LDFCMIOZILPNNA-UHFFFAOYSA-N 1 0 368.231 4.064 20 5 FIBDRO CCOc1cc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000046776949 1115528261 /nfs/dbraw/zinc/52/82/61/1115528261.db2.gz JPOWZZUGSUNKIU-UHFFFAOYSA-N 1 0 366.364 4.227 20 5 FIBDRO Cc1noc(CN2CC=C(c3ccc(Cl)c(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000595429800 1115535276 /nfs/dbraw/zinc/53/52/76/1115535276.db2.gz KCMPUEJSOZJZKP-UHFFFAOYSA-N 1 0 368.220 4.487 20 5 FIBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000595431743 1115535986 /nfs/dbraw/zinc/53/59/86/1115535986.db2.gz GYZRKJKGQZNMHA-HKUYNNGSSA-N 1 0 362.376 4.225 20 5 FIBDRO Cc1noc(C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000595489465 1115537029 /nfs/dbraw/zinc/53/70/29/1115537029.db2.gz AWJOIAZYGQOVIC-UONOGXRCSA-N 1 0 369.343 4.336 20 5 FIBDRO Cc1noc(C[NH2+]C(C)(C)Cc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000595459352 1115537428 /nfs/dbraw/zinc/53/74/28/1115537428.db2.gz NOGCDNSDWIGCJH-UHFFFAOYSA-N 1 0 357.332 4.021 20 5 FIBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](c2ccccc2C)C(C)C)c1 ZINC000593018847 1115537607 /nfs/dbraw/zinc/53/76/07/1115537607.db2.gz GNFASAWQIKJDHN-LJQANCHMSA-N 1 0 356.422 4.177 20 5 FIBDRO CC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000593020577 1115538348 /nfs/dbraw/zinc/53/83/48/1115538348.db2.gz POKMPBIKGNFWAU-MRXNPFEDSA-N 1 0 362.813 4.276 20 5 FIBDRO CCOc1cc(C[NH2+]C2(c3cccc(OC)c3)CCC2)ccc1[N+](=O)[O-] ZINC000595846697 1115564456 /nfs/dbraw/zinc/56/44/56/1115564456.db2.gz CAOMGDZWUUJEDV-UHFFFAOYSA-N 1 0 356.422 4.171 20 5 FIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)CC1=CCCOC1 ZINC000597205003 1115649733 /nfs/dbraw/zinc/64/97/33/1115649733.db2.gz BWEDRJVLPQOCHR-UHFFFAOYSA-N 1 0 362.813 4.287 20 5 FIBDRO COc1ccc(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)cc1[N+](=O)[O-] ZINC000060856939 1115720160 /nfs/dbraw/zinc/72/01/60/1115720160.db2.gz RYAIKJSWZJQZHH-UHFFFAOYSA-N 1 0 370.449 4.154 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CC[C@H]2CC2(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000598679022 1115744242 /nfs/dbraw/zinc/74/42/42/1115744242.db2.gz CXKGKIMYJGBSJE-GUYCJALGSA-N 1 0 350.365 4.475 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)c([N+](=O)[O-])cc1OC ZINC000598996508 1115777588 /nfs/dbraw/zinc/77/75/88/1115777588.db2.gz VFQILRBNMPUAIH-OAHLLOKOSA-N 1 0 362.813 4.043 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](OC)c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000599054590 1115786073 /nfs/dbraw/zinc/78/60/73/1115786073.db2.gz CHOMWDXTUUVHHY-JLTOFOAXSA-N 1 0 374.437 4.040 20 5 FIBDRO COc1ccc([C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C2CC2)cn1 ZINC000599095972 1115789180 /nfs/dbraw/zinc/78/91/80/1115789180.db2.gz JPXGRRRNXVAOEN-QUCCMNQESA-N 1 0 353.422 4.117 20 5 FIBDRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000593685011 1115792500 /nfs/dbraw/zinc/79/25/00/1115792500.db2.gz BECHTUNPLVYYHX-RTBURBONSA-N 1 0 368.433 4.255 20 5 FIBDRO CC[N@H+](CCC1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1)CC(C)C ZINC001168414860 1115797592 /nfs/dbraw/zinc/79/75/92/1115797592.db2.gz UTVHRUZRFVBJCJ-UHFFFAOYSA-N 1 0 365.493 4.314 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000603643086 1115800875 /nfs/dbraw/zinc/80/08/75/1115800875.db2.gz CXSAFTIZPWAVAM-UHFFFAOYSA-N 1 0 374.485 4.214 20 5 FIBDRO O=[N+]([O-])c1c(NCCC[N@@H+]2CCc3ccccc3C2)ccc2ncccc21 ZINC000603848811 1115821165 /nfs/dbraw/zinc/82/11/65/1115821165.db2.gz PLFSLAGHXUADBM-UHFFFAOYSA-N 1 0 362.433 4.003 20 5 FIBDRO C[C@@H](c1ccc2ccccc2c1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000604083945 1115847136 /nfs/dbraw/zinc/84/71/36/1115847136.db2.gz OKFUNCRFZGILOK-INIZCTEOSA-N 1 0 362.433 4.026 20 5 FIBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000604419109 1115865082 /nfs/dbraw/zinc/86/50/82/1115865082.db2.gz JKAANQZADVRWNS-QGZVFWFLSA-N 1 0 371.456 4.473 20 5 FIBDRO C[C@H]1Cc2ccccc2N1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000604483216 1115866384 /nfs/dbraw/zinc/86/63/84/1115866384.db2.gz GKKVXLXJUIEDLE-KRWDZBQOSA-N 1 0 365.477 4.053 20 5 FIBDRO CCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](CC)c1ccccc1 ZINC000604492851 1115867710 /nfs/dbraw/zinc/86/77/10/1115867710.db2.gz INPJBEVBFZVJKJ-GOSISDBHSA-N 1 0 355.438 4.057 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCc2ccccc2Cl)c1 ZINC000604532618 1115869345 /nfs/dbraw/zinc/86/93/45/1115869345.db2.gz DNOGJMJUORRSRQ-UHFFFAOYSA-N 1 0 356.756 4.182 20 5 FIBDRO Cc1ccnc([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)c1 ZINC000594007729 1115958699 /nfs/dbraw/zinc/95/86/99/1115958699.db2.gz FGFJVZVTJKHOOH-INIZCTEOSA-N 1 0 355.438 4.075 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000594046565 1115979000 /nfs/dbraw/zinc/97/90/00/1115979000.db2.gz WEEQITPIIAFSTF-CYBMUJFWSA-N 1 0 369.412 4.035 20 5 FIBDRO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000063619605 1116088337 /nfs/dbraw/zinc/08/83/37/1116088337.db2.gz NSUOOCONGFVWTP-FQEVSTJZSA-N 1 0 367.449 4.012 20 5 FIBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000063722406 1116100441 /nfs/dbraw/zinc/10/04/41/1116100441.db2.gz AFFYSXKFTBIFFK-UHFFFAOYSA-N 1 0 361.489 4.334 20 5 FIBDRO Cc1cn2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)ccc2n1 ZINC000608878934 1116133478 /nfs/dbraw/zinc/13/34/78/1116133478.db2.gz MRXAMJUCHRKDLS-UHFFFAOYSA-N 1 0 352.375 4.018 20 5 FIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CCOCC1 ZINC000534345499 1116186950 /nfs/dbraw/zinc/18/69/50/1116186950.db2.gz VJDHYPOGDUWUTR-UHFFFAOYSA-N 1 0 350.802 4.119 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000152693104 1116235551 /nfs/dbraw/zinc/23/55/51/1116235551.db2.gz BWHTZOSDLGYCBI-LBPRGKRZSA-N 1 0 366.364 4.446 20 5 FIBDRO COc1ccc(C[NH2+]C(C)(C)C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535022438 1116261162 /nfs/dbraw/zinc/26/11/62/1116261162.db2.gz NRMVTQISQIVLEH-UHFFFAOYSA-N 1 0 370.449 4.461 20 5 FIBDRO CC[NH2+]Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC)c1 ZINC000457363732 1116270365 /nfs/dbraw/zinc/27/03/65/1116270365.db2.gz ONHZXPMNZWPYIZ-UHFFFAOYSA-N 1 0 359.451 4.069 20 5 FIBDRO CCOCc1ccccc1C[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000152720263 1116282367 /nfs/dbraw/zinc/28/23/67/1116282367.db2.gz OIQGTXULWTUTDN-OAHLLOKOSA-N 1 0 358.438 4.381 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029825537 1116308924 /nfs/dbraw/zinc/30/89/24/1116308924.db2.gz GMZCHTMWTQYOSX-AWEZNQCLSA-N 1 0 367.405 4.124 20 5 FIBDRO CC(C)[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000152768916 1116323846 /nfs/dbraw/zinc/32/38/46/1116323846.db2.gz CLXPOJIVPTXCOE-JLTOFOAXSA-N 1 0 356.422 4.414 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000152789981 1116332813 /nfs/dbraw/zinc/33/28/13/1116332813.db2.gz QGFXJAZHQBHTNT-HZPDHXFCSA-N 1 0 357.429 4.219 20 5 FIBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)[NH+](C)C)cc1 ZINC000462374408 1116343186 /nfs/dbraw/zinc/34/31/86/1116343186.db2.gz GREMIBOSCGXQEO-INIZCTEOSA-N 1 0 365.380 4.219 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000152867699 1116359487 /nfs/dbraw/zinc/35/94/87/1116359487.db2.gz ISBIVSUCBLSAQL-DLBZAZTESA-N 1 0 369.465 4.171 20 5 FIBDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000539681461 1116365456 /nfs/dbraw/zinc/36/54/56/1116365456.db2.gz LRRRKQQWJWMTPL-AFYVEPGGSA-N 1 0 360.498 4.489 20 5 FIBDRO CC(C)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000539899595 1117740942 /nfs/dbraw/zinc/74/09/42/1117740942.db2.gz GXFLGOZHHPMGPQ-PXNSSMCTSA-N 1 0 357.498 4.167 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](C)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000462738232 1117743582 /nfs/dbraw/zinc/74/35/82/1117743582.db2.gz YNJKKKQHDGFTTE-BEFAXECRSA-N 1 0 367.449 4.002 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@H](C)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000462738449 1117743592 /nfs/dbraw/zinc/74/35/92/1117743592.db2.gz YNJKKKQHDGFTTE-KXBFYZLASA-N 1 0 367.449 4.002 20 5 FIBDRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000539928294 1117752738 /nfs/dbraw/zinc/75/27/38/1117752738.db2.gz WSIZUKLVOWMWAX-OJXHRBAXSA-N 1 0 360.454 4.052 20 5 FIBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000462763857 1117754160 /nfs/dbraw/zinc/75/41/60/1117754160.db2.gz PNFABWLZYIAIKE-RTBURBONSA-N 1 0 356.422 4.292 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000462823046 1117796690 /nfs/dbraw/zinc/79/66/90/1117796690.db2.gz YBEIXKTXWYQAQG-JKSUJKDBSA-N 1 0 357.429 4.219 20 5 FIBDRO CCc1ccc([C@H]([NH2+]C[C@@](C)(OC)C2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000462821851 1117796764 /nfs/dbraw/zinc/79/67/64/1117796764.db2.gz RKGFQCKZZMWMFJ-WOJBJXKFSA-N 1 0 358.438 4.244 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CCOc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] ZINC000540157094 1117909450 /nfs/dbraw/zinc/90/94/50/1117909450.db2.gz AMIXQQDOHDAOCH-LBPRGKRZSA-N 1 0 369.343 4.047 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2nc(-c3ccncc3)cs2)cc1[N+](=O)[O-] ZINC000540170732 1117912684 /nfs/dbraw/zinc/91/26/84/1117912684.db2.gz NOOBDMBFDYYSDJ-CQSZACIVSA-N 1 0 368.462 4.315 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)cc1[N+](=O)[O-] ZINC000540189977 1117920827 /nfs/dbraw/zinc/92/08/27/1117920827.db2.gz YLGGJFVQBMLOJP-QGZVFWFLSA-N 1 0 356.422 4.224 20 5 FIBDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000463189542 1118006376 /nfs/dbraw/zinc/00/63/76/1118006376.db2.gz ATIASSCSAWWBQR-WQOWLQHVSA-N 1 0 368.424 4.025 20 5 FIBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000540446939 1118059083 /nfs/dbraw/zinc/05/90/83/1118059083.db2.gz SOFDJUMCRCKMAN-GFCCVEGCSA-N 1 0 354.328 4.343 20 5 FIBDRO C[C@@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000540789392 1118248409 /nfs/dbraw/zinc/24/84/09/1118248409.db2.gz PMIJMPCSZBSSJT-IXDOHACOSA-N 1 0 369.465 4.377 20 5 FIBDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000541381995 1118496048 /nfs/dbraw/zinc/49/60/48/1118496048.db2.gz VOQQIFADMNDLRO-INIZCTEOSA-N 1 0 370.405 4.185 20 5 FIBDRO O=[N+]([O-])c1cccc(C[N@H+](CCCOc2ccccc2)C2CCOCC2)c1 ZINC000464578286 1118609286 /nfs/dbraw/zinc/60/92/86/1118609286.db2.gz XVBBALPKTDKGFQ-UHFFFAOYSA-N 1 0 370.449 4.045 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000464593587 1118619735 /nfs/dbraw/zinc/61/97/35/1118619735.db2.gz DJQDZWVXZASAFO-UHFFFAOYSA-N 1 0 370.449 4.045 20 5 FIBDRO COCCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000090217470 1118711262 /nfs/dbraw/zinc/71/12/62/1118711262.db2.gz MQKAFGZJLIHZDV-JKSUJKDBSA-N 1 0 358.438 4.340 20 5 FIBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000464862013 1118727809 /nfs/dbraw/zinc/72/78/09/1118727809.db2.gz WGMHJGHFCSXNCJ-RDTXWAMCSA-N 1 0 371.437 4.298 20 5 FIBDRO Cc1ccnc(OC2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000542050301 1118772887 /nfs/dbraw/zinc/77/28/87/1118772887.db2.gz WNAUQXOAEQSUDQ-INIZCTEOSA-N 1 0 355.438 4.211 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](OC)C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000465011000 1118789306 /nfs/dbraw/zinc/78/93/06/1118789306.db2.gz KOGFQKOTHHXTOH-SFHVURJKSA-N 1 0 362.426 4.014 20 5 FIBDRO Cc1cc(N2CCC(C(=O)OC(C)(C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542102918 1118793408 /nfs/dbraw/zinc/79/34/08/1118793408.db2.gz VGKGEPSXOSAVHL-UHFFFAOYSA-N 1 0 371.437 4.010 20 5 FIBDRO COCCCOc1cccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000193041744 1118891323 /nfs/dbraw/zinc/89/13/23/1118891323.db2.gz GVOBQCDJIGYCLK-NRFANRHFSA-N 1 0 370.449 4.177 20 5 FIBDRO CCC[NH+]1CCC(N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000491343840 1118936735 /nfs/dbraw/zinc/93/67/35/1118936735.db2.gz SQCKFXROGFEIGI-NRFANRHFSA-N 1 0 353.466 4.148 20 5 FIBDRO CC(C)([NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1[N+](=O)[O-] ZINC000492419470 1119086545 /nfs/dbraw/zinc/08/65/45/1119086545.db2.gz VQWQMERNLYMTQU-SFHVURJKSA-N 1 0 370.449 4.178 20 5 FIBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)ccc1[N+](=O)[O-] ZINC000492462307 1119097732 /nfs/dbraw/zinc/09/77/32/1119097732.db2.gz MTGIDDKZRYZTNQ-GOSISDBHSA-N 1 0 356.422 4.339 20 5 FIBDRO CCOc1cc(CN2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000492466609 1119098558 /nfs/dbraw/zinc/09/85/58/1119098558.db2.gz ZEJBLFXVGNQNNO-JLTOFOAXSA-N 1 0 374.412 4.095 20 5 FIBDRO CCOc1cc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)ccc1[N+](=O)[O-] ZINC000492777360 1119186638 /nfs/dbraw/zinc/18/66/38/1119186638.db2.gz XQJNZGMZPBOPMR-UHFFFAOYSA-N 1 0 356.422 4.111 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000492781536 1119187606 /nfs/dbraw/zinc/18/76/06/1119187606.db2.gz DBBGNRQGOQQYQT-KPZWWZAWSA-N 1 0 364.829 4.123 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-] ZINC000493008786 1119242847 /nfs/dbraw/zinc/24/28/47/1119242847.db2.gz LGHKEOYVFZBIJH-NSHDSACASA-N 1 0 352.337 4.056 20 5 FIBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000493210855 1119345344 /nfs/dbraw/zinc/34/53/44/1119345344.db2.gz NLKFEOPJROFGPW-QGZVFWFLSA-N 1 0 373.884 4.202 20 5 FIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761507057 1119402863 /nfs/dbraw/zinc/40/28/63/1119402863.db2.gz SPEVNLIDPAOMRD-LZWOXQAQSA-N 1 0 351.878 4.085 20 5 FIBDRO CCC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000493240669 1119431406 /nfs/dbraw/zinc/43/14/06/1119431406.db2.gz WLXFCBWRYBZCJN-JLZZUVOBSA-N 1 0 352.862 4.274 20 5 FIBDRO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000031621070 1119516598 /nfs/dbraw/zinc/51/65/98/1119516598.db2.gz SEWMQYYKPMHONP-UHFFFAOYSA-N 1 0 353.422 4.141 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CC(C)(C)CCCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542474842 1119557245 /nfs/dbraw/zinc/55/72/45/1119557245.db2.gz OZPGMHSPXNZQBL-IBGZPJMESA-N 1 0 360.454 4.228 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191854678 1119999134 /nfs/dbraw/zinc/99/91/34/1119999134.db2.gz GDFMRHLLHODHOY-LRQRDZAKSA-N 1 0 354.450 4.283 20 5 FIBDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494715088 1120079650 /nfs/dbraw/zinc/07/96/50/1120079650.db2.gz LSPCFQYPMAZEAD-PMACEKPBSA-N 1 0 356.466 4.317 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000542500910 1120230790 /nfs/dbraw/zinc/23/07/90/1120230790.db2.gz MQQGKMJPRHWDEU-SFHVURJKSA-N 1 0 350.365 4.369 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCCC(F)(F)C2)n1 ZINC000495008953 1120427256 /nfs/dbraw/zinc/42/72/56/1120427256.db2.gz ZAZPXTVRKQRLLM-RBSFLKMASA-N 1 0 356.417 4.080 20 5 FIBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000542555796 1120786078 /nfs/dbraw/zinc/78/60/78/1120786078.db2.gz GFTZQPKRIPKPIJ-GWCFXTLKSA-N 1 0 367.858 4.378 20 5 FIBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000495428580 1120804027 /nfs/dbraw/zinc/80/40/27/1120804027.db2.gz YDRXTWYOUVRXKD-ZVDOUQERSA-N 1 0 360.498 4.489 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000193386691 1120845046 /nfs/dbraw/zinc/84/50/46/1120845046.db2.gz QKIJSASHRGAASE-HNNXBMFYSA-N 1 0 367.449 4.387 20 5 FIBDRO O=C(C[NH2+]Cc1c2ccccc2cc2ccccc21)NCc1ccccc1 ZINC000915229013 1120886740 /nfs/dbraw/zinc/88/67/40/1120886740.db2.gz QSNISDGDAQIBBY-UHFFFAOYSA-N 1 0 354.453 4.399 20 5 FIBDRO C[N@H+](CCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000915307698 1120918522 /nfs/dbraw/zinc/91/85/22/1120918522.db2.gz PSPVFRLTHGUTOC-UHFFFAOYSA-N 1 0 368.865 4.024 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000153656224 1121007069 /nfs/dbraw/zinc/00/70/69/1121007069.db2.gz JMDAWNOUGGTOIR-CQSZACIVSA-N 1 0 354.385 4.079 20 5 FIBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(Cl)c1 ZINC000487998882 1121013540 /nfs/dbraw/zinc/01/35/40/1121013540.db2.gz YMBRBGMSNGPGIZ-MRXNPFEDSA-N 1 0 359.857 4.225 20 5 FIBDRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000090620630 1121073586 /nfs/dbraw/zinc/07/35/86/1121073586.db2.gz LXJFQEFHLIAWEN-AWEZNQCLSA-N 1 0 369.421 4.055 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000326406443 1121160689 /nfs/dbraw/zinc/16/06/89/1121160689.db2.gz IXTSMUQFNVYLAJ-JQHSSLGASA-N 1 0 352.862 4.154 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]C3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000194065422 1121205194 /nfs/dbraw/zinc/20/51/94/1121205194.db2.gz ZYNIKHZWNRILJS-UHFFFAOYSA-N 1 0 358.463 4.323 20 5 FIBDRO Cn1cc(C[NH2+]C2CC(c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105492440 1121260297 /nfs/dbraw/zinc/26/02/97/1121260297.db2.gz CIJUEDIWVJTSSG-UHFFFAOYSA-N 1 0 362.433 4.031 20 5 FIBDRO CC(=O)c1c(NCc2ccc(-n3ccnc3C)c(F)c2)cccc1[N+](=O)[O-] ZINC000763204602 1121272909 /nfs/dbraw/zinc/27/29/09/1121272909.db2.gz VJIQLKWCZNAJQS-UHFFFAOYSA-N 1 0 368.368 4.043 20 5 FIBDRO COc1cc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000301450347 1121961908 /nfs/dbraw/zinc/96/19/08/1121961908.db2.gz XDUICTQNRPQRJF-ACJLOTCBSA-N 1 0 361.467 4.160 20 5 FIBDRO CCOc1c(OC)cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000126959371 1122030402 /nfs/dbraw/zinc/03/04/02/1122030402.db2.gz GWVISJPYALAEIE-AWEZNQCLSA-N 1 0 374.437 4.170 20 5 FIBDRO CC(C)n1cc2c(n1)[C@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CCC2 ZINC000765812313 1122102128 /nfs/dbraw/zinc/10/21/28/1122102128.db2.gz AHOMLQAFEUTJMZ-RTBURBONSA-N 1 0 368.481 4.361 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000765820477 1122158370 /nfs/dbraw/zinc/15/83/70/1122158370.db2.gz YDFWNGGLDMWYJN-IFXJQAMLSA-N 1 0 362.857 4.067 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000154294184 1122200342 /nfs/dbraw/zinc/20/03/42/1122200342.db2.gz NDHLNTVRSKBTHL-DOXZYTNZSA-N 1 0 358.438 4.156 20 5 FIBDRO O=[N+]([O-])c1ccc2nc(NC[C@H](c3cccs3)[NH+]3CCCC3)ccc2c1 ZINC000301557550 1122219953 /nfs/dbraw/zinc/21/99/53/1122219953.db2.gz XAXZBURLISOMJM-QGZVFWFLSA-N 1 0 368.462 4.454 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1 ZINC000301593311 1122232038 /nfs/dbraw/zinc/23/20/38/1122232038.db2.gz ZRPVXKGCESBQBU-KRWDZBQOSA-N 1 0 369.465 4.215 20 5 FIBDRO CSC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000153615625 1122244617 /nfs/dbraw/zinc/24/46/17/1122244617.db2.gz KPHBGZJGZWEPLO-YVEFUNNKSA-N 1 0 366.508 4.088 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000542691640 1122287148 /nfs/dbraw/zinc/28/71/48/1122287148.db2.gz UDGPSYNHUFKRTN-FXAWDEMLSA-N 1 0 374.412 4.143 20 5 FIBDRO C[N@H+](CCc1ccncc1)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000542692383 1122288455 /nfs/dbraw/zinc/28/84/55/1122288455.db2.gz KXKYWSAMRFDGBR-UHFFFAOYSA-N 1 0 353.447 4.393 20 5 FIBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccs1 ZINC000497966350 1122486671 /nfs/dbraw/zinc/48/66/71/1122486671.db2.gz RTEQXJDODSDVBU-CYBMUJFWSA-N 1 0 359.373 4.390 20 5 FIBDRO CC(C)(CO)[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000556078146 1122640673 /nfs/dbraw/zinc/64/06/73/1122640673.db2.gz BPECLYUMWWUPLJ-LEWJYISDSA-N 1 0 368.477 4.364 20 5 FIBDRO COc1ccccc1[C@@H](CNc1cccc(F)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000919963500 1123287980 /nfs/dbraw/zinc/28/79/80/1123287980.db2.gz VTAOJDWSYDAACT-GOSISDBHSA-N 1 0 373.428 4.382 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000499249691 1123359446 /nfs/dbraw/zinc/35/94/46/1123359446.db2.gz VFTXKNGJIVHZSR-HUUCEWRRSA-N 1 0 367.449 4.151 20 5 FIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000609540698 1123748541 /nfs/dbraw/zinc/74/85/41/1123748541.db2.gz JYGXVWZUAUNROL-UHFFFAOYSA-N 1 0 358.413 4.163 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(Br)c1 ZINC000037668433 1123838188 /nfs/dbraw/zinc/83/81/88/1123838188.db2.gz MKVVCKFOIAMLMV-JTQLQIEISA-N 1 0 353.191 4.347 20 5 FIBDRO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000609825917 1123850753 /nfs/dbraw/zinc/85/07/53/1123850753.db2.gz BKCPFUSLZFLYGX-BLLLJJGKSA-N 1 0 372.412 4.127 20 5 FIBDRO CC[C@](C)(CO)[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000610088856 1123936900 /nfs/dbraw/zinc/93/69/00/1123936900.db2.gz GSVDMVSXDLLPNB-LJQANCHMSA-N 1 0 360.479 4.305 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)cccc1[N+](=O)[O-] ZINC000153656442 1124183628 /nfs/dbraw/zinc/18/36/28/1124183628.db2.gz DDEQFUMNXKERMO-CQSZACIVSA-N 1 0 354.385 4.079 20 5 FIBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(F)c(Cl)cc1Cl ZINC000765850373 1124204731 /nfs/dbraw/zinc/20/47/31/1124204731.db2.gz XWNRFFHEACJKME-FVMDXXJSSA-N 1 0 373.211 4.425 20 5 FIBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000327049954 1124269710 /nfs/dbraw/zinc/26/97/10/1124269710.db2.gz IKEINMSIHKMSNH-UHFFFAOYSA-N 1 0 361.829 4.342 20 5 FIBDRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000153714532 1124360915 /nfs/dbraw/zinc/36/09/15/1124360915.db2.gz WWPUKHMXGZYYDR-AWEZNQCLSA-N 1 0 368.412 4.387 20 5 FIBDRO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)n1 ZINC000542864608 1124520103 /nfs/dbraw/zinc/52/01/03/1124520103.db2.gz FVDBVVQTPANDGZ-INIZCTEOSA-N 1 0 354.454 4.244 20 5 FIBDRO COc1ccc(NC(=O)C[N@H+](C(C)C)[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000428839529 1124526832 /nfs/dbraw/zinc/52/68/32/1124526832.db2.gz KHOXAMFSPHAIDC-HNNXBMFYSA-N 1 0 371.437 4.014 20 5 FIBDRO c1ccc2c(c1)cc1ccccc1c2C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000181081060 1124529325 /nfs/dbraw/zinc/52/93/25/1124529325.db2.gz ORXPPJIUBMZXGG-IBGZPJMESA-N 1 0 363.457 4.005 20 5 FIBDRO O=[N+]([O-])c1cc(CN(CCc2ccccc2)Cc2cccnc2)cs1 ZINC000617547736 1124750683 /nfs/dbraw/zinc/75/06/83/1124750683.db2.gz SQARLQZBKFVIPV-UHFFFAOYSA-N 1 0 353.447 4.296 20 5 FIBDRO COc1cc(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000301654513 1124868742 /nfs/dbraw/zinc/86/87/42/1124868742.db2.gz UQMXDLKFVOBUQF-CQSZACIVSA-N 1 0 373.428 4.380 20 5 FIBDRO O=[N+]([O-])c1ccc(CN2CC=C(c3c[nH]c4ncccc34)CC2)c(Cl)c1 ZINC000542930465 1124888269 /nfs/dbraw/zinc/88/82/69/1124888269.db2.gz QFBJYRXGAGPJMG-UHFFFAOYSA-N 1 0 368.824 4.414 20 5 FIBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000542929388 1124889203 /nfs/dbraw/zinc/88/92/03/1124889203.db2.gz XXMRHQDFCSIWCI-USXIJHARSA-N 1 0 352.862 4.274 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)cc1 ZINC000069712397 1125120471 /nfs/dbraw/zinc/12/04/71/1125120471.db2.gz LJXIOCJGWRMXJC-UHFFFAOYSA-N 1 0 353.353 4.211 20 5 FIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000181763474 1125128906 /nfs/dbraw/zinc/12/89/06/1125128906.db2.gz NKNJDPNEUJLWSY-NSHDSACASA-N 1 0 365.792 4.067 20 5 FIBDRO COC(=O)c1cc2cc(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)ccc2o1 ZINC000181809063 1125141672 /nfs/dbraw/zinc/14/16/72/1125141672.db2.gz JOXFZBPJLDOCSA-CYBMUJFWSA-N 1 0 368.389 4.287 20 5 FIBDRO CC(C)[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000077269772 1125162968 /nfs/dbraw/zinc/16/29/68/1125162968.db2.gz FNNYGSAXUPFBAA-UHFFFAOYSA-N 1 0 366.421 4.098 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1ccc(OC)c(NC(C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000131979174 1125169847 /nfs/dbraw/zinc/16/98/47/1125169847.db2.gz ZPYHGHCXMOQRFC-GOSISDBHSA-N 1 0 371.437 4.193 20 5 FIBDRO Cc1ccccc1C[NH+]1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301742366 1125187980 /nfs/dbraw/zinc/18/79/80/1125187980.db2.gz LVNNDUPTIUWGHG-UHFFFAOYSA-N 1 0 360.845 4.028 20 5 FIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301743531 1125190969 /nfs/dbraw/zinc/19/09/69/1125190969.db2.gz MLWHZCNUIXVYJF-ZDUSSCGKSA-N 1 0 360.845 4.281 20 5 FIBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(F)c1F ZINC000181961528 1125191207 /nfs/dbraw/zinc/19/12/07/1125191207.db2.gz RLJUIHNUGJMVFG-GFCCVEGCSA-N 1 0 373.359 4.421 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000301750038 1125196455 /nfs/dbraw/zinc/19/64/55/1125196455.db2.gz ALAZXKDLNQEAJQ-BLLLJJGKSA-N 1 0 369.387 4.067 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2cc(O)ccc2C1 ZINC000618615768 1125222780 /nfs/dbraw/zinc/22/27/80/1125222780.db2.gz YLXHAOSZZYZQQX-CUWPLCDZSA-N 1 0 366.461 4.159 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2cc(O)ccc2C1 ZINC000618615770 1125223175 /nfs/dbraw/zinc/22/31/75/1125223175.db2.gz YLXHAOSZZYZQQX-FBBABVLZSA-N 1 0 366.461 4.159 20 5 FIBDRO COc1cc2c(cc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)O[C@@H](C)C2 ZINC000132075616 1125253156 /nfs/dbraw/zinc/25/31/56/1125253156.db2.gz XLGGWHLDDVHLRK-KBPBESRZSA-N 1 0 356.422 4.086 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCOc3ccccc32)cc(C(F)(F)F)c1 ZINC000618730004 1125257002 /nfs/dbraw/zinc/25/70/02/1125257002.db2.gz CGPZOLBZMADQSP-ZDUSSCGKSA-N 1 0 366.339 4.270 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000182160307 1125271376 /nfs/dbraw/zinc/27/13/76/1125271376.db2.gz WXWIKYDFAOQLDM-OYYNGEPBSA-N 1 0 362.376 4.362 20 5 FIBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000618984261 1125411320 /nfs/dbraw/zinc/41/13/20/1125411320.db2.gz IHOWVLUIZGUCGI-ZMZPIMSZSA-N 1 0 366.421 4.250 20 5 FIBDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000481678206 568085660 /nfs/dbraw/zinc/08/56/60/568085660.db2.gz PJBCMZIZZZIHDK-CYBMUJFWSA-N 1 0 352.356 4.377 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nccn2C[C@@H](O)Cc2ccc3ccccc3c2)cc1 ZINC000481719931 568093946 /nfs/dbraw/zinc/09/39/46/568093946.db2.gz RKKKCULEFNIDNT-NRFANRHFSA-N 1 0 373.412 4.215 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000568804219 568226740 /nfs/dbraw/zinc/22/67/40/568226740.db2.gz KVSBRPAZTNJWMO-HUCIYCNJSA-N 1 0 364.445 4.292 20 5 FIBDRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)N2CCCC2)o1 ZINC000482014307 568230675 /nfs/dbraw/zinc/23/06/75/568230675.db2.gz JGNYYEVOFYWQKP-VQIMIIECSA-N 1 0 357.454 4.292 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000568933741 568253531 /nfs/dbraw/zinc/25/35/31/568253531.db2.gz RJUIENSMWASPLR-LVVHEOIOSA-N 1 0 364.445 4.113 20 5 FIBDRO Cc1nccn1CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482109919 568275548 /nfs/dbraw/zinc/27/55/48/568275548.db2.gz MCAQFWLFXBXCAZ-CYBMUJFWSA-N 1 0 356.451 4.179 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000570607354 568490761 /nfs/dbraw/zinc/49/07/61/568490761.db2.gz RFCSOCWLWUUFKN-APWZRJJASA-N 1 0 351.450 4.101 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000570607357 568490783 /nfs/dbraw/zinc/49/07/83/568490783.db2.gz RFCSOCWLWUUFKN-VQIMIIECSA-N 1 0 351.450 4.101 20 5 FIBDRO Cc1cc(N2CCc3[nH]c4ccccc4c3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543031761 1125500752 /nfs/dbraw/zinc/50/07/52/1125500752.db2.gz APTBWSLVQBDAOO-UHFFFAOYSA-N 1 0 358.401 4.495 20 5 FIBDRO CCCN(CC(=O)Nc1ccccc1C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000078491661 1125541553 /nfs/dbraw/zinc/54/15/53/1125541553.db2.gz VQWWXYYLQVDPSJ-INIZCTEOSA-N 1 0 355.438 4.315 20 5 FIBDRO C[C@H]1CCCN(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000608836261 1079877124 /nfs/dbraw/zinc/87/71/24/1079877124.db2.gz WWRLLYGMRLVJMJ-HNNXBMFYSA-N 1 0 359.495 4.145 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000430210356 1079963005 /nfs/dbraw/zinc/96/30/05/1079963005.db2.gz CZQNJDISMMLWQC-LLVKDONJSA-N 1 0 370.327 4.353 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000430225836 1080027333 /nfs/dbraw/zinc/02/73/33/1080027333.db2.gz ZDENNQCSFRSBBT-LLVKDONJSA-N 1 0 354.328 4.473 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000134460929 1080233385 /nfs/dbraw/zinc/23/33/85/1080233385.db2.gz KHUBHSHWBRDGAA-LBPRGKRZSA-N 1 0 371.384 4.450 20 5 FIBDRO Cc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c(O[C@@H]2CCOC2)c1 ZINC000120604166 1080315172 /nfs/dbraw/zinc/31/51/72/1080315172.db2.gz CMCNYHPUPKRGPM-VQIMIIECSA-N 1 0 370.449 4.230 20 5 FIBDRO Cc1cccnc1[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC000120661569 1080374596 /nfs/dbraw/zinc/37/45/96/1080374596.db2.gz YRWRWSRKYMQUFT-FQEVSTJZSA-N 1 0 368.481 4.254 20 5 FIBDRO CCOc1cc(NCc2ccccc2C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000471260347 1080625844 /nfs/dbraw/zinc/62/58/44/1080625844.db2.gz ZRAUCHTTWNGGKG-UHFFFAOYSA-N 1 0 357.454 4.446 20 5 FIBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000468005840 1080780457 /nfs/dbraw/zinc/78/04/57/1080780457.db2.gz POPKUFLEMWWTCB-HNNXBMFYSA-N 1 0 350.365 4.480 20 5 FIBDRO COc1ccc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000175754657 1081000602 /nfs/dbraw/zinc/00/06/02/1081000602.db2.gz XTUJJGKFQGDHGX-LLVKDONJSA-N 1 0 370.327 4.353 20 5 FIBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1Br ZINC000043596450 1081152265 /nfs/dbraw/zinc/15/22/65/1081152265.db2.gz NWCBTVINZGTNSI-LBPRGKRZSA-N 1 0 358.280 4.280 20 5 FIBDRO COCC[C@H](COC)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000580205356 1081747440 /nfs/dbraw/zinc/74/74/40/1081747440.db2.gz CBJIITZZXQJBOZ-ZIAGYGMSSA-N 1 0 364.467 4.025 20 5 FIBDRO C[C@@H](N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610420444 1081835742 /nfs/dbraw/zinc/83/57/42/1081835742.db2.gz IAWPQWRURWCKGM-UTKZUKDTSA-N 1 0 353.466 4.473 20 5 FIBDRO C[C@H](N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610420443 1081835837 /nfs/dbraw/zinc/83/58/37/1081835837.db2.gz IAWPQWRURWCKGM-LAUBAEHRSA-N 1 0 353.466 4.473 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1)c1cccc([N+](=O)[O-])c1 ZINC000610420489 1081839687 /nfs/dbraw/zinc/83/96/87/1081839687.db2.gz VMMMYOZPSCLVQA-KXBFYZLASA-N 1 0 374.444 4.260 20 5 FIBDRO Cc1c(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000379652725 1081842733 /nfs/dbraw/zinc/84/27/33/1081842733.db2.gz XUNUPXPIQXZDGJ-JXFKEZNVSA-N 1 0 353.466 4.046 20 5 FIBDRO COc1cccc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000379664031 1081851840 /nfs/dbraw/zinc/85/18/40/1081851840.db2.gz NNBVNBWUAUQHGQ-DOTOQJQBSA-N 1 0 355.438 4.068 20 5 FIBDRO Cc1cc(C[NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)n(C)n1 ZINC000579574302 1081893938 /nfs/dbraw/zinc/89/39/38/1081893938.db2.gz QWQWKTLWBJGCAL-CYBMUJFWSA-N 1 0 356.451 4.216 20 5 FIBDRO CC(C)Oc1ccccc1[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000580518081 1081990579 /nfs/dbraw/zinc/99/05/79/1081990579.db2.gz HNYPHGDCSWWIKT-ZDUSSCGKSA-N 1 0 354.410 4.109 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccccc1Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000119267195 1082072753 /nfs/dbraw/zinc/07/27/53/1082072753.db2.gz QLNCGUHBIBDTCE-HXUWFJFHSA-N 1 0 350.422 4.081 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000156716913 1082239665 /nfs/dbraw/zinc/23/96/65/1082239665.db2.gz TWEHYHWBPHUPOC-CVEARBPZSA-N 1 0 367.449 4.442 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000156715962 1082240124 /nfs/dbraw/zinc/24/01/24/1082240124.db2.gz QLGQXYWTPXIJNE-HOTGVXAUSA-N 1 0 367.449 4.442 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C2CCN(CCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000177969320 1082441104 /nfs/dbraw/zinc/44/11/04/1082441104.db2.gz PMDWTBURZMEONY-SFHVURJKSA-N 1 0 367.493 4.261 20 5 FIBDRO Cc1cccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC001167457556 1082518069 /nfs/dbraw/zinc/51/80/69/1082518069.db2.gz FBAGQJHCPLBNNB-LJQANCHMSA-N 1 0 367.449 4.459 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000178020548 1082589630 /nfs/dbraw/zinc/58/96/30/1082589630.db2.gz CHSUERDYNBHYNT-LSDHHAIUSA-N 1 0 356.422 4.476 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178090211 1082731641 /nfs/dbraw/zinc/73/16/41/1082731641.db2.gz YMYWRJFZJSNXNR-HXUWFJFHSA-N 1 0 350.422 4.412 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000610538860 1082909145 /nfs/dbraw/zinc/90/91/45/1082909145.db2.gz ZATYOLOWTZFHIE-HNAYVOBHSA-N 1 0 374.444 4.260 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4ncc[nH]4)C3)s2)cc1 ZINC000510536678 1083147140 /nfs/dbraw/zinc/14/71/40/1083147140.db2.gz YNCPGORYDFOJGE-OAHLLOKOSA-N 1 0 368.462 4.426 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000610664757 1083307187 /nfs/dbraw/zinc/30/71/87/1083307187.db2.gz MJRYGNHPJBDBCF-UHFFFAOYSA-N 1 0 367.449 4.062 20 5 FIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(N2CCCC2)nc1 ZINC000179320284 1083371192 /nfs/dbraw/zinc/37/11/92/1083371192.db2.gz NPHKTEPPZRQWDJ-UHFFFAOYSA-N 1 0 354.454 4.001 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC([C@@H]4CCCO4)CC3)o2)c1 ZINC000188244611 1083378108 /nfs/dbraw/zinc/37/81/08/1083378108.db2.gz ZZFGYZZNDDIBIG-IBGZPJMESA-N 1 0 356.422 4.246 20 5 FIBDRO CC(C)Oc1cccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000179683587 1083605810 /nfs/dbraw/zinc/60/58/10/1083605810.db2.gz FYXPIRFGZYJKLK-HNNXBMFYSA-N 1 0 371.437 4.061 20 5 FIBDRO CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167135801 1083624481 /nfs/dbraw/zinc/62/44/81/1083624481.db2.gz VSMYRIKIWHQLKJ-INIZCTEOSA-N 1 0 358.438 4.169 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCCC3)o2)c(Br)c1 ZINC000535778429 1083651657 /nfs/dbraw/zinc/65/16/57/1083651657.db2.gz RIZPCADBJOYAIT-UHFFFAOYSA-N 1 0 351.200 4.213 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccccc1C ZINC000535777045 1083652407 /nfs/dbraw/zinc/65/24/07/1083652407.db2.gz IKQFSXSYSBZZPB-WBVHZDCISA-N 1 0 360.479 4.097 20 5 FIBDRO O=[N+]([O-])c1ccc(F)cc1CN(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000177159860 1083688908 /nfs/dbraw/zinc/68/89/08/1083688908.db2.gz ZJQXLGMSFTVWBJ-IBGZPJMESA-N 1 0 370.380 4.063 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1cccc([N+](=O)[O-])c1 ZINC000610799732 1083705503 /nfs/dbraw/zinc/70/55/03/1083705503.db2.gz LJVFTUYUSDQQIF-SCLBCKFNSA-N 1 0 353.422 4.281 20 5 FIBDRO C[C@H](N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000610809710 1083719622 /nfs/dbraw/zinc/71/96/22/1083719622.db2.gz PVVYUSJOUKHGOU-UWJYYQICSA-N 1 0 353.466 4.473 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)cccc1[N+](=O)[O-] ZINC000610812610 1083726335 /nfs/dbraw/zinc/72/63/35/1083726335.db2.gz DBGYQAAZVRUSDH-ZFWWWQNUSA-N 1 0 361.392 4.111 20 5 FIBDRO CCC[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000610818814 1083747503 /nfs/dbraw/zinc/74/75/03/1083747503.db2.gz XZLJGZZSQVOXGT-BLLLJJGKSA-N 1 0 354.410 4.369 20 5 FIBDRO CC[C@H]([NH2+]CCc1c[nH]c2ccc(OC)cc12)c1cccc([N+](=O)[O-])c1 ZINC000610817649 1083748082 /nfs/dbraw/zinc/74/80/82/1083748082.db2.gz CYPYUPBSTJWGFZ-IBGZPJMESA-N 1 0 353.422 4.368 20 5 FIBDRO CCC[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000188524482 1083755588 /nfs/dbraw/zinc/75/55/88/1083755588.db2.gz BDFQQHINCKFBLD-KRWDZBQOSA-N 1 0 373.419 4.300 20 5 FIBDRO CC[C@H]([NH2+]CCC(=O)Nc1cccc(F)c1C)c1cccc([N+](=O)[O-])c1 ZINC000411470645 1083780602 /nfs/dbraw/zinc/78/06/02/1083780602.db2.gz CKUSAGONVCTDSP-KRWDZBQOSA-N 1 0 359.401 4.112 20 5 FIBDRO Cc1c(C[NH2+][C@H]2CCc3c2cccc3Br)cccc1[N+](=O)[O-] ZINC000389407844 1083798827 /nfs/dbraw/zinc/79/88/27/1083798827.db2.gz KNMDHBMIEDXRAE-INIZCTEOSA-N 1 0 361.239 4.443 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCOC4(CCCC4)C3)o2)cc1 ZINC000136698627 1083892222 /nfs/dbraw/zinc/89/22/22/1083892222.db2.gz PXHSNCZVGBJNJO-MRXNPFEDSA-N 1 0 356.422 4.436 20 5 FIBDRO C[C@H](c1ccc2ccccc2c1)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000472440356 1083908341 /nfs/dbraw/zinc/90/83/41/1083908341.db2.gz SHRGTXQONRULCC-OAHLLOKOSA-N 1 0 350.422 4.170 20 5 FIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000178479079 1083982443 /nfs/dbraw/zinc/98/24/43/1083982443.db2.gz XPYFUGBUJVFSKJ-YOEHRIQHSA-N 1 0 356.422 4.476 20 5 FIBDRO CC[C@@H]([NH2+][C@H](Cc1nc(C)no1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000277209856 1084020569 /nfs/dbraw/zinc/02/05/69/1084020569.db2.gz WLHPYQSAZKZYKN-RTBURBONSA-N 1 0 366.421 4.311 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3CCCCC3(F)F)CC2)cc1 ZINC001167499572 1084024314 /nfs/dbraw/zinc/02/43/14/1084024314.db2.gz LFGBZQCDHAOISY-AWEZNQCLSA-N 1 0 354.397 4.264 20 5 FIBDRO CCC1CCC(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000611560640 1084096375 /nfs/dbraw/zinc/09/63/75/1084096375.db2.gz JKVPXLXBJPLWDT-RJYAGPCLSA-N 1 0 356.470 4.224 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000156752513 1084229525 /nfs/dbraw/zinc/22/95/25/1084229525.db2.gz DLWJLFYCLRVPFD-CABCVRRESA-N 1 0 353.422 4.133 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] ZINC000156993308 1084287566 /nfs/dbraw/zinc/28/75/66/1084287566.db2.gz DBBAPJAPLWEVIM-HUUCEWRRSA-N 1 0 369.421 4.272 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000539069920 1084303355 /nfs/dbraw/zinc/30/33/55/1084303355.db2.gz FNLIAKDCAHIFLI-ZIAGYGMSSA-N 1 0 373.840 4.013 20 5 FIBDRO CCOc1ccc([C@H]2CCCN2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000511050650 1084397741 /nfs/dbraw/zinc/39/77/41/1084397741.db2.gz HXKPWVPSTWLTJB-LJQANCHMSA-N 1 0 366.421 4.207 20 5 FIBDRO Cc1noc(C)c1C[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000119790055 1084576970 /nfs/dbraw/zinc/57/69/70/1084576970.db2.gz FPADJUSOZFERPT-NSHDSACASA-N 1 0 372.450 4.044 20 5 FIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000551244011 1084583183 /nfs/dbraw/zinc/58/31/83/1084583183.db2.gz QRVNCPHZYJOZGA-JJXUHFIVSA-N 1 0 367.449 4.095 20 5 FIBDRO CN(C)C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000563249737 1084633295 /nfs/dbraw/zinc/63/32/95/1084633295.db2.gz KIPHOGYGOSUOCL-YEODSOHDSA-N 1 0 359.857 4.154 20 5 FIBDRO Cc1cc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1F ZINC000451161202 1084693270 /nfs/dbraw/zinc/69/32/70/1084693270.db2.gz HTMSMHDRYMYLJW-CQSZACIVSA-N 1 0 359.401 4.030 20 5 FIBDRO C[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000091739094 1084721213 /nfs/dbraw/zinc/72/12/13/1084721213.db2.gz CXEXJDLZRKJBLY-ZDUSSCGKSA-N 1 0 355.369 4.282 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000540147968 1084729849 /nfs/dbraw/zinc/72/98/49/1084729849.db2.gz QXSPJQFHNJQAAL-IAGOWNOFSA-N 1 0 368.481 4.174 20 5 FIBDRO Cc1nc(C(F)(F)F)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000511121972 1084985494 /nfs/dbraw/zinc/98/54/94/1084985494.db2.gz GVSFNBOALXIONI-UHFFFAOYSA-N 1 0 359.373 4.053 20 5 FIBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C1 ZINC000158295411 1084992660 /nfs/dbraw/zinc/99/26/60/1084992660.db2.gz RBQUITMFMIZKRX-UHFFFAOYSA-N 1 0 373.840 4.472 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)CCc1ccccc1 ZINC000479099411 1085085799 /nfs/dbraw/zinc/08/57/99/1085085799.db2.gz RCKJLUTXRMSZAJ-UHFFFAOYSA-N 1 0 369.465 4.233 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)CCc1ccccc1 ZINC000479100383 1085087931 /nfs/dbraw/zinc/08/79/31/1085087931.db2.gz LKFWXCYTASCXKJ-UHFFFAOYSA-N 1 0 369.465 4.233 20 5 FIBDRO C[C@H](Cc1ccsc1)[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001167582217 1085102973 /nfs/dbraw/zinc/10/29/73/1085102973.db2.gz MKGYPJMCARBFRH-LLVKDONJSA-N 1 0 369.284 4.482 20 5 FIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(OC[C@H]2CCOC2)c1 ZINC000124943323 1085220000 /nfs/dbraw/zinc/22/00/00/1085220000.db2.gz DBVZPGSFHCQPHX-SJORKVTESA-N 1 0 370.449 4.169 20 5 FIBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000479611887 1085231530 /nfs/dbraw/zinc/23/15/30/1085231530.db2.gz ABPIOEWMTSDMCN-GOEBONIOSA-N 1 0 374.441 4.056 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4CCC[C@@H]43)nc2c1 ZINC000511878139 1085276103 /nfs/dbraw/zinc/27/61/03/1085276103.db2.gz WTBNMVWHEBAPLZ-QKLQHJQFSA-N 1 0 362.433 4.239 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@@H](c2ccccc2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000479850983 1085318058 /nfs/dbraw/zinc/31/80/58/1085318058.db2.gz JPJGXWDLLGVFSU-UWJYYQICSA-N 1 0 353.466 4.391 20 5 FIBDRO CCC(=O)c1ccc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000480080054 1085414663 /nfs/dbraw/zinc/41/46/63/1085414663.db2.gz FWOPIMWLZYSZQU-XLIONFOSSA-N 1 0 353.422 4.045 20 5 FIBDRO C[C@H](C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nccs1 ZINC000549545465 1085529632 /nfs/dbraw/zinc/52/96/32/1085529632.db2.gz VDRPMKKEGUVDHP-SNVBAGLBSA-N 1 0 359.373 4.306 20 5 FIBDRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178646117 1085557314 /nfs/dbraw/zinc/55/73/14/1085557314.db2.gz GYCQDQUIVBDVAQ-HUUCEWRRSA-N 1 0 355.438 4.430 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178651451 1085584766 /nfs/dbraw/zinc/58/47/66/1085584766.db2.gz YOPZHODALUWXFF-JTQLQIEISA-N 1 0 353.191 4.347 20 5 FIBDRO C[C@@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000178660840 1085679713 /nfs/dbraw/zinc/67/97/13/1085679713.db2.gz FNTKYHPSMBHAAD-CQSZACIVSA-N 1 0 350.422 4.060 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000178684977 1085809372 /nfs/dbraw/zinc/80/93/72/1085809372.db2.gz UAIMFBLNVHOTFZ-OLZOCXBDSA-N 1 0 361.829 4.234 20 5 FIBDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000178690659 1085817762 /nfs/dbraw/zinc/81/77/62/1085817762.db2.gz GQUUFXPJEGYDRY-KGLIPLIRSA-N 1 0 359.401 4.029 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cc2ccccc2o1 ZINC000472269200 1085823369 /nfs/dbraw/zinc/82/33/69/1085823369.db2.gz UHKGHLFTHITRNY-UHFFFAOYSA-N 1 0 367.405 4.110 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000582980276 1085984087 /nfs/dbraw/zinc/98/40/87/1085984087.db2.gz WJKZMUWWDAOHPG-GFCCVEGCSA-N 1 0 350.365 4.165 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)c(Nc2cnn(-c3cc[nH+]cc3)c2)c(Cl)c1 ZINC000613877477 1086327019 /nfs/dbraw/zinc/32/70/19/1086327019.db2.gz IVNIIEIITWWABS-UHFFFAOYSA-N 1 0 350.165 4.226 20 5 FIBDRO CC[C@@H]([NH2+]C1CCN(c2nc(C)cs2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000161600444 1086422381 /nfs/dbraw/zinc/42/23/81/1086422381.db2.gz KMBBXHXJTTVMNJ-QGZVFWFLSA-N 1 0 360.483 4.069 20 5 FIBDRO O=[N+]([O-])c1cccc2c(NCc3ccnc(N4CCCCC4)c3)ccnc21 ZINC000432317522 1086522772 /nfs/dbraw/zinc/52/27/72/1086522772.db2.gz JMVWXMFTZNPOHU-UHFFFAOYSA-N 1 0 363.421 4.140 20 5 FIBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)o2)c([N+](=O)[O-])c1 ZINC000585767819 1086693876 /nfs/dbraw/zinc/69/38/76/1086693876.db2.gz DZPKAGTWVINIFZ-YLJYHZDGSA-N 1 0 372.421 4.007 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1noc2ccccc12 ZINC000583510508 1086757017 /nfs/dbraw/zinc/75/70/17/1086757017.db2.gz UGYASVCPNFMVCZ-RHSMWYFYSA-N 1 0 351.406 4.237 20 5 FIBDRO CC(=O)Nc1cccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000279078422 1086787830 /nfs/dbraw/zinc/78/78/30/1086787830.db2.gz MJLHNQAQXGXJNR-LJQANCHMSA-N 1 0 353.422 4.065 20 5 FIBDRO CCn1nc(C)c(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1C ZINC000066995481 1086798844 /nfs/dbraw/zinc/79/88/44/1086798844.db2.gz CHRINCUZDGCECW-UHFFFAOYSA-N 1 0 370.478 4.446 20 5 FIBDRO CCn1c(=O)c2cc3ccccc3cc2nc1SCC[C@@H]1CCC[N@@H+]1C ZINC000536089991 1086874196 /nfs/dbraw/zinc/87/41/96/1086874196.db2.gz CWGQAAANBWPMEW-KRWDZBQOSA-N 1 0 367.518 4.146 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1csc(Br)c1 ZINC000583641177 1086890528 /nfs/dbraw/zinc/89/05/28/1086890528.db2.gz GXEPGFSLLCSWLT-LBPRGKRZSA-N 1 0 353.241 4.196 20 5 FIBDRO COc1ccc([C@@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c(C)c1OC ZINC000583715888 1086930998 /nfs/dbraw/zinc/93/09/98/1086930998.db2.gz CNKLVJNWCQBVFC-LOWQCSRCSA-N 1 0 356.422 4.284 20 5 FIBDRO Cc1cc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)nc(C)n1 ZINC000583922208 1087040456 /nfs/dbraw/zinc/04/04/56/1087040456.db2.gz CQLVRVQHRJLLRX-UHFFFAOYSA-N 1 0 354.435 4.020 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@](C)(Cc1ccccc1)[C@H](C)O ZINC000584207053 1087219415 /nfs/dbraw/zinc/21/94/15/1087219415.db2.gz VJOAMHCJCAVNLW-XGHQBKJUSA-N 1 0 356.466 4.184 20 5 FIBDRO CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000056170599 1087522928 /nfs/dbraw/zinc/52/29/28/1087522928.db2.gz YDHBTFZHDKKGLO-LSDHHAIUSA-N 1 0 371.437 4.060 20 5 FIBDRO Cc1cc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccc1[N+](=O)[O-] ZINC000480547141 1087528414 /nfs/dbraw/zinc/52/84/14/1087528414.db2.gz BVJYXSOHVPDQQF-UHFFFAOYSA-N 1 0 357.376 4.120 20 5 FIBDRO COc1ccc(-c2cnc(CN[C@H](C)c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000180405028 1087897675 /nfs/dbraw/zinc/89/76/75/1087897675.db2.gz IQQIGKRCTSMGMY-CYBMUJFWSA-N 1 0 353.378 4.109 20 5 FIBDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180442619 1087914809 /nfs/dbraw/zinc/91/48/09/1087914809.db2.gz MTUUZOPVLKJHKG-IERDGZPVSA-N 1 0 364.449 4.115 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)Oc2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000504900257 1087957762 /nfs/dbraw/zinc/95/77/62/1087957762.db2.gz URUDABLYJBQIQL-LSDHHAIUSA-N 1 0 374.437 4.120 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccsc2)N(C)C)cc1[N+](=O)[O-] ZINC000504896697 1087968559 /nfs/dbraw/zinc/96/85/59/1087968559.db2.gz ZKBNGZPINABIHQ-DYVFJYSZSA-N 1 0 363.483 4.009 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cc1c(C)noc1C ZINC000504920389 1087973405 /nfs/dbraw/zinc/97/34/05/1087973405.db2.gz OKYAFOWBYDGIDP-DOMZBBRYSA-N 1 0 363.483 4.291 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(COC)cc1 ZINC000504906168 1087976977 /nfs/dbraw/zinc/97/69/77/1087976977.db2.gz UMAFSSWAENSWLS-KRWDZBQOSA-N 1 0 360.479 4.402 20 5 FIBDRO CCc1cnc(CC[NH2+][C@@H](CC)CSc2ccccc2[N+](=O)[O-])s1 ZINC000504906234 1087977218 /nfs/dbraw/zinc/97/72/18/1087977218.db2.gz VKDJXJLHIAEXJA-ZDUSSCGKSA-N 1 0 365.524 4.317 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000504925487 1087993245 /nfs/dbraw/zinc/99/32/45/1087993245.db2.gz CKOPZOTVXYCOJI-MRXNPFEDSA-N 1 0 373.478 4.214 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000504925531 1087993524 /nfs/dbraw/zinc/99/35/24/1087993524.db2.gz DAALYEOHTRDAKT-LBPRGKRZSA-N 1 0 350.365 4.165 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000504927555 1087994889 /nfs/dbraw/zinc/99/48/89/1087994889.db2.gz QPPQGQWHIWGJOG-CABCVRRESA-N 1 0 364.467 4.344 20 5 FIBDRO CCOC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000505318914 1088350209 /nfs/dbraw/zinc/35/02/09/1088350209.db2.gz DNFKAJQLGOSTHW-UHFFFAOYSA-N 1 0 374.462 4.098 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2(Sc3ccccc3)CC2)n1 ZINC000472630090 1088627137 /nfs/dbraw/zinc/62/71/37/1088627137.db2.gz WJPRVPVMDZOFDE-IAGOWNOFSA-N 1 0 372.494 4.190 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(O)c2nc(C)ccc12)c1cccc([N+](=O)[O-])c1 ZINC000514144861 1088818922 /nfs/dbraw/zinc/81/89/22/1088818922.db2.gz JGLLVYFNTHJSFH-GOSISDBHSA-N 1 0 351.406 4.398 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000181520361 1088863983 /nfs/dbraw/zinc/86/39/83/1088863983.db2.gz SYLZZCJUBULOOH-HOTGVXAUSA-N 1 0 355.438 4.014 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000181530431 1088925222 /nfs/dbraw/zinc/92/52/22/1088925222.db2.gz KFVLJLXCMZACRJ-HZPDHXFCSA-N 1 0 355.438 4.014 20 5 FIBDRO COCCC(C)(C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000545349341 1088931082 /nfs/dbraw/zinc/93/10/82/1088931082.db2.gz JKDILUQIKBJYSC-UHFFFAOYSA-N 1 0 362.401 4.431 20 5 FIBDRO CC1(C)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCS1 ZINC000434710675 1088956060 /nfs/dbraw/zinc/95/60/60/1088956060.db2.gz JVFBXWQHRFRHHU-UHFFFAOYSA-N 1 0 361.467 4.010 20 5 FIBDRO COCC[N@H+](C)CC[C@@H](Nc1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 ZINC000505559823 1089110206 /nfs/dbraw/zinc/11/02/06/1089110206.db2.gz NKRLOUNMXQJYKS-LJQANCHMSA-N 1 0 357.454 4.025 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000434898009 1089115959 /nfs/dbraw/zinc/11/59/59/1089115959.db2.gz SYFVQDUVCIFVQR-LPHOPBHVSA-N 1 0 367.449 4.110 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c(Cl)c1 ZINC000541118847 1089239728 /nfs/dbraw/zinc/23/97/28/1089239728.db2.gz XZPJIRSYLJDJLB-MRXNPFEDSA-N 1 0 370.840 4.263 20 5 FIBDRO COc1ccc(OC)c([C@H]2CCCN2Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000505615423 1089328397 /nfs/dbraw/zinc/32/83/97/1089328397.db2.gz ZKHJOOUDQOCEJJ-QGZVFWFLSA-N 1 0 360.385 4.088 20 5 FIBDRO CSc1ccc([C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000549284273 1089559647 /nfs/dbraw/zinc/55/96/47/1089559647.db2.gz NFQPANIHIYVYPY-OAHLLOKOSA-N 1 0 366.874 4.080 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)CCC2 ZINC000515048511 1089739181 /nfs/dbraw/zinc/73/91/81/1089739181.db2.gz DGGFSQLOSIAICH-KRWDZBQOSA-N 1 0 365.355 4.218 20 5 FIBDRO CCc1nc2c(s1)[C@@H]([NH2+]CCc1c[nH]c3ccc([N+](=O)[O-])cc13)CCC2 ZINC000515089439 1089773089 /nfs/dbraw/zinc/77/30/89/1089773089.db2.gz JTILCDPNTMTTKV-INIZCTEOSA-N 1 0 370.478 4.305 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)CCC2 ZINC000365733243 1089940711 /nfs/dbraw/zinc/94/07/11/1089940711.db2.gz HHFHWDNFNZKOAE-DUXKGJEZSA-N 1 0 352.434 4.340 20 5 FIBDRO CC[NH+](CC)C[C@H]1CCN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000515314003 1089964493 /nfs/dbraw/zinc/96/44/93/1089964493.db2.gz LAOZUICEVJBFFG-CYBMUJFWSA-N 1 0 359.392 4.090 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H](c4ccccc4)C3)o2)c1 ZINC000104679690 1090294703 /nfs/dbraw/zinc/29/47/03/1090294703.db2.gz KYIGMAWSYNDHKK-GOSISDBHSA-N 1 0 363.417 4.282 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000378391447 1090342518 /nfs/dbraw/zinc/34/25/18/1090342518.db2.gz DJJHQFADEZRTAJ-RRMPHLOHSA-N 1 0 370.449 4.422 20 5 FIBDRO CC[C@@]1([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCOC1 ZINC000616487707 1090609044 /nfs/dbraw/zinc/60/90/44/1090609044.db2.gz JWMMBARJJFNPJT-LJQANCHMSA-N 1 0 360.385 4.185 20 5 FIBDRO COCCNc1ccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417312825 1090806474 /nfs/dbraw/zinc/80/64/74/1090806474.db2.gz OGBJXXIYIGZDEV-OAQYLSRUSA-N 1 0 369.465 4.210 20 5 FIBDRO COCCOc1cccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417330900 1090820988 /nfs/dbraw/zinc/82/09/88/1090820988.db2.gz VROFXMDRJQIMMG-NRFANRHFSA-N 1 0 370.449 4.177 20 5 FIBDRO COc1ncc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000417349154 1090828605 /nfs/dbraw/zinc/82/86/05/1090828605.db2.gz KLWITVKMZWROPI-QGZVFWFLSA-N 1 0 361.829 4.209 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@H](c3ccncc3)C1)CCCC2 ZINC000417350185 1090830346 /nfs/dbraw/zinc/83/03/46/1090830346.db2.gz ORVAAMFMSMOAIR-UIFIKXQLSA-N 1 0 367.449 4.267 20 5 FIBDRO CN(C(=O)CN1CCC[C@@H]1c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000053278753 1090868097 /nfs/dbraw/zinc/86/80/97/1090868097.db2.gz FMRKWJJXQGPKGA-GOSISDBHSA-N 1 0 373.840 4.048 20 5 FIBDRO Cc1cc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cc(N2CCCC2)n1 ZINC000584522571 1091015421 /nfs/dbraw/zinc/01/54/21/1091015421.db2.gz QEANTQOTHPJVQT-INIZCTEOSA-N 1 0 368.481 4.009 20 5 FIBDRO Cc1ccc([C@H]2CCCCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000500074788 1091024178 /nfs/dbraw/zinc/02/41/78/1091024178.db2.gz NCNQOOIWYDXSPI-GOSISDBHSA-N 1 0 371.437 4.442 20 5 FIBDRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500130059 1091055978 /nfs/dbraw/zinc/05/59/78/1091055978.db2.gz CMLYENKFXLYARU-AUUYWEPGSA-N 1 0 371.412 4.146 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)o1 ZINC000500425841 1091504920 /nfs/dbraw/zinc/50/49/20/1091504920.db2.gz FTCKMEDRDSYGQW-LJQANCHMSA-N 1 0 356.422 4.294 20 5 FIBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1nc(-c2ccncc2)cs1 ZINC000124048438 1091663569 /nfs/dbraw/zinc/66/35/69/1091663569.db2.gz BMIYAHHGEUXLIC-YVZNUBBCSA-N 1 0 366.446 4.477 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCOC3(CCSCC3)C1)CCC2 ZINC000278839562 1091770115 /nfs/dbraw/zinc/77/01/15/1091770115.db2.gz UQSPNLDGEPFYJV-MAUKXSAKSA-N 1 0 362.495 4.007 20 5 FIBDRO Cc1ccc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc1[N+](=O)[O-] ZINC000500462092 1092102138 /nfs/dbraw/zinc/10/21/38/1092102138.db2.gz PTRMRDPPTWHOFU-LJQANCHMSA-N 1 0 360.841 4.048 20 5 FIBDRO C[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)[NH+]1CCC(C)CC1 ZINC000520859187 1092318385 /nfs/dbraw/zinc/31/83/85/1092318385.db2.gz YBVORPAVWZRTLC-KRWDZBQOSA-N 1 0 361.489 4.238 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cc1[N+](=O)[O-] ZINC000438906840 1092519932 /nfs/dbraw/zinc/51/99/32/1092519932.db2.gz HHUVTAHAJMVMHT-DBXWQHBBSA-N 1 0 367.449 4.020 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccc(F)cc1Cl ZINC000500864817 1092755471 /nfs/dbraw/zinc/75/54/71/1092755471.db2.gz CZXKVOAYXFFCEP-UHFFFAOYSA-N 1 0 352.793 4.118 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000549830077 1092856564 /nfs/dbraw/zinc/85/65/64/1092856564.db2.gz MUKXBCSGSOLMHG-ZIAGYGMSSA-N 1 0 354.385 4.331 20 5 FIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 ZINC001167911066 1092859170 /nfs/dbraw/zinc/85/91/70/1092859170.db2.gz AIZZDNMLFOMLGL-QGZVFWFLSA-N 1 0 365.433 4.335 20 5 FIBDRO Cc1cc(N2CC[C@@H](n3ncc4ccccc43)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543978347 1092866331 /nfs/dbraw/zinc/86/63/31/1092866331.db2.gz KKARGYWZEANKKI-QGZVFWFLSA-N 1 0 373.416 4.253 20 5 FIBDRO CC[C@](C)(CO)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000236915743 1092926331 /nfs/dbraw/zinc/92/63/31/1092926331.db2.gz OSWXVUYEBSBLNI-GOSISDBHSA-N 1 0 364.829 4.291 20 5 FIBDRO COc1ccc(C[NH2+]CC2(c3ccc(Cl)cc3)CCC2)cc1[N+](=O)[O-] ZINC000521832899 1092933938 /nfs/dbraw/zinc/93/39/38/1092933938.db2.gz MBIANHGRAZAICR-UHFFFAOYSA-N 1 0 360.841 4.468 20 5 FIBDRO C[NH+](C)[C@@H]1CCOc2c(Nc3ccc4ncccc4c3[N+](=O)[O-])cccc21 ZINC000432921540 1092956398 /nfs/dbraw/zinc/95/63/98/1092956398.db2.gz DBYCQNIAUMRFDV-GOSISDBHSA-N 1 0 364.405 4.272 20 5 FIBDRO CCOc1cc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000432929246 1092962635 /nfs/dbraw/zinc/96/26/35/1092962635.db2.gz QGFUHJIMJXWUQF-INIZCTEOSA-N 1 0 357.410 4.122 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)C1CC1 ZINC000443196495 1092984932 /nfs/dbraw/zinc/98/49/32/1092984932.db2.gz VHRYZBPLUFQEQR-ROUUACIJSA-N 1 0 356.397 4.168 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCCO2 ZINC000433129688 1093306588 /nfs/dbraw/zinc/30/65/88/1093306588.db2.gz OQPLOLOXDONILB-SCLBCKFNSA-N 1 0 368.433 4.439 20 5 FIBDRO CC(C)Oc1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000433149662 1093335001 /nfs/dbraw/zinc/33/50/01/1093335001.db2.gz DRLARCPNEDHSTJ-SFHVURJKSA-N 1 0 355.438 4.289 20 5 FIBDRO COCCOc1ccccc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433150305 1093344001 /nfs/dbraw/zinc/34/40/01/1093344001.db2.gz GCDISEPUMNGNSN-IBGZPJMESA-N 1 0 370.449 4.132 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]CCCc2nc3ccccc3[nH]2)c2cc([N+](=O)[O-])ccc21 ZINC000433163149 1093351148 /nfs/dbraw/zinc/35/11/48/1093351148.db2.gz NXNAEUUSHUFLBM-LJQANCHMSA-N 1 0 364.449 4.416 20 5 FIBDRO CN(C)[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000433170083 1093360888 /nfs/dbraw/zinc/36/08/88/1093360888.db2.gz ZTRWHLZLNGQMMW-SJORKVTESA-N 1 0 359.495 4.271 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000433192228 1093394771 /nfs/dbraw/zinc/39/47/71/1093394771.db2.gz KFKALZLFDGVFIS-IURSYISVSA-N 1 0 367.449 4.495 20 5 FIBDRO Cc1ccnc(NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1[N+](=O)[O-] ZINC000522409173 1093507066 /nfs/dbraw/zinc/50/70/66/1093507066.db2.gz AFHVFDZGZRZZNJ-UHFFFAOYSA-N 1 0 354.454 4.142 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000433278241 1093520308 /nfs/dbraw/zinc/52/03/08/1093520308.db2.gz GFAMHZLABDDFFA-INIZCTEOSA-N 1 0 357.429 4.003 20 5 FIBDRO O=C(CC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000433308186 1093574145 /nfs/dbraw/zinc/57/41/45/1093574145.db2.gz XRFTWRGYMXNZQG-OAHLLOKOSA-N 1 0 373.840 4.066 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1)C(C)(C)C ZINC000474283306 1093645509 /nfs/dbraw/zinc/64/55/09/1093645509.db2.gz MREOGOJEGRQCLO-UHFFFAOYSA-N 1 0 355.438 4.142 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000398026249 1093809352 /nfs/dbraw/zinc/80/93/52/1093809352.db2.gz CHTUPVPDYBMGJV-XGHQBKJUSA-N 1 0 353.466 4.156 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000182320388 1093816407 /nfs/dbraw/zinc/81/64/07/1093816407.db2.gz QTPZAVGYMGNOGG-OAHLLOKOSA-N 1 0 351.406 4.452 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000015171821 1093894715 /nfs/dbraw/zinc/89/47/15/1093894715.db2.gz JNMFXDIYJKGRPF-HNNXBMFYSA-N 1 0 369.343 4.456 20 5 FIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000513204585 1094006320 /nfs/dbraw/zinc/00/63/20/1094006320.db2.gz GUMJBBQEDYZIQS-LBPRGKRZSA-N 1 0 360.364 4.233 20 5 FIBDRO Cc1ccc(C[NH2+]CCOc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000513271071 1094042138 /nfs/dbraw/zinc/04/21/38/1094042138.db2.gz FTJXAIAQUJVDMF-UHFFFAOYSA-N 1 0 354.328 4.091 20 5 FIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000182630513 1094140805 /nfs/dbraw/zinc/14/08/05/1094140805.db2.gz KZGUBBUWAOEXJN-CYBMUJFWSA-N 1 0 353.378 4.020 20 5 FIBDRO Cc1ccccc1C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000513492097 1094160864 /nfs/dbraw/zinc/16/08/64/1094160864.db2.gz YEMBWDHCLUSOJJ-UHFFFAOYSA-N 1 0 368.433 4.149 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCC(F)(F)C3)cs2)c1 ZINC000430022646 1094192154 /nfs/dbraw/zinc/19/21/54/1094192154.db2.gz VGTMCZCZHNKUNN-NSHDSACASA-N 1 0 353.394 4.243 20 5 FIBDRO C[C@H]1c2ccccc2CC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000513665364 1094271689 /nfs/dbraw/zinc/27/16/89/1094271689.db2.gz DVTVGPGWDCOBBH-HNNXBMFYSA-N 1 0 362.433 4.115 20 5 FIBDRO CCCn1nccc1C1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000502314474 1095364494 /nfs/dbraw/zinc/36/44/94/1095364494.db2.gz UKHKDGFTHBUALV-VKAVYKQESA-N 1 0 368.481 4.484 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](c2cncc(F)c2)C2CC2)cc(C(F)(F)F)c1 ZINC000281577643 1095656382 /nfs/dbraw/zinc/65/63/82/1095656382.db2.gz KUUXEFCQRFHMKE-INIZCTEOSA-N 1 0 369.318 4.389 20 5 FIBDRO COc1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)ccn1 ZINC000237262944 1095921285 /nfs/dbraw/zinc/92/12/85/1095921285.db2.gz PGHCGEJRGAZDEF-UHFFFAOYSA-N 1 0 373.796 4.202 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCC12CCOCC2 ZINC000503919171 1096586473 /nfs/dbraw/zinc/58/64/73/1096586473.db2.gz FGMLURLYFLBKNA-HQRMLTQVSA-N 1 0 358.482 4.245 20 5 FIBDRO CC[NH+](CC)[C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000504223658 1096719237 /nfs/dbraw/zinc/71/92/37/1096719237.db2.gz VVVCWOMITOUSPM-QGZVFWFLSA-N 1 0 352.394 4.076 20 5 FIBDRO CC[C@H](C)[C@H](C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000532966466 1098635129 /nfs/dbraw/zinc/63/51/29/1098635129.db2.gz JHGWGKNAFOMNCU-RYUDHWBXSA-N 1 0 353.850 4.086 20 5 FIBDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000533045255 1098710499 /nfs/dbraw/zinc/71/04/99/1098710499.db2.gz AHDKRZUZPVVBBD-KUHUBIRLSA-N 1 0 353.422 4.053 20 5 FIBDRO CC[NH+](CC)Cc1cccc(CNc2c3c(ccc2[N+](=O)[O-])NCC3)c1 ZINC000436318003 1098924561 /nfs/dbraw/zinc/92/45/61/1098924561.db2.gz AUKJMSPKFFGLQY-UHFFFAOYSA-N 1 0 354.454 4.017 20 5 FIBDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000533438754 1099042939 /nfs/dbraw/zinc/04/29/39/1099042939.db2.gz OYDKAOHLGOBCOR-IAGOWNOFSA-N 1 0 367.449 4.028 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]C2(c3ccccc3)CCCCC2)c2c(c1)COCO2 ZINC000533526431 1099128815 /nfs/dbraw/zinc/12/88/15/1099128815.db2.gz FSROVNBUUUUHSZ-UHFFFAOYSA-N 1 0 368.433 4.411 20 5 FIBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000516295919 1099341958 /nfs/dbraw/zinc/34/19/58/1099341958.db2.gz ISBQHWCSLDIBBU-UHFFFAOYSA-N 1 0 370.449 4.024 20 5 FIBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1[C@H]1CCCO1 ZINC000516357248 1099407511 /nfs/dbraw/zinc/40/75/11/1099407511.db2.gz TZNNOCNOJBFYSX-RTBURBONSA-N 1 0 356.422 4.244 20 5 FIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCC2(CCCC2)C1 ZINC000615000783 1099500732 /nfs/dbraw/zinc/50/07/32/1099500732.db2.gz UHLVZIKJVMXTGL-AWEZNQCLSA-N 1 0 356.426 4.362 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)C1CC1 ZINC000437106277 1099612526 /nfs/dbraw/zinc/61/25/26/1099612526.db2.gz VHRYZBPLUFQEQR-QZTJIDSGSA-N 1 0 356.397 4.168 20 5 FIBDRO CCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000517124074 1100092664 /nfs/dbraw/zinc/09/26/64/1100092664.db2.gz MAIRGSJOPZZJPG-UWJYYQICSA-N 1 0 353.466 4.252 20 5 FIBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](CCO)c1ccccc1 ZINC000536669658 1100154292 /nfs/dbraw/zinc/15/42/92/1100154292.db2.gz XOPFRXHPIUIWFL-FQEVSTJZSA-N 1 0 366.417 4.410 20 5 FIBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000536674197 1100161846 /nfs/dbraw/zinc/16/18/46/1100161846.db2.gz PGEHWOVNKTVYIK-HNNXBMFYSA-N 1 0 356.422 4.167 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459508134 1100264275 /nfs/dbraw/zinc/26/42/75/1100264275.db2.gz AVLHLTFYJSDSIR-MRXNPFEDSA-N 1 0 352.434 4.220 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CC2CC(F)(F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000425934545 1100314453 /nfs/dbraw/zinc/31/44/53/1100314453.db2.gz CXOXEGGAAYQGMK-QGZVFWFLSA-N 1 0 350.365 4.475 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)c1c(C)noc1C ZINC000536832018 1100343415 /nfs/dbraw/zinc/34/34/15/1100343415.db2.gz KHPPMLULOYDMAK-SWLSCSKDSA-N 1 0 363.483 4.464 20 5 FIBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000536851377 1100365478 /nfs/dbraw/zinc/36/54/78/1100365478.db2.gz JZZVCDQROKLSHR-SIFCLUCFSA-N 1 0 360.429 4.421 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000536866245 1100383303 /nfs/dbraw/zinc/38/33/03/1100383303.db2.gz ZVUGNVLEIZLRBL-LBPRGKRZSA-N 1 0 350.365 4.165 20 5 FIBDRO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536868970 1100387990 /nfs/dbraw/zinc/38/79/90/1100387990.db2.gz JJKHAVUJBMZEDP-IYXRBSQSSA-N 1 0 373.478 4.018 20 5 FIBDRO COc1ccc(C[NH+]2CCC(OC3CCC(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000517468309 1100408262 /nfs/dbraw/zinc/40/82/62/1100408262.db2.gz GRLXLRUABVBVKO-UHFFFAOYSA-N 1 0 362.470 4.163 20 5 FIBDRO CCC[C@@H]([NH2+]CCc1cc(F)cc2c1OCOC2)c1cccc([N+](=O)[O-])c1 ZINC000120709482 1100590400 /nfs/dbraw/zinc/59/04/00/1100590400.db2.gz LNGVIJBMFXLALN-LJQANCHMSA-N 1 0 374.412 4.274 20 5 FIBDRO CCC[C@H]([NH2+]CCc1cc(F)cc2c1OCOC2)c1cccc([N+](=O)[O-])c1 ZINC000120709303 1100592521 /nfs/dbraw/zinc/59/25/21/1100592521.db2.gz LNGVIJBMFXLALN-IBGZPJMESA-N 1 0 374.412 4.274 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000517817569 1100687029 /nfs/dbraw/zinc/68/70/29/1100687029.db2.gz NCHDXBZDTJFBOY-UHFFFAOYSA-N 1 0 370.449 4.154 20 5 FIBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@H]1CCCO1 ZINC000506425092 1100997601 /nfs/dbraw/zinc/99/76/01/1100997601.db2.gz ZVWNXQAYQIPUKC-CYBMUJFWSA-N 1 0 350.802 4.119 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000426320682 1101249877 /nfs/dbraw/zinc/24/98/77/1101249877.db2.gz YLZHZWDSFLZSRR-HOCLYGCPSA-N 1 0 373.428 4.062 20 5 FIBDRO Cc1ccccc1[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[C@@H](C)C1 ZINC000537058074 1101414761 /nfs/dbraw/zinc/41/47/61/1101414761.db2.gz HTTVXVYLFWMDOG-SIXWZSSISA-N 1 0 356.470 4.294 20 5 FIBDRO CC[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1 ZINC000537052134 1101428358 /nfs/dbraw/zinc/42/83/58/1101428358.db2.gz SWKBTCBFDGTFAD-KRWDZBQOSA-N 1 0 355.438 4.281 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cc2cccc(F)c2o1 ZINC000475716525 1101468645 /nfs/dbraw/zinc/46/86/45/1101468645.db2.gz PZQKOZIEMZVWSR-NEPJUHHUSA-N 1 0 371.368 4.158 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000426404792 1101511925 /nfs/dbraw/zinc/51/19/25/1101511925.db2.gz OKARBDOHMZZDSL-UHFFFAOYSA-N 1 0 358.413 4.224 20 5 FIBDRO Cc1cc([C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)ccc1F ZINC000537219306 1101553122 /nfs/dbraw/zinc/55/31/22/1101553122.db2.gz JCKYXHNBWAEBMI-LJQANCHMSA-N 1 0 372.396 4.150 20 5 FIBDRO CC(=O)c1ccc2c(c1)CCN(Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000543893274 1101667472 /nfs/dbraw/zinc/66/74/72/1101667472.db2.gz KTSNMTHMNIHVTC-UHFFFAOYSA-N 1 0 358.825 4.052 20 5 FIBDRO CC(C)(CCCO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537354051 1101687266 /nfs/dbraw/zinc/68/72/66/1101687266.db2.gz ZUOWOLJDAJJFIW-UHFFFAOYSA-N 1 0 366.845 4.397 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000026226310 1101948856 /nfs/dbraw/zinc/94/88/56/1101948856.db2.gz PSQASYXYVNZMRK-UHFFFAOYSA-N 1 0 361.829 4.017 20 5 FIBDRO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000532398750 1101949536 /nfs/dbraw/zinc/94/95/36/1101949536.db2.gz UWCJAMALHOJMBG-FQEVSTJZSA-N 1 0 368.433 4.415 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC23CC(O)C3)ccc1Oc1ccccc1Cl ZINC000897853573 1102144089 /nfs/dbraw/zinc/14/40/89/1102144089.db2.gz VWCYTECYEUOYGJ-SZSCYUJKSA-N 1 0 374.824 4.044 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(Cl)s1 ZINC000026250767 1102303860 /nfs/dbraw/zinc/30/38/60/1102303860.db2.gz CBJKFRKXPRKLCH-UHFFFAOYSA-N 1 0 367.858 4.079 20 5 FIBDRO Cc1nc2ccccc2n1CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532460351 1102355498 /nfs/dbraw/zinc/35/54/98/1102355498.db2.gz HNRDICQZHDMIRT-OAHLLOKOSA-N 1 0 352.438 4.302 20 5 FIBDRO COc1ccc([C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000532460828 1102368340 /nfs/dbraw/zinc/36/83/40/1102368340.db2.gz KNTXMLHGMVVCNW-IERDGZPVSA-N 1 0 369.465 4.091 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CCc2cc(C(F)(F)F)ccn2)cc1[N+](=O)[O-] ZINC000550887388 1102660184 /nfs/dbraw/zinc/66/01/84/1102660184.db2.gz VKHGITPAQQSLSA-LBPRGKRZSA-N 1 0 353.344 4.210 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000537651175 1102713647 /nfs/dbraw/zinc/71/36/47/1102713647.db2.gz ZJGWZLNDHCEWHC-IUYMFKLXSA-N 1 0 352.434 4.147 20 5 FIBDRO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 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Cc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000449171468 1109987822 /nfs/dbraw/zinc/98/78/22/1109987822.db2.gz KPRAKFUCRXTEJZ-AWEZNQCLSA-N 1 0 368.412 4.294 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000449294278 1110025700 /nfs/dbraw/zinc/02/57/00/1110025700.db2.gz LAKLHAZDDCNBBB-QGZVFWFLSA-N 1 0 353.466 4.032 20 5 FIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c(C)c1OC ZINC000449331138 1110028677 /nfs/dbraw/zinc/02/86/77/1110028677.db2.gz NCKZEHWWFMVRQY-ZFWWWQNUSA-N 1 0 358.438 4.202 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nccn1-c1ccccc1 ZINC000449334346 1110039919 /nfs/dbraw/zinc/03/99/19/1110039919.db2.gz XALLESCAYXGMJI-CVEARBPZSA-N 1 0 350.422 4.062 20 5 FIBDRO C[C@H](CCCO)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000449406610 1110060310 /nfs/dbraw/zinc/06/03/10/1110060310.db2.gz BLARZTVJOIMJIB-CQSZACIVSA-N 1 0 362.401 4.024 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCOC4(CCC4)C3)cs2)c1 ZINC000449476483 1110084731 /nfs/dbraw/zinc/08/47/31/1110084731.db2.gz NDYNXXHXBIQFHD-AWEZNQCLSA-N 1 0 373.478 4.157 20 5 FIBDRO CCCC[N@H+](C)CC1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450265047 1110272871 /nfs/dbraw/zinc/27/28/71/1110272871.db2.gz HXMPQQZSKHDRHR-UHFFFAOYSA-N 1 0 356.470 4.091 20 5 FIBDRO C[C@H](Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450433748 1110296997 /nfs/dbraw/zinc/29/69/97/1110296997.db2.gz LLHLLSGIKOVXPX-LSDHHAIUSA-N 1 0 354.454 4.208 20 5 FIBDRO CC[C@@H](NCc1ccn(CCc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000450677875 1110332154 /nfs/dbraw/zinc/33/21/54/1110332154.db2.gz HBNADMSLACAIEL-OAQYLSRUSA-N 1 0 364.449 4.275 20 5 FIBDRO Cn1cc(C[NH2+][C@H]2C[C@@H]2C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538602890 1111209661 /nfs/dbraw/zinc/20/96/61/1111209661.db2.gz NKUKBYQBSKBHCH-MOPGFXCFSA-N 1 0 354.454 4.054 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@H]([NH+]4CCCC4)CC3)o2)cc1 ZINC000538719415 1111260406 /nfs/dbraw/zinc/26/04/06/1111260406.db2.gz IQLOTRRSRLNKPS-GOSISDBHSA-N 1 0 369.465 4.305 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000539055883 1111402931 /nfs/dbraw/zinc/40/29/31/1111402931.db2.gz MSUJWXJGRFUFCU-KLHJMIIUSA-N 1 0 369.465 4.090 20 5 FIBDRO C[C@H](CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)[S@](C)=O ZINC000539061478 1111407465 /nfs/dbraw/zinc/40/74/65/1111407465.db2.gz ZKQTUPDREASVAN-VXMWWYGOSA-N 1 0 366.508 4.131 20 5 FIBDRO C[C@H]([NH2+]CCc1nc(-c2ccncc2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000539075088 1111421469 /nfs/dbraw/zinc/42/14/69/1111421469.db2.gz ULDGEOSWZLGJSX-ZDUSSCGKSA-N 1 0 354.435 4.007 20 5 FIBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000539246703 1111484738 /nfs/dbraw/zinc/48/47/38/1111484738.db2.gz PAELKHMMWBLDRX-IUODEOHRSA-N 1 0 361.829 4.316 20 5 FIBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000539246702 1111484895 /nfs/dbraw/zinc/48/48/95/1111484895.db2.gz PAELKHMMWBLDRX-DOMZBBRYSA-N 1 0 361.829 4.316 20 5 FIBDRO COc1cc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000539253024 1111487064 /nfs/dbraw/zinc/48/70/64/1111487064.db2.gz QVOJYDMMGZZUCG-OAHLLOKOSA-N 1 0 374.437 4.120 20 5 FIBDRO CC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000539315370 1111509299 /nfs/dbraw/zinc/50/92/99/1111509299.db2.gz IDHIWJYPFRKKTK-INIZCTEOSA-N 1 0 366.364 4.001 20 5 FIBDRO CC(C)Sc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000539305433 1111514131 /nfs/dbraw/zinc/51/41/31/1111514131.db2.gz SHFVEBWMEVHGAX-AWEZNQCLSA-N 1 0 373.478 4.385 20 5 FIBDRO C[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000552048379 1111557535 /nfs/dbraw/zinc/55/75/35/1111557535.db2.gz QUHUAPBTEMADKD-BEFAXECRSA-N 1 0 356.470 4.224 20 5 FIBDRO Cn1ccnc1[C@@H]([NH2+]CC1CCC(C)(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552063918 1111563489 /nfs/dbraw/zinc/56/34/89/1111563489.db2.gz RKEQCFUQZMUWKK-SFHVURJKSA-N 1 0 356.470 4.224 20 5 FIBDRO C[C@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000477911509 1111596552 /nfs/dbraw/zinc/59/65/52/1111596552.db2.gz HYTFIEVTONWYOF-LBPRGKRZSA-N 1 0 369.343 4.128 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](CO)CC2)ccc1Oc1ccc(F)cc1 ZINC000552422881 1111708082 /nfs/dbraw/zinc/70/80/82/1111708082.db2.gz HCVCAMWBTHURID-HNNXBMFYSA-N 1 0 374.412 4.121 20 5 FIBDRO CC(C)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccco1 ZINC000552531850 1111740678 /nfs/dbraw/zinc/74/06/78/1111740678.db2.gz VMSCXCQTZPOZIM-UHFFFAOYSA-N 1 0 355.394 4.296 20 5 FIBDRO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C[C@H]1CCCCO1 ZINC000553079962 1111903872 /nfs/dbraw/zinc/90/38/72/1111903872.db2.gz MZHKMFUTBAQXMF-GOSISDBHSA-N 1 0 350.459 4.163 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)c3ccc(F)cc3)s2)cc1 ZINC000553464890 1111983525 /nfs/dbraw/zinc/98/35/25/1111983525.db2.gz QZUWBTNTIHCRDT-SFHVURJKSA-N 1 0 372.421 4.286 20 5 FIBDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000479293669 1111986761 /nfs/dbraw/zinc/98/67/61/1111986761.db2.gz DETJTGYMPPYRRD-ZDUSSCGKSA-N 1 0 363.255 4.121 20 5 FIBDRO COc1cc2c(cc1OC)[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000479384459 1112006102 /nfs/dbraw/zinc/00/61/02/1112006102.db2.gz DDLKPNQZSXHGSA-SUMWQHHRSA-N 1 0 356.422 4.259 20 5 FIBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000479364469 1112007187 /nfs/dbraw/zinc/00/71/87/1112007187.db2.gz IQILOEOITUWHEM-HNNXBMFYSA-N 1 0 371.485 4.106 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CC2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000479465079 1112032545 /nfs/dbraw/zinc/03/25/45/1112032545.db2.gz JPYOAKTTZMHBFL-KRWDZBQOSA-N 1 0 353.466 4.470 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)c1cccc(OC(C)C)c1 ZINC000128362870 1112244905 /nfs/dbraw/zinc/24/49/05/1112244905.db2.gz RBLAEXQRBQSLPJ-QRWLVFNGSA-N 1 0 358.438 4.075 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)c1cccc(OC(C)C)c1 ZINC000128363102 1112261526 /nfs/dbraw/zinc/26/15/26/1112261526.db2.gz RBLAEXQRBQSLPJ-YWZLYKJASA-N 1 0 358.438 4.075 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCCC2)cc1[N+](=O)[O-] ZINC000480088177 1112273011 /nfs/dbraw/zinc/27/30/11/1112273011.db2.gz CXIBUKDKOYMEFW-LPHOPBHVSA-N 1 0 357.454 4.374 20 5 FIBDRO COc1ccccc1O[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000554873667 1112539957 /nfs/dbraw/zinc/53/99/57/1112539957.db2.gz PDEDTLRHGODNGH-AHKGRUIUSA-N 1 0 368.433 4.160 20 5 FIBDRO COc1ncccc1CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000554982153 1112607351 /nfs/dbraw/zinc/60/73/51/1112607351.db2.gz NKSKDIBZINJAMO-UHFFFAOYSA-N 1 0 369.446 4.059 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000555422399 1112828806 /nfs/dbraw/zinc/82/88/06/1112828806.db2.gz YOUDTCLUXSZFDS-MRXNPFEDSA-N 1 0 358.360 4.005 20 5 FIBDRO Cc1ccc(C(=O)C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000555432152 1112840620 /nfs/dbraw/zinc/84/06/20/1112840620.db2.gz HUJILYNEJDVEOR-UHFFFAOYSA-N 1 0 366.461 4.349 20 5 FIBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555524412 1112910632 /nfs/dbraw/zinc/91/06/32/1112910632.db2.gz KSXOGQYHBLWEMN-OCCSQVGLSA-N 1 0 360.376 4.129 20 5 FIBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555524408 1112910756 /nfs/dbraw/zinc/91/07/56/1112910756.db2.gz KSXOGQYHBLWEMN-GXTWGEPZSA-N 1 0 360.376 4.129 20 5 FIBDRO COc1cc(C[NH2+]CC[C@@H](C)F)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000555616078 1112949671 /nfs/dbraw/zinc/94/96/71/1112949671.db2.gz MIBKAKYRCMUXSC-CQSZACIVSA-N 1 0 362.401 4.020 20 5 FIBDRO CCOc1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)ccc1OC ZINC000192865319 1113019720 /nfs/dbraw/zinc/01/97/20/1113019720.db2.gz RMWVMTOVJWCQCY-SFHVURJKSA-N 1 0 356.422 4.169 20 5 FIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1OC(F)F ZINC000482506504 1113280110 /nfs/dbraw/zinc/28/01/10/1113280110.db2.gz ZOARGUFIBUIQJS-NSHDSACASA-N 1 0 354.328 4.229 20 5 FIBDRO CCCCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000160109057 1113301442 /nfs/dbraw/zinc/30/14/42/1113301442.db2.gz SOKUYAHSZCMVMR-INIZCTEOSA-N 1 0 369.465 4.284 20 5 FIBDRO CC[C@H]([NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000249190416 1113388717 /nfs/dbraw/zinc/38/87/17/1113388717.db2.gz NPUJRXWFQFKEPY-VNQPRFMTSA-N 1 0 360.376 4.119 20 5 FIBDRO C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000589311269 1113869641 /nfs/dbraw/zinc/86/96/41/1113869641.db2.gz CIKXFLHHWVHCFW-OWBHPGMISA-N 1 0 362.376 4.432 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cc4ccc(F)cc4[nH]3)CC2)cc1 ZINC000488318306 1113907091 /nfs/dbraw/zinc/90/70/91/1113907091.db2.gz AHYNOMKRIPXNQI-UHFFFAOYSA-N 1 0 369.396 4.259 20 5 FIBDRO Cc1ccccc1[C@@H](C(C)C)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000488693560 1113977194 /nfs/dbraw/zinc/97/71/94/1113977194.db2.gz GKIZJDKMMSDLTJ-OAQYLSRUSA-N 1 0 369.465 4.479 20 5 FIBDRO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCc2ccccc21 ZINC000911595257 1114001905 /nfs/dbraw/zinc/00/19/05/1114001905.db2.gz BEQRUIIMWDSVJU-UHFFFAOYSA-N 1 0 351.406 4.072 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000489253333 1114078186 /nfs/dbraw/zinc/07/81/86/1114078186.db2.gz GPEAHWSVULKFPB-CQSZACIVSA-N 1 0 358.442 4.350 20 5 FIBDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)cc1 ZINC000490039212 1114206573 /nfs/dbraw/zinc/20/65/73/1114206573.db2.gz JBTIZPKKAHKUIU-SJLPKXTDSA-N 1 0 367.449 4.028 20 5 FIBDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000490083928 1114216363 /nfs/dbraw/zinc/21/63/63/1114216363.db2.gz VECSPTUTRZSQDP-NVXWUHKLSA-N 1 0 368.433 4.148 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(N3CCCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000151047226 1114281186 /nfs/dbraw/zinc/28/11/86/1114281186.db2.gz TWPQQTLFPVBNBH-MRXNPFEDSA-N 1 0 367.449 4.271 20 5 FIBDRO CC[NH+](CC)[C@@H](CNc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccsc1 ZINC000029620817 1114340272 /nfs/dbraw/zinc/34/02/72/1114340272.db2.gz ZXVCQKCMVWJDCQ-SFHVURJKSA-N 1 0 361.467 4.354 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000586795567 1114394773 /nfs/dbraw/zinc/39/47/73/1114394773.db2.gz RIUVPISHRSBBGK-CHWSQXEVSA-N 1 0 354.410 4.282 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000571178373 1114437601 /nfs/dbraw/zinc/43/76/01/1114437601.db2.gz BMDSKMKVGFZOTF-LKUPVBHCSA-N 1 0 352.434 4.340 20 5 FIBDRO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000056170597 1114640234 /nfs/dbraw/zinc/64/02/34/1114640234.db2.gz YDHBTFZHDKKGLO-GJZGRUSLSA-N 1 0 371.437 4.060 20 5 FIBDRO CCN(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000249718937 1114658966 /nfs/dbraw/zinc/65/89/66/1114658966.db2.gz YBBUMHJIRJZELJ-XMSQKQJNSA-N 1 0 367.493 4.295 20 5 FIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCC(F)(F)CC1 ZINC000588959534 1114681273 /nfs/dbraw/zinc/68/12/73/1114681273.db2.gz GAXAGOBHUODNON-GFCCVEGCSA-N 1 0 351.397 4.422 20 5 FIBDRO C[NH+](C)[C@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000589103480 1114696941 /nfs/dbraw/zinc/69/69/41/1114696941.db2.gz MCJXGCWTJUDSLS-MRXNPFEDSA-N 1 0 353.344 4.386 20 5 FIBDRO Cn1ncc2ccc(C[NH2+][C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)cc21 ZINC000589727751 1114834691 /nfs/dbraw/zinc/83/46/91/1114834691.db2.gz CETPIVGLARORRC-JOCHJYFZSA-N 1 0 372.428 4.361 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C2CCC(O)(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000760904479 1115168262 /nfs/dbraw/zinc/16/82/62/1115168262.db2.gz BTKXRQFHCXOVSY-YQHFOJDRSA-N 1 0 354.450 4.384 20 5 FIBDRO Cc1cc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c(C)s1 ZINC000129746612 1115197684 /nfs/dbraw/zinc/19/76/84/1115197684.db2.gz DAHHUOFXVREADE-LLVKDONJSA-N 1 0 365.430 4.092 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+]C2(c3ccccc3F)CCC2)cccc1[N+](=O)[O-] ZINC000592144555 1115208201 /nfs/dbraw/zinc/20/82/01/1115208201.db2.gz MZNRFPDEKCBPJY-UHFFFAOYSA-N 1 0 371.412 4.040 20 5 FIBDRO CC(C)C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccncc1 ZINC000592390293 1115225620 /nfs/dbraw/zinc/22/56/20/1115225620.db2.gz PCAJVNAMMVRJOL-HXUWFJFHSA-N 1 0 352.438 4.391 20 5 FIBDRO CC(=O)Nc1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000592984388 1115278091 /nfs/dbraw/zinc/27/80/91/1115278091.db2.gz BHJPFOHITLUKCM-UHFFFAOYSA-N 1 0 353.422 4.206 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](c2ccccc2)C2CC2)n1 ZINC000574059882 1115288550 /nfs/dbraw/zinc/28/85/50/1115288550.db2.gz XIJKOYVLZNHJEZ-IPMKNSEASA-N 1 0 354.454 4.058 20 5 FIBDRO CC1(C)C[C@@H]([NH2+][C@H](CCO)c2ccccc2F)c2cc([N+](=O)[O-])ccc21 ZINC000592401781 1115303835 /nfs/dbraw/zinc/30/38/35/1115303835.db2.gz COWQLRYRFVWNFV-RTBURBONSA-N 1 0 358.413 4.170 20 5 FIBDRO COCCOc1cc(C)ccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000167638595 1115309578 /nfs/dbraw/zinc/30/95/78/1115309578.db2.gz LBIYIZPKWAREHE-MRXNPFEDSA-N 1 0 358.438 4.088 20 5 FIBDRO CC[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCCO1 ZINC000594517982 1115458181 /nfs/dbraw/zinc/45/81/81/1115458181.db2.gz FPOLYBFCYTYMEI-DLBZAZTESA-N 1 0 361.467 4.156 20 5 FIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000594516761 1115458707 /nfs/dbraw/zinc/45/87/07/1115458707.db2.gz FLQPOYXWTOGENS-CHWSQXEVSA-N 1 0 369.412 4.116 20 5 FIBDRO COc1cccc2c1OCC[C@H]2[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594517418 1115458823 /nfs/dbraw/zinc/45/88/23/1115458823.db2.gz BWYQHHVSMRVCDS-MSOLQXFVSA-N 1 0 368.433 4.038 20 5 FIBDRO COc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000594518526 1115458829 /nfs/dbraw/zinc/45/88/29/1115458829.db2.gz HHQRMGZFQMDXFI-RBUKOAKNSA-N 1 0 368.433 4.484 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](C)c3ccccn3)o2)c([N+](=O)[O-])c1 ZINC000594956010 1115502267 /nfs/dbraw/zinc/50/22/67/1115502267.db2.gz SVABXDHOOPQFKD-AWEZNQCLSA-N 1 0 367.405 4.152 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cc(Br)cs1 ZINC000595012450 1115503615 /nfs/dbraw/zinc/50/36/15/1115503615.db2.gz OIOVSFAUJZKCRR-VIFPVBQESA-N 1 0 371.256 4.278 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000595004493 1115507113 /nfs/dbraw/zinc/50/71/13/1115507113.db2.gz AMIPWAIHGQJJTL-WJPUGNRLSA-N 1 0 370.449 4.422 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000595003881 1115507320 /nfs/dbraw/zinc/50/73/20/1115507320.db2.gz MRNPNNUTUZWSME-UZLBHIALSA-N 1 0 369.465 4.091 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000595004167 1115507402 /nfs/dbraw/zinc/50/74/02/1115507402.db2.gz OHRBRDRMINTWMZ-INIZCTEOSA-N 1 0 369.465 4.050 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000595003880 1115507534 /nfs/dbraw/zinc/50/75/34/1115507534.db2.gz MRNPNNUTUZWSME-OXQOHEQNSA-N 1 0 369.465 4.091 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OC3CC3)c1F)CCC2 ZINC000595067017 1115509395 /nfs/dbraw/zinc/50/93/95/1115509395.db2.gz DRNYMGZDLREPNS-GOSISDBHSA-N 1 0 356.397 4.442 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1ccnc2ccccc12 ZINC000595072588 1115509801 /nfs/dbraw/zinc/50/98/01/1115509801.db2.gz HQOCRXOIHTUDJO-CQSZACIVSA-N 1 0 351.406 4.045 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000595032615 1115510608 /nfs/dbraw/zinc/51/06/08/1115510608.db2.gz OBHSMDTVRCLEKK-GMBSWORKSA-N 1 0 356.422 4.174 20 5 FIBDRO Cc1noc(C[NH2+][C@@H](C)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC000595426648 1115535445 /nfs/dbraw/zinc/53/54/45/1115535445.db2.gz PFMAYAXZWBCLQK-AWEZNQCLSA-N 1 0 351.406 4.201 20 5 FIBDRO Cc1noc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000595451054 1115537389 /nfs/dbraw/zinc/53/73/89/1115537389.db2.gz QSJIMUTWALTKMH-OCCSQVGLSA-N 1 0 369.343 4.336 20 5 FIBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000593016391 1115537407 /nfs/dbraw/zinc/53/74/07/1115537407.db2.gz OKKJIDYUCZDQBS-IBGZPJMESA-N 1 0 372.396 4.152 20 5 FIBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)c1 ZINC000593020330 1115538478 /nfs/dbraw/zinc/53/84/78/1115538478.db2.gz HGLYQQXYKHFACW-IBGZPJMESA-N 1 0 372.396 4.070 20 5 FIBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)c2ccccc2OC(C)C)c1 ZINC000593021850 1115539344 /nfs/dbraw/zinc/53/93/44/1115539344.db2.gz YWAHBAKLNZQKCG-CQSZACIVSA-N 1 0 372.421 4.019 20 5 FIBDRO O=[N+]([O-])c1cc(CN(Cc2ccccc2F)CC2CC2)c2c(c1)COCO2 ZINC000595766762 1115559380 /nfs/dbraw/zinc/55/93/80/1115559380.db2.gz JMWOXDOJFZALIN-UHFFFAOYSA-N 1 0 372.396 4.013 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)C1CCC(F)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595821138 1115562907 /nfs/dbraw/zinc/56/29/07/1115562907.db2.gz XBANZPIAGKUOKX-ZSVAQUKISA-N 1 0 371.840 4.082 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000595785780 1115563466 /nfs/dbraw/zinc/56/34/66/1115563466.db2.gz GOEDNUXTPJCPJZ-DYVFJYSZSA-N 1 0 372.387 4.395 20 5 FIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](CCC1CC1)CC1CC1 ZINC000595871426 1115566945 /nfs/dbraw/zinc/56/69/45/1115566945.db2.gz NNFINPSYZLRJGD-CYBMUJFWSA-N 1 0 356.426 4.218 20 5 FIBDRO Cc1noc(CNc2ccccc2C[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000596029512 1115570157 /nfs/dbraw/zinc/57/01/57/1115570157.db2.gz XAMSKKIBLRYWFD-UHFFFAOYSA-N 1 0 358.442 4.268 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000597207317 1115647871 /nfs/dbraw/zinc/64/78/71/1115647871.db2.gz ZWXXEDNJXCJEQG-BSUSYPBHSA-N 1 0 366.461 4.096 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](CO)CC3)o2)c(Cl)c1 ZINC000560627321 1115715494 /nfs/dbraw/zinc/71/54/94/1115715494.db2.gz FVYQIXFASVRDEJ-CYBMUJFWSA-N 1 0 364.829 4.103 20 5 FIBDRO COCCC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000061002873 1115747746 /nfs/dbraw/zinc/74/77/46/1115747746.db2.gz RBJKBALGVNWXDD-UHFFFAOYSA-N 1 0 350.802 4.167 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC000599015956 1115778799 /nfs/dbraw/zinc/77/87/99/1115778799.db2.gz VEQCBUVVMCKANU-MRXNPFEDSA-N 1 0 355.221 4.115 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CC[C@@H]2CCCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000599058150 1115785321 /nfs/dbraw/zinc/78/53/21/1115785321.db2.gz RRBGXWJOXUYUOF-YWZLYKJASA-N 1 0 358.438 4.246 20 5 FIBDRO Cc1ccc(C(C)(C)C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)nc1 ZINC000599071072 1115787033 /nfs/dbraw/zinc/78/70/33/1115787033.db2.gz OZSGUQZYSKDBRK-GOSISDBHSA-N 1 0 353.466 4.187 20 5 FIBDRO C[N@@H+]1CCCC[C@@H](CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000599070736 1115787050 /nfs/dbraw/zinc/78/70/50/1115787050.db2.gz OGHJDWFKUBQJPS-UWJYYQICSA-N 1 0 353.466 4.006 20 5 FIBDRO COc1ccc([C@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c(OC)c1 ZINC000599073788 1115787531 /nfs/dbraw/zinc/78/75/31/1115787531.db2.gz RNQZUFSWVIJGEO-DJJJIMSYSA-N 1 0 356.422 4.340 20 5 FIBDRO O=[N+]([O-])c1ccccc1CNc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000593677558 1115789985 /nfs/dbraw/zinc/78/99/85/1115789985.db2.gz ATBCCWFEOJMHTL-UHFFFAOYSA-N 1 0 357.479 4.395 20 5 FIBDRO C[NH+](C)C[C@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc(Cl)c(Cl)c1 ZINC000599172872 1115797316 /nfs/dbraw/zinc/79/73/16/1115797316.db2.gz VLLWLVCMPQZVPM-AWEZNQCLSA-N 1 0 355.225 4.011 20 5 FIBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3ncccc3[N+](=O)[O-])cc2)C1 ZINC000603862712 1115822944 /nfs/dbraw/zinc/82/29/44/1115822944.db2.gz WNQJNDWEVBGWDX-HOTGVXAUSA-N 1 0 354.454 4.080 20 5 FIBDRO CC1CC[NH+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)CC1 ZINC000603910340 1115829632 /nfs/dbraw/zinc/82/96/32/1115829632.db2.gz PYFWSDFWCNFIRC-UHFFFAOYSA-N 1 0 359.451 4.141 20 5 FIBDRO CCC[C@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000604044305 1115845674 /nfs/dbraw/zinc/84/56/74/1115845674.db2.gz GLXDXSSRWYDICJ-FTRWYGJKSA-N 1 0 369.465 4.292 20 5 FIBDRO COc1ccc(C[NH2+]C[C@H](C)C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000604419116 1115864941 /nfs/dbraw/zinc/86/49/41/1115864941.db2.gz KVHUCXVEOOPFQE-HNNXBMFYSA-N 1 0 370.449 4.318 20 5 FIBDRO CCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](CC)c1ccccc1 ZINC000604492852 1115867595 /nfs/dbraw/zinc/86/75/95/1115867595.db2.gz INPJBEVBFZVJKJ-SFHVURJKSA-N 1 0 355.438 4.057 20 5 FIBDRO C[N@@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000604506833 1115868504 /nfs/dbraw/zinc/86/85/04/1115868504.db2.gz PITNSEVEEIEICY-KRWDZBQOSA-N 1 0 365.355 4.107 20 5 FIBDRO CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000608788721 1116130008 /nfs/dbraw/zinc/13/00/08/1116130008.db2.gz QSCZSXQUDNSWHA-LAUBAEHRSA-N 1 0 353.466 4.252 20 5 FIBDRO NC(=O)COc1cccc(C[NH2+]Cc2c3ccccc3cc3ccccc32)c1 ZINC000174604229 1116142988 /nfs/dbraw/zinc/14/29/88/1116142988.db2.gz BGZTZYOEGUSBBA-UHFFFAOYSA-N 1 0 370.452 4.147 20 5 FIBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)no1 ZINC000089600486 1116157224 /nfs/dbraw/zinc/15/72/24/1116157224.db2.gz LDFNFBFXURZTAO-KGLIPLIRSA-N 1 0 352.394 4.099 20 5 FIBDRO CC[C@H](CCO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000152655042 1116159218 /nfs/dbraw/zinc/15/92/18/1116159218.db2.gz LCNCSYYQVPNXHV-GFCCVEGCSA-N 1 0 352.818 4.006 20 5 FIBDRO COc1cc(NCc2ccccc2C[N@H+](C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000534183451 1116167337 /nfs/dbraw/zinc/16/73/37/1116167337.db2.gz RJXXYOCSSNFZGG-UHFFFAOYSA-N 1 0 361.417 4.195 20 5 FIBDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC12CCCCC2 ZINC000462467635 1116355439 /nfs/dbraw/zinc/35/54/39/1116355439.db2.gz JJVIVCUCKWNHHS-OAHLLOKOSA-N 1 0 370.453 4.437 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-] ZINC000539652174 1116358846 /nfs/dbraw/zinc/35/88/46/1116358846.db2.gz LVQBSYLHQHZIIR-ZDUSSCGKSA-N 1 0 370.405 4.062 20 5 FIBDRO COc1cc(C[NH+]2CCC(OCC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000539808857 1116383242 /nfs/dbraw/zinc/38/32/42/1116383242.db2.gz CJQAOVSJYOQLGF-UHFFFAOYSA-N 1 0 362.470 4.165 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)s2)cc1 ZINC000539891336 1116395845 /nfs/dbraw/zinc/39/58/45/1116395845.db2.gz LMZKIIOOZBJTGN-YJBOKZPZSA-N 1 0 358.463 4.324 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)s2)cc1 ZINC000539891328 1116395888 /nfs/dbraw/zinc/39/58/88/1116395888.db2.gz LMZKIIOOZBJTGN-CRAIPNDOSA-N 1 0 358.463 4.324 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CC[N@H+](CC4CCCC4)C3)o2)cc1 ZINC000462741910 1117740862 /nfs/dbraw/zinc/74/08/62/1117740862.db2.gz VXNGVVVZTCQTCK-SFHVURJKSA-N 1 0 369.465 4.209 20 5 FIBDRO C[C@H](CO)[NH2+]Cc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000462734213 1117741243 /nfs/dbraw/zinc/74/12/43/1117741243.db2.gz IPXQUAFLCCWNAV-CQSZACIVSA-N 1 0 358.438 4.155 20 5 FIBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C12CCC2 ZINC000462754749 1117746616 /nfs/dbraw/zinc/74/66/16/1117746616.db2.gz RBCDUBNWNADIHS-RTBURBONSA-N 1 0 356.422 4.292 20 5 FIBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C12CCC2 ZINC000462762636 1117753608 /nfs/dbraw/zinc/75/36/08/1117753608.db2.gz KQLQNSRIVJQNEB-RTBURBONSA-N 1 0 356.422 4.292 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000540154327 1117908179 /nfs/dbraw/zinc/90/81/79/1117908179.db2.gz YRFBMTOIKXBRFO-HUUCEWRRSA-N 1 0 366.421 4.408 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000540164971 1117917633 /nfs/dbraw/zinc/91/76/33/1117917633.db2.gz PTJIBKYQDRLHGR-LZLYRXPVSA-N 1 0 366.527 4.386 20 5 FIBDRO CCC[C@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1cccc([N+](=O)[O-])c1 ZINC000540183394 1117926253 /nfs/dbraw/zinc/92/62/53/1117926253.db2.gz HMMGYOGVPNJKSF-KRWDZBQOSA-N 1 0 370.428 4.294 20 5 FIBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000443316235 1118001290 /nfs/dbraw/zinc/00/12/90/1118001290.db2.gz VPMAGSUGKTVTJY-SNVBAGLBSA-N 1 0 371.256 4.148 20 5 FIBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(C)cc1 ZINC000540359430 1118013002 /nfs/dbraw/zinc/01/30/02/1118013002.db2.gz BHVREBQGPOGQST-GOSISDBHSA-N 1 0 355.438 4.281 20 5 FIBDRO Cc1cc(C)cc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000540407129 1118036363 /nfs/dbraw/zinc/03/63/63/1118036363.db2.gz QBDWNNUFTOLHMO-MRXNPFEDSA-N 1 0 355.438 4.199 20 5 FIBDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000540522498 1118106599 /nfs/dbraw/zinc/10/65/99/1118106599.db2.gz SXUQKVJBFSSEMJ-YFROIQMUSA-N 1 0 373.840 4.174 20 5 FIBDRO C[C@H](CCO)C1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000540609281 1118148684 /nfs/dbraw/zinc/14/86/84/1118148684.db2.gz ZZKROTPOFGZTBP-ZIFCJYIRSA-N 1 0 360.498 4.084 20 5 FIBDRO C[C@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC[N@@H+]1C ZINC000540610970 1118150071 /nfs/dbraw/zinc/15/00/71/1118150071.db2.gz YVKWQWNKCHLRIJ-QWHCGFSZSA-N 1 0 363.845 4.081 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCc2nccs2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541544967 1118550134 /nfs/dbraw/zinc/55/01/34/1118550134.db2.gz BIBNDLYYKQLJSY-GOSISDBHSA-N 1 0 357.435 4.128 20 5 FIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](CSc3ccccc3)C2)c1 ZINC000464757329 1118682540 /nfs/dbraw/zinc/68/25/40/1118682540.db2.gz MENHWZHVBWCCRJ-INIZCTEOSA-N 1 0 358.463 4.088 20 5 FIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464761336 1118684309 /nfs/dbraw/zinc/68/43/09/1118684309.db2.gz NBULVMKXUDDDMH-MRXNPFEDSA-N 1 0 358.463 4.088 20 5 FIBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000464780446 1118692081 /nfs/dbraw/zinc/69/20/81/1118692081.db2.gz SUFHBRFYLZMNSO-RDJZCZTQSA-N 1 0 352.500 4.488 20 5 FIBDRO C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464783561 1118693379 /nfs/dbraw/zinc/69/33/79/1118693379.db2.gz MGQNPPYUWMBDDI-JXFKEZNVSA-N 1 0 362.470 4.033 20 5 FIBDRO Cc1cccc(C)c1NC(=O)CCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271813392 1118923992 /nfs/dbraw/zinc/92/39/92/1118923992.db2.gz YVFPWIIOSRFYQA-MRXNPFEDSA-N 1 0 355.438 4.281 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000549924936 1118974017 /nfs/dbraw/zinc/97/40/17/1118974017.db2.gz VDYPOLNKHISONK-UHFFFAOYSA-N 1 0 372.494 4.060 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000151896632 1119000388 /nfs/dbraw/zinc/00/03/88/1119000388.db2.gz BLRPLKQDWNBUEF-WMZOPIPTSA-N 1 0 374.437 4.063 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CCCc3sc(Cl)cc32)cc1[N+](=O)[O-] ZINC000492331791 1119071329 /nfs/dbraw/zinc/07/13/29/1119071329.db2.gz FKDJECVNFPZSEC-LBPRGKRZSA-N 1 0 352.843 4.486 20 5 FIBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174568215 1119133482 /nfs/dbraw/zinc/13/34/82/1119133482.db2.gz QLWDZNJVUIEGRJ-SFHVURJKSA-N 1 0 373.500 4.336 20 5 FIBDRO COc1cc(C[NH2+][C@@H](c2ccc(F)cc2F)C(C)C)ccc1[N+](=O)[O-] ZINC000492781080 1119186727 /nfs/dbraw/zinc/18/67/27/1119186727.db2.gz AGINLVDITUBAQI-GOSISDBHSA-N 1 0 350.365 4.369 20 5 FIBDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)cc1OC ZINC000493007620 1119242221 /nfs/dbraw/zinc/24/22/21/1119242221.db2.gz ICFLIKMULFGYDS-CQSZACIVSA-N 1 0 374.437 4.252 20 5 FIBDRO C[C@H](COc1ccc(F)cc1F)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761521457 1119409235 /nfs/dbraw/zinc/40/92/35/1119409235.db2.gz HHFBXEPTMDFHND-SNVBAGLBSA-N 1 0 356.756 4.084 20 5 FIBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CN1Cc1ccccc1 ZINC000761526500 1119409769 /nfs/dbraw/zinc/40/97/69/1119409769.db2.gz FDENJPUGQSEMJT-RHSMWYFYSA-N 1 0 359.857 4.001 20 5 FIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761526585 1119409948 /nfs/dbraw/zinc/40/99/48/1119409948.db2.gz OWFKQDGSUPXMCJ-KXBFYZLASA-N 1 0 373.884 4.248 20 5 FIBDRO O=[N+]([O-])c1ccc(CNc2cccc(CC[NH+]3CCCC3)c2)cc1Cl ZINC000761525926 1119411848 /nfs/dbraw/zinc/41/18/48/1119411848.db2.gz FNHNNJRZURHQKO-UHFFFAOYSA-N 1 0 359.857 4.499 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(OC)cc2OC)cc1[N+](=O)[O-] ZINC000152889765 1119537297 /nfs/dbraw/zinc/53/72/97/1119537297.db2.gz JJVWMINKLFBGNW-KBPBESRZSA-N 1 0 374.437 4.423 20 5 FIBDRO Cc1c(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000494450274 1119864774 /nfs/dbraw/zinc/86/47/74/1119864774.db2.gz DARRXSRMMQIDHY-WMZOPIPTSA-N 1 0 364.804 4.316 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc(C(F)(F)F)c1 ZINC000494498586 1119880481 /nfs/dbraw/zinc/88/04/81/1119880481.db2.gz WCUXSFDURWWBNA-XHSDSOJGSA-N 1 0 370.371 4.051 20 5 FIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 ZINC000494514628 1119884655 /nfs/dbraw/zinc/88/46/55/1119884655.db2.gz XCYBYGWCEBCJGR-JTQLQIEISA-N 1 0 368.311 4.193 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191854690 1119998983 /nfs/dbraw/zinc/99/89/83/1119998983.db2.gz GDFMRHLLHODHOY-PBEJRMEISA-N 1 0 354.450 4.283 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000192093724 1120016757 /nfs/dbraw/zinc/01/67/57/1120016757.db2.gz RMCQTRAEWJGZHS-MSOLQXFVSA-N 1 0 364.804 4.050 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)cc1 ZINC000495038912 1120440571 /nfs/dbraw/zinc/44/05/71/1120440571.db2.gz OZXIPBBNSYCPCT-OXJNMPFZSA-N 1 0 358.413 4.034 20 5 FIBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000542555648 1120789415 /nfs/dbraw/zinc/78/94/15/1120789415.db2.gz HVRAGYQLRSZSEE-ZDUSSCGKSA-N 1 0 367.858 4.379 20 5 FIBDRO COc1ccc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000495427160 1120803482 /nfs/dbraw/zinc/80/34/82/1120803482.db2.gz POVFFAFXJJAGIS-GFCCVEGCSA-N 1 0 364.829 4.159 20 5 FIBDRO CCC[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090540034 1120808224 /nfs/dbraw/zinc/80/82/24/1120808224.db2.gz PDIKGHPMVSZVRB-BPQIPLTHSA-N 1 0 350.484 4.080 20 5 FIBDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000130377956 1120933059 /nfs/dbraw/zinc/93/30/59/1120933059.db2.gz CHRKIHIFXUAZCU-NZSAHSFTSA-N 1 0 370.497 4.397 20 5 FIBDRO C[C@H]1C[C@@H]1C[NH+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000915634777 1121012126 /nfs/dbraw/zinc/01/21/26/1121012126.db2.gz NMDBCWKTGTYDET-WMLDXEAASA-N 1 0 355.394 4.161 20 5 FIBDRO C[C@@H]1C[C@@H]1C[NH+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000915634776 1121012358 /nfs/dbraw/zinc/01/23/58/1121012358.db2.gz NMDBCWKTGTYDET-RHSMWYFYSA-N 1 0 355.394 4.161 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@@H](C)N(C)C)cc2[N+](=O)[O-])cc1 ZINC000609223297 1121013588 /nfs/dbraw/zinc/01/35/88/1121013588.db2.gz FCSJNNXISWVNQM-OAHLLOKOSA-N 1 0 359.495 4.094 20 5 FIBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000301544738 1122218420 /nfs/dbraw/zinc/21/84/20/1122218420.db2.gz OPADDSUAMSUSOR-ZFWWWQNUSA-N 1 0 360.845 4.108 20 5 FIBDRO Cc1noc(C)c1[C@H](C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000128299883 1122227571 /nfs/dbraw/zinc/22/75/71/1122227571.db2.gz GDBQWZJFIRWKFP-LLVKDONJSA-N 1 0 372.450 4.216 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000301594002 1122235532 /nfs/dbraw/zinc/23/55/32/1122235532.db2.gz VBCBLQWRWTVBNP-QGZVFWFLSA-N 1 0 369.465 4.215 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000542707417 1122305252 /nfs/dbraw/zinc/30/52/52/1122305252.db2.gz ZSVGPEPOBXOPCW-KRWDZBQOSA-N 1 0 361.239 4.443 20 5 FIBDRO COc1ccc(C[NH2+]CCOc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000609287599 1122824033 /nfs/dbraw/zinc/82/40/33/1122824033.db2.gz BEYKVAQZXQETRG-UHFFFAOYSA-N 1 0 371.220 4.079 20 5 FIBDRO COc1cc(CN(C)[C@]2(c3ccccc3)CCCCC2=O)ccc1[N+](=O)[O-] ZINC000556533614 1122942657 /nfs/dbraw/zinc/94/26/57/1122942657.db2.gz FXPAKXLFXQSOGL-NRFANRHFSA-N 1 0 368.433 4.074 20 5 FIBDRO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556873493 1123156232 /nfs/dbraw/zinc/15/62/32/1123156232.db2.gz YIZAKOAUQLHNEW-SUMDDJOVSA-N 1 0 356.470 4.222 20 5 FIBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(-n2cccn2)cc1 ZINC000064350177 1123705953 /nfs/dbraw/zinc/70/59/53/1123705953.db2.gz RJFJECQQWRNXDF-UHFFFAOYSA-N 1 0 350.422 4.191 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCC4(CCCCC4)C3)n2)c1 ZINC000609541425 1123747740 /nfs/dbraw/zinc/74/77/40/1123747740.db2.gz QNSWKGMTPHVEEA-UHFFFAOYSA-N 1 0 356.426 4.191 20 5 FIBDRO C[NH+](C)C1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000609598509 1123769466 /nfs/dbraw/zinc/76/94/66/1123769466.db2.gz YUZFCFRVTQNREF-UHFFFAOYSA-N 1 0 374.510 4.072 20 5 FIBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609855123 1123860981 /nfs/dbraw/zinc/86/09/81/1123860981.db2.gz GPDBVMSUYGERBB-UHFFFAOYSA-N 1 0 373.840 4.486 20 5 FIBDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237582161 1123989351 /nfs/dbraw/zinc/98/93/51/1123989351.db2.gz FWQYVJQLOSESCI-LBPRGKRZSA-N 1 0 356.451 4.216 20 5 FIBDRO Cc1cccc(C(C)(C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000179584350 1124008976 /nfs/dbraw/zinc/00/89/76/1124008976.db2.gz OSOXWUPFFJLMMZ-UHFFFAOYSA-N 1 0 361.829 4.020 20 5 FIBDRO Cn1cc(C[NH2+][C@@H]2CCCc3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237784865 1124076664 /nfs/dbraw/zinc/07/66/64/1124076664.db2.gz ZKINVVHCUVNJQF-HXUWFJFHSA-N 1 0 362.433 4.163 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273476869 1124148338 /nfs/dbraw/zinc/14/83/38/1124148338.db2.gz KIFYGWKZNQGYCV-FWZQBEMLSA-N 1 0 356.397 4.257 20 5 FIBDRO CC(C)[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccnn1C ZINC000615943507 1124171082 /nfs/dbraw/zinc/17/10/82/1124171082.db2.gz QVHDCXTUBQIMDW-QGZVFWFLSA-N 1 0 368.437 4.118 20 5 FIBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(F)c(Cl)cc1Cl ZINC000765850372 1124205023 /nfs/dbraw/zinc/20/50/23/1124205023.db2.gz XWNRFFHEACJKME-ABKXIKBNSA-N 1 0 373.211 4.425 20 5 FIBDRO C[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC12CCCCC2 ZINC000462467634 1124287746 /nfs/dbraw/zinc/28/77/46/1124287746.db2.gz JJVIVCUCKWNHHS-HNNXBMFYSA-N 1 0 370.453 4.437 20 5 FIBDRO Cc1c([C@H](C)[NH2+]Cc2cn(C)nc2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000180413134 1124322334 /nfs/dbraw/zinc/32/23/34/1124322334.db2.gz KPYFRQDAGLWXDP-HNNXBMFYSA-N 1 0 350.422 4.155 20 5 FIBDRO COc1cc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000123177943 1124402564 /nfs/dbraw/zinc/40/25/64/1124402564.db2.gz GZEATNRGSGPFRH-LBPRGKRZSA-N 1 0 366.364 4.098 20 5 FIBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000180911934 1124474502 /nfs/dbraw/zinc/47/45/02/1124474502.db2.gz VDBJFWOOINAQLI-INIZCTEOSA-N 1 0 363.417 4.386 20 5 FIBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000542927569 1124879882 /nfs/dbraw/zinc/87/98/82/1124879882.db2.gz MALLDPUIWJSNJV-QGZVFWFLSA-N 1 0 373.884 4.202 20 5 FIBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000542929386 1124888898 /nfs/dbraw/zinc/88/88/98/1124888898.db2.gz XXMRHQDFCSIWCI-OIISXLGYSA-N 1 0 352.862 4.274 20 5 FIBDRO CC(=O)Nc1ccc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000181445197 1124933597 /nfs/dbraw/zinc/93/35/97/1124933597.db2.gz DEYCTSLHZAKULN-UHFFFAOYSA-N 1 0 350.378 4.022 20 5 FIBDRO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)(C)c1ccccc1 ZINC000181794699 1125137913 /nfs/dbraw/zinc/13/79/13/1125137913.db2.gz DPSYVSUBVREQBG-CQSZACIVSA-N 1 0 366.421 4.101 20 5 FIBDRO COc1cccc(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000113322861 1125151102 /nfs/dbraw/zinc/15/11/02/1125151102.db2.gz KNLQQRWWVJBZOC-UHFFFAOYSA-N 1 0 369.446 4.059 20 5 FIBDRO Cc1ccc(C[NH2+]CCCc2nc(-c3ccncc3)cs2)cc1[N+](=O)[O-] ZINC000113355928 1125160303 /nfs/dbraw/zinc/16/03/03/1125160303.db2.gz OYZRYGRTQVCMJO-UHFFFAOYSA-N 1 0 368.462 4.144 20 5 FIBDRO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000077429329 1125200234 /nfs/dbraw/zinc/20/02/34/1125200234.db2.gz GPZPLEKUXRRTJK-VXGBXAGGSA-N 1 0 352.818 4.005 20 5 FIBDRO O=[N+]([O-])c1cc(F)c(NC[C@H](c2cccs2)[NH+]2CCCC2)c(F)c1 ZINC000301759710 1125212432 /nfs/dbraw/zinc/21/24/32/1125212432.db2.gz AYGDUWPQIYEIOX-CQSZACIVSA-N 1 0 353.394 4.184 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2cc(O)ccc2C1 ZINC000618615771 1125222736 /nfs/dbraw/zinc/22/27/36/1125222736.db2.gz YLXHAOSZZYZQQX-HFSMHLIXSA-N 1 0 366.461 4.159 20 5 FIBDRO COc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618987558 1125412087 /nfs/dbraw/zinc/41/20/87/1125412087.db2.gz GCBMWPAPFGSPBY-MSOLQXFVSA-N 1 0 368.433 4.439 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2OCCc3ccccc32)c2cc([N+](=O)[O-])ccc21 ZINC000618987683 1125412255 /nfs/dbraw/zinc/41/22/55/1125412255.db2.gz ZVRMKCKEZQDPOG-UXHICEINSA-N 1 0 352.434 4.221 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000619071064 1125441215 /nfs/dbraw/zinc/44/12/15/1125441215.db2.gz HXEHEBQCZAQSQW-UHFFFAOYSA-N 1 0 351.406 4.120 20 5 FIBDRO CC(C)[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000584665114 567986247 /nfs/dbraw/zinc/98/62/47/567986247.db2.gz AENIFABBJYWNPJ-UWJYYQICSA-N 1 0 368.433 4.340 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000481539515 568037374 /nfs/dbraw/zinc/03/73/74/568037374.db2.gz YUBFPOPXPKCBNM-JKSUJKDBSA-N 1 0 357.429 4.219 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)n1 ZINC000482075828 568254404 /nfs/dbraw/zinc/25/44/04/568254404.db2.gz KTTXRKVLWCUUJE-LVFSCSRESA-N 1 0 372.444 4.340 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000568998107 568265549 /nfs/dbraw/zinc/26/55/49/568265549.db2.gz YGMYVAPFVGRGBP-MLGOLLRUSA-N 1 0 358.360 4.005 20 5 FIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C)(C2CC2)CC1 ZINC000569292821 568338740 /nfs/dbraw/zinc/33/87/40/568338740.db2.gz AHQZQWJOTNTXNI-CYBMUJFWSA-N 1 0 356.426 4.218 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)c2ncccc2C)cc1[N+](=O)[O-] ZINC000569973633 568445172 /nfs/dbraw/zinc/44/51/72/568445172.db2.gz KVHAZSXRDVSQDC-HNNXBMFYSA-N 1 0 357.454 4.325 20 5 FIBDRO CSc1ccc([C@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000570348351 568479689 /nfs/dbraw/zinc/47/96/89/568479689.db2.gz OQILIFWOYSBIAO-LZVBJTEYSA-N 1 0 371.506 4.222 20 5 FIBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000078571602 1125564739 /nfs/dbraw/zinc/56/47/39/1125564739.db2.gz UBQRHNQOGUXGCP-MRXNPFEDSA-N 1 0 354.454 4.285 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000619722722 1125668233 /nfs/dbraw/zinc/66/82/33/1125668233.db2.gz VDNJIQDJAWWSSA-IRXDYDNUSA-N 1 0 368.481 4.377 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCOC[C@@H](C4CCC4)C3)o2)c1 ZINC000430142928 1079594417 /nfs/dbraw/zinc/59/44/17/1079594417.db2.gz AYOSCLHZTUPJME-KRWDZBQOSA-N 1 0 356.422 4.103 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)c3cccnc3)o2)c([N+](=O)[O-])c1 ZINC000608835440 1079990453 /nfs/dbraw/zinc/99/04/53/1079990453.db2.gz DPLPFKKKITWBMZ-CYBMUJFWSA-N 1 0 353.378 4.109 20 5 FIBDRO Cc1ccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000157533734 1079994225 /nfs/dbraw/zinc/99/42/25/1079994225.db2.gz OJKHNJHRTXBFDQ-QGZVFWFLSA-N 1 0 373.497 4.020 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000430227458 1080030569 /nfs/dbraw/zinc/03/05/69/1080030569.db2.gz PNLWPOFNEJTKPS-NSHDSACASA-N 1 0 352.337 4.056 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000430229103 1080034804 /nfs/dbraw/zinc/03/48/04/1080034804.db2.gz UWJZDUIVXPJCPY-LLVKDONJSA-N 1 0 352.337 4.056 20 5 FIBDRO Cc1ccc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000118787466 1080057633 /nfs/dbraw/zinc/05/76/33/1080057633.db2.gz IGZIFVXKOXZCPJ-DLBZAZTESA-N 1 0 374.485 4.022 20 5 FIBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccco1 ZINC000579878569 1080352213 /nfs/dbraw/zinc/35/22/13/1080352213.db2.gz PKUKECLQJFMLKZ-PBHICJAKSA-N 1 0 373.453 4.170 20 5 FIBDRO Cc1cccnc1[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC000120661390 1080375207 /nfs/dbraw/zinc/37/52/07/1080375207.db2.gz YRWRWSRKYMQUFT-HXUWFJFHSA-N 1 0 368.481 4.254 20 5 FIBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000468005841 1080780025 /nfs/dbraw/zinc/78/00/25/1080780025.db2.gz POPKUFLEMWWTCB-OAHLLOKOSA-N 1 0 350.365 4.480 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CC2CC2)c2ccccc2)c2c(c1)COCO2 ZINC000610271339 1080999780 /nfs/dbraw/zinc/99/97/80/1080999780.db2.gz GSMAXGNOZHSGFC-LJQANCHMSA-N 1 0 354.406 4.092 20 5 FIBDRO O=[N+]([O-])c1ccc2nc(N3CCC(C[NH+]4CCCCCC4)CC3)ccc2c1 ZINC000610275393 1081061689 /nfs/dbraw/zinc/06/16/89/1081061689.db2.gz FJAPMYGTKJNDCL-UHFFFAOYSA-N 1 0 368.481 4.235 20 5 FIBDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001167298105 1081188851 /nfs/dbraw/zinc/18/88/51/1081188851.db2.gz FDCMFTXCRBJOLQ-ZDUSSCGKSA-N 1 0 364.833 4.309 20 5 FIBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000177325207 1081203230 /nfs/dbraw/zinc/20/32/30/1081203230.db2.gz CWOMROCZFATPMI-UHFFFAOYSA-N 1 0 369.446 4.432 20 5 FIBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001648813802 1081215432 /nfs/dbraw/zinc/21/54/32/1081215432.db2.gz AHAPVBYMWZVXPH-CALCHBBNSA-N 1 0 371.481 4.312 20 5 FIBDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000543993424 1081243526 /nfs/dbraw/zinc/24/35/26/1081243526.db2.gz OOVKHGGJROMYIY-CHWSQXEVSA-N 1 0 364.829 4.290 20 5 FIBDRO COc1ccccc1[C@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083170559 1081274437 /nfs/dbraw/zinc/27/44/37/1081274437.db2.gz FWRCOIFYVXISGO-MRXNPFEDSA-N 1 0 353.378 4.082 20 5 FIBDRO COc1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(Cl)c1 ZINC000579282598 1081499326 /nfs/dbraw/zinc/49/93/26/1081499326.db2.gz PZTIJXUOLLJLHY-UHFFFAOYSA-N 1 0 359.813 4.070 20 5 FIBDRO Cc1ccc(C[NH2+]CCc2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000063560118 1081502385 /nfs/dbraw/zinc/50/23/85/1081502385.db2.gz FSLGKLHIGXATKS-UHFFFAOYSA-N 1 0 355.257 4.060 20 5 FIBDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000572859025 1081745381 /nfs/dbraw/zinc/74/53/81/1081745381.db2.gz CCPVALVANWSXLW-LLVKDONJSA-N 1 0 353.344 4.422 20 5 FIBDRO C[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379656993 1081851636 /nfs/dbraw/zinc/85/16/36/1081851636.db2.gz RDPUZLQPCXDZMT-CRAIPNDOSA-N 1 0 373.884 4.391 20 5 FIBDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000119004730 1081867946 /nfs/dbraw/zinc/86/79/46/1081867946.db2.gz ORSMVOYKXZBCAQ-INIZCTEOSA-N 1 0 366.364 4.446 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1[N+](=O)[O-] ZINC000536908044 1081958932 /nfs/dbraw/zinc/95/89/32/1081958932.db2.gz CVFRGOSNSNHMCO-ZIAGYGMSSA-N 1 0 353.422 4.200 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471611375 1082090301 /nfs/dbraw/zinc/09/03/01/1082090301.db2.gz PYNUIBZPFRDIDE-CKJXQJPGSA-N 1 0 371.481 4.336 20 5 FIBDRO COc1ccccc1[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000471611666 1082091712 /nfs/dbraw/zinc/09/17/12/1082091712.db2.gz CPQOZELPBNXWBB-FOIQADDNSA-N 1 0 358.438 4.420 20 5 FIBDRO CC(C)c1nc(C2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)no1 ZINC000581034042 1082284154 /nfs/dbraw/zinc/28/41/54/1082284154.db2.gz MBCMYZGCYSXLHN-UHFFFAOYSA-N 1 0 364.833 4.134 20 5 FIBDRO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000177939981 1082353307 /nfs/dbraw/zinc/35/33/07/1082353307.db2.gz PEBZXJUIONWGGT-RNODOKPDSA-N 1 0 354.406 4.168 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c(F)c1 ZINC000610481367 1082562672 /nfs/dbraw/zinc/56/26/72/1082562672.db2.gz VKQBYDFXSQEGOG-CQSZACIVSA-N 1 0 355.369 4.255 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000610539467 1082908527 /nfs/dbraw/zinc/90/85/27/1082908527.db2.gz RRUZWKXBONGXMY-YVEFUNNKSA-N 1 0 361.829 4.316 20 5 FIBDRO C[C@@H]([NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000610538859 1082909438 /nfs/dbraw/zinc/90/94/38/1082909438.db2.gz ZATYOLOWTZFHIE-DNVCBOLYSA-N 1 0 374.444 4.260 20 5 FIBDRO COc1cc(Br)ccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000187439830 1082941406 /nfs/dbraw/zinc/94/14/06/1082941406.db2.gz CLPFHIWYCAHXNG-NSHDSACASA-N 1 0 365.227 4.217 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccccc1OC(F)F ZINC000471779507 1082981319 /nfs/dbraw/zinc/98/13/19/1082981319.db2.gz IOLQNJWXGNDYMB-CQSZACIVSA-N 1 0 364.392 4.350 20 5 FIBDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000471824855 1083067883 /nfs/dbraw/zinc/06/78/83/1083067883.db2.gz UWPSEWFIHKCOIR-NVXWUHKLSA-N 1 0 360.385 4.183 20 5 FIBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)c1 ZINC000581975685 1083128231 /nfs/dbraw/zinc/12/82/31/1083128231.db2.gz QSORBLDVZMWORS-KRWDZBQOSA-N 1 0 368.462 4.275 20 5 FIBDRO CCC[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](=O)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000178331143 1083161091 /nfs/dbraw/zinc/16/10/91/1083161091.db2.gz UDWSRPQEMIRTBD-ANQLJTKZSA-N 1 0 352.500 4.105 20 5 FIBDRO COc1cccc(C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC(C)C)c1 ZINC000610581559 1083207273 /nfs/dbraw/zinc/20/72/73/1083207273.db2.gz SQQDEHRUVINTRP-UHFFFAOYSA-N 1 0 369.421 4.403 20 5 FIBDRO CC[NH+](CC)Cc1ccccc1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000060774011 1083243900 /nfs/dbraw/zinc/24/39/00/1083243900.db2.gz VHKDBAUFCUSNJI-UHFFFAOYSA-N 1 0 361.873 4.380 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430941356 1083244587 /nfs/dbraw/zinc/24/45/87/1083244587.db2.gz WAXOMFYPGICAMG-IEBWSBKVSA-N 1 0 354.450 4.380 20 5 FIBDRO CCC(C)(C)c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000510760024 1083299442 /nfs/dbraw/zinc/29/94/42/1083299442.db2.gz BGDBNPYBWMAZKD-UHFFFAOYSA-N 1 0 356.470 4.316 20 5 FIBDRO CC[C@@H]([NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000179479493 1083476520 /nfs/dbraw/zinc/47/65/20/1083476520.db2.gz FLHGELKCJGSYKK-RDTXWAMCSA-N 1 0 366.421 4.489 20 5 FIBDRO CC(C)[C@H]1c2ccccc2CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000610788002 1083518585 /nfs/dbraw/zinc/51/85/85/1083518585.db2.gz DKPRPWRDHNKCNW-FQEVSTJZSA-N 1 0 368.433 4.217 20 5 FIBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001167496452 1083527883 /nfs/dbraw/zinc/52/78/83/1083527883.db2.gz MBRADGCRQLZHDN-TZMCWYRMSA-N 1 0 373.316 4.463 20 5 FIBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001167496448 1083530306 /nfs/dbraw/zinc/53/03/06/1083530306.db2.gz MBRADGCRQLZHDN-JSGCOSHPSA-N 1 0 373.316 4.463 20 5 FIBDRO COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000167240735 1083684429 /nfs/dbraw/zinc/68/44/29/1083684429.db2.gz MKUKQTABAKXKSL-KRWDZBQOSA-N 1 0 372.465 4.478 20 5 FIBDRO COCCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000167237073 1083684701 /nfs/dbraw/zinc/68/47/01/1083684701.db2.gz JBNMROIMURXAQR-QGZVFWFLSA-N 1 0 372.465 4.478 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000610813071 1083737736 /nfs/dbraw/zinc/73/77/36/1083737736.db2.gz YBUSWLWABYEPEE-UKRRQHHQSA-N 1 0 361.392 4.111 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCc2nc(C)cs2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612407799 1083774984 /nfs/dbraw/zinc/77/49/84/1083774984.db2.gz MPUQRTLYJMFWMJ-LJQANCHMSA-N 1 0 371.462 4.437 20 5 FIBDRO COc1ccc2c(c1)CC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C2 ZINC000612419736 1083786005 /nfs/dbraw/zinc/78/60/05/1083786005.db2.gz KHOAFYWPQXYTPP-BEFAXECRSA-N 1 0 354.450 4.072 20 5 FIBDRO COc1ccc2c(c1)CC[C@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC000612419904 1083786907 /nfs/dbraw/zinc/78/69/07/1083786907.db2.gz ZSJWCIMDUBQVMW-FPOVZHCZSA-N 1 0 366.461 4.072 20 5 FIBDRO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548933641 1083844623 /nfs/dbraw/zinc/84/46/23/1083844623.db2.gz IMIAIWKFSXGDLC-OAHLLOKOSA-N 1 0 351.406 4.485 20 5 FIBDRO Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000128299627 1083947391 /nfs/dbraw/zinc/94/73/91/1083947391.db2.gz GDBQWZJFIRWKFP-NSHDSACASA-N 1 0 372.450 4.216 20 5 FIBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180004016 1083989276 /nfs/dbraw/zinc/98/92/76/1083989276.db2.gz DDMSTIAELJUUQV-INIZCTEOSA-N 1 0 357.454 4.019 20 5 FIBDRO C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000380523404 1084045345 /nfs/dbraw/zinc/04/53/45/1084045345.db2.gz CMAKKJQSTIGNCL-RCVZYCBYSA-N 1 0 365.477 4.156 20 5 FIBDRO COc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(OC)c1OC ZINC000123380409 1084072716 /nfs/dbraw/zinc/07/27/16/1084072716.db2.gz RFFNVUDUQSRQSF-UHFFFAOYSA-N 1 0 374.437 4.031 20 5 FIBDRO Cc1cnn(-c2cc[nH+]cc2NCc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000538421023 1084089095 /nfs/dbraw/zinc/08/90/95/1084089095.db2.gz DBBGZPJHIMORPG-UHFFFAOYSA-N 1 0 351.410 4.219 20 5 FIBDRO Cc1ccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000066236507 1084200481 /nfs/dbraw/zinc/20/04/81/1084200481.db2.gz GEELDUVURWEHHU-UHFFFAOYSA-N 1 0 362.813 4.008 20 5 FIBDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000539065419 1084304127 /nfs/dbraw/zinc/30/41/27/1084304127.db2.gz HXEMNDWQDBFFQN-AUSJPIAWSA-N 1 0 358.438 4.339 20 5 FIBDRO Cc1c(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000071950145 1084382224 /nfs/dbraw/zinc/38/22/24/1084382224.db2.gz IQUFWNFEOBBIFU-UHFFFAOYSA-N 1 0 373.884 4.265 20 5 FIBDRO CCCCn1cc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)n1 ZINC000539216605 1084410972 /nfs/dbraw/zinc/41/09/72/1084410972.db2.gz GTPBLVWJUPAEMJ-LJQANCHMSA-N 1 0 356.470 4.011 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1cc2ccccc2o1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000173262740 1084594530 /nfs/dbraw/zinc/59/45/30/1084594530.db2.gz VYAXMYUJOAHRJV-CHWSQXEVSA-N 1 0 353.378 4.019 20 5 FIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)c2cccnc12 ZINC000511073290 1084621714 /nfs/dbraw/zinc/62/17/14/1084621714.db2.gz KCLVJSIIRCRFSF-UHFFFAOYSA-N 1 0 355.825 4.471 20 5 FIBDRO COCC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCC1 ZINC000551586697 1084682546 /nfs/dbraw/zinc/68/25/46/1084682546.db2.gz KOKPQMDBAZIULV-UHFFFAOYSA-N 1 0 350.802 4.167 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCCc2cccnc2)cc1[N+](=O)[O-] ZINC000414142699 1084693195 /nfs/dbraw/zinc/69/31/95/1084693195.db2.gz JASPRLIDTLEDID-JKSUJKDBSA-N 1 0 357.454 4.451 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CCCc2cccnc2)cc1[N+](=O)[O-] ZINC000414142674 1084693362 /nfs/dbraw/zinc/69/33/62/1084693362.db2.gz JASPRLIDTLEDID-CVEARBPZSA-N 1 0 357.454 4.451 20 5 FIBDRO CC1CC[NH+](CCc2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)CC1 ZINC000539898233 1084694343 /nfs/dbraw/zinc/69/43/43/1084694343.db2.gz ODEREQZLZYVJHL-UHFFFAOYSA-N 1 0 367.449 4.122 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]C2CCC(OC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414186653 1084770480 /nfs/dbraw/zinc/77/04/80/1084770480.db2.gz PZKXHTZLGUDRDS-UPQHMETBSA-N 1 0 358.438 4.387 20 5 FIBDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000613502792 1084852927 /nfs/dbraw/zinc/85/29/27/1084852927.db2.gz CTHARMATHOKQQD-FQEVSTJZSA-N 1 0 351.406 4.333 20 5 FIBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)c2C1 ZINC000582337796 1084885588 /nfs/dbraw/zinc/88/55/88/1084885588.db2.gz GCNWGXUBFHHDFX-OAHLLOKOSA-N 1 0 367.449 4.309 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1O ZINC000478205100 1084924041 /nfs/dbraw/zinc/92/40/41/1084924041.db2.gz ZTLFCFFWSNKYPD-QGZVFWFLSA-N 1 0 372.396 4.174 20 5 FIBDRO C[C@H](c1ccccc1)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000170906041 1084978752 /nfs/dbraw/zinc/97/87/52/1084978752.db2.gz RBHQEYPCJTUYKR-OAHLLOKOSA-N 1 0 351.406 4.485 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)C1CC1 ZINC000158328772 1085025305 /nfs/dbraw/zinc/02/53/05/1085025305.db2.gz OLQVBJVHKQSWGC-HKUYNNGSSA-N 1 0 352.434 4.072 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCCc3ccc(F)cc32)n1 ZINC000479478504 1085173467 /nfs/dbraw/zinc/17/34/67/1085173467.db2.gz NCJXTEBRFZRFLU-FGTMMUONSA-N 1 0 358.417 4.081 20 5 FIBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000479611889 1085231946 /nfs/dbraw/zinc/23/19/46/1085231946.db2.gz ABPIOEWMTSDMCN-HOCLYGCPSA-N 1 0 374.441 4.056 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] ZINC000479872329 1085327207 /nfs/dbraw/zinc/32/72/07/1085327207.db2.gz JFCUJDYZWIEOLA-QAPCUYQASA-N 1 0 359.495 4.452 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)o1 ZINC000611609460 1085513888 /nfs/dbraw/zinc/51/38/88/1085513888.db2.gz JFXLFNUHWIFFQQ-GFCCVEGCSA-N 1 0 352.337 4.058 20 5 FIBDRO CCC(CC)(CNC(=O)c1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000111634947 1085759161 /nfs/dbraw/zinc/75/91/61/1085759161.db2.gz LRAPVFYJVIFCGJ-MRXNPFEDSA-N 1 0 369.465 4.234 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000178681892 1085779646 /nfs/dbraw/zinc/77/96/46/1085779646.db2.gz LGWWJZJOUCVNIP-HZPDHXFCSA-N 1 0 355.438 4.198 20 5 FIBDRO CSc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178686608 1085813208 /nfs/dbraw/zinc/81/32/08/1085813208.db2.gz BJBVDLIRJZPNQO-UONOGXRCSA-N 1 0 373.478 4.303 20 5 FIBDRO C[C@@]1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)OCCc2sccc21 ZINC000572892610 1085913236 /nfs/dbraw/zinc/91/32/36/1085913236.db2.gz KUYLVUCZXXAQKB-PXNSSMCTSA-N 1 0 372.490 4.055 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001167658699 1086388106 /nfs/dbraw/zinc/38/81/06/1086388106.db2.gz KNOOCNRQBQROTO-INIZCTEOSA-N 1 0 363.477 4.210 20 5 FIBDRO Cc1cc(Cl)cc(Cl)c1CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001167796111 1086393458 /nfs/dbraw/zinc/39/34/58/1086393458.db2.gz OBMALAQIEOGJIE-UHFFFAOYSA-N 1 0 352.221 4.425 20 5 FIBDRO O=[N+]([O-])c1ccc(CNCc2cscc2Br)c(Cl)c1 ZINC000511986797 1086563918 /nfs/dbraw/zinc/56/39/18/1086563918.db2.gz DSZKNWYUQDVGNE-UHFFFAOYSA-N 1 0 361.648 4.362 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1cccc(Cn2ccnc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000151336753 1087090029 /nfs/dbraw/zinc/09/00/29/1087090029.db2.gz LKMMODXSAUAPIN-OAQYLSRUSA-N 1 0 364.449 4.471 20 5 FIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000584020251 1087110896 /nfs/dbraw/zinc/11/08/96/1087110896.db2.gz SUQDTZSHSOGTFF-AWEZNQCLSA-N 1 0 363.377 4.029 20 5 FIBDRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000584136595 1087187268 /nfs/dbraw/zinc/18/72/68/1087187268.db2.gz HQYFUCWJQDDNOC-KRWDZBQOSA-N 1 0 369.396 4.043 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000584301685 1087254249 /nfs/dbraw/zinc/25/42/49/1087254249.db2.gz AQABGCBPYQIYJH-MRXNPFEDSA-N 1 0 366.339 4.313 20 5 FIBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000708585551 1087629187 /nfs/dbraw/zinc/62/91/87/1087629187.db2.gz HBSRQXWKLVEXOT-MAUKXSAKSA-N 1 0 373.884 4.106 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(COC)c1 ZINC000504899311 1087956334 /nfs/dbraw/zinc/95/63/34/1087956334.db2.gz DQWPCLBYAIAQRZ-KRWDZBQOSA-N 1 0 360.479 4.402 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)Oc2ccccc2OC)cc1[N+](=O)[O-] ZINC000504905428 1087976057 /nfs/dbraw/zinc/97/60/57/1087976057.db2.gz IKVSPSCNMLVXAS-HUUCEWRRSA-N 1 0 374.437 4.120 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CCC(OC)CC1 ZINC000504912219 1087981704 /nfs/dbraw/zinc/98/17/04/1087981704.db2.gz SHJZDOWIDAVRSK-HWOWSKLDSA-N 1 0 352.500 4.260 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn2c(cccc2C)n1 ZINC000504927050 1087994824 /nfs/dbraw/zinc/99/48/24/1087994824.db2.gz MMNVGYITPWILHQ-HNNXBMFYSA-N 1 0 370.478 4.211 20 5 FIBDRO COC(=O)CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000180666948 1088011564 /nfs/dbraw/zinc/01/15/64/1088011564.db2.gz WRTGRGPWEHEAHS-MAUKXSAKSA-N 1 0 356.422 4.248 20 5 FIBDRO CC[C@H]([NH2+][C@@H](CCC(=O)OC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180674957 1088016666 /nfs/dbraw/zinc/01/66/66/1088016666.db2.gz CJOJQZAHROEAEF-OALUTQOASA-N 1 0 356.422 4.330 20 5 FIBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000181308690 1088301132 /nfs/dbraw/zinc/30/11/32/1088301132.db2.gz BNOYTCKJXHAEFF-GHMZBOCLSA-N 1 0 370.375 4.382 20 5 FIBDRO CCOC1CC(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000189264780 1088459589 /nfs/dbraw/zinc/45/95/89/1088459589.db2.gz RLIOTBJCSOCHIR-VYHPPPRESA-N 1 0 354.450 4.479 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000311295519 1088528851 /nfs/dbraw/zinc/52/88/51/1088528851.db2.gz CLQXPZMFIAUIFD-OFQRWUPVSA-N 1 0 363.458 4.033 20 5 FIBDRO CC[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000311303263 1088547096 /nfs/dbraw/zinc/54/70/96/1088547096.db2.gz JZMJPUJJDLYXIY-RDJZCZTQSA-N 1 0 363.458 4.035 20 5 FIBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000414500571 1088810258 /nfs/dbraw/zinc/81/02/58/1088810258.db2.gz LXMUNDDJJZFQIR-XIKOKIGWSA-N 1 0 361.467 4.012 20 5 FIBDRO CC(C)(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccnc1 ZINC000414556025 1088824999 /nfs/dbraw/zinc/82/49/99/1088824999.db2.gz JCADVUVYXBJSIF-UHFFFAOYSA-N 1 0 368.462 4.181 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H](CO)C3)o2)c(Cl)c1 ZINC000414581230 1088836838 /nfs/dbraw/zinc/83/68/38/1088836838.db2.gz QXRNJYGARFMRTL-CHWSQXEVSA-N 1 0 364.829 4.149 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000181520319 1088863233 /nfs/dbraw/zinc/86/32/33/1088863233.db2.gz SYLZZCJUBULOOH-CVEARBPZSA-N 1 0 355.438 4.014 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)o1 ZINC000430121207 1088994819 /nfs/dbraw/zinc/99/48/19/1088994819.db2.gz GJCAARXODHFUIP-MRXNPFEDSA-N 1 0 356.422 4.103 20 5 FIBDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000515100210 1089781062 /nfs/dbraw/zinc/78/10/62/1089781062.db2.gz VFRCRBMGRWKZBR-GOSISDBHSA-N 1 0 360.479 4.210 20 5 FIBDRO COc1cccc(O[C@@H](C)C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000468631779 1089932423 /nfs/dbraw/zinc/93/24/23/1089932423.db2.gz UBVYGOWUECLNKI-IZNAZMGOSA-N 1 0 356.422 4.064 20 5 FIBDRO C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Br)nc1 ZINC000290632929 1090152504 /nfs/dbraw/zinc/15/25/04/1090152504.db2.gz JBZOLODWMWZPMV-GHMZBOCLSA-N 1 0 350.216 4.164 20 5 FIBDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000541203966 1090233802 /nfs/dbraw/zinc/23/38/02/1090233802.db2.gz NHMFWWNPWGDSDL-STQMWFEESA-N 1 0 364.829 4.290 20 5 FIBDRO CCCO[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000549426530 1090343726 /nfs/dbraw/zinc/34/37/26/1090343726.db2.gz UWSGKIHAIIZYBG-HNNXBMFYSA-N 1 0 360.376 4.395 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)CCCC2 ZINC000417316565 1090796815 /nfs/dbraw/zinc/79/68/15/1090796815.db2.gz UKXPTRKXMUCDEE-SFTDATJTSA-N 1 0 354.450 4.466 20 5 FIBDRO CC(=O)Nc1ccc(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417314015 1090808069 /nfs/dbraw/zinc/80/80/69/1090808069.db2.gz QLOWYCCBBWQMFV-OAQYLSRUSA-N 1 0 367.449 4.153 20 5 FIBDRO CC(C)n1ncc2c1C[C@@H]([NH2+][C@H]1CCCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000417331909 1090821390 /nfs/dbraw/zinc/82/13/90/1090821390.db2.gz NAVHLQFSYVFXSQ-PXNSSMCTSA-N 1 0 368.481 4.287 20 5 FIBDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCCc3ccc([N+](=O)[O-])cc31)CCO2 ZINC000417347742 1090834844 /nfs/dbraw/zinc/83/48/44/1090834844.db2.gz WRGABGVEZVLFGI-UXHICEINSA-N 1 0 368.433 4.484 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000511622822 1090855057 /nfs/dbraw/zinc/85/50/57/1090855057.db2.gz LRJMPVKUTJVTFA-SFHVURJKSA-N 1 0 373.840 4.332 20 5 FIBDRO COCCN(Cc1ccc(C)o1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549471503 1090891408 /nfs/dbraw/zinc/89/14/08/1090891408.db2.gz NYBOUENPVQWWIB-UHFFFAOYSA-N 1 0 372.343 4.164 20 5 FIBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000500120486 1091052263 /nfs/dbraw/zinc/05/22/63/1091052263.db2.gz XSNWPMSPAQRCGL-XOBRGWDASA-N 1 0 371.412 4.146 20 5 FIBDRO O=C(CC[N@H+](C1CC1)[C@H]1CCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000500138433 1091063739 /nfs/dbraw/zinc/06/37/39/1091063739.db2.gz LNVZKKNBGIWVSN-IBGZPJMESA-N 1 0 365.433 4.075 20 5 FIBDRO CC(=O)c1ccc(N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000053580484 1091204090 /nfs/dbraw/zinc/20/40/90/1091204090.db2.gz XVYFNEZWRCHHDQ-KSSFIOAISA-N 1 0 353.422 4.045 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CC=CCC3)C2)cccc1[N+](=O)[O-] ZINC000512213588 1091917633 /nfs/dbraw/zinc/91/76/33/1091917633.db2.gz ODHCDCKRBCFTSI-JXFKEZNVSA-N 1 0 357.454 4.053 20 5 FIBDRO C[C@@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000182142310 1091926918 /nfs/dbraw/zinc/92/69/18/1091926918.db2.gz JCVFYFUTUCLIKO-CQSZACIVSA-N 1 0 356.422 4.401 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512236395 1091942745 /nfs/dbraw/zinc/94/27/45/1091942745.db2.gz HFVXGTQQCIHJFQ-XMSQKQJNSA-N 1 0 365.477 4.254 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000512291896 1092014308 /nfs/dbraw/zinc/01/43/08/1092014308.db2.gz MRJNOKYWEUVXJG-INIZCTEOSA-N 1 0 367.449 4.457 20 5 FIBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000520828748 1092286773 /nfs/dbraw/zinc/28/67/73/1092286773.db2.gz WFTCLBFXRMJQRN-QGZVFWFLSA-N 1 0 360.845 4.201 20 5 FIBDRO Cc1c(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000500744812 1092482603 /nfs/dbraw/zinc/48/26/03/1092482603.db2.gz FEGWJILVQQUXMF-OAHLLOKOSA-N 1 0 367.449 4.387 20 5 FIBDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000521379112 1092668358 /nfs/dbraw/zinc/66/83/58/1092668358.db2.gz CKIACCHNKODPQU-GOSISDBHSA-N 1 0 364.829 4.291 20 5 FIBDRO Cc1cccc(CCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000512537614 1092675765 /nfs/dbraw/zinc/67/57/65/1092675765.db2.gz VQERLFSWZWNDGQ-UHFFFAOYSA-N 1 0 351.406 4.281 20 5 FIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc(-c2cccs2)s1 ZINC000549806696 1092808307 /nfs/dbraw/zinc/80/83/07/1092808307.db2.gz YXIMNFCZZOYVHX-UHFFFAOYSA-N 1 0 359.476 4.454 20 5 FIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(OC(F)F)c(F)c1 ZINC000549806643 1092808610 /nfs/dbraw/zinc/80/86/10/1092808610.db2.gz WXDRSKYBWJZJLP-UHFFFAOYSA-N 1 0 354.328 4.010 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H](c4ccccc4F)C3)co2)cc1 ZINC000549813927 1092832397 /nfs/dbraw/zinc/83/23/97/1092832397.db2.gz VHRZSGHYGNXTDO-HNNXBMFYSA-N 1 0 367.380 4.378 20 5 FIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 ZINC001167911065 1092858876 /nfs/dbraw/zinc/85/88/76/1092858876.db2.gz AIZZDNMLFOMLGL-KRWDZBQOSA-N 1 0 365.433 4.335 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000521827294 1092931353 /nfs/dbraw/zinc/93/13/53/1092931353.db2.gz SRLZNAAWCHMGBU-BEFAXECRSA-N 1 0 370.449 4.461 20 5 FIBDRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000474048282 1093142285 /nfs/dbraw/zinc/14/22/85/1093142285.db2.gz YPQFMKSVWSCKKX-GOSISDBHSA-N 1 0 356.422 4.124 20 5 FIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000184988024 1093191269 /nfs/dbraw/zinc/19/12/69/1093191269.db2.gz HWSBHRAFKQMZHB-GFCCVEGCSA-N 1 0 363.364 4.039 20 5 FIBDRO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCc2cccnc21 ZINC000614215629 1093207891 /nfs/dbraw/zinc/20/78/91/1093207891.db2.gz NMUZSEWMYKJSEM-KRWDZBQOSA-N 1 0 366.421 4.421 20 5 FIBDRO CC[C@@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000433087735 1093232242 /nfs/dbraw/zinc/23/22/42/1093232242.db2.gz JVPXPJMFTHYVGJ-VEDCXYSMSA-N 1 0 354.450 4.192 20 5 FIBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCCO2 ZINC000433129689 1093306991 /nfs/dbraw/zinc/30/69/91/1093306991.db2.gz OQPLOLOXDONILB-UGSOOPFHSA-N 1 0 368.433 4.439 20 5 FIBDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1OC(F)F ZINC000151647213 1093331298 /nfs/dbraw/zinc/33/12/98/1093331298.db2.gz XGTMANGZQCEXEQ-GFCCVEGCSA-N 1 0 366.364 4.446 20 5 FIBDRO COc1cccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1OC ZINC000433152745 1093339832 /nfs/dbraw/zinc/33/98/32/1093339832.db2.gz NGBVMTZTLPJVFY-QGZVFWFLSA-N 1 0 356.422 4.124 20 5 FIBDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000433173126 1093372311 /nfs/dbraw/zinc/37/23/11/1093372311.db2.gz JFVPPWPRLGFEBP-LJQANCHMSA-N 1 0 368.481 4.348 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000549884746 1093409021 /nfs/dbraw/zinc/40/90/21/1093409021.db2.gz PZTOOMCGSUIYNI-KGLIPLIRSA-N 1 0 354.385 4.331 20 5 FIBDRO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000512890679 1093512050 /nfs/dbraw/zinc/51/20/50/1093512050.db2.gz LGSSUJIVXCWKOL-SFHVURJKSA-N 1 0 368.462 4.298 20 5 FIBDRO CC(C)n1cc2c(n1)C[C@H]([NH2+][C@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CC2 ZINC000433291845 1093548901 /nfs/dbraw/zinc/54/89/01/1093548901.db2.gz XNYVWHYEWCLGJE-QRWLVFNGSA-N 1 0 368.481 4.242 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000433310508 1093577276 /nfs/dbraw/zinc/57/72/76/1093577276.db2.gz CDCNNOVGKXOAMO-SFHVURJKSA-N 1 0 360.841 4.242 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513084668 1093786487 /nfs/dbraw/zinc/78/64/87/1093786487.db2.gz WSWYGMJHDMPEIF-RDTXWAMCSA-N 1 0 356.422 4.071 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CC[C@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000513101297 1093847941 /nfs/dbraw/zinc/84/79/41/1093847941.db2.gz QFLLZWRWYSPQII-PBHICJAKSA-N 1 0 356.422 4.071 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473512389 1093905717 /nfs/dbraw/zinc/90/57/17/1093905717.db2.gz HSSHTZPEROQQEL-SJORKVTESA-N 1 0 368.481 4.234 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](n4cccn4)C3)s2)cc1 ZINC000513150882 1093908144 /nfs/dbraw/zinc/90/81/44/1093908144.db2.gz SUQAZDZKQGSTOX-QGZVFWFLSA-N 1 0 368.462 4.357 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000513267014 1094041012 /nfs/dbraw/zinc/04/10/12/1094041012.db2.gz NJFIHXJWOODKLH-FOIQADDNSA-N 1 0 367.449 4.315 20 5 FIBDRO COc1ccccc1O[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000513367749 1094083043 /nfs/dbraw/zinc/08/30/43/1094083043.db2.gz RLBSUETUUNWFKO-MAUKXSAKSA-N 1 0 356.422 4.208 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000513405969 1094104689 /nfs/dbraw/zinc/10/46/89/1094104689.db2.gz KNKPGXCRDZTIPB-ZDUSSCGKSA-N 1 0 354.410 4.109 20 5 FIBDRO CC(C)C1CCC([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000513672871 1094267409 /nfs/dbraw/zinc/26/74/09/1094267409.db2.gz NHTYGEYHTBBXSB-GXOAENINSA-N 1 0 356.470 4.222 20 5 FIBDRO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000183200925 1094410479 /nfs/dbraw/zinc/41/04/79/1094410479.db2.gz VAVQFWMAJAAQCR-INIZCTEOSA-N 1 0 350.422 4.248 20 5 FIBDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501051684 1094457381 /nfs/dbraw/zinc/45/73/81/1094457381.db2.gz FBQWUXYRKRQWLK-OAQYLSRUSA-N 1 0 367.449 4.021 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(Cl)c(Br)c2)cc1 ZINC000137112728 1094879745 /nfs/dbraw/zinc/87/97/45/1094879745.db2.gz ZYTORYSDISHBGJ-UHFFFAOYSA-N 1 0 355.619 4.301 20 5 FIBDRO Cc1nccn1CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000509947256 1094945877 /nfs/dbraw/zinc/94/58/77/1094945877.db2.gz ZZHCGKTUFFYLOZ-UHFFFAOYSA-N 1 0 356.451 4.008 20 5 FIBDRO CCCn1nccc1C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000502328216 1095385262 /nfs/dbraw/zinc/38/52/62/1095385262.db2.gz UUSOFXPOZUOHJK-ALCCZGGFSA-N 1 0 354.454 4.094 20 5 FIBDRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000237181832 1095453971 /nfs/dbraw/zinc/45/39/71/1095453971.db2.gz FILPAAIVHRAQKN-CQSZACIVSA-N 1 0 360.479 4.430 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)c1ccc(Br)cn1 ZINC000281318330 1095526208 /nfs/dbraw/zinc/52/62/08/1095526208.db2.gz ZQKMRTDGSMXQHW-NEPJUHHUSA-N 1 0 364.243 4.473 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3cc(C)nc(C)c3)o2)c([N+](=O)[O-])c1 ZINC000421391976 1095592856 /nfs/dbraw/zinc/59/28/56/1095592856.db2.gz WSRWLSNXLKVCMW-UHFFFAOYSA-N 1 0 367.405 4.165 20 5 FIBDRO COc1cc(C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000016420002 1095634906 /nfs/dbraw/zinc/63/49/06/1095634906.db2.gz PVGSAQUTGOBIIW-GFCCVEGCSA-N 1 0 366.364 4.398 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CC=CCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237235023 1095713664 /nfs/dbraw/zinc/71/36/64/1095713664.db2.gz OAOSNJCDOCVQPI-GOSISDBHSA-N 1 0 368.433 4.381 20 5 FIBDRO O=[N+]([O-])c1cc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000423080577 1096567591 /nfs/dbraw/zinc/56/75/91/1096567591.db2.gz BUKOZSCGSAASLZ-YESZJQIVSA-N 1 0 371.403 4.014 20 5 FIBDRO O=[N+]([O-])c1cc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000423080575 1096567783 /nfs/dbraw/zinc/56/77/83/1096567783.db2.gz BUKOZSCGSAASLZ-GVDBMIGSSA-N 1 0 371.403 4.014 20 5 FIBDRO COC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCC1 ZINC000503918424 1096586944 /nfs/dbraw/zinc/58/69/44/1096586944.db2.gz BNVYHQXOMQMXMN-UHFFFAOYSA-N 1 0 350.802 4.167 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000503929835 1096598025 /nfs/dbraw/zinc/59/80/25/1096598025.db2.gz QOLDXRUTDZLZRU-CQSZACIVSA-N 1 0 353.422 4.368 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000423358968 1096656341 /nfs/dbraw/zinc/65/63/41/1096656341.db2.gz UPSCBQHOUQVKEQ-FZKQIMNGSA-N 1 0 355.438 4.304 20 5 FIBDRO CC(C)C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000532932926 1098606664 /nfs/dbraw/zinc/60/66/64/1098606664.db2.gz IQXPTMAXCROHMD-UHFFFAOYSA-N 1 0 366.421 4.303 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000533046042 1098710338 /nfs/dbraw/zinc/71/03/38/1098710338.db2.gz DVIFOINVCHENPL-HXUWFJFHSA-N 1 0 371.412 4.112 20 5 FIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c1 ZINC000533100556 1098761305 /nfs/dbraw/zinc/76/13/05/1098761305.db2.gz JPSAWOSONSUWIU-CQSZACIVSA-N 1 0 355.369 4.255 20 5 FIBDRO Cc1c(NC(=O)CC[N@H+](Cc2ccccc2F)C(C)C)cccc1[N+](=O)[O-] ZINC000533250471 1098912447 /nfs/dbraw/zinc/91/24/47/1098912447.db2.gz MQUACRVOJHDCGU-UHFFFAOYSA-N 1 0 373.428 4.282 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436394254 1098984644 /nfs/dbraw/zinc/98/46/44/1098984644.db2.gz VUXRHNDMNOHPBS-QGZVFWFLSA-N 1 0 374.485 4.130 20 5 FIBDRO C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533380295 1098995902 /nfs/dbraw/zinc/99/59/02/1098995902.db2.gz HUDQYWZKFZPFND-DGCLKSJQSA-N 1 0 364.808 4.030 20 5 FIBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1[C@@H]1CCCO1 ZINC000516357246 1099408137 /nfs/dbraw/zinc/40/81/37/1099408137.db2.gz TZNNOCNOJBFYSX-OALUTQOASA-N 1 0 356.422 4.244 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCCCC3)CC2)cc1C(F)(F)F ZINC000533787753 1099935193 /nfs/dbraw/zinc/93/51/93/1099935193.db2.gz RNGCXJSIOPYJDM-UHFFFAOYSA-N 1 0 357.376 4.068 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)s1 ZINC000536692323 1100188925 /nfs/dbraw/zinc/18/89/25/1100188925.db2.gz DMESMSODKKHNIO-CABCVRRESA-N 1 0 358.463 4.182 20 5 FIBDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536806667 1100311106 /nfs/dbraw/zinc/31/11/06/1100311106.db2.gz QDJGKBWWAKWRLQ-KGLIPLIRSA-N 1 0 356.451 4.259 20 5 FIBDRO COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000536829535 1100328485 /nfs/dbraw/zinc/32/84/85/1100328485.db2.gz ZAVMTRGJLVSUQZ-GDBMZVCRSA-N 1 0 372.465 4.450 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000536840071 1100352071 /nfs/dbraw/zinc/35/20/71/1100352071.db2.gz PLJNTAQBWKPYSV-LBPRGKRZSA-N 1 0 369.343 4.047 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000536850035 1100363824 /nfs/dbraw/zinc/36/38/24/1100363824.db2.gz FDDZIHWCDXBICM-GJZGRUSLSA-N 1 0 350.484 4.157 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459650296 1100393483 /nfs/dbraw/zinc/39/34/83/1100393483.db2.gz XLLPIRSQQQPIQC-XJKSGUPXSA-N 1 0 372.387 4.337 20 5 FIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425952044 1100444625 /nfs/dbraw/zinc/44/46/25/1100444625.db2.gz GAPBSIGQCZODSK-CYBMUJFWSA-N 1 0 371.412 4.118 20 5 FIBDRO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1 ZINC000517547769 1100489937 /nfs/dbraw/zinc/48/99/37/1100489937.db2.gz NSRQRGIGNOVZDC-NSHDSACASA-N 1 0 354.328 4.229 20 5 FIBDRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000426018761 1100672456 /nfs/dbraw/zinc/67/24/56/1100672456.db2.gz QFDMCUIPUQVGEM-RYUDHWBXSA-N 1 0 361.364 4.023 20 5 FIBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000518263607 1101048740 /nfs/dbraw/zinc/04/87/40/1101048740.db2.gz YWQMYBDFNYSNFW-JKSUJKDBSA-N 1 0 357.454 4.065 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCOc3ccccc3)o2)cc1 ZINC000518271117 1101054248 /nfs/dbraw/zinc/05/42/48/1101054248.db2.gz AUFHKOZDNADIAU-UHFFFAOYSA-N 1 0 352.390 4.414 20 5 FIBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000518562231 1101305331 /nfs/dbraw/zinc/30/53/31/1101305331.db2.gz CLGBEDLSHDXYJJ-IRXDYDNUSA-N 1 0 356.422 4.340 20 5 FIBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1c(F)cccc1F ZINC000537029384 1101406503 /nfs/dbraw/zinc/40/65/03/1101406503.db2.gz SOGYXBNOYMXFRS-LBPRGKRZSA-N 1 0 373.359 4.421 20 5 FIBDRO COc1ccc([C@H](C)[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000537028272 1101406908 /nfs/dbraw/zinc/40/69/08/1101406908.db2.gz QLQAASOTBIFMIT-AWEZNQCLSA-N 1 0 367.405 4.152 20 5 FIBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(Cl)c(N)c(Cl)c1 ZINC000760171254 1101548621 /nfs/dbraw/zinc/54/86/21/1101548621.db2.gz XUGUUSUWBHPNCC-JTQLQIEISA-N 1 0 354.237 4.377 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC2(CCO)CCC2)cc1[N+](=O)[O-] ZINC000537318885 1101650608 /nfs/dbraw/zinc/65/06/08/1101650608.db2.gz ROCKIVJKXNWNRC-UHFFFAOYSA-N 1 0 369.465 4.005 20 5 FIBDRO CC(C)[C@@H](O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000537386384 1101722900 /nfs/dbraw/zinc/72/29/00/1101722900.db2.gz OFPSPNHAQUDIRV-GOSISDBHSA-N 1 0 360.479 4.210 20 5 FIBDRO Cc1cc(C)c(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000152572986 1102021436 /nfs/dbraw/zinc/02/14/36/1102021436.db2.gz QRFHBIMEWHFQJP-INIZCTEOSA-N 1 0 355.438 4.118 20 5 FIBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc2ccccc2c1 ZINC000026250367 1102299453 /nfs/dbraw/zinc/29/94/53/1102299453.db2.gz MLRQZYOOYHXAHA-UHFFFAOYSA-N 1 0 363.417 4.209 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H](C(F)(F)F)C3)o2)c1 ZINC000170905744 1102306598 /nfs/dbraw/zinc/30/65/98/1102306598.db2.gz UWYVYJMRHSFLRJ-CYBMUJFWSA-N 1 0 369.343 4.067 20 5 FIBDRO CC(C)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccn1 ZINC000532475167 1102402470 /nfs/dbraw/zinc/40/24/70/1102402470.db2.gz JVHUBQKUPASYCR-UHFFFAOYSA-N 1 0 366.421 4.098 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000532485563 1102426681 /nfs/dbraw/zinc/42/66/81/1102426681.db2.gz ZFMXOCUDZMSCQW-AZUAARDMSA-N 1 0 367.493 4.118 20 5 FIBDRO Cc1ccc([C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)N2CCCC2)o1 ZINC000532488437 1102428160 /nfs/dbraw/zinc/42/81/60/1102428160.db2.gz AGGLUZUQDIJZJG-APWZRJJASA-N 1 0 357.454 4.292 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000550857428 1102563174 /nfs/dbraw/zinc/56/31/74/1102563174.db2.gz SCMNPPYQEWSERD-CYBMUJFWSA-N 1 0 367.371 4.162 20 5 FIBDRO Cc1nccnc1CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000550894014 1102669681 /nfs/dbraw/zinc/66/96/81/1102669681.db2.gz BSIOKWBPHBFFRK-CQSZACIVSA-N 1 0 368.462 4.315 20 5 FIBDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000121880384 1102752472 /nfs/dbraw/zinc/75/24/72/1102752472.db2.gz HSZWNOYHNKSJCE-ZDUSSCGKSA-N 1 0 371.828 4.022 20 5 FIBDRO c1ccc2c(c1)cc(-c1noc([C@@H]3C[NH2+]C[C@@H]4CCO[C@@H]43)n1)c1ccccc21 ZINC001211931972 1102760738 /nfs/dbraw/zinc/76/07/38/1102760738.db2.gz PGWGJSFURVBTTD-RVHYNSKXSA-N 1 0 371.440 4.135 20 5 FIBDRO CCc1noc(C)c1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000550240357 1102818093 /nfs/dbraw/zinc/81/80/93/1102818093.db2.gz WRJUWEMHXPEMFC-UHFFFAOYSA-N 1 0 357.435 4.472 20 5 FIBDRO COc1cc(C[NH2+]C2(C(C)C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000550265690 1102885406 /nfs/dbraw/zinc/88/54/06/1102885406.db2.gz YNRRDTDQJWOUCI-UHFFFAOYSA-N 1 0 370.449 4.461 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCCO3)o2)c(Cl)c1 ZINC000237816109 1102946149 /nfs/dbraw/zinc/94/61/49/1102946149.db2.gz SHJPAXRPEKXDHT-ZDUSSCGKSA-N 1 0 350.802 4.167 20 5 FIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000506944004 1102985859 /nfs/dbraw/zinc/98/58/59/1102985859.db2.gz KDBKSXBNDMIUPS-GUTXKFCHSA-N 1 0 371.403 4.455 20 5 FIBDRO CC(C)(C)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000507040099 1103058768 /nfs/dbraw/zinc/05/87/68/1103058768.db2.gz OCJKISDFEBMYAV-IBGZPJMESA-N 1 0 373.428 4.440 20 5 FIBDRO COc1cc(C)c(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1OC ZINC000507158105 1103176037 /nfs/dbraw/zinc/17/60/37/1103176037.db2.gz ZICAJDAWWRACCF-UHFFFAOYSA-N 1 0 356.422 4.085 20 5 FIBDRO Cc1ccccc1[C@@H](C)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)C ZINC000551423826 1103207001 /nfs/dbraw/zinc/20/70/01/1103207001.db2.gz OZWJHMSLNMJUMX-MRXNPFEDSA-N 1 0 369.465 4.221 20 5 FIBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000551423575 1103207540 /nfs/dbraw/zinc/20/75/40/1103207540.db2.gz MCKLWONZWYRPDG-JKSUJKDBSA-N 1 0 362.861 4.188 20 5 FIBDRO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000532801854 1103221250 /nfs/dbraw/zinc/22/12/50/1103221250.db2.gz FVJAKGUHHXPBNM-FRQCXROJSA-N 1 0 356.470 4.434 20 5 FIBDRO COc1cc(C[N@H+](C)[C@@H](C)C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000507246142 1103247840 /nfs/dbraw/zinc/24/78/40/1103247840.db2.gz GXOSOIDQQMMFAI-NSHDSACASA-N 1 0 364.364 4.021 20 5 FIBDRO CCOC(=O)CC1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000507350084 1103321231 /nfs/dbraw/zinc/32/12/31/1103321231.db2.gz SQTNNMIMOSVORM-UHFFFAOYSA-N 1 0 372.421 4.020 20 5 FIBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1 ZINC000843762583 1103345989 /nfs/dbraw/zinc/34/59/89/1103345989.db2.gz ARGAXJOBLFRRRV-UHFFFAOYSA-N 1 0 359.401 4.136 20 5 FIBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1Br)c1ccsc1 ZINC000484865695 1104838588 /nfs/dbraw/zinc/83/85/88/1104838588.db2.gz QFUGNRCZZLQASC-AWEZNQCLSA-N 1 0 370.272 4.134 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248408608 1104868004 /nfs/dbraw/zinc/86/80/04/1104868004.db2.gz CEPJUHIPPGBYCA-SWLSCSKDSA-N 1 0 368.359 4.208 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000427896994 1105306999 /nfs/dbraw/zinc/30/69/99/1105306999.db2.gz WRFPNZPKAXPXGD-KBPBESRZSA-N 1 0 368.462 4.185 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000508063108 1105316185 /nfs/dbraw/zinc/31/61/85/1105316185.db2.gz JIGOHOXXEFEDMF-UHFFFAOYSA-N 1 0 363.417 4.358 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000451101970 1106932041 /nfs/dbraw/zinc/93/20/41/1106932041.db2.gz GPUOMLNMQBXKKI-GRDNDAEWSA-N 1 0 373.478 4.059 20 5 FIBDRO COc1ccc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000186433754 1107034732 /nfs/dbraw/zinc/03/47/32/1107034732.db2.gz XNRNCOKHTJSDKR-CQSZACIVSA-N 1 0 354.328 4.039 20 5 FIBDRO O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543508 1107161244 /nfs/dbraw/zinc/16/12/44/1107161244.db2.gz CDRBMOIWSXVWGV-KRWDZBQOSA-N 1 0 363.417 4.228 20 5 FIBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237477064 1107174396 /nfs/dbraw/zinc/17/43/96/1107174396.db2.gz LVFNPWPMXNKXLM-ROUUACIJSA-N 1 0 364.829 4.149 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000530727601 1107289804 /nfs/dbraw/zinc/28/98/04/1107289804.db2.gz BLGOABTVCCMEMM-QWHCGFSZSA-N 1 0 361.829 4.234 20 5 FIBDRO C[NH+](C)Cc1ccc(-c2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)cc1 ZINC000530871910 1107377103 /nfs/dbraw/zinc/37/71/03/1107377103.db2.gz ONMXXTQVPIXJBU-NTMALXAHSA-N 1 0 368.368 4.016 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000451941363 1107391045 /nfs/dbraw/zinc/39/10/45/1107391045.db2.gz NTYQELYHGAMMGX-KRWDZBQOSA-N 1 0 354.450 4.346 20 5 FIBDRO CCC[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000121347641 1107396681 /nfs/dbraw/zinc/39/66/81/1107396681.db2.gz FOOQZCITRCWZBO-LJQANCHMSA-N 1 0 354.454 4.090 20 5 FIBDRO C[C@@H](Cc1ccncc1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000530913233 1107407039 /nfs/dbraw/zinc/40/70/39/1107407039.db2.gz BZOHUYCNYNPZDX-AWEZNQCLSA-N 1 0 353.447 4.439 20 5 FIBDRO C[C@H](Cc1ccncc1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000530914549 1107409658 /nfs/dbraw/zinc/40/96/58/1107409658.db2.gz LHQPDVJNFLELBI-CQSZACIVSA-N 1 0 353.447 4.439 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000452064236 1107445896 /nfs/dbraw/zinc/44/58/96/1107445896.db2.gz ZLUPKPSHFPGXHM-MRXNPFEDSA-N 1 0 366.870 4.303 20 5 FIBDRO CCC[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000186489677 1107497527 /nfs/dbraw/zinc/49/75/27/1107497527.db2.gz QZAFPICLGGNKLW-GOSISDBHSA-N 1 0 352.438 4.155 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)C1CC1 ZINC000127388538 1107602003 /nfs/dbraw/zinc/60/20/03/1107602003.db2.gz GPUOTWNMCJYSKD-RBUKOAKNSA-N 1 0 358.482 4.387 20 5 FIBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000475514621 1107634836 /nfs/dbraw/zinc/63/48/36/1107634836.db2.gz XVHUTYWOIUXEEE-FVOPLDGLSA-N 1 0 362.227 4.116 20 5 FIBDRO CC(=O)c1cc(NCC2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000585706109 1107658956 /nfs/dbraw/zinc/65/89/56/1107658956.db2.gz KJGBEIURDNFLRV-UHFFFAOYSA-N 1 0 367.449 4.122 20 5 FIBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)c1ccco1 ZINC000475563706 1107738594 /nfs/dbraw/zinc/73/85/94/1107738594.db2.gz JZNXOYJMVSOJCY-QGZVFWFLSA-N 1 0 374.441 4.009 20 5 FIBDRO CN(C)c1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000520207899 1108022323 /nfs/dbraw/zinc/02/23/23/1108022323.db2.gz QCLATVYBFQUKOO-UHFFFAOYSA-N 1 0 368.462 4.074 20 5 FIBDRO COc1ccccc1[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000531677577 1108064147 /nfs/dbraw/zinc/06/41/47/1108064147.db2.gz IIVKAYGCMGUWIG-OXQOHEQNSA-N 1 0 369.465 4.091 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000520240970 1108117572 /nfs/dbraw/zinc/11/75/72/1108117572.db2.gz YGJPOUBNGSEVCR-GOSISDBHSA-N 1 0 374.485 4.069 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000444743927 1108145869 /nfs/dbraw/zinc/14/58/69/1108145869.db2.gz KFYFJOJCWBSNSV-NSHDSACASA-N 1 0 365.227 4.217 20 5 FIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000519920675 1108297577 /nfs/dbraw/zinc/29/75/77/1108297577.db2.gz VIAGLXAUDRAACM-SFHVURJKSA-N 1 0 367.449 4.062 20 5 FIBDRO COc1ncc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000453300113 1108376487 /nfs/dbraw/zinc/37/64/87/1108376487.db2.gz VDVLCFPXNZJXTH-MRXNPFEDSA-N 1 0 361.829 4.164 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000532187548 1108698300 /nfs/dbraw/zinc/69/83/00/1108698300.db2.gz JOGZNDHISIWXBV-ZDUSSCGKSA-N 1 0 350.365 4.398 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)N2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000532209749 1108712773 /nfs/dbraw/zinc/71/27/73/1108712773.db2.gz UVGUWQNFKSZFHL-HIFRSBDPSA-N 1 0 359.495 4.062 20 5 FIBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cs1 ZINC000532243780 1108733630 /nfs/dbraw/zinc/73/36/30/1108733630.db2.gz GOVVADQDHADGBF-MOPGFXCFSA-N 1 0 371.506 4.143 20 5 FIBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000445888265 1109031381 /nfs/dbraw/zinc/03/13/81/1109031381.db2.gz VYVOMQXQDFEMTR-CQSZACIVSA-N 1 0 371.359 4.359 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000248810710 1109037671 /nfs/dbraw/zinc/03/76/71/1109037671.db2.gz CLHDLNQHTSDIJV-OFQRWUPVSA-N 1 0 372.469 4.337 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000445991848 1109072492 /nfs/dbraw/zinc/07/24/92/1109072492.db2.gz NDUYHPFCHBDVBW-QUCCMNQESA-N 1 0 367.449 4.158 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000446500109 1109248657 /nfs/dbraw/zinc/24/86/57/1109248657.db2.gz VLRSNDLDWMBIEX-UHFFFAOYSA-N 1 0 374.485 4.023 20 5 FIBDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1C ZINC000525121585 1109269419 /nfs/dbraw/zinc/26/94/19/1109269419.db2.gz UNOXFXZZUYFOLA-HXUWFJFHSA-N 1 0 368.433 4.415 20 5 FIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000446932089 1109393246 /nfs/dbraw/zinc/39/32/46/1109393246.db2.gz UFNUNJKWTGOAFF-IBGZPJMESA-N 1 0 350.422 4.020 20 5 FIBDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000447271331 1109493018 /nfs/dbraw/zinc/49/30/18/1109493018.db2.gz NFXBSHUZPKCBQS-UHFFFAOYSA-N 1 0 369.465 4.147 20 5 FIBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCc2ccccc21 ZINC000508592726 1109524400 /nfs/dbraw/zinc/52/44/00/1109524400.db2.gz BOIBBRISSDIHOB-HXUWFJFHSA-N 1 0 368.433 4.361 20 5 FIBDRO COc1ccc(CCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000447533437 1109570590 /nfs/dbraw/zinc/57/05/90/1109570590.db2.gz XLTHZRMBCGJMEI-IBGZPJMESA-N 1 0 370.449 4.212 20 5 FIBDRO COc1ccc([C@H](C)CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447537824 1109571697 /nfs/dbraw/zinc/57/16/97/1109571697.db2.gz YVJMOMIXBZLGTH-ATZDWAIDSA-N 1 0 372.469 4.067 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(c3ccc(F)cc3)C1)CCC2 ZINC000447546844 1109574576 /nfs/dbraw/zinc/57/45/76/1109574576.db2.gz ZHQDGAMAXTUFLT-VFNWGFHPSA-N 1 0 369.440 4.227 20 5 FIBDRO Cn1cc(-c2cccc(C[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)c2)cn1 ZINC000447589774 1109588906 /nfs/dbraw/zinc/58/89/06/1109588906.db2.gz YXFRUYYHVVPPAU-NRFANRHFSA-N 1 0 362.433 4.163 20 5 FIBDRO CSc1cc(C)ccc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447578440 1109594342 /nfs/dbraw/zinc/59/43/42/1109594342.db2.gz FNJKAZPMEUVMKI-CVEARBPZSA-N 1 0 360.483 4.095 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2csc(N3CCC([NH+]4CCCCC4)CC3)n2)cc1 ZINC000448944973 1109939153 /nfs/dbraw/zinc/93/91/53/1109939153.db2.gz UPOBQAFCQRZIMS-UHFFFAOYSA-N 1 0 372.494 4.173 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1cnn(Cc2ccccc2)c1 ZINC000449207490 1109995406 /nfs/dbraw/zinc/99/54/06/1109995406.db2.gz OGBFNTPONAEEFR-DLBZAZTESA-N 1 0 364.449 4.121 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000449256831 1110008217 /nfs/dbraw/zinc/00/82/17/1110008217.db2.gz FUVRKSUGFYRLLO-STQMWFEESA-N 1 0 370.384 4.066 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000449260464 1110017395 /nfs/dbraw/zinc/01/73/95/1110017395.db2.gz XOUQNGBLAUGRNV-BBRMVZONSA-N 1 0 352.356 4.462 20 5 FIBDRO COc1ccc([C@H]2C[C@H]([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])C2)cc1F ZINC000449306129 1110023332 /nfs/dbraw/zinc/02/33/32/1110023332.db2.gz JQSJDWMZVIIVMS-JQFCIGGWSA-N 1 0 358.413 4.209 20 5 FIBDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000449347425 1110036178 /nfs/dbraw/zinc/03/61/78/1110036178.db2.gz GZKINBUVWQTGNQ-ZBFHGGJFSA-N 1 0 355.438 4.280 20 5 FIBDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449348634 1110036974 /nfs/dbraw/zinc/03/69/74/1110036974.db2.gz MLNSMGLAHULFQW-CABCVRRESA-N 1 0 355.438 4.225 20 5 FIBDRO CC(C)(CO)CC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000449407291 1110060710 /nfs/dbraw/zinc/06/07/10/1110060710.db2.gz GNKPPPKOINWTRU-UHFFFAOYSA-N 1 0 362.401 4.024 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H](O)C(F)F ZINC000449421575 1110070174 /nfs/dbraw/zinc/07/01/74/1110070174.db2.gz IYVZVFIDRHMFLO-ZFWWWQNUSA-N 1 0 374.771 4.002 20 5 FIBDRO C[C@H](CC(C)(C)O)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000449448529 1110072815 /nfs/dbraw/zinc/07/28/15/1110072815.db2.gz IAOHSSHPLVZNBO-CYBMUJFWSA-N 1 0 362.401 4.165 20 5 FIBDRO COc1ccc(-c2ccc(CNCc3cnc(C4CC4)o3)o2)c([N+](=O)[O-])c1 ZINC000449696101 1110147685 /nfs/dbraw/zinc/14/76/85/1110147685.db2.gz HFGXSCUFOCKWCX-UHFFFAOYSA-N 1 0 369.377 4.019 20 5 FIBDRO Cc1cc([C@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1F ZINC000538321070 1111089966 /nfs/dbraw/zinc/08/99/66/1111089966.db2.gz XWRWPSOPSVOHSB-BFUOFWGJSA-N 1 0 371.412 4.110 20 5 FIBDRO Cc1cc([C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1F ZINC000538323282 1111090590 /nfs/dbraw/zinc/09/05/90/1111090590.db2.gz MPURIJMJDUAOCP-HXUWFJFHSA-N 1 0 371.412 4.112 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCCn3ccnc3)o2)c(Cl)c1 ZINC000538376695 1111114734 /nfs/dbraw/zinc/11/47/34/1111114734.db2.gz NBAGLHLQVAJWGT-UHFFFAOYSA-N 1 0 374.828 4.275 20 5 FIBDRO C[C@@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000538589709 1111211848 /nfs/dbraw/zinc/21/18/48/1111211848.db2.gz RJNFLXBAONKLJB-IXDOHACOSA-N 1 0 369.465 4.377 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H]([NH+]4CCCC4)CC3)o2)cc1 ZINC000538719416 1111260158 /nfs/dbraw/zinc/26/01/58/1111260158.db2.gz IQLOTRRSRLNKPS-SFHVURJKSA-N 1 0 369.465 4.305 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCO[C@H](C(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000538967214 1111362944 /nfs/dbraw/zinc/36/29/44/1111362944.db2.gz CWTGXMUBVZASLB-VLIAUNLRSA-N 1 0 374.437 4.157 20 5 FIBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(-c2ccncc2)c1 ZINC000539070338 1111418706 /nfs/dbraw/zinc/41/87/06/1111418706.db2.gz JZFFRGCWHQDOEN-MRXNPFEDSA-N 1 0 363.417 4.386 20 5 FIBDRO CC[NH+](CC)C[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000461952618 1111438086 /nfs/dbraw/zinc/43/80/86/1111438086.db2.gz FVGXKBYPFIOSKM-ZDUSSCGKSA-N 1 0 359.392 4.090 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC000539328416 1111515900 /nfs/dbraw/zinc/51/59/00/1111515900.db2.gz RDVMIGYPIGAFIQ-LJQANCHMSA-N 1 0 373.428 4.358 20 5 FIBDRO Cc1ccc([C@H](CC(=O)OC(C)C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000539370382 1111533592 /nfs/dbraw/zinc/53/35/92/1111533592.db2.gz TUZVNKSGPLDJLJ-IBGZPJMESA-N 1 0 370.449 4.384 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1c(F)cncc1F ZINC000552093314 1111572614 /nfs/dbraw/zinc/57/26/14/1111572614.db2.gz CNQODFRCJGHBRY-RYUDHWBXSA-N 1 0 367.421 4.490 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCCC4(CCOCC4)C3)o2)cc1 ZINC000552278160 1111657092 /nfs/dbraw/zinc/65/70/92/1111657092.db2.gz UUTHYGJWKGMTTG-UHFFFAOYSA-N 1 0 356.422 4.247 20 5 FIBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000552911421 1111846074 /nfs/dbraw/zinc/84/60/74/1111846074.db2.gz ABKKYXNIQJMENF-HNNXBMFYSA-N 1 0 356.422 4.040 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000552904204 1111850020 /nfs/dbraw/zinc/85/00/20/1111850020.db2.gz BPQSJXRTWHBHHF-HXUWFJFHSA-N 1 0 367.449 4.118 20 5 FIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000479096582 1111947907 /nfs/dbraw/zinc/94/79/07/1111947907.db2.gz GQAMPMJHZIQBOP-KDOFPFPSSA-N 1 0 364.405 4.023 20 5 FIBDRO CC(=O)c1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000553487230 1111987552 /nfs/dbraw/zinc/98/75/52/1111987552.db2.gz OWWMOURIQCTZPW-FOIQADDNSA-N 1 0 367.449 4.120 20 5 FIBDRO CC(=O)c1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000553487232 1111987774 /nfs/dbraw/zinc/98/77/74/1111987774.db2.gz OWWMOURIQCTZPW-QRWLVFNGSA-N 1 0 367.449 4.120 20 5 FIBDRO COc1cccc([C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)N2CCCC2)c1 ZINC000480082223 1112278243 /nfs/dbraw/zinc/27/82/43/1112278243.db2.gz FHYFFZXDRYIAMO-KKSFZXQISA-N 1 0 369.465 4.091 20 5 FIBDRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)N2CCCC2)c1 ZINC000480082218 1112278314 /nfs/dbraw/zinc/27/83/14/1112278314.db2.gz FHYFFZXDRYIAMO-HRAATJIYSA-N 1 0 369.465 4.091 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000480161940 1112310152 /nfs/dbraw/zinc/31/01/52/1112310152.db2.gz KKSYWZDLVWBOII-LLVKDONJSA-N 1 0 352.337 4.056 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)cc1[N+](=O)[O-] ZINC000480459151 1112438155 /nfs/dbraw/zinc/43/81/55/1112438155.db2.gz GRXRSZJQTHDGEX-KRWDZBQOSA-N 1 0 356.470 4.143 20 5 FIBDRO COc1ccc(C2([NH2+]Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)cc1 ZINC000555420551 1112827690 /nfs/dbraw/zinc/82/76/90/1112827690.db2.gz KSGDLPFVTHDWHS-UHFFFAOYSA-N 1 0 366.339 4.401 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000555619338 1112950715 /nfs/dbraw/zinc/95/07/15/1112950715.db2.gz IWKKMPAPHGLYSW-HYXAFXHYSA-N 1 0 352.312 4.138 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)cc1 ZINC000483056080 1113433311 /nfs/dbraw/zinc/43/33/11/1113433311.db2.gz JGHAXBDGVANFCY-HXUWFJFHSA-N 1 0 356.397 4.265 20 5 FIBDRO Cc1cccc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1[N+](=O)[O-] ZINC000027141928 1113517859 /nfs/dbraw/zinc/51/78/59/1113517859.db2.gz YVRKWFUVSUPSHJ-UHFFFAOYSA-N 1 0 353.422 4.141 20 5 FIBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccncc21 ZINC000192954310 1113579554 /nfs/dbraw/zinc/57/95/54/1113579554.db2.gz VESKBPSMYAQYAL-KRWDZBQOSA-N 1 0 362.433 4.077 20 5 FIBDRO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000488465579 1113937411 /nfs/dbraw/zinc/93/74/11/1113937411.db2.gz OQCXOGPXHMWQOL-QBYUYEEZSA-N 1 0 371.485 4.288 20 5 FIBDRO CC(C)Sc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000489006265 1114034262 /nfs/dbraw/zinc/03/42/62/1114034262.db2.gz FIORAAJHZAXKOK-UHFFFAOYSA-N 1 0 360.483 4.129 20 5 FIBDRO Cc1c(NC(=O)CC[N@H+](Cc2ccco2)C2CCCC2)cccc1[N+](=O)[O-] ZINC000138780343 1114142596 /nfs/dbraw/zinc/14/25/96/1114142596.db2.gz KJMMAXOVTROSEF-UHFFFAOYSA-N 1 0 371.437 4.270 20 5 FIBDRO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000489658581 1114151419 /nfs/dbraw/zinc/15/14/19/1114151419.db2.gz KMOJANPYERCXRG-UHFFFAOYSA-N 1 0 359.495 4.000 20 5 FIBDRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)cc1 ZINC000490039214 1114206842 /nfs/dbraw/zinc/20/68/42/1114206842.db2.gz JBTIZPKKAHKUIU-WMZOPIPTSA-N 1 0 367.449 4.028 20 5 FIBDRO CC[C@@H](CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000490171810 1114229690 /nfs/dbraw/zinc/22/96/90/1114229690.db2.gz ILTLODXSYOQTJD-FPOVZHCZSA-N 1 0 353.466 4.148 20 5 FIBDRO COCCC1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000151221229 1114317406 /nfs/dbraw/zinc/31/74/06/1114317406.db2.gz OKCBHEDJHRCFLZ-UHFFFAOYSA-N 1 0 374.412 4.433 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)c2ccccc2)c1 ZINC000491060504 1114368890 /nfs/dbraw/zinc/36/88/90/1114368890.db2.gz ODLKPGXYMVLHPR-DENIHFKCSA-N 1 0 365.477 4.291 20 5 FIBDRO C[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccc(Br)cc1F ZINC000586788659 1114393594 /nfs/dbraw/zinc/39/35/94/1114393594.db2.gz VYXYGTHPNPBOAD-VIFPVBQESA-N 1 0 371.181 4.486 20 5 FIBDRO C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccc(Br)cc1F ZINC000586788658 1114393897 /nfs/dbraw/zinc/39/38/97/1114393897.db2.gz VYXYGTHPNPBOAD-SECBINFHSA-N 1 0 371.181 4.486 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000165628890 1114855630 /nfs/dbraw/zinc/85/56/30/1114855630.db2.gz MUCKQRZFVCFEDA-LJQANCHMSA-N 1 0 371.412 4.208 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC000590659563 1114960603 /nfs/dbraw/zinc/96/06/03/1114960603.db2.gz YADRDNXOJCLIOH-WBVHZDCISA-N 1 0 350.846 4.029 20 5 FIBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Br)cn1 ZINC000573386030 1115103889 /nfs/dbraw/zinc/10/38/89/1115103889.db2.gz QIDRAAJONXJIBL-MEBBXXQBSA-N 1 0 362.227 4.090 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000592145623 1115209612 /nfs/dbraw/zinc/20/96/12/1115209612.db2.gz UUCZJXVAFFIXNK-UHFFFAOYSA-N 1 0 371.412 4.040 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000574083647 1115285939 /nfs/dbraw/zinc/28/59/39/1115285939.db2.gz HFKJYGZMUIWXAD-NSHDSACASA-N 1 0 354.328 4.478 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H](C3CC3)C3CCOCC3)o2)c1 ZINC000593668664 1115338049 /nfs/dbraw/zinc/33/80/49/1115338049.db2.gz PJAZRMHYJKYKMJ-HXUWFJFHSA-N 1 0 356.422 4.150 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCC4(CCCC4)O3)cs2)c1 ZINC000594523602 1115460054 /nfs/dbraw/zinc/46/00/54/1115460054.db2.gz SEXWJSQTYBTNFA-QGZVFWFLSA-N 1 0 373.478 4.300 20 5 FIBDRO C[C@@]1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1 ZINC000574828178 1115491413 /nfs/dbraw/zinc/49/14/13/1115491413.db2.gz LOKNYTMAYVEFBP-DMUMMCEESA-N 1 0 354.454 4.058 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(F)cc1CSC ZINC000595023435 1115505029 /nfs/dbraw/zinc/50/50/29/1115505029.db2.gz YCSZGASCQRYRGN-LBPRGKRZSA-N 1 0 364.442 4.456 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000595009019 1115507795 /nfs/dbraw/zinc/50/77/95/1115507795.db2.gz ARYGJNPAXUYHLE-HUUCEWRRSA-N 1 0 366.421 4.201 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000595009388 1115508061 /nfs/dbraw/zinc/50/80/61/1115508061.db2.gz RUCNXTKBXZGAPP-IYOUNJFTSA-N 1 0 350.459 4.095 20 5 FIBDRO COC[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cccc(OC)c1 ZINC000595066616 1115509433 /nfs/dbraw/zinc/50/94/33/1115509433.db2.gz IXDSPCFFAMZMPJ-VQTJNVASSA-N 1 0 370.449 4.303 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCc1noc2ccccc12 ZINC000595047159 1115511565 /nfs/dbraw/zinc/51/15/65/1115511565.db2.gz AZBHXMIRSGHBNU-MAUKXSAKSA-N 1 0 365.433 4.280 20 5 FIBDRO COc1ccc([C@@H]2CCCN2Cc2ccc(F)cc2[N+](=O)[O-])cc1OC ZINC000595290287 1115521421 /nfs/dbraw/zinc/52/14/21/1115521421.db2.gz YIHQQPCCTCBURE-INIZCTEOSA-N 1 0 360.385 4.088 20 5 FIBDRO CC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000593019695 1115538165 /nfs/dbraw/zinc/53/81/65/1115538165.db2.gz IUHFBUJIOOUHAR-INIZCTEOSA-N 1 0 362.813 4.276 20 5 FIBDRO CC(C)(NCc1cccc(F)c1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000595512828 1115539592 /nfs/dbraw/zinc/53/95/92/1115539592.db2.gz VWKNMSYRIXSSFO-UHFFFAOYSA-N 1 0 354.328 4.360 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595746524 1115561043 /nfs/dbraw/zinc/56/10/43/1115561043.db2.gz BIYDAIYRFRSDKV-IMFGXOCKSA-N 1 0 354.450 4.062 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H]4CCCCO4)C3)co2)cc1 ZINC000595787448 1115563201 /nfs/dbraw/zinc/56/32/01/1115563201.db2.gz IXLWUKGFTZCFHL-QFBILLFUSA-N 1 0 371.437 4.031 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000597217311 1115648786 /nfs/dbraw/zinc/64/87/86/1115648786.db2.gz CCNUMFMZKYYEOH-GRFAERAESA-N 1 0 368.433 4.445 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H](CCCO)c1ccccc1 ZINC000602551966 1115710676 /nfs/dbraw/zinc/71/06/76/1115710676.db2.gz LXJRYSMNVOEGPP-MRXNPFEDSA-N 1 0 368.355 4.217 20 5 FIBDRO Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593588727 1115741693 /nfs/dbraw/zinc/74/16/93/1115741693.db2.gz LPWXLHUGNNLBRQ-OAHLLOKOSA-N 1 0 350.422 4.248 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CC[C@@H]2CC2(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000598679015 1115743917 /nfs/dbraw/zinc/74/39/17/1115743917.db2.gz CXKGKIMYJGBSJE-CXAGYDPISA-N 1 0 350.365 4.475 20 5 FIBDRO COc1ccccc1[C@@H](C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)N(C)C ZINC000061015086 1115749797 /nfs/dbraw/zinc/74/97/97/1115749797.db2.gz PPLLZNRUBNJDSP-HXUWFJFHSA-N 1 0 371.481 4.119 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@@H]3CCCOC3)o2)c(Cl)c1 ZINC000598985638 1115773320 /nfs/dbraw/zinc/77/33/20/1115773320.db2.gz WRHLBGSRVVWLRV-ZDUSSCGKSA-N 1 0 364.829 4.415 20 5 FIBDRO Cc1c(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)cccc1[N+](=O)[O-] ZINC000598977577 1115774170 /nfs/dbraw/zinc/77/41/70/1115774170.db2.gz KQXRSPOXGVVKGF-UHFFFAOYSA-N 1 0 362.451 4.210 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)c([N+](=O)[O-])cc1O ZINC000599022274 1115777437 /nfs/dbraw/zinc/77/74/37/1115777437.db2.gz JUUKJIWKECEJBI-OAHLLOKOSA-N 1 0 362.813 4.130 20 5 FIBDRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000599036778 1115780723 /nfs/dbraw/zinc/78/07/23/1115780723.db2.gz UYQKTAYQVAYXEK-JTQLQIEISA-N 1 0 373.762 4.383 20 5 FIBDRO CCC[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599059287 1115784977 /nfs/dbraw/zinc/78/49/77/1115784977.db2.gz ZZZFDBABEXGWMN-LSDHHAIUSA-N 1 0 356.348 4.026 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CC[C@H]2CCCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000599058149 1115785299 /nfs/dbraw/zinc/78/52/99/1115785299.db2.gz RRBGXWJOXUYUOF-QRWLVFNGSA-N 1 0 358.438 4.246 20 5 FIBDRO Cc1c(CN(C)Cc2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000603844489 1115820531 /nfs/dbraw/zinc/82/05/31/1115820531.db2.gz JUCCSAJOOFMKSF-UHFFFAOYSA-N 1 0 355.257 4.359 20 5 FIBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3ncccc3[N+](=O)[O-])cc2)C1 ZINC000603862714 1115823141 /nfs/dbraw/zinc/82/31/41/1115823141.db2.gz WNQJNDWEVBGWDX-HZPDHXFCSA-N 1 0 354.454 4.080 20 5 FIBDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1cc(C)ccc1C ZINC000599640610 1115833355 /nfs/dbraw/zinc/83/33/55/1115833355.db2.gz KYXQXRWRWYIFFX-QGZVFWFLSA-N 1 0 355.438 4.199 20 5 FIBDRO COc1ccc(C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000604012533 1115840911 /nfs/dbraw/zinc/84/09/11/1115840911.db2.gz NGQWBNPROOYWSZ-UHFFFAOYSA-N 1 0 356.422 4.037 20 5 FIBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521401 1115867130 /nfs/dbraw/zinc/86/71/30/1115867130.db2.gz HXOQFKNHUNIWON-NQIIRXRSSA-N 1 0 370.449 4.073 20 5 FIBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521753 1115867242 /nfs/dbraw/zinc/86/72/42/1115867242.db2.gz XMOVFQAGRCKMHI-RXVVDRJESA-N 1 0 370.449 4.073 20 5 FIBDRO CCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000604492863 1115867690 /nfs/dbraw/zinc/86/76/90/1115867690.db2.gz KXEQCAQAFIVMBD-GOSISDBHSA-N 1 0 367.449 4.241 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000608781859 1116128407 /nfs/dbraw/zinc/12/84/07/1116128407.db2.gz PRQIUCGXEFUIOL-UHFFFAOYSA-N 1 0 368.355 4.345 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC2(CCCCC2)CC1 ZINC000608833580 1116130762 /nfs/dbraw/zinc/13/07/62/1116130762.db2.gz SZZQIKGYEVUIMX-UHFFFAOYSA-N 1 0 359.470 4.278 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3COc4ccccc4C3)s2)cc1 ZINC000608836940 1116131136 /nfs/dbraw/zinc/13/11/36/1116131136.db2.gz BAOKEJGKWHOBKP-INIZCTEOSA-N 1 0 366.442 4.417 20 5 FIBDRO Cc1c(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cccc1[N+](=O)[O-] ZINC000608977561 1116139280 /nfs/dbraw/zinc/13/92/80/1116139280.db2.gz QVUMDPUHKIXQQQ-GOSISDBHSA-N 1 0 354.406 4.012 20 5 FIBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])ccc21 ZINC000456313252 1116178261 /nfs/dbraw/zinc/17/82/61/1116178261.db2.gz LEBOFFWFOIPSJM-SFHVURJKSA-N 1 0 367.449 4.060 20 5 FIBDRO CN1Cc2ccccc2[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000534531109 1116210972 /nfs/dbraw/zinc/21/09/72/1116210972.db2.gz MYHPVLBSTHHHLQ-HXUWFJFHSA-N 1 0 363.417 4.131 20 5 FIBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc2ccccc2c2cccnc12 ZINC000456706155 1116213113 /nfs/dbraw/zinc/21/31/13/1116213113.db2.gz VBQOINALWNNRLE-UHFFFAOYSA-N 1 0 359.473 4.135 20 5 FIBDRO C[C@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000491228786 1116226077 /nfs/dbraw/zinc/22/60/77/1116226077.db2.gz SHXZGAFUMYAYMG-LPHOPBHVSA-N 1 0 371.456 4.219 20 5 FIBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907090 1116346992 /nfs/dbraw/zinc/34/69/92/1116346992.db2.gz LJQPJTWXTPTORL-IAGOWNOFSA-N 1 0 361.467 4.356 20 5 FIBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCC2 ZINC000089909912 1116351858 /nfs/dbraw/zinc/35/18/58/1116351858.db2.gz NFJULJVCPGNJHT-QZTJIDSGSA-N 1 0 371.437 4.029 20 5 FIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000539654552 1116359018 /nfs/dbraw/zinc/35/90/18/1116359018.db2.gz IESHRJRILIYBIW-ZDUSSCGKSA-N 1 0 373.840 4.244 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000539850147 1116390777 /nfs/dbraw/zinc/39/07/77/1116390777.db2.gz DYAQDNLTHLGWBK-KRWDZBQOSA-N 1 0 369.465 4.163 20 5 FIBDRO CCc1ccc([C@H]([NH2+]C[C@](C)(OC)C2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000462821849 1117796431 /nfs/dbraw/zinc/79/64/31/1117796431.db2.gz RKGFQCKZZMWMFJ-UXHICEINSA-N 1 0 358.438 4.244 20 5 FIBDRO CCc1ccc([C@H]([NH2+][C@H]2CCO[C@H](C3CC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000462832419 1117802329 /nfs/dbraw/zinc/80/23/29/1117802329.db2.gz HMGGRSGZCKKMGJ-ORYQWCPZSA-N 1 0 370.449 4.387 20 5 FIBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1cccc(F)c1 ZINC000462916826 1117859520 /nfs/dbraw/zinc/85/95/20/1117859520.db2.gz KDKQZQBCPZUOKR-OAHLLOKOSA-N 1 0 369.343 4.050 20 5 FIBDRO Cc1cnc(CC[NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)nc1 ZINC000540151704 1117905987 /nfs/dbraw/zinc/90/59/87/1117905987.db2.gz SWHQUFBZKGDHPC-CQSZACIVSA-N 1 0 368.462 4.315 20 5 FIBDRO Cc1cnc(CC[NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)nc1 ZINC000540151701 1117906292 /nfs/dbraw/zinc/90/62/92/1117906292.db2.gz SWHQUFBZKGDHPC-AWEZNQCLSA-N 1 0 368.462 4.315 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CCCOc3cc(C)c(C)cc32)cc1[N+](=O)[O-] ZINC000540189976 1117920945 /nfs/dbraw/zinc/92/09/45/1117920945.db2.gz YLGGJFVQBMLOJP-KRWDZBQOSA-N 1 0 356.422 4.224 20 5 FIBDRO Cc1cnc(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000463054817 1117949741 /nfs/dbraw/zinc/94/97/41/1117949741.db2.gz HRNDULJJYHTJID-HNNXBMFYSA-N 1 0 354.454 4.142 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000463096288 1117964205 /nfs/dbraw/zinc/96/42/05/1117964205.db2.gz CGNIQVYUEJOFGS-UWJYYQICSA-N 1 0 352.434 4.242 20 5 FIBDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000540324142 1117991646 /nfs/dbraw/zinc/99/16/46/1117991646.db2.gz INTMPFUIRZAJNX-OAHLLOKOSA-N 1 0 361.829 4.236 20 5 FIBDRO CCOc1ccccc1[C@H](CC)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000540353489 1117998792 /nfs/dbraw/zinc/99/87/92/1117998792.db2.gz DLIGMUMLXAFGCI-KDOFPFPSSA-N 1 0 371.437 4.061 20 5 FIBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C)cc1 ZINC000540362169 1118014538 /nfs/dbraw/zinc/01/45/38/1118014538.db2.gz INAGCQSWEWXSJK-MRXNPFEDSA-N 1 0 361.829 4.236 20 5 FIBDRO CC[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000463207312 1118021219 /nfs/dbraw/zinc/02/12/19/1118021219.db2.gz RVNYADMCUFYBOD-QFIPXVFZSA-N 1 0 367.493 4.343 20 5 FIBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1-c1ccc(Cl)cc1 ZINC000540387423 1118022933 /nfs/dbraw/zinc/02/29/33/1118022933.db2.gz AHOPETMCUPTPNO-AWEZNQCLSA-N 1 0 370.840 4.463 20 5 FIBDRO C[C@@H]1C[C@H]1[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000540522495 1118106562 /nfs/dbraw/zinc/10/65/62/1118106562.db2.gz SXUQKVJBFSSEMJ-KPAZRMRSSA-N 1 0 373.840 4.174 20 5 FIBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000443346990 1118107971 /nfs/dbraw/zinc/10/79/71/1118107971.db2.gz QGEURXYWBVCPDC-SNVBAGLBSA-N 1 0 371.256 4.148 20 5 FIBDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000540609475 1118147928 /nfs/dbraw/zinc/14/79/28/1118147928.db2.gz MFYDDUXBBRLJMS-CQSZACIVSA-N 1 0 368.412 4.028 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1)C(C)C ZINC000541070514 1118369097 /nfs/dbraw/zinc/36/90/97/1118369097.db2.gz JBBFSOJVCATMGT-UHFFFAOYSA-N 1 0 371.437 4.086 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000541566265 1118557147 /nfs/dbraw/zinc/55/71/47/1118557147.db2.gz JITJHYFZAPSJEH-QWHCGFSZSA-N 1 0 371.462 4.495 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000541566263 1118557239 /nfs/dbraw/zinc/55/72/39/1118557239.db2.gz JITJHYFZAPSJEH-OLZOCXBDSA-N 1 0 371.462 4.495 20 5 FIBDRO CC(C)C[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000541625686 1118587504 /nfs/dbraw/zinc/58/75/04/1118587504.db2.gz IIKYCCKIBLURML-CJNGLKHVSA-N 1 0 361.467 4.360 20 5 FIBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000541626909 1118588056 /nfs/dbraw/zinc/58/80/56/1118588056.db2.gz ISNKUJLEEOKQQO-QWRGUYRKSA-N 1 0 367.858 4.378 20 5 FIBDRO Cc1ccc(CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]2CCCO2)cc1 ZINC000464776363 1118690667 /nfs/dbraw/zinc/69/06/67/1118690667.db2.gz NIECJKSDNRYFJM-OAQYLSRUSA-N 1 0 354.450 4.127 20 5 FIBDRO C[C@H](CCc1ccccc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464784043 1118694048 /nfs/dbraw/zinc/69/40/48/1118694048.db2.gz BMRAACJIFFVQQB-QGZVFWFLSA-N 1 0 354.450 4.459 20 5 FIBDRO CC(C)([NH2+]Cc1cnc(-c2ccncc2)s1)c1ccccc1[N+](=O)[O-] ZINC000491994245 1119000991 /nfs/dbraw/zinc/00/09/91/1119000991.db2.gz DDTLMCZEWSLBML-UHFFFAOYSA-N 1 0 354.435 4.138 20 5 FIBDRO CCOc1cc(C[NH+]2CCC(c3ccc(O)cc3)CC2)ccc1[N+](=O)[O-] ZINC000492459741 1119101751 /nfs/dbraw/zinc/10/17/51/1119101751.db2.gz HCVJBUAQODHDDN-UHFFFAOYSA-N 1 0 356.422 4.079 20 5 FIBDRO CCOc1cc(C[NH2+][C@@H](c2ccc(OC)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000492580529 1119136019 /nfs/dbraw/zinc/13/60/19/1119136019.db2.gz DYZLPTCWKHERPP-HXUWFJFHSA-N 1 0 356.422 4.243 20 5 FIBDRO CCOc1cc(C[NH+]2CCC(N(C)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000492647279 1119155021 /nfs/dbraw/zinc/15/50/21/1119155021.db2.gz DFJXTAORECFFLH-UHFFFAOYSA-N 1 0 369.465 4.094 20 5 FIBDRO CCOc1cc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492748963 1119177954 /nfs/dbraw/zinc/17/79/54/1119177954.db2.gz NGAZDXZJSPMIFD-HKUYNNGSSA-N 1 0 370.449 4.251 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000492756592 1119184704 /nfs/dbraw/zinc/18/47/04/1119184704.db2.gz JZOLHLUOSYLVOS-HNNXBMFYSA-N 1 0 355.438 4.054 20 5 FIBDRO CCC1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000493225626 1119352260 /nfs/dbraw/zinc/35/22/60/1119352260.db2.gz GUJVXIXZDLFNJR-FQEVSTJZSA-N 1 0 354.450 4.481 20 5 FIBDRO CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000761510007 1119404191 /nfs/dbraw/zinc/40/41/91/1119404191.db2.gz ABNRFTYLLUOZHH-UHFFFAOYSA-N 1 0 373.884 4.345 20 5 FIBDRO CCC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000493240667 1119431352 /nfs/dbraw/zinc/43/13/52/1119431352.db2.gz WLXFCBWRYBZCJN-CSMYWGQOSA-N 1 0 352.862 4.274 20 5 FIBDRO CCOc1cc(C[N@H+](CC)Cc2c[nH]c3ccccc23)ccc1[N+](=O)[O-] ZINC000493677944 1119489688 /nfs/dbraw/zinc/48/96/88/1119489688.db2.gz KWGHKVMRXMFVGH-UHFFFAOYSA-N 1 0 353.422 4.497 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2cscn2)ccc1Oc1ccc(F)cc1 ZINC000130258307 1119526042 /nfs/dbraw/zinc/52/60/42/1119526042.db2.gz FZDZSRNTUCEMGF-UHFFFAOYSA-N 1 0 373.409 4.315 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc(C(F)(F)F)c1 ZINC000494498583 1119880981 /nfs/dbraw/zinc/88/09/81/1119880981.db2.gz WCUXSFDURWWBNA-ARFHVFGLSA-N 1 0 370.371 4.051 20 5 FIBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C12CCC2 ZINC000494514756 1119884688 /nfs/dbraw/zinc/88/46/88/1119884688.db2.gz XGHRQEYHSWFAGV-LSDHHAIUSA-N 1 0 358.360 4.051 20 5 FIBDRO CC(C)[C@H](O)C1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000494968822 1120407737 /nfs/dbraw/zinc/40/77/37/1120407737.db2.gz LGLHXQWBGDKJJB-PMACEKPBSA-N 1 0 354.450 4.071 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCc2cnc(C3CC3)nc2)c2ccccc2)c1 ZINC000494987267 1120412019 /nfs/dbraw/zinc/41/20/19/1120412019.db2.gz IRRHDKHZGRYBKU-NRFANRHFSA-N 1 0 374.444 4.184 20 5 FIBDRO Cc1nn(C[N@@H+]2CCC[C@H]2c2cc(C)ccc2C)c2ncc([N+](=O)[O-])cc12 ZINC000761837449 1120528142 /nfs/dbraw/zinc/52/81/42/1120528142.db2.gz HZTSCBZBZBXQRV-IBGZPJMESA-N 1 0 365.437 4.059 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000542555797 1120785852 /nfs/dbraw/zinc/78/58/52/1120785852.db2.gz GFTZQPKRIPKPIJ-GXFFZTMASA-N 1 0 367.858 4.378 20 5 FIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2ccnc2)cc1 ZINC000495433108 1120808417 /nfs/dbraw/zinc/80/84/17/1120808417.db2.gz NBLBFAWYCFFBBR-AWEZNQCLSA-N 1 0 370.840 4.327 20 5 FIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000193465856 1120916952 /nfs/dbraw/zinc/91/69/52/1120916952.db2.gz BNAUBRAYAXHQTI-UHFFFAOYSA-N 1 0 353.422 4.060 20 5 FIBDRO C[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCc2sccc2C1 ZINC000301081256 1120974801 /nfs/dbraw/zinc/97/48/01/1120974801.db2.gz GMXJUIZYRNADHY-ZDUSSCGKSA-N 1 0 368.462 4.063 20 5 FIBDRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000153689375 1121026347 /nfs/dbraw/zinc/02/63/47/1121026347.db2.gz HYYBIVNQNJYSSZ-ZNOIYHFQSA-N 1 0 356.422 4.009 20 5 FIBDRO Cc1cnc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000301445748 1121268414 /nfs/dbraw/zinc/26/84/14/1121268414.db2.gz NXKIOKAYXSOZPT-UHFFFAOYSA-N 1 0 360.845 4.028 20 5 FIBDRO CC[NH+](CC)Cc1ccccc1CNc1cccc([N+](=O)[O-])c1C(C)=O ZINC000763206390 1121275845 /nfs/dbraw/zinc/27/58/45/1121275845.db2.gz HRZINYZQZUIZMB-UHFFFAOYSA-N 1 0 355.438 4.251 20 5 FIBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)[NH+]2CCCC2)o1 ZINC000301143854 1121469104 /nfs/dbraw/zinc/46/91/04/1121469104.db2.gz KAMRADLGZGUFDJ-IBGZPJMESA-N 1 0 366.421 4.293 20 5 FIBDRO CCC[C@H]([NH2+]Cc1ccc(C(=O)OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000090797714 1121548588 /nfs/dbraw/zinc/54/85/88/1121548588.db2.gz HXQULTIVWIKLRG-SFHVURJKSA-N 1 0 372.421 4.021 20 5 FIBDRO COc1ccc(OCC[NH2+][C@H](CC(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001168594470 1121747306 /nfs/dbraw/zinc/74/73/06/1121747306.db2.gz RWRBGQKSXFFVNL-GOSISDBHSA-N 1 0 358.438 4.359 20 5 FIBDRO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 ZINC000765779200 1121980867 /nfs/dbraw/zinc/98/08/67/1121980867.db2.gz JUOBDHJDCPJKSN-OAHLLOKOSA-N 1 0 357.429 4.096 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000917082341 1122082165 /nfs/dbraw/zinc/08/21/65/1122082165.db2.gz QGLPCCVKSHJELP-NXEZZACHSA-N 1 0 363.767 4.306 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCCCc2nc(C)cs2)cc1[N+](=O)[O-] ZINC000153530308 1122119182 /nfs/dbraw/zinc/11/91/82/1122119182.db2.gz LPQVMZOTAMBZOQ-CQSZACIVSA-N 1 0 363.483 4.432 20 5 FIBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000917094633 1122123137 /nfs/dbraw/zinc/12/31/37/1122123137.db2.gz ZWIPNYBMFJXNRY-UHFFFAOYSA-N 1 0 363.417 4.244 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]CC2(c3ccccc3)CCOCC2)cccc1[N+](=O)[O-] ZINC000153612101 1122244638 /nfs/dbraw/zinc/24/46/38/1122244638.db2.gz RXPKVSKRDPDEJO-QGZVFWFLSA-N 1 0 354.450 4.302 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000542691648 1122286956 /nfs/dbraw/zinc/28/69/56/1122286956.db2.gz UDGPSYNHUFKRTN-YLJYHZDGSA-N 1 0 374.412 4.143 20 5 FIBDRO COc1ccc(C[NH2+]CC2(c3ccccc3OC)CCCC2)cc1[N+](=O)[O-] ZINC000609287612 1122823806 /nfs/dbraw/zinc/82/38/06/1122823806.db2.gz DDXUVBKAUNNNJA-UHFFFAOYSA-N 1 0 370.449 4.214 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOc3ccc(F)c(F)c3)o2)cc1 ZINC000609288296 1122830601 /nfs/dbraw/zinc/83/06/01/1122830601.db2.gz PPVTUVRQTCTEPN-UHFFFAOYSA-N 1 0 374.343 4.302 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000154972439 1122994190 /nfs/dbraw/zinc/99/41/90/1122994190.db2.gz DNMOJRXEIORWFA-LBPRGKRZSA-N 1 0 369.343 4.090 20 5 FIBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000194931163 1123018250 /nfs/dbraw/zinc/01/82/50/1123018250.db2.gz RHDJLHZBYJCIRO-IBGZPJMESA-N 1 0 359.426 4.031 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000556896058 1123173598 /nfs/dbraw/zinc/17/35/98/1123173598.db2.gz BORGBIZQXUICDF-LJQANCHMSA-N 1 0 369.465 4.027 20 5 FIBDRO CCC1(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000556890763 1123176304 /nfs/dbraw/zinc/17/63/04/1123176304.db2.gz SANIZXNKYQCYFB-SFHVURJKSA-N 1 0 356.470 4.368 20 5 FIBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1[N+](=O)[O-] ZINC000557027668 1123321904 /nfs/dbraw/zinc/32/19/04/1123321904.db2.gz SPWUHAMQOWDMGD-INIZCTEOSA-N 1 0 369.469 4.093 20 5 FIBDRO Cc1c(NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cccc1[N+](=O)[O-] ZINC000609451552 1123718062 /nfs/dbraw/zinc/71/80/62/1123718062.db2.gz GLBCDRCXKZVRDP-KRWDZBQOSA-N 1 0 374.485 4.069 20 5 FIBDRO COc1ccc(C[NH2+][C@H](c2cccnc2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000609586662 1123759800 /nfs/dbraw/zinc/75/98/00/1123759800.db2.gz XCHWJAOAQYKGAZ-FQEVSTJZSA-N 1 0 355.438 4.410 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCOC3CCCCC3)cs2)c1 ZINC000609598595 1123763767 /nfs/dbraw/zinc/76/37/67/1123763767.db2.gz CGGLDHZWNWMVDV-UHFFFAOYSA-N 1 0 361.467 4.157 20 5 FIBDRO CC[C@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000609625695 1123773837 /nfs/dbraw/zinc/77/38/37/1123773837.db2.gz PBGDEOTZNFSXNI-IBGZPJMESA-N 1 0 367.449 4.241 20 5 FIBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC000609855613 1123861157 /nfs/dbraw/zinc/86/11/57/1123861157.db2.gz KSGNPRSAGTYLQV-UHFFFAOYSA-N 1 0 361.829 4.342 20 5 FIBDRO C[C@@H]([NH2+]C1(CNc2ccc(F)cc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000301248790 1123945670 /nfs/dbraw/zinc/94/56/70/1123945670.db2.gz CJAXINBSIKRSFY-OAHLLOKOSA-N 1 0 373.428 4.046 20 5 FIBDRO Cn1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(-c2cccs2)n1 ZINC000179694792 1124032433 /nfs/dbraw/zinc/03/24/33/1124032433.db2.gz WYOKBPFWFZTRDJ-UHFFFAOYSA-N 1 0 368.462 4.221 20 5 FIBDRO Cn1cc(C[NH2+]Cc2ccc3ccccc3c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237779112 1124072536 /nfs/dbraw/zinc/07/25/36/1124072536.db2.gz DBAZZEYBMRUCRR-UHFFFAOYSA-N 1 0 372.428 4.438 20 5 FIBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)cc1 ZINC000765848144 1124151734 /nfs/dbraw/zinc/15/17/34/1124151734.db2.gz GAVCTYRZYYSVBI-JKSUJKDBSA-N 1 0 367.232 4.212 20 5 FIBDRO Cc1ccc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)cc1[N+](=O)[O-] ZINC000237877993 1124152108 /nfs/dbraw/zinc/15/21/08/1124152108.db2.gz SHRKUPLVLOAKCQ-UHFFFAOYSA-N 1 0 368.433 4.234 20 5 FIBDRO Cc1cc(C)c(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000237907576 1124176323 /nfs/dbraw/zinc/17/63/23/1124176323.db2.gz SNLVLGNXMFQIPU-UHFFFAOYSA-N 1 0 364.449 4.210 20 5 FIBDRO CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765850322 1124203270 /nfs/dbraw/zinc/20/32/70/1124203270.db2.gz XKCMGZREZRACIS-KUHUBIRLSA-N 1 0 360.479 4.480 20 5 FIBDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000542820454 1124390560 /nfs/dbraw/zinc/39/05/60/1124390560.db2.gz ZLENPFJIWVCIMF-ZBFHGGJFSA-N 1 0 374.412 4.119 20 5 FIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2c(F)cccc2N2CCCC2)cc1 ZINC000462763356 1124502056 /nfs/dbraw/zinc/50/20/56/1124502056.db2.gz OIMHFSPRUBHDTK-UHFFFAOYSA-N 1 0 371.456 4.447 20 5 FIBDRO CCC[C@H]([NH2+]Cc1ccc(OC)c(NC(C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000131978981 1125169524 /nfs/dbraw/zinc/16/95/24/1125169524.db2.gz ZPYHGHCXMOQRFC-SFHVURJKSA-N 1 0 371.437 4.193 20 5 FIBDRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000077429325 1125199983 /nfs/dbraw/zinc/19/99/83/1125199983.db2.gz GPZPLEKUXRRTJK-NWDGAFQWSA-N 1 0 352.818 4.005 20 5 FIBDRO CC1CC[NH+](C2CCC(Nc3ncc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000301759483 1125209155 /nfs/dbraw/zinc/20/91/55/1125209155.db2.gz BRPDPPNCSHUGGT-UHFFFAOYSA-N 1 0 352.866 4.098 20 5 FIBDRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255197751 1125221020 /nfs/dbraw/zinc/22/10/20/1125221020.db2.gz ASYUBDWHJKSHSX-JNLARVDPSA-N 1 0 358.463 4.038 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC23CCOCC3)ccc1Oc1ccc(F)cc1 ZINC000618614656 1125223189 /nfs/dbraw/zinc/22/31/89/1125223189.db2.gz ONLJTFOGWNWDAC-UHFFFAOYSA-N 1 0 372.396 4.281 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000182160267 1125271226 /nfs/dbraw/zinc/27/12/26/1125271226.db2.gz WXWIKYDFAOQLDM-OEPMTFCVSA-N 1 0 362.376 4.362 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000542997104 1125278563 /nfs/dbraw/zinc/27/85/63/1125278563.db2.gz MMYBHQQJTIAHFO-HNNXBMFYSA-N 1 0 350.422 4.155 20 5 FIBDRO CN1Cc2ccccc2[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000618986730 1125411408 /nfs/dbraw/zinc/41/14/08/1125411408.db2.gz RMNLDHXAXXEIOQ-VQTJNVASSA-N 1 0 351.450 4.094 20 5 FIBDRO Cc1cccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000109102602 209298285 /nfs/dbraw/zinc/29/82/85/209298285.db2.gz LPRPWUWTAUQKLC-HXUWFJFHSA-N 1 0 367.449 4.377 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@H]1OC ZINC000568543349 568048821 /nfs/dbraw/zinc/04/88/21/568048821.db2.gz QULULNCYXKVHPB-LDQXTDLNSA-N 1 0 370.449 4.044 20 5 FIBDRO CC[C@@H](CCO)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000236947566 568223517 /nfs/dbraw/zinc/22/35/17/568223517.db2.gz VMNXCNOLCZNXFH-HNNXBMFYSA-N 1 0 364.829 4.291 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000569019691 568272594 /nfs/dbraw/zinc/27/25/94/568272594.db2.gz NJQMDOCFZIJVPS-SXLOBPIMSA-N 1 0 356.397 4.231 20 5 FIBDRO Cc1cccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000569386202 568400108 /nfs/dbraw/zinc/40/01/08/568400108.db2.gz WFRQKJITAOBGRX-FUHWJXTLSA-N 1 0 367.449 4.028 20 5 FIBDRO COc1ccc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(F)c1 ZINC000570168486 568455259 /nfs/dbraw/zinc/45/52/59/568455259.db2.gz RQQLPRBLRLIFBU-UHFFFAOYSA-N 1 0 358.291 4.051 20 5 FIBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])c(C(C)=O)c1)c1ccsc1 ZINC000570420354 568475505 /nfs/dbraw/zinc/47/55/05/568475505.db2.gz YWWLGRAUTHNNTL-GOSISDBHSA-N 1 0 361.467 4.354 20 5 FIBDRO COCC1([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCC1 ZINC000570640249 568492870 /nfs/dbraw/zinc/49/28/70/568492870.db2.gz BHRNUXOPKXNVMN-UHFFFAOYSA-N 1 0 360.385 4.185 20 5 FIBDRO C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000570765198 568523483 /nfs/dbraw/zinc/52/34/83/568523483.db2.gz XJHNPVJULNIZFX-KAMYIIQDSA-N 1 0 362.376 4.432 20 5 FIBDRO Cc1ccc(Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c([N+](=O)[O-])c1 ZINC000301836702 1125569921 /nfs/dbraw/zinc/56/99/21/1125569921.db2.gz XNIPBVNVIFSMQM-UHFFFAOYSA-N 1 0 372.444 4.316 20 5 FIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000046156093 1079586521 /nfs/dbraw/zinc/58/65/21/1079586521.db2.gz JMYUHQWHTUJXGP-MRXNPFEDSA-N 1 0 367.449 4.008 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000579733501 1079594477 /nfs/dbraw/zinc/59/44/77/1079594477.db2.gz JWMBDVYOLMHTEJ-LJQANCHMSA-N 1 0 370.424 4.059 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCCOc4ccccc43)CC2)cc1 ZINC000133690073 1079785579 /nfs/dbraw/zinc/78/55/79/1079785579.db2.gz QJLKVOZZVCKBSF-HXUWFJFHSA-N 1 0 367.449 4.067 20 5 FIBDRO COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000157513586 1079923405 /nfs/dbraw/zinc/92/34/05/1079923405.db2.gz BGXKZBUBNJGSNJ-SJORKVTESA-N 1 0 369.465 4.089 20 5 FIBDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2cccc(OC)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157556256 1080014342 /nfs/dbraw/zinc/01/43/42/1080014342.db2.gz SNJIUOOAIYHLPW-IIBYNOLFSA-N 1 0 369.465 4.171 20 5 FIBDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2cccc(OC)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157555961 1080014570 /nfs/dbraw/zinc/01/45/70/1080014570.db2.gz SNJIUOOAIYHLPW-HRAATJIYSA-N 1 0 369.465 4.171 20 5 FIBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)C1 ZINC000047283443 1080222625 /nfs/dbraw/zinc/22/26/25/1080222625.db2.gz OBRQCMAOFZKTKW-HNNXBMFYSA-N 1 0 353.422 4.079 20 5 FIBDRO C[C@@H](C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)N(C)C ZINC000609223250 1080310642 /nfs/dbraw/zinc/31/06/42/1080310642.db2.gz AKLZLVAZCPGVNV-ZDUSSCGKSA-N 1 0 363.845 4.080 20 5 FIBDRO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1CCCCC1 ZINC001167147704 1080730685 /nfs/dbraw/zinc/73/06/85/1080730685.db2.gz ZSKQUCXUPQKXDH-UHFFFAOYSA-N 1 0 367.877 4.479 20 5 FIBDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000468000480 1080734100 /nfs/dbraw/zinc/73/41/00/1080734100.db2.gz OTBYQOONXFAPSA-ZDUSSCGKSA-N 1 0 363.255 4.121 20 5 FIBDRO CC(C)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001167188285 1080813044 /nfs/dbraw/zinc/81/30/44/1080813044.db2.gz ZXXODXWYBFQKGN-UHFFFAOYSA-N 1 0 373.409 4.183 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001167256543 1080915871 /nfs/dbraw/zinc/91/58/71/1080915871.db2.gz ZHYDIAWHRLPRGV-OALUTQOASA-N 1 0 359.514 4.408 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)ccc1Oc1ccc(F)cc1 ZINC000610271083 1080993536 /nfs/dbraw/zinc/99/35/36/1080993536.db2.gz XVXYFSFFTIIJBU-PBHICJAKSA-N 1 0 374.412 4.167 20 5 FIBDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001167298104 1081188886 /nfs/dbraw/zinc/18/88/86/1081188886.db2.gz FDCMFTXCRBJOLQ-CYBMUJFWSA-N 1 0 364.833 4.309 20 5 FIBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCCCCCC1 ZINC001167302365 1081217134 /nfs/dbraw/zinc/21/71/34/1081217134.db2.gz ORGZIZVHMSMKHQ-UHFFFAOYSA-N 1 0 351.422 4.107 20 5 FIBDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177529349 1081227022 /nfs/dbraw/zinc/22/70/22/1081227022.db2.gz LHXMTJKMHJIUJJ-KBXCAEBGSA-N 1 0 364.405 4.023 20 5 FIBDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000177533156 1081227290 /nfs/dbraw/zinc/22/72/90/1081227290.db2.gz IBJIODAFLRSHSQ-KSSFIOAISA-N 1 0 364.405 4.023 20 5 FIBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001167306592 1081243460 /nfs/dbraw/zinc/24/34/60/1081243460.db2.gz HRRZIYMUOUMRHS-GOSISDBHSA-N 1 0 370.449 4.252 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](C)COc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC001648898439 1081354684 /nfs/dbraw/zinc/35/46/84/1081354684.db2.gz OLIONKXKDLIPTB-HNNXBMFYSA-N 1 0 372.465 4.458 20 5 FIBDRO C[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379656997 1081851426 /nfs/dbraw/zinc/85/14/26/1081851426.db2.gz RDPUZLQPCXDZMT-YJBOKZPZSA-N 1 0 373.884 4.391 20 5 FIBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC000119311227 1082105009 /nfs/dbraw/zinc/10/50/09/1082105009.db2.gz KOCMENLCLOPPSL-YRNVUSSQSA-N 1 0 365.477 4.204 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000610468549 1082237794 /nfs/dbraw/zinc/23/77/94/1082237794.db2.gz XXEPKEGIJZCZIT-SFHVURJKSA-N 1 0 369.465 4.065 20 5 FIBDRO CC(=O)c1cc(NCC[C@H](C)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000561263895 1082244053 /nfs/dbraw/zinc/24/40/53/1082244053.db2.gz GKVLBCZLKOQZGZ-HNNXBMFYSA-N 1 0 355.438 4.120 20 5 FIBDRO C[C@@H](c1cccs1)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000157798585 1082333132 /nfs/dbraw/zinc/33/31/32/1082333132.db2.gz WDKOYGDQVPIMJF-ZDUSSCGKSA-N 1 0 356.451 4.250 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000156842280 1082344456 /nfs/dbraw/zinc/34/44/56/1082344456.db2.gz CPUIZVIYVRGZNG-CVEARBPZSA-N 1 0 367.449 4.442 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000156843001 1082345641 /nfs/dbraw/zinc/34/56/41/1082345641.db2.gz AJIYJWXGLNZXPY-JKSUJKDBSA-N 1 0 367.449 4.442 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000156843126 1082345928 /nfs/dbraw/zinc/34/59/28/1082345928.db2.gz AJIYJWXGLNZXPY-HOTGVXAUSA-N 1 0 367.449 4.442 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1F ZINC000126581732 1082672281 /nfs/dbraw/zinc/67/22/81/1082672281.db2.gz VYLRLTNIDZVGKG-KGLIPLIRSA-N 1 0 359.401 4.029 20 5 FIBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132001 1082736100 /nfs/dbraw/zinc/73/61/00/1082736100.db2.gz HXOQFKNHUNIWON-GHTZIAJQSA-N 1 0 370.449 4.073 20 5 FIBDRO COc1cc(C[N@H+](C)CC2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000510448754 1082797420 /nfs/dbraw/zinc/79/74/20/1082797420.db2.gz YFTLLCYGUAMERO-UHFFFAOYSA-N 1 0 356.422 4.024 20 5 FIBDRO O=[N+]([O-])c1cccc(C[N@H+](CCn2ccnc2)Cc2cccc(Cl)c2)c1 ZINC000581753360 1082867993 /nfs/dbraw/zinc/86/79/93/1082867993.db2.gz UOADTSSYKGPJLN-UHFFFAOYSA-N 1 0 370.840 4.147 20 5 FIBDRO COc1ccc(CCC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1OC ZINC000065014350 1082953879 /nfs/dbraw/zinc/95/38/79/1082953879.db2.gz HCPZXNYTOSHVRS-UHFFFAOYSA-N 1 0 372.465 4.458 20 5 FIBDRO CC[C@@H]([NH2+]C1CCN(c2ccccc2OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178231516 1082992848 /nfs/dbraw/zinc/99/28/48/1082992848.db2.gz UZBUSFMQOXFPHE-LJQANCHMSA-N 1 0 369.465 4.313 20 5 FIBDRO COCC1=CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000187615603 1083063835 /nfs/dbraw/zinc/06/38/35/1083063835.db2.gz DLHCBANCICSHLW-UHFFFAOYSA-N 1 0 362.813 4.287 20 5 FIBDRO C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1cccc(F)c1 ZINC000610582291 1083213110 /nfs/dbraw/zinc/21/31/10/1083213110.db2.gz BMMGTKLCKQXPQU-HXPMCKFVSA-N 1 0 355.369 4.458 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430877460 1083220044 /nfs/dbraw/zinc/22/00/44/1083220044.db2.gz YGGHFAHHNHNQMO-RMKNXTFCSA-N 1 0 374.444 4.143 20 5 FIBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1nc2ccc(Cl)cc2n1C ZINC000548394928 1083224673 /nfs/dbraw/zinc/22/46/73/1083224673.db2.gz KVJZCOPKMBLBBS-LBPRGKRZSA-N 1 0 358.829 4.028 20 5 FIBDRO CC[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000179479512 1083475992 /nfs/dbraw/zinc/47/59/92/1083475992.db2.gz FLHGELKCJGSYKK-KBXCAEBGSA-N 1 0 366.421 4.489 20 5 FIBDRO Cc1c(C[N@@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)cccc1[N+](=O)[O-] ZINC000614235844 1083579095 /nfs/dbraw/zinc/57/90/95/1083579095.db2.gz KJYQAZKABGOJAI-QGZVFWFLSA-N 1 0 364.449 4.165 20 5 FIBDRO CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000535721653 1083609217 /nfs/dbraw/zinc/60/92/17/1083609217.db2.gz RQMNLZUKFFTYJO-ZDUSSCGKSA-N 1 0 361.829 4.097 20 5 FIBDRO CCOc1ccccc1[C@H](CC)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179755390 1083617037 /nfs/dbraw/zinc/61/70/37/1083617037.db2.gz SCSCNJKFLLRXOG-INIZCTEOSA-N 1 0 371.437 4.063 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)s1 ZINC000535799213 1083674490 /nfs/dbraw/zinc/67/44/90/1083674490.db2.gz HAEWTTXBRLNZOP-RHSMWYFYSA-N 1 0 358.463 4.324 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)o2)cc1 ZINC000535809811 1083698498 /nfs/dbraw/zinc/69/84/98/1083698498.db2.gz JUXGRVNFKIFBJB-IAGOWNOFSA-N 1 0 356.422 4.103 20 5 FIBDRO C[C@H](N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000610809706 1083719274 /nfs/dbraw/zinc/71/92/74/1083719274.db2.gz PVVYUSJOUKHGOU-LAUBAEHRSA-N 1 0 353.466 4.473 20 5 FIBDRO Cc1cc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000458265212 1083782409 /nfs/dbraw/zinc/78/24/09/1083782409.db2.gz NOXUUVXFPXVZTL-UHFFFAOYSA-N 1 0 361.829 4.179 20 5 FIBDRO CC(C)[C@](C)(O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000236693094 1083917034 /nfs/dbraw/zinc/91/70/34/1083917034.db2.gz DVWSCJQJVJGXID-LJQANCHMSA-N 1 0 362.401 4.023 20 5 FIBDRO Cc1c(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000411996002 1083943806 /nfs/dbraw/zinc/94/38/06/1083943806.db2.gz FRIIBPUNPOVKDP-HXUWFJFHSA-N 1 0 352.434 4.257 20 5 FIBDRO Cc1ccc(OC2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)cc1C ZINC000065534996 1084254571 /nfs/dbraw/zinc/25/45/71/1084254571.db2.gz UCXWJEKVVLHJMY-UHFFFAOYSA-N 1 0 370.449 4.134 20 5 FIBDRO CCC[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177806512 1084347892 /nfs/dbraw/zinc/34/78/92/1084347892.db2.gz DWCBYFUPJRSPQA-FQEVSTJZSA-N 1 0 350.422 4.412 20 5 FIBDRO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C)c2)[NH+]2CCCC2)cc1 ZINC000071948909 1084372853 /nfs/dbraw/zinc/37/28/53/1084372853.db2.gz VJCBCWQRLWIQPP-HXUWFJFHSA-N 1 0 355.438 4.161 20 5 FIBDRO Cc1ccccc1C[C@@H](C)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000580279890 1084403658 /nfs/dbraw/zinc/40/36/58/1084403658.db2.gz VERWYBXHCPSLBV-OAHLLOKOSA-N 1 0 366.421 4.016 20 5 FIBDRO COc1ccc([C@@H](C[NH+](C)C)NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000551226113 1084578153 /nfs/dbraw/zinc/57/81/53/1084578153.db2.gz DXIYZBWFRWELQZ-HXUWFJFHSA-N 1 0 371.481 4.119 20 5 FIBDRO COc1cc(N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000381226685 1084639065 /nfs/dbraw/zinc/63/90/65/1084639065.db2.gz XGCRAGMZDYOZJN-ZBFHGGJFSA-N 1 0 373.428 4.065 20 5 FIBDRO Cn1cc(C[N@@H+]2CCC=C(c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000551586662 1084678650 /nfs/dbraw/zinc/67/86/50/1084678650.db2.gz QBCLWBTXQZJENQ-UHFFFAOYSA-N 1 0 374.444 4.285 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H](NC2CC[NH+](CC3CC3)CC2)c2ccccc2)c1 ZINC000180167060 1084785667 /nfs/dbraw/zinc/78/56/67/1084785667.db2.gz OQCCBLGUAAZZJW-JOCHJYFZSA-N 1 0 365.477 4.148 20 5 FIBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000582270208 1084823596 /nfs/dbraw/zinc/82/35/96/1084823596.db2.gz NVHLOXBHDKAEAM-QGZVFWFLSA-N 1 0 350.459 4.162 20 5 FIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000548722490 1084840309 /nfs/dbraw/zinc/84/03/09/1084840309.db2.gz ZKCYEQIXYBSLAS-FQEVSTJZSA-N 1 0 351.381 4.051 20 5 FIBDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000613502793 1084852485 /nfs/dbraw/zinc/85/24/85/1084852485.db2.gz CTHARMATHOKQQD-HXUWFJFHSA-N 1 0 351.406 4.333 20 5 FIBDRO Cc1c(C[NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000478508994 1084956775 /nfs/dbraw/zinc/95/67/75/1084956775.db2.gz XPCHDGCAKPTDBT-OAHLLOKOSA-N 1 0 370.453 4.284 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H](OC(F)F)C3)o2)c1 ZINC000611609593 1085027436 /nfs/dbraw/zinc/02/74/36/1085027436.db2.gz RFNHUNXXYSJYLB-CQSZACIVSA-N 1 0 352.337 4.058 20 5 FIBDRO COc1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)cc1OC(F)F ZINC000051709602 1085061803 /nfs/dbraw/zinc/06/18/03/1085061803.db2.gz WBKXJUCQCZIQIR-UHFFFAOYSA-N 1 0 366.364 4.145 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000124569685 1085165410 /nfs/dbraw/zinc/16/54/10/1085165410.db2.gz JDMGRCBCOGBJMY-VMLCMGRWSA-N 1 0 352.434 4.054 20 5 FIBDRO C[C@]1(CCc2ccccc2)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001167599399 1085392965 /nfs/dbraw/zinc/39/29/65/1085392965.db2.gz UQOFAAGWBQMYAN-NRFANRHFSA-N 1 0 354.450 4.318 20 5 FIBDRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000480082298 1085414661 /nfs/dbraw/zinc/41/46/61/1085414661.db2.gz KWJKRMHCELDAKH-HRAATJIYSA-N 1 0 369.465 4.091 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC2(CO)CCCCC2)c2ccccc2)c1 ZINC000611521069 1085455593 /nfs/dbraw/zinc/45/55/93/1085455593.db2.gz MPDBHQQHASEDIL-FQEVSTJZSA-N 1 0 354.450 4.217 20 5 FIBDRO C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178643166 1085547810 /nfs/dbraw/zinc/54/78/10/1085547810.db2.gz PVRNSIQUPJPHPC-CQSZACIVSA-N 1 0 353.422 4.184 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000045960000 1085648039 /nfs/dbraw/zinc/64/80/39/1085648039.db2.gz RTKXKNVNPRNFSH-CYBMUJFWSA-N 1 0 368.865 4.024 20 5 FIBDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)ccc2NC1=O ZINC000178661128 1085684138 /nfs/dbraw/zinc/68/41/38/1085684138.db2.gz XMKLDSSLWZFOBA-LXIYXOSZSA-N 1 0 369.421 4.116 20 5 FIBDRO CCOC[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000093839191 1086206161 /nfs/dbraw/zinc/20/61/61/1086206161.db2.gz ADNXKVWCELKTOR-INIZCTEOSA-N 1 0 374.412 4.385 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c1 ZINC000136733113 1086250869 /nfs/dbraw/zinc/25/08/69/1086250869.db2.gz BQSAXEKRIXZYIT-AWEZNQCLSA-N 1 0 370.396 4.168 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000026227578 1086310463 /nfs/dbraw/zinc/31/04/63/1086310463.db2.gz MGKXZHWCWGMTIA-ZDUSSCGKSA-N 1 0 361.829 4.236 20 5 FIBDRO Cc1ccc(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)cc1[N+](=O)[O-] ZINC000105482539 1086560480 /nfs/dbraw/zinc/56/04/80/1086560480.db2.gz JBCCDZPJGUWANQ-UHFFFAOYSA-N 1 0 355.369 4.030 20 5 FIBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000432360619 1086659496 /nfs/dbraw/zinc/65/94/96/1086659496.db2.gz AVHBUYDZQKOJPV-SUMWQHHRSA-N 1 0 360.385 4.041 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3ccc4c[nH]nc4c3)o2)cc1 ZINC000585743462 1086679489 /nfs/dbraw/zinc/67/94/89/1086679489.db2.gz SRAPTVATSOJGGJ-UHFFFAOYSA-N 1 0 362.389 4.063 20 5 FIBDRO C[C@@H]([NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000728566961 1086684507 /nfs/dbraw/zinc/68/45/07/1086684507.db2.gz KSKKOTYJWLKEDW-CYBMUJFWSA-N 1 0 358.398 4.044 20 5 FIBDRO CC(=O)Nc1cccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000279078418 1086787922 /nfs/dbraw/zinc/78/79/22/1086787922.db2.gz MJLHNQAQXGXJNR-IBGZPJMESA-N 1 0 353.422 4.065 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCC[C@@H]3Cc3ccccc3)c2)cc1 ZINC000728898319 1086889157 /nfs/dbraw/zinc/88/91/57/1086889157.db2.gz SQLIJXYJGRCIBO-OAQYLSRUSA-N 1 0 362.433 4.123 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000584021499 1087115441 /nfs/dbraw/zinc/11/54/41/1087115441.db2.gz XKBGRSAEZRJWEU-BAAYTWLHSA-N 1 0 365.433 4.234 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000584146841 1087191095 /nfs/dbraw/zinc/19/10/95/1087191095.db2.gz VCKGLOPUSQGNRC-HZPDHXFCSA-N 1 0 357.429 4.219 20 5 FIBDRO Cc1c([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cnn1C(C)C ZINC000584195442 1087213776 /nfs/dbraw/zinc/21/37/76/1087213776.db2.gz BTKQQRVMUKDEQK-ZDUSSCGKSA-N 1 0 355.442 4.055 20 5 FIBDRO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)sc1Br ZINC000480438287 1087448292 /nfs/dbraw/zinc/44/82/92/1087448292.db2.gz BALPFCYSHPSNMQ-UHFFFAOYSA-N 1 0 355.257 4.325 20 5 FIBDRO CC(C)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCCC1 ZINC000409577179 1087524816 /nfs/dbraw/zinc/52/48/16/1087524816.db2.gz YZFAWIKXMXFRHI-UHFFFAOYSA-N 1 0 357.454 4.209 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000472357974 1087782376 /nfs/dbraw/zinc/78/23/76/1087782376.db2.gz DGLLIFQKGSXHGF-VBKZILBWSA-N 1 0 371.412 4.064 20 5 FIBDRO COc1ccc(C[NH2+]C(C)(C)c2cc(Cl)ccc2OC)cc1[N+](=O)[O-] ZINC000424194037 1087837679 /nfs/dbraw/zinc/83/76/79/1087837679.db2.gz AEENZZGTJRDVBJ-UHFFFAOYSA-N 1 0 364.829 4.290 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C2CCCC2)C1 ZINC000504895178 1087968428 /nfs/dbraw/zinc/96/84/28/1087968428.db2.gz RDPQNXPALBGEIB-JKSUJKDBSA-N 1 0 363.527 4.072 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)c1ccccc1 ZINC000504899698 1087970154 /nfs/dbraw/zinc/97/01/54/1087970154.db2.gz KOQKISJKPIKVRL-IAGOWNOFSA-N 1 0 360.479 4.179 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cc1c(C)noc1C ZINC000504920390 1087973502 /nfs/dbraw/zinc/97/35/02/1087973502.db2.gz OKYAFOWBYDGIDP-IUODEOHRSA-N 1 0 363.483 4.291 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000504921933 1087974148 /nfs/dbraw/zinc/97/41/48/1087974148.db2.gz WKQUSXYKJXEQBY-ZBFHGGJFSA-N 1 0 360.479 4.392 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)Nc1ccccc1 ZINC000504926308 1087993493 /nfs/dbraw/zinc/99/34/93/1087993493.db2.gz HUXCJYRHZZPDQG-OAHLLOKOSA-N 1 0 373.478 4.084 20 5 FIBDRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000540991722 1088023771 /nfs/dbraw/zinc/02/37/71/1088023771.db2.gz MMMOGRWXOWGBBQ-OAHLLOKOSA-N 1 0 355.438 4.227 20 5 FIBDRO COc1cnccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000188770058 1088090493 /nfs/dbraw/zinc/09/04/93/1088090493.db2.gz JYXULMSTZVZYQM-DAYGRLMNSA-N 1 0 355.438 4.060 20 5 FIBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000541022121 1088210626 /nfs/dbraw/zinc/21/06/26/1088210626.db2.gz UGPWYZFAHLWOJV-FHSNZYRGSA-N 1 0 365.861 4.087 20 5 FIBDRO CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000311303262 1088547986 /nfs/dbraw/zinc/54/79/86/1088547986.db2.gz JZMJPUJJDLYXIY-NVXWUHKLSA-N 1 0 363.458 4.035 20 5 FIBDRO CC(C)c1ccc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000189631327 1088557142 /nfs/dbraw/zinc/55/71/42/1088557142.db2.gz CULQMDYOFVAFOA-YOEHRIQHSA-N 1 0 374.403 4.291 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)s1 ZINC000514077747 1088714865 /nfs/dbraw/zinc/71/48/65/1088714865.db2.gz YRRXPVYXUSOXAZ-KFKAGJAMSA-N 1 0 370.474 4.371 20 5 FIBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000190020400 1088756268 /nfs/dbraw/zinc/75/62/68/1088756268.db2.gz SQAVJTUFIUZBKN-UHFFFAOYSA-N 1 0 355.438 4.341 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@@H](CO)C2)ccc1Oc1ccc(F)cc1 ZINC000414561360 1088815516 /nfs/dbraw/zinc/81/55/16/1088815516.db2.gz BDLMGCRUOUXHLJ-WBVHZDCISA-N 1 0 374.412 4.167 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000181530453 1088924687 /nfs/dbraw/zinc/92/46/87/1088924687.db2.gz KFVLJLXCMZACRJ-HOTGVXAUSA-N 1 0 355.438 4.014 20 5 FIBDRO C[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000414859925 1088972633 /nfs/dbraw/zinc/97/26/33/1088972633.db2.gz UZXSEKXKLBUMNZ-GOEBONIOSA-N 1 0 373.428 4.004 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000434896720 1089113128 /nfs/dbraw/zinc/11/31/28/1089113128.db2.gz QAHCFWVEYSRZSZ-VQIMIIECSA-N 1 0 367.449 4.110 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000434898012 1089116325 /nfs/dbraw/zinc/11/63/25/1089116325.db2.gz SYFVQDUVCIFVQR-VQIMIIECSA-N 1 0 367.449 4.110 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](c4ccc(Cl)cc4)C3)nc2c1 ZINC000435049137 1089235481 /nfs/dbraw/zinc/23/54/81/1089235481.db2.gz LZACZPSOORULLL-CYBMUJFWSA-N 1 0 357.797 4.379 20 5 FIBDRO CC(C)C[C@H](CCO)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000236752725 1089456660 /nfs/dbraw/zinc/45/66/60/1089456660.db2.gz PGSLTNHNRSVIMT-HNNXBMFYSA-N 1 0 362.495 4.458 20 5 FIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000515113534 1089792239 /nfs/dbraw/zinc/79/22/39/1089792239.db2.gz KXMNSYXEGQIMEF-UHFFFAOYSA-N 1 0 370.453 4.067 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CC2=CCCOC2)cc1 ZINC000515400473 1090011070 /nfs/dbraw/zinc/01/10/70/1090011070.db2.gz PFNHWIPYHJKEEC-UHFFFAOYSA-N 1 0 374.824 4.477 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H](c4ccccc4)C3)o2)c1 ZINC000104679693 1090294481 /nfs/dbraw/zinc/29/44/81/1090294481.db2.gz KYIGMAWSYNDHKK-SFHVURJKSA-N 1 0 363.417 4.282 20 5 FIBDRO CCCCOc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000236691493 1090498242 /nfs/dbraw/zinc/49/82/42/1090498242.db2.gz BZVUVEUPOPCUQM-UHFFFAOYSA-N 1 0 358.438 4.381 20 5 FIBDRO O=C(CC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000511606396 1090688167 /nfs/dbraw/zinc/68/81/67/1090688167.db2.gz VLKTYIOCIXMANL-KRWDZBQOSA-N 1 0 359.813 4.024 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(-n3ccnc3)c1)CCCC2 ZINC000417302123 1090792903 /nfs/dbraw/zinc/79/29/03/1090792903.db2.gz BZUQHULSNWZIPU-NRFANRHFSA-N 1 0 362.433 4.338 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccc([S@](C)=O)cc1 ZINC000417308609 1090800762 /nfs/dbraw/zinc/80/07/62/1090800762.db2.gz HTJAPJARMAYCLD-YMAGALGMSA-N 1 0 372.490 4.451 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@@H](c3ccncc3)C1)CCCC2 ZINC000417350183 1090829432 /nfs/dbraw/zinc/82/94/32/1090829432.db2.gz ORVAAMFMSMOAIR-DUXKGJEZSA-N 1 0 367.449 4.267 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000584480242 1090967327 /nfs/dbraw/zinc/96/73/27/1090967327.db2.gz VCKMCCPYQGOSGT-ORAYPTAESA-N 1 0 365.433 4.281 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCCNc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000541559389 1091250619 /nfs/dbraw/zinc/25/06/19/1091250619.db2.gz OVTGZSLLALHVKW-AWEZNQCLSA-N 1 0 361.417 4.285 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C)nc(N2CCCC2)c1 ZINC000566649598 1091258376 /nfs/dbraw/zinc/25/83/76/1091258376.db2.gz LPEUZSUDWQAQQJ-MHWRWJLKSA-N 1 0 366.465 4.092 20 5 FIBDRO CC[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000311303484 1091354787 /nfs/dbraw/zinc/35/47/87/1091354787.db2.gz HKRLYMBWVRFUFD-INIZCTEOSA-N 1 0 363.458 4.083 20 5 FIBDRO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000015117532 1091365473 /nfs/dbraw/zinc/36/54/73/1091365473.db2.gz UEABUYMOTFBEEO-UHFFFAOYSA-N 1 0 370.409 4.101 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000512214156 1091919085 /nfs/dbraw/zinc/91/90/85/1091919085.db2.gz UWVCQKLRDMZPRG-OAHLLOKOSA-N 1 0 366.421 4.189 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000512259505 1091974492 /nfs/dbraw/zinc/97/44/92/1091974492.db2.gz QRHBMQCYPDCVSP-UHFFFAOYSA-N 1 0 367.449 4.387 20 5 FIBDRO CCC(O)(CC)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236858152 1092065488 /nfs/dbraw/zinc/06/54/88/1092065488.db2.gz WHSLERZAOLBHAG-UHFFFAOYSA-N 1 0 352.818 4.149 20 5 FIBDRO COc1ccccc1CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000520955690 1092380959 /nfs/dbraw/zinc/38/09/59/1092380959.db2.gz HVMHSNSHKQMMOP-UHFFFAOYSA-N 1 0 352.390 4.196 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000512522665 1092631990 /nfs/dbraw/zinc/63/19/90/1092631990.db2.gz XQJHNCKLECWMTF-VURMDHGXSA-N 1 0 355.413 4.137 20 5 FIBDRO CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccccc1 ZINC000521380052 1092668980 /nfs/dbraw/zinc/66/89/80/1092668980.db2.gz ILANRISIPJKOMU-APWZRJJASA-N 1 0 369.465 4.090 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000549717972 1092716359 /nfs/dbraw/zinc/71/63/59/1092716359.db2.gz NTQQDGPBZMTLSW-JKSUJKDBSA-N 1 0 370.371 4.147 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccc3[nH]ccc3c2)cc1[N+](=O)[O-] ZINC000442810507 1092784871 /nfs/dbraw/zinc/78/48/71/1092784871.db2.gz MPAAALFREXUUCQ-AWEZNQCLSA-N 1 0 353.422 4.368 20 5 FIBDRO Cc1ccccc1[C@H]([C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])N(C)C ZINC000443003426 1092910734 /nfs/dbraw/zinc/91/07/34/1092910734.db2.gz UQCLVPPXXUFINC-GWHIEVBUSA-N 1 0 353.466 4.197 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]CCc3ccc(F)cc3)o2)c([N+](=O)[O-])c1 ZINC000521804227 1092923935 /nfs/dbraw/zinc/92/39/35/1092923935.db2.gz KUSRYFMWODFMNN-UHFFFAOYSA-N 1 0 370.380 4.335 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000521827295 1092931629 /nfs/dbraw/zinc/93/16/29/1092931629.db2.gz SRLZNAAWCHMGBU-DNVCBOLYSA-N 1 0 370.449 4.461 20 5 FIBDRO C[NH+](C)[C@H]1CCOc2c(Nc3ccc4ncccc4c3[N+](=O)[O-])cccc21 ZINC000432921541 1092956042 /nfs/dbraw/zinc/95/60/42/1092956042.db2.gz DBYCQNIAUMRFDV-SFHVURJKSA-N 1 0 364.405 4.272 20 5 FIBDRO C[N@H+](CCSc1ccc([N+](=O)[O-])c2cnccc12)Cc1ccccc1 ZINC000432944911 1092979654 /nfs/dbraw/zinc/97/96/54/1092979654.db2.gz WDDMVTGWDYNXMK-UHFFFAOYSA-N 1 0 353.447 4.367 20 5 FIBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(Br)s1 ZINC000443338472 1093063128 /nfs/dbraw/zinc/06/31/28/1093063128.db2.gz VWXYVEPVZUDVLI-SNVBAGLBSA-N 1 0 371.256 4.148 20 5 FIBDRO COc1cc(C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])ccc1SC ZINC000512706029 1093176370 /nfs/dbraw/zinc/17/63/70/1093176370.db2.gz UGNRKXCMPHVAMX-VURMDHGXSA-N 1 0 358.463 4.471 20 5 FIBDRO CC[C@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000433087733 1093231883 /nfs/dbraw/zinc/23/18/83/1093231883.db2.gz JVPXPJMFTHYVGJ-CKHPTIKVSA-N 1 0 354.450 4.192 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000433102597 1093257447 /nfs/dbraw/zinc/25/74/47/1093257447.db2.gz JEDPPGYITJSCBM-OALUTQOASA-N 1 0 367.493 4.422 20 5 FIBDRO CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CC2 ZINC000433105360 1093258529 /nfs/dbraw/zinc/25/85/29/1093258529.db2.gz ZSWGDLCFRGSHFL-HNAYVOBHSA-N 1 0 368.481 4.242 20 5 FIBDRO COc1ccc(OC)c(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433137680 1093322269 /nfs/dbraw/zinc/32/22/69/1093322269.db2.gz UUTLSBLAZRUQNT-GOSISDBHSA-N 1 0 356.422 4.124 20 5 FIBDRO COc1ccc(OC)c(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433137681 1093322472 /nfs/dbraw/zinc/32/24/72/1093322472.db2.gz UUTLSBLAZRUQNT-SFHVURJKSA-N 1 0 356.422 4.124 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCO2 ZINC000433173450 1093372409 /nfs/dbraw/zinc/37/24/09/1093372409.db2.gz KEIKCDOLSRLFPG-YVEFUNNKSA-N 1 0 354.406 4.397 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000433183870 1093386813 /nfs/dbraw/zinc/38/68/13/1093386813.db2.gz VSYSTGUBWRGWDQ-TWVNLXSWSA-N 1 0 351.450 4.114 20 5 FIBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000512879594 1093498050 /nfs/dbraw/zinc/49/80/50/1093498050.db2.gz GTNXKBQPRMVRQM-MEBBXXQBSA-N 1 0 352.843 4.349 20 5 FIBDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000512885721 1093502345 /nfs/dbraw/zinc/50/23/45/1093502345.db2.gz SWCHCTHGOMSONF-AEFFLSMTSA-N 1 0 369.465 4.125 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2cnn3ccccc23)s1 ZINC000512890687 1093512389 /nfs/dbraw/zinc/51/23/89/1093512389.db2.gz LNFCWCDYSDSNER-UHFFFAOYSA-N 1 0 364.430 4.261 20 5 FIBDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000512896026 1093526753 /nfs/dbraw/zinc/52/67/53/1093526753.db2.gz SPMXDPQYRLYFLV-ZBFHGGJFSA-N 1 0 374.412 4.288 20 5 FIBDRO COC[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000433287311 1093545295 /nfs/dbraw/zinc/54/52/95/1093545295.db2.gz PAEBJTDFBVNGEL-OALUTQOASA-N 1 0 358.413 4.434 20 5 FIBDRO COc1ccc([C@@H](CCO)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433305954 1093572036 /nfs/dbraw/zinc/57/20/36/1093572036.db2.gz QQMHJEJWERHHPI-WOJBJXKFSA-N 1 0 370.449 4.039 20 5 FIBDRO COc1ccc([C@@H](CCO)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433305949 1093572169 /nfs/dbraw/zinc/57/21/69/1093572169.db2.gz QQMHJEJWERHHPI-UXHICEINSA-N 1 0 370.449 4.039 20 5 FIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000006052208 1093586372 /nfs/dbraw/zinc/58/63/72/1093586372.db2.gz QQTZSXVLGPMWMU-GOSISDBHSA-N 1 0 373.840 4.460 20 5 FIBDRO Cc1cccc(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)c1[N+](=O)[O-] ZINC000047402055 1093762836 /nfs/dbraw/zinc/76/28/36/1093762836.db2.gz HNJPXYNNKVJBHV-UHFFFAOYSA-N 1 0 367.449 4.387 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C[C@@H]2OC)cc1[N+](=O)[O-] ZINC000513087636 1093798688 /nfs/dbraw/zinc/79/86/88/1093798688.db2.gz BMSQQWDRBQUIHO-UEXGIBASSA-N 1 0 370.449 4.044 20 5 FIBDRO CC1CC[NH+](C[C@H]2CCCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)CC1 ZINC000473511821 1093898855 /nfs/dbraw/zinc/89/88/55/1093898855.db2.gz YNCHAAIFSDPNHE-QGZVFWFLSA-N 1 0 368.481 4.091 20 5 FIBDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000513507438 1094168783 /nfs/dbraw/zinc/16/87/83/1094168783.db2.gz ULDFIWMOTBZTDR-RGFKIIKPSA-N 1 0 352.862 4.010 20 5 FIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1csc(Br)c1 ZINC000404219008 1094189270 /nfs/dbraw/zinc/18/92/70/1094189270.db2.gz WCQNBOKAUOITRV-UHFFFAOYSA-N 1 0 355.257 4.093 20 5 FIBDRO COc1ccc([C@@H](Cc2ccncc2)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000513679386 1094269379 /nfs/dbraw/zinc/26/93/79/1094269379.db2.gz WQLDKYBVXCDMHD-OAQYLSRUSA-N 1 0 363.417 4.072 20 5 FIBDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000474600142 1094400944 /nfs/dbraw/zinc/40/09/44/1094400944.db2.gz UOGZXKLQOYGLQM-QLFBSQMISA-N 1 0 358.438 4.455 20 5 FIBDRO C[C@@H](c1ccsc1)[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413236019 1094767090 /nfs/dbraw/zinc/76/70/90/1094767090.db2.gz QVYBYQDIVLJZJU-AWEZNQCLSA-N 1 0 368.462 4.088 20 5 FIBDRO C[C@H](Nc1nccc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000413252035 1094802458 /nfs/dbraw/zinc/80/24/58/1094802458.db2.gz YLGPJRSFTJMAFD-HOCLYGCPSA-N 1 0 354.454 4.208 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CC=CCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237146350 1095200043 /nfs/dbraw/zinc/20/00/43/1095200043.db2.gz HIBAEYMEXHBNTQ-SFHVURJKSA-N 1 0 368.433 4.381 20 5 FIBDRO CCOc1cc(C[NH2+][C@@H](CC(F)F)c2ccccc2)ccc1[N+](=O)[O-] ZINC000420994161 1095232271 /nfs/dbraw/zinc/23/22/71/1095232271.db2.gz MVMHTKWVYYDBPI-HNNXBMFYSA-N 1 0 350.365 4.480 20 5 FIBDRO COc1cc(C)c(C[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000502254856 1095274066 /nfs/dbraw/zinc/27/40/66/1095274066.db2.gz WRGJACYNWBURNZ-LSDHHAIUSA-N 1 0 358.438 4.202 20 5 FIBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000413568590 1095339175 /nfs/dbraw/zinc/33/91/75/1095339175.db2.gz DCIUHPLZVGSXMB-UHFFFAOYSA-N 1 0 371.437 4.004 20 5 FIBDRO CCCn1nccc1C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000502328218 1095384169 /nfs/dbraw/zinc/38/41/69/1095384169.db2.gz UUSOFXPOZUOHJK-FNORWQNLSA-N 1 0 354.454 4.094 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](c2ccc(F)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000502487080 1095498936 /nfs/dbraw/zinc/49/89/36/1095498936.db2.gz SWBFBDJLIDHUJT-IFXJQAMLSA-N 1 0 373.428 4.356 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCC3(O)CCC3)o2)c(Cl)c1 ZINC000421372595 1095573420 /nfs/dbraw/zinc/57/34/20/1095573420.db2.gz KZURDBLNPCLBHQ-UHFFFAOYSA-N 1 0 364.829 4.293 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](O)CC23CCC3)s1 ZINC000421380247 1095579755 /nfs/dbraw/zinc/57/97/55/1095579755.db2.gz XXMKQLZNSDCNHF-CQSZACIVSA-N 1 0 358.463 4.203 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](O)CC34CCC4)s2)cc1 ZINC000421380270 1095580129 /nfs/dbraw/zinc/58/01/29/1095580129.db2.gz YBTKKNCLYMBJAC-INIZCTEOSA-N 1 0 358.463 4.203 20 5 FIBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502937493 1095979410 /nfs/dbraw/zinc/97/94/10/1095979410.db2.gz FNOHIKUZOSCNTQ-MRXNPFEDSA-N 1 0 355.438 4.224 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000183818379 1096218505 /nfs/dbraw/zinc/21/85/05/1096218505.db2.gz YIUKAJJNFGTGIX-UHFFFAOYSA-N 1 0 360.211 4.128 20 5 FIBDRO COCC[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)C ZINC000509963740 1096331505 /nfs/dbraw/zinc/33/15/05/1096331505.db2.gz LUTGIYQLRSCDOL-MRXNPFEDSA-N 1 0 363.483 4.259 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000503408849 1096388483 /nfs/dbraw/zinc/38/84/83/1096388483.db2.gz UVWUQNWMMSTZAB-YJYMSZOUSA-N 1 0 373.840 4.020 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000503411791 1096390803 /nfs/dbraw/zinc/39/08/03/1096390803.db2.gz JMIXDNUGYNKXJC-BFUOFWGJSA-N 1 0 373.840 4.020 20 5 FIBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)c1ccc(F)cc1 ZINC000532926875 1098595409 /nfs/dbraw/zinc/59/54/09/1098595409.db2.gz QIBRYXFCVDNQAV-HNNXBMFYSA-N 1 0 373.428 4.454 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)n1 ZINC000436302440 1098915977 /nfs/dbraw/zinc/91/59/77/1098915977.db2.gz UTQMJIZIFMRDMH-DKIMLUQUSA-N 1 0 374.872 4.464 20 5 FIBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000436304363 1098916834 /nfs/dbraw/zinc/91/68/34/1098916834.db2.gz DNUASKMIHBVKIS-WSTZPKSXSA-N 1 0 368.433 4.006 20 5 FIBDRO O=C(C[NH2+][C@@H](c1ccccc1)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000533386800 1099015659 /nfs/dbraw/zinc/01/56/59/1099015659.db2.gz XMRXEAQVBSKUPP-FQEVSTJZSA-N 1 0 353.422 4.054 20 5 FIBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000533435584 1099055801 /nfs/dbraw/zinc/05/58/01/1099055801.db2.gz LYBVWMIVCSHKDD-QAPCUYQASA-N 1 0 367.449 4.110 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COc2ccccc21 ZINC000516340175 1099384885 /nfs/dbraw/zinc/38/48/85/1099384885.db2.gz LNEZBDHOWPOZTP-CABCVRRESA-N 1 0 358.463 4.231 20 5 FIBDRO COc1ccc(C[C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000516610746 1099654708 /nfs/dbraw/zinc/65/47/08/1099654708.db2.gz SVUAKFQJGDPERG-LJQANCHMSA-N 1 0 354.450 4.101 20 5 FIBDRO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000506100655 1100080332 /nfs/dbraw/zinc/08/03/32/1100080332.db2.gz FSPZKWKSNDJGMO-KRWDZBQOSA-N 1 0 354.406 4.012 20 5 FIBDRO CCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000517124071 1100091711 /nfs/dbraw/zinc/09/17/11/1100091711.db2.gz MAIRGSJOPZZJPG-DYESRHJHSA-N 1 0 353.466 4.252 20 5 FIBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536673573 1100159000 /nfs/dbraw/zinc/15/90/00/1100159000.db2.gz MECBUBCCKIBXKE-WUTDNEBXSA-N 1 0 365.477 4.062 20 5 FIBDRO COc1ccccc1OC[C@@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000536852168 1100365176 /nfs/dbraw/zinc/36/51/76/1100365176.db2.gz MCDLOOHITZDIPQ-GOEBONIOSA-N 1 0 358.438 4.278 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000536870402 1100389097 /nfs/dbraw/zinc/38/90/97/1100389097.db2.gz OSTRVKXSPOLXGQ-DYVFJYSZSA-N 1 0 373.840 4.013 20 5 FIBDRO COCCOC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536878056 1100401592 /nfs/dbraw/zinc/40/15/92/1100401592.db2.gz PPEOYRFRLPVTQZ-ZIAGYGMSSA-N 1 0 364.467 4.025 20 5 FIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(-c4ccccc4)cs3)CC2)n1 ZINC000425991979 1100629598 /nfs/dbraw/zinc/62/95/98/1100629598.db2.gz ZLOSAQRWXUDFBE-UHFFFAOYSA-N 1 0 368.462 4.357 20 5 FIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCSC1 ZINC000506217614 1100629646 /nfs/dbraw/zinc/62/96/46/1100629646.db2.gz JYYIASCKMISXLA-GFCCVEGCSA-N 1 0 352.843 4.446 20 5 FIBDRO COc1cc(OC)cc(OCCC[N@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000438543633 1100733381 /nfs/dbraw/zinc/73/33/81/1100733381.db2.gz BWUPMJDPHDCCGL-HNNXBMFYSA-N 1 0 374.437 4.074 20 5 FIBDRO O=C(CC[NH2+][C@H](c1ccccc1)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000518010068 1100862613 /nfs/dbraw/zinc/86/26/13/1100862613.db2.gz NDSJFSSKFKYKMP-OAQYLSRUSA-N 1 0 367.449 4.445 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)c([N+](=O)[O-])cc1OC ZINC000506323836 1100864788 /nfs/dbraw/zinc/86/47/88/1100864788.db2.gz GYWNVKZQOZDWHD-KRWDZBQOSA-N 1 0 356.422 4.258 20 5 FIBDRO COC[C@@H](C)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000509587255 1100985287 /nfs/dbraw/zinc/98/52/87/1100985287.db2.gz QAYCQIMPJYGZST-ZDUSSCGKSA-N 1 0 364.829 4.413 20 5 FIBDRO C[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCC[C@H](C)C1 ZINC000518264563 1101049811 /nfs/dbraw/zinc/04/98/11/1101049811.db2.gz GRKWSQDBESDYOK-JKSUJKDBSA-N 1 0 357.454 4.065 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCN3CCCC[C@H]23)s1 ZINC000518267713 1101050601 /nfs/dbraw/zinc/05/06/01/1101050601.db2.gz QQOUACLRJNBPEV-FUHWJXTLSA-N 1 0 357.479 4.040 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1[N+](=O)[O-] ZINC000536908022 1101333073 /nfs/dbraw/zinc/33/30/73/1101333073.db2.gz CVFRGOSNSNHMCO-KBPBESRZSA-N 1 0 353.422 4.200 20 5 FIBDRO CCCCn1cc(C[NH2+][C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)c(C)n1 ZINC000537014409 1101395113 /nfs/dbraw/zinc/39/51/13/1101395113.db2.gz MSZJFJKKXSTXHY-CQSZACIVSA-N 1 0 360.458 4.149 20 5 FIBDRO CCCOc1ccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000537049714 1101425865 /nfs/dbraw/zinc/42/58/65/1101425865.db2.gz OYPHYSILGNQYFV-OAHLLOKOSA-N 1 0 358.438 4.286 20 5 FIBDRO CC(C)CC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000537065875 1101434761 /nfs/dbraw/zinc/43/47/61/1101434761.db2.gz FRLWFLLSKYUPGR-HNNXBMFYSA-N 1 0 350.850 4.249 20 5 FIBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccc2)n1 ZINC000537076535 1101440833 /nfs/dbraw/zinc/44/08/33/1101440833.db2.gz IGNBDIZATOTEIP-SFHVURJKSA-N 1 0 370.840 4.018 20 5 FIBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000537100688 1101449211 /nfs/dbraw/zinc/44/92/11/1101449211.db2.gz FSPYPRAGZTXDQF-CQSZACIVSA-N 1 0 370.375 4.224 20 5 FIBDRO Cc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000537175373 1101520283 /nfs/dbraw/zinc/52/02/83/1101520283.db2.gz GWSCSRYFSFHXLJ-IRXDYDNUSA-N 1 0 369.465 4.048 20 5 FIBDRO CC(C)c1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000428532973 1101536062 /nfs/dbraw/zinc/53/60/62/1101536062.db2.gz HXEFIWYFSIKVNC-TZIWHRDSSA-N 1 0 372.440 4.113 20 5 FIBDRO COc1cc(C[NH2+]CC2(c3ccc(F)cc3)CCCC2)c([N+](=O)[O-])cc1O ZINC000509599772 1101551194 /nfs/dbraw/zinc/55/11/94/1101551194.db2.gz HAANDSZVWXPZIE-UHFFFAOYSA-N 1 0 374.412 4.050 20 5 FIBDRO CC(C)[C@@H](O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537299424 1101622830 /nfs/dbraw/zinc/62/28/30/1101622830.db2.gz ZRAHEBKEUNTCPK-INIZCTEOSA-N 1 0 352.818 4.005 20 5 FIBDRO CO[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(C)C ZINC000537313021 1101642201 /nfs/dbraw/zinc/64/22/01/1101642201.db2.gz VHFPTCDBSXMYGB-QGZVFWFLSA-N 1 0 352.818 4.269 20 5 FIBDRO CC[NH+]1CCN(c2ccccc2N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000537443253 1101795638 /nfs/dbraw/zinc/79/56/38/1101795638.db2.gz YGGJTWMHKBYRBC-KRWDZBQOSA-N 1 0 368.481 4.218 20 5 FIBDRO CCC[C@@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1cccc([N+](=O)[O-])c1 ZINC000537452806 1101805093 /nfs/dbraw/zinc/80/50/93/1101805093.db2.gz WUSGDLCJCISZJV-QGZVFWFLSA-N 1 0 354.406 4.444 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000026227484 1101945886 /nfs/dbraw/zinc/94/58/86/1101945886.db2.gz KZUVNVFOQYHXKZ-ZDUSSCGKSA-N 1 0 361.829 4.236 20 5 FIBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237742567 1102135391 /nfs/dbraw/zinc/13/53/91/1102135391.db2.gz IIQPPXTYWBUVAV-VQTJNVASSA-N 1 0 374.412 4.167 20 5 FIBDRO CN1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000550784078 1102283470 /nfs/dbraw/zinc/28/34/70/1102283470.db2.gz CYMSCOUQMWJFIN-OALUTQOASA-N 1 0 373.884 4.216 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2ccncc2)ccc1Oc1ccc(F)cc1 ZINC000532427887 1102310462 /nfs/dbraw/zinc/31/04/62/1102310462.db2.gz MWBAKUHJQTVQDR-UHFFFAOYSA-N 1 0 367.380 4.254 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](c1ccccc1)C(C)C ZINC000026266665 1102390743 /nfs/dbraw/zinc/39/07/43/1102390743.db2.gz ZMJQBRLNILZZQG-FQEVSTJZSA-N 1 0 355.438 4.219 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)s1 ZINC000237964519 1102391198 /nfs/dbraw/zinc/39/11/98/1102391198.db2.gz QQOUACLRJNBPEV-AEFFLSMTSA-N 1 0 357.479 4.040 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cnn1C ZINC000171049805 1102397260 /nfs/dbraw/zinc/39/72/60/1102397260.db2.gz QNYNJSKEASLELV-LLVKDONJSA-N 1 0 374.828 4.401 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000532485565 1102426102 /nfs/dbraw/zinc/42/61/02/1102426102.db2.gz ZFMXOCUDZMSCQW-QUCCMNQESA-N 1 0 367.493 4.118 20 5 FIBDRO C[C@@H](C[NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccccc1[N+](=O)[O-] ZINC000897459949 1102550659 /nfs/dbraw/zinc/55/06/59/1102550659.db2.gz PPFJOVIDCTZZIH-JTQLQIEISA-N 1 0 359.373 4.049 20 5 FIBDRO COc1ccc([C@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cc1NC(C)=O ZINC000897466428 1102572750 /nfs/dbraw/zinc/57/27/50/1102572750.db2.gz UJMZZZHBZZYAMO-KGLIPLIRSA-N 1 0 371.437 4.016 20 5 FIBDRO [NH3+]Cc1cnn(-c2ccc3ccc4ccc(Br)cc4c3c2)c1 ZINC001168260862 1102696414 /nfs/dbraw/zinc/69/64/14/1102696414.db2.gz CDLARQAWNFWIJY-UHFFFAOYSA-N 1 0 352.235 4.400 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCc3ccccc3)cs2)c1 ZINC000237995957 1102699929 /nfs/dbraw/zinc/69/99/29/1102699929.db2.gz ZGEZVEPCNDFKCT-UHFFFAOYSA-N 1 0 353.447 4.441 20 5 FIBDRO CC1CC[NH+](CCc2cccc(NC(=O)c3csc([N+](=O)[O-])c3)c2)CC1 ZINC000537691987 1102850686 /nfs/dbraw/zinc/85/06/86/1102850686.db2.gz GOCADSGTRUYACG-UHFFFAOYSA-N 1 0 373.478 4.183 20 5 FIBDRO Cc1ccccc1C(C)(C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000550263771 1102873352 /nfs/dbraw/zinc/87/33/52/1102873352.db2.gz SRAIFMOMUDCUPG-UHFFFAOYSA-N 1 0 361.829 4.020 20 5 FIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000551244012 1102999699 /nfs/dbraw/zinc/99/96/99/1102999699.db2.gz QRVNCPHZYJOZGA-ZRCAFCQKSA-N 1 0 367.449 4.095 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCN1CCc2sccc2C1 ZINC000506995160 1103021923 /nfs/dbraw/zinc/02/19/23/1103021923.db2.gz OSICLTZQJODNPN-UHFFFAOYSA-N 1 0 371.384 4.145 20 5 FIBDRO Cn1nccc1-c1ccccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000507241635 1103235688 /nfs/dbraw/zinc/23/56/88/1103235688.db2.gz BEKDXFIDNYRULW-UHFFFAOYSA-N 1 0 362.433 4.160 20 5 FIBDRO COc1ccc(C[N@H+](C)CCc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000507279743 1103272563 /nfs/dbraw/zinc/27/25/63/1103272563.db2.gz PKPHCLRWQNDVTB-UHFFFAOYSA-N 1 0 350.418 4.431 20 5 FIBDRO CCSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000507554413 1103478079 /nfs/dbraw/zinc/47/80/79/1103478079.db2.gz VEGDXMPGGSVDEL-KBPBESRZSA-N 1 0 373.478 4.385 20 5 FIBDRO C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000455904193 1103760821 /nfs/dbraw/zinc/76/08/21/1103760821.db2.gz GTCCHQQGIGJIRP-YJYMSZOUSA-N 1 0 368.437 4.026 20 5 FIBDRO CCCC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000538201108 1104034796 /nfs/dbraw/zinc/03/47/96/1104034796.db2.gz GXHPJHBSTPKDGG-KRWDZBQOSA-N 1 0 371.437 4.063 20 5 FIBDRO CC1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)Cc2ccccc2C1 ZINC000507733266 1104060048 /nfs/dbraw/zinc/06/00/48/1104060048.db2.gz QNVRBBAZEMBGFO-UHFFFAOYSA-N 1 0 365.458 4.365 20 5 FIBDRO CN(C)C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000579251587 1104331692 /nfs/dbraw/zinc/33/16/92/1104331692.db2.gz BRFHVIJNDITIEL-QZTJIDSGSA-N 1 0 359.857 4.128 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CC2(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000507942488 1105279043 /nfs/dbraw/zinc/27/90/43/1105279043.db2.gz SIZFUBCXTKYQKI-LJQANCHMSA-N 1 0 356.422 4.071 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000450866087 1106764046 /nfs/dbraw/zinc/76/40/46/1106764046.db2.gz SSROZLGPWPAGRW-NUEKZKHPSA-N 1 0 370.371 4.051 20 5 FIBDRO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451109107 1106925548 /nfs/dbraw/zinc/92/55/48/1106925548.db2.gz XUPVDNSTZXKJLR-GJZGRUSLSA-N 1 0 355.438 4.396 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C2CC2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451113892 1106927767 /nfs/dbraw/zinc/92/77/67/1106927767.db2.gz LFIUKTRETVONJA-UONOGXRCSA-N 1 0 353.422 4.150 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000530727611 1107290571 /nfs/dbraw/zinc/29/05/71/1107290571.db2.gz CIVBAWIISXAZPO-DYVFJYSZSA-N 1 0 373.840 4.013 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000530727613 1107290787 /nfs/dbraw/zinc/29/07/87/1107290787.db2.gz CIVBAWIISXAZPO-GUYCJALGSA-N 1 0 373.840 4.013 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000530727597 1107290964 /nfs/dbraw/zinc/29/09/64/1107290964.db2.gz BLGOABTVCCMEMM-CHWSQXEVSA-N 1 0 361.829 4.234 20 5 FIBDRO Cc1c(C[NH2+][C@](C)(CO)c2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-] ZINC000451911333 1107378132 /nfs/dbraw/zinc/37/81/32/1107378132.db2.gz NNOVFRNROPWYRL-QGZVFWFLSA-N 1 0 369.248 4.207 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000452064202 1107445500 /nfs/dbraw/zinc/44/55/00/1107445500.db2.gz ZLUPKPSHFPGXHM-INIZCTEOSA-N 1 0 366.870 4.303 20 5 FIBDRO COc1cccc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000475503494 1107591847 /nfs/dbraw/zinc/59/18/47/1107591847.db2.gz NIDRHIQKNWILHX-DYVFJYSZSA-N 1 0 361.467 4.160 20 5 FIBDRO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000531204968 1107648125 /nfs/dbraw/zinc/64/81/25/1107648125.db2.gz NCEFZEYFUQTCSO-HZPDHXFCSA-N 1 0 355.438 4.198 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-] ZINC000531443947 1107903233 /nfs/dbraw/zinc/90/32/33/1107903233.db2.gz XRAWLAWRZZIAGK-SUMWQHHRSA-N 1 0 373.840 4.013 20 5 FIBDRO CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000531443420 1107903636 /nfs/dbraw/zinc/90/36/36/1107903636.db2.gz XEIQSTGMJXUURD-LSDHHAIUSA-N 1 0 355.438 4.143 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCCC[C@@H]3c3ccccc3)nc2c1 ZINC000444688190 1108090142 /nfs/dbraw/zinc/09/01/42/1108090142.db2.gz XVDZFZGSGLCMMW-SJORKVTESA-N 1 0 350.422 4.287 20 5 FIBDRO Cc1cccc2nc(C3CC[NH+](CCc4ccc([N+](=O)[O-])cc4)CC3)oc21 ZINC000444769535 1108164857 /nfs/dbraw/zinc/16/48/57/1108164857.db2.gz AGCRNVVYUMUYGP-UHFFFAOYSA-N 1 0 365.433 4.467 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000523451608 1108213887 /nfs/dbraw/zinc/21/38/87/1108213887.db2.gz LJADJUASULHGJA-WMLDXEAASA-N 1 0 356.397 4.390 20 5 FIBDRO CSc1ccccc1[C@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000440618201 1108326472 /nfs/dbraw/zinc/32/64/72/1108326472.db2.gz UUPFGCPMUPSVOY-AWEZNQCLSA-N 1 0 373.478 4.305 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)CCC2 ZINC000453278154 1108352564 /nfs/dbraw/zinc/35/25/64/1108352564.db2.gz BXRUZRLDUKSRHI-OAHLLOKOSA-N 1 0 351.328 4.176 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000453318500 1108408257 /nfs/dbraw/zinc/40/82/57/1108408257.db2.gz MDIMPWBXOSBULG-JKSUJKDBSA-N 1 0 364.511 4.404 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000453324464 1108415460 /nfs/dbraw/zinc/41/54/60/1108415460.db2.gz VZKDHJBYZNEUNO-QMTMVMCOSA-N 1 0 350.459 4.095 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000531950499 1108435595 /nfs/dbraw/zinc/43/55/95/1108435595.db2.gz RVZOANBPELHXNZ-JKSUJKDBSA-N 1 0 357.429 4.219 20 5 FIBDRO CC[C@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000531954016 1108441345 /nfs/dbraw/zinc/44/13/45/1108441345.db2.gz VEHAGASUMCIXIE-KSSFIOAISA-N 1 0 359.495 4.144 20 5 FIBDRO Cc1cnc(CC[NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000453404151 1108505272 /nfs/dbraw/zinc/50/52/72/1108505272.db2.gz PCVSMHDIEPLCBV-AWEZNQCLSA-N 1 0 368.462 4.315 20 5 FIBDRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000523860063 1108609446 /nfs/dbraw/zinc/60/94/46/1108609446.db2.gz ACYNVDXNMZQWIW-OAHLLOKOSA-N 1 0 358.442 4.293 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCOCC3CCCC3)cs2)c1 ZINC000453589694 1108646100 /nfs/dbraw/zinc/64/61/00/1108646100.db2.gz WMYDBFRZDIOPKP-UHFFFAOYSA-N 1 0 361.467 4.015 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2noc([C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)s1 ZINC000445476285 1108815277 /nfs/dbraw/zinc/81/52/77/1108815277.db2.gz ASZDHVAEOTTWLQ-AWEZNQCLSA-N 1 0 370.434 4.086 20 5 FIBDRO C[C@@H]([NH2+]C1(CNC(=O)c2csc([N+](=O)[O-])c2)CCCC1)c1ccccc1 ZINC000524635429 1109106009 /nfs/dbraw/zinc/10/60/09/1109106009.db2.gz UNUDXTYOXJZKFB-CQSZACIVSA-N 1 0 373.478 4.050 20 5 FIBDRO Cc1cccc([C@@H](C)C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000525462295 1109393304 /nfs/dbraw/zinc/39/33/04/1109393304.db2.gz IHQUECVADJYANJ-ZDUSSCGKSA-N 1 0 350.365 4.398 20 5 FIBDRO COc1ccc(OCC[N@H+](Cc2ccc(C)s2)C(C)C)c([N+](=O)[O-])c1 ZINC000441239014 1109505145 /nfs/dbraw/zinc/50/51/45/1109505145.db2.gz ZOBQEJABDVICGJ-UHFFFAOYSA-N 1 0 364.467 4.263 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc3ccccc3c2)n1 ZINC000447526408 1109562357 /nfs/dbraw/zinc/56/23/57/1109562357.db2.gz BHLNRJJQVHCTKP-MOPGFXCFSA-N 1 0 350.422 4.218 20 5 FIBDRO COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447531694 1109568666 /nfs/dbraw/zinc/56/86/66/1109568666.db2.gz SMPKVGZZYBHOSL-RDTXWAMCSA-N 1 0 356.422 4.038 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C(F)(F)F)cc2)n1 ZINC000447532503 1109569593 /nfs/dbraw/zinc/56/95/93/1109569593.db2.gz UGWDXEOBFVOOTP-HUUCEWRRSA-N 1 0 368.359 4.084 20 5 FIBDRO Cc1c2ccccc2oc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447545606 1109574565 /nfs/dbraw/zinc/57/45/65/1109574565.db2.gz RUIXFAOXHIQROR-JKSUJKDBSA-N 1 0 354.410 4.119 20 5 FIBDRO CC(C)(C)Oc1cccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000447589266 1109589058 /nfs/dbraw/zinc/58/90/58/1109589058.db2.gz XHYYTYGMRXYTBR-GOSISDBHSA-N 1 0 355.438 4.334 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000526096954 1109617947 /nfs/dbraw/zinc/61/79/47/1109617947.db2.gz KVYSZXQHQITBEX-IAGOWNOFSA-N 1 0 374.485 4.022 20 5 FIBDRO Cc1nc(-c2ccc(C[NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])o2)cs1 ZINC000449066604 1109972019 /nfs/dbraw/zinc/97/20/19/1109972019.db2.gz DFENXQMOZLQGSM-GFCCVEGCSA-N 1 0 357.435 4.341 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000449118377 1109979687 /nfs/dbraw/zinc/97/96/87/1109979687.db2.gz SFIYMQMZMUCJLD-CQSZACIVSA-N 1 0 359.495 4.084 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000449178086 1109989341 /nfs/dbraw/zinc/98/93/41/1109989341.db2.gz TXFDDKRRHBCSPS-JKSUJKDBSA-N 1 0 350.422 4.062 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000449293419 1110025719 /nfs/dbraw/zinc/02/57/19/1110025719.db2.gz VKKCPWZZYYFRJK-UWVGGRQHSA-N 1 0 359.373 4.352 20 5 FIBDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000449347424 1110036417 /nfs/dbraw/zinc/03/64/17/1110036417.db2.gz GZKINBUVWQTGNQ-HOCLYGCPSA-N 1 0 355.438 4.280 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1nccn1-c1ccccc1 ZINC000449334348 1110039960 /nfs/dbraw/zinc/03/99/60/1110039960.db2.gz XALLESCAYXGMJI-HZPDHXFCSA-N 1 0 350.422 4.062 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000449369659 1110045259 /nfs/dbraw/zinc/04/52/59/1110045259.db2.gz UFCRTQJOGBENBE-UHFFFAOYSA-N 1 0 352.312 4.272 20 5 FIBDRO C[C@H](CCO)CC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000449356171 1110048561 /nfs/dbraw/zinc/04/85/61/1110048561.db2.gz GMKDKAFWZAELNC-AWEZNQCLSA-N 1 0 362.401 4.024 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CC2=CCOCC2)cc1 ZINC000449401913 1110059625 /nfs/dbraw/zinc/05/96/25/1110059625.db2.gz JDTVCSWLNARIOY-UHFFFAOYSA-N 1 0 374.824 4.477 20 5 FIBDRO C[C@H](CCCCO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000449427822 1110065177 /nfs/dbraw/zinc/06/51/77/1110065177.db2.gz POWUJVIWEWQERC-CQSZACIVSA-N 1 0 362.401 4.167 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H](O)C(F)F ZINC000449421574 1110069752 /nfs/dbraw/zinc/06/97/52/1110069752.db2.gz IYVZVFIDRHMFLO-UKRRQHHQSA-N 1 0 374.771 4.002 20 5 FIBDRO Cc1cccnc1CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449487153 1110090352 /nfs/dbraw/zinc/09/03/52/1110090352.db2.gz XGNIJSDPZHIRGN-YLJYHZDGSA-N 1 0 353.466 4.232 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000449517161 1110097338 /nfs/dbraw/zinc/09/73/38/1110097338.db2.gz JAUBNBBGFBUXOE-OHMJOTAUSA-N 1 0 356.466 4.279 20 5 FIBDRO O=C(CCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000450460312 1110298788 /nfs/dbraw/zinc/29/87/88/1110298788.db2.gz NHWMUCIIGBKJLH-UHFFFAOYSA-N 1 0 368.433 4.101 20 5 FIBDRO Cc1cc([C@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C2CC2)ccc1F ZINC000538323548 1111091367 /nfs/dbraw/zinc/09/13/67/1111091367.db2.gz PTPNVMZVGNURSJ-ORAYPTAESA-N 1 0 371.412 4.110 20 5 FIBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000538727236 1111264809 /nfs/dbraw/zinc/26/48/09/1111264809.db2.gz BOIOMEAJFAEFDL-RHSMWYFYSA-N 1 0 374.412 4.262 20 5 FIBDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000538751278 1111281358 /nfs/dbraw/zinc/28/13/58/1111281358.db2.gz ADFBPCKVHHNSPQ-MRXNPFEDSA-N 1 0 373.522 4.487 20 5 FIBDRO CSCC[C@H](CO)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539062305 1111408187 /nfs/dbraw/zinc/40/81/87/1111408187.db2.gz XIWTXFXILBQDSP-QWHCGFSZSA-N 1 0 366.508 4.088 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000539069759 1111418147 /nfs/dbraw/zinc/41/81/47/1111418147.db2.gz WORBNBUZQWADFW-DYVFJYSZSA-N 1 0 373.840 4.013 20 5 FIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000539229866 1111474821 /nfs/dbraw/zinc/47/48/21/1111474821.db2.gz VKXNFZREWRUODM-UHFFFAOYSA-N 1 0 371.437 4.088 20 5 FIBDRO COc1ccc(OCC[NH2+][C@@H](C)c2ccccc2OC(C)C)c([N+](=O)[O-])c1 ZINC000539224555 1111482755 /nfs/dbraw/zinc/48/27/55/1111482755.db2.gz AZPWBLMYFFQGMU-HNNXBMFYSA-N 1 0 374.437 4.120 20 5 FIBDRO CC(C)Sc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000539305434 1111514211 /nfs/dbraw/zinc/51/42/11/1111514211.db2.gz SHFVEBWMEVHGAX-CQSZACIVSA-N 1 0 373.478 4.385 20 5 FIBDRO Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000539370383 1111533386 /nfs/dbraw/zinc/53/33/86/1111533386.db2.gz TUZVNKSGPLDJLJ-LJQANCHMSA-N 1 0 370.449 4.384 20 5 FIBDRO CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000539377061 1111537677 /nfs/dbraw/zinc/53/76/77/1111537677.db2.gz PRLHGKYTPZZQEB-JKSUJKDBSA-N 1 0 361.486 4.124 20 5 FIBDRO COC[C@@H]1CCN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000552084000 1111577606 /nfs/dbraw/zinc/57/76/06/1111577606.db2.gz HZSOWNBHVYRTAX-AWEZNQCLSA-N 1 0 362.813 4.261 20 5 FIBDRO CC[C@H]([NH2+]C[C@](C)(Cc1ccccc1)[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000477853716 1111586341 /nfs/dbraw/zinc/58/63/41/1111586341.db2.gz MRWZABRICCNGGT-NDXORKPFSA-N 1 0 356.466 4.265 20 5 FIBDRO C[C@@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000477911508 1111596729 /nfs/dbraw/zinc/59/67/29/1111596729.db2.gz HYTFIEVTONWYOF-GFCCVEGCSA-N 1 0 369.343 4.128 20 5 FIBDRO C[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)[N@@H+]1CCCC[C@H]1C ZINC000478641288 1111842614 /nfs/dbraw/zinc/84/26/14/1111842614.db2.gz CPELUVHRISAHTG-IAGOWNOFSA-N 1 0 361.489 4.381 20 5 FIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479096586 1111947879 /nfs/dbraw/zinc/94/78/79/1111947879.db2.gz GQAMPMJHZIQBOP-RDTXWAMCSA-N 1 0 364.405 4.023 20 5 FIBDRO CC(C)(CC[NH+]1CCCCCC1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000553540907 1112006193 /nfs/dbraw/zinc/00/61/93/1112006193.db2.gz LTNQHEVQFHZTHI-UHFFFAOYSA-N 1 0 363.487 4.056 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CCc2cccc(C)n2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000479465517 1112034851 /nfs/dbraw/zinc/03/48/51/1112034851.db2.gz SBHIJVVYDVPZNE-NRFANRHFSA-N 1 0 365.433 4.375 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCCc3ccc(F)cc32)n1 ZINC000479478506 1112038232 /nfs/dbraw/zinc/03/82/32/1112038232.db2.gz NCJXTEBRFZRFLU-KZNAEPCWSA-N 1 0 358.417 4.081 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H](NC2CC([NH+]3CCCCC3)C2)c2ccccc2)c1 ZINC000479521271 1112059194 /nfs/dbraw/zinc/05/91/94/1112059194.db2.gz BYVLJJVCIXTDRM-KITAHSCOSA-N 1 0 365.477 4.291 20 5 FIBDRO CCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccc(F)cc1 ZINC000553832783 1112107940 /nfs/dbraw/zinc/10/79/40/1112107940.db2.gz MVWMIYONELQNRZ-UHFFFAOYSA-N 1 0 373.428 4.283 20 5 FIBDRO CCC(=O)c1ccc(NC[C@H](c2cccs2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000479860807 1112165876 /nfs/dbraw/zinc/16/58/76/1112165876.db2.gz GPUVFKLTQJFGPP-QGZVFWFLSA-N 1 0 373.478 4.498 20 5 FIBDRO CCC(=O)c1ccc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000479848990 1112168838 /nfs/dbraw/zinc/16/88/38/1112168838.db2.gz CSEPNZAULISJKY-SFHVURJKSA-N 1 0 359.401 4.041 20 5 FIBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000480068277 1112267071 /nfs/dbraw/zinc/26/70/71/1112267071.db2.gz IZQVCGBCNAEGBN-UHFFFAOYSA-N 1 0 367.877 4.023 20 5 FIBDRO Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NC(=O)C[N@@H+](C)C(C)C ZINC001142588146 1112389782 /nfs/dbraw/zinc/38/97/82/1112389782.db2.gz MPXPREUSBLPCKX-UHFFFAOYSA-N 1 0 364.493 4.041 20 5 FIBDRO Cc1c(C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)cccc1[N+](=O)[O-] ZINC000480456899 1112430854 /nfs/dbraw/zinc/43/08/54/1112430854.db2.gz UEOCBZHSCVXGJS-UHFFFAOYSA-N 1 0 356.813 4.032 20 5 FIBDRO Cc1c(C[NH2+]Cc2ccccc2OCc2ccccn2)cccc1[N+](=O)[O-] ZINC000480476594 1112444201 /nfs/dbraw/zinc/44/42/01/1112444201.db2.gz IWDBOEUMOCGEAU-UHFFFAOYSA-N 1 0 363.417 4.167 20 5 FIBDRO COc1ccc(C)cc1[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000554742768 1112468304 /nfs/dbraw/zinc/46/83/04/1112468304.db2.gz YWVOBBSPXBOMDL-AWEZNQCLSA-N 1 0 353.422 4.286 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000480662341 1112543444 /nfs/dbraw/zinc/54/34/44/1112543444.db2.gz KDAIGCWVNDNDTM-ZDUSSCGKSA-N 1 0 372.856 4.246 20 5 FIBDRO COCC[C@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000555427563 1112836644 /nfs/dbraw/zinc/83/66/44/1112836644.db2.gz BAPMVHONVHDKEC-CYBMUJFWSA-N 1 0 360.376 4.252 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000481289402 1112852668 /nfs/dbraw/zinc/85/26/68/1112852668.db2.gz UOFSORDYTXDFQB-FQEVSTJZSA-N 1 0 367.449 4.363 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000481289403 1112853249 /nfs/dbraw/zinc/85/32/49/1112853249.db2.gz UOFSORDYTXDFQB-HXUWFJFHSA-N 1 0 367.449 4.363 20 5 FIBDRO CCc1noc(C)c1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000555596132 1112940858 /nfs/dbraw/zinc/94/08/58/1112940858.db2.gz KHNZOVKTOWYPQG-UHFFFAOYSA-N 1 0 357.435 4.472 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)CCC2 ZINC000192915223 1113244817 /nfs/dbraw/zinc/24/48/17/1113244817.db2.gz ZKGGRBLXXHPGBD-ZDUSSCGKSA-N 1 0 371.384 4.280 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)CCC2 ZINC000192915212 1113244886 /nfs/dbraw/zinc/24/48/86/1113244886.db2.gz ZKGGRBLXXHPGBD-CYBMUJFWSA-N 1 0 371.384 4.280 20 5 FIBDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000159893802 1113257882 /nfs/dbraw/zinc/25/78/82/1113257882.db2.gz DYLNCLVMLHIVNQ-OAHLLOKOSA-N 1 0 355.438 4.493 20 5 FIBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1F ZINC000593065628 1113257960 /nfs/dbraw/zinc/25/79/60/1113257960.db2.gz ZYUMAPAXVZGCPJ-BBRMVZONSA-N 1 0 359.401 4.110 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](c3ccc(F)cc3)C3CCC3)nc2c1 ZINC000482696353 1113334171 /nfs/dbraw/zinc/33/41/71/1113334171.db2.gz OJDZKJJMTQOEOA-LJQANCHMSA-N 1 0 354.385 4.241 20 5 FIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483240517 1113469761 /nfs/dbraw/zinc/46/97/61/1113469761.db2.gz RIZCLZXBVFSEOJ-ZFWWWQNUSA-N 1 0 358.442 4.464 20 5 FIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000028173875 1113861125 /nfs/dbraw/zinc/86/11/25/1113861125.db2.gz JECJSLDNWHQBPV-UHFFFAOYSA-N 1 0 371.462 4.165 20 5 FIBDRO CC(C)[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000246651133 1113899369 /nfs/dbraw/zinc/89/93/69/1113899369.db2.gz BWNCHOFQZCSZEZ-HUUCEWRRSA-N 1 0 358.442 4.464 20 5 FIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001127034752 1113912023 /nfs/dbraw/zinc/91/20/23/1113912023.db2.gz QXLBXCPAOFOBJK-UHFFFAOYSA-N 1 0 367.449 4.368 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000489005483 1114034096 /nfs/dbraw/zinc/03/40/96/1114034096.db2.gz QEOZCDAWNYDGBM-ZBFHGGJFSA-N 1 0 359.401 4.042 20 5 FIBDRO CCCN(Cc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1C ZINC000490036138 1114206066 /nfs/dbraw/zinc/20/60/66/1114206066.db2.gz VZDOYGSWHHYXBO-MRXNPFEDSA-N 1 0 355.438 4.142 20 5 FIBDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000490083925 1114216270 /nfs/dbraw/zinc/21/62/70/1114216270.db2.gz VECSPTUTRZSQDP-DOTOQJQBSA-N 1 0 368.433 4.148 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000151044592 1114281172 /nfs/dbraw/zinc/28/11/72/1114281172.db2.gz VQLNAFITOSLSMT-INIZCTEOSA-N 1 0 367.449 4.271 20 5 FIBDRO CCN(Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490430387 1114290178 /nfs/dbraw/zinc/29/01/78/1114290178.db2.gz HPUIATFMGSLJNC-GOSISDBHSA-N 1 0 371.456 4.078 20 5 FIBDRO C[N@H+](CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000491035701 1114364951 /nfs/dbraw/zinc/36/49/51/1114364951.db2.gz JRYIZICOBCCNOJ-OAQYLSRUSA-N 1 0 353.466 4.148 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H](O)C2CCCCC2)c2ccccc2)c1 ZINC000491013227 1114365577 /nfs/dbraw/zinc/36/55/77/1114365577.db2.gz ZBNCQKGYYQBTHV-RTWAWAEBSA-N 1 0 354.450 4.215 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)c2ccccc2)c1 ZINC000491060505 1114368557 /nfs/dbraw/zinc/36/85/57/1114368557.db2.gz ODLKPGXYMVLHPR-KNQAVFIVSA-N 1 0 365.477 4.291 20 5 FIBDRO COc1cc(C[N@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491094298 1114372794 /nfs/dbraw/zinc/37/27/94/1114372794.db2.gz XVGYBWVNWJQRSX-TXEJJXNPSA-N 1 0 358.385 4.010 20 5 FIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCc1ccc(F)cc1 ZINC000055023316 1114412158 /nfs/dbraw/zinc/41/21/58/1114412158.db2.gz OPQSPASLHUXEGT-ZDUSSCGKSA-N 1 0 370.384 4.019 20 5 FIBDRO CC(=O)c1cc(NC2CCC([NH+]3CCC(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000588005684 1114509419 /nfs/dbraw/zinc/50/94/19/1114509419.db2.gz ROWITXOROLXFLQ-UHFFFAOYSA-N 1 0 359.470 4.252 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3COc4ccccc43)o2)c1 ZINC000588934314 1114676594 /nfs/dbraw/zinc/67/65/94/1114676594.db2.gz PPKBQFSTLWGNCB-HNNXBMFYSA-N 1 0 350.374 4.121 20 5 FIBDRO CC(C)[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)cn1 ZINC000588959987 1114681260 /nfs/dbraw/zinc/68/12/60/1114681260.db2.gz TVTMWBJAHHPDHU-LJQANCHMSA-N 1 0 356.401 4.140 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H](O)C(F)(F)F ZINC000498373314 1114850586 /nfs/dbraw/zinc/85/05/86/1114850586.db2.gz NCMKSQLAIOTBGK-DOMZBBRYSA-N 1 0 374.384 4.115 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCC(OC(F)F)CC1)C1CC1 ZINC000590780161 1114972575 /nfs/dbraw/zinc/97/25/75/1114972575.db2.gz SIIXNOUNGKYIEQ-GPANFISMSA-N 1 0 354.397 4.056 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H](O)CC1 ZINC000592130392 1115204484 /nfs/dbraw/zinc/20/44/84/1115204484.db2.gz HFUMQUCNMHSXPI-WGSAOQKQSA-N 1 0 358.413 4.040 20 5 FIBDRO Cc1ccccc1C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130379 1115204894 /nfs/dbraw/zinc/20/48/94/1115204894.db2.gz GFDJSGWAADNLOJ-MXVIHJGJSA-N 1 0 354.450 4.209 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2ccccc2)CC1 ZINC000058626267 1115275834 /nfs/dbraw/zinc/27/58/34/1115275834.db2.gz GFQCRTQHMBBYCI-UHFFFAOYSA-N 1 0 367.449 4.111 20 5 FIBDRO CC1(C)C[C@H]([NH2+][C@H](CCO)c2ccccc2F)c2cc([N+](=O)[O-])ccc21 ZINC000592401777 1115303966 /nfs/dbraw/zinc/30/39/66/1115303966.db2.gz COWQLRYRFVWNFV-MOPGFXCFSA-N 1 0 358.413 4.170 20 5 FIBDRO CC[N@H+](Cc1cccs1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000157798514 1115320061 /nfs/dbraw/zinc/32/00/61/1115320061.db2.gz FQDXGXNEQZJBHK-UHFFFAOYSA-N 1 0 355.257 4.441 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC001168404596 1115433980 /nfs/dbraw/zinc/43/39/80/1115433980.db2.gz SUOHCYMFPYJIHW-UGFHNGPFSA-N 1 0 353.260 4.368 20 5 FIBDRO CCc1ccc([C@H]([NH2+][C@@H](C)Cc2ccccn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000594513637 1115457496 /nfs/dbraw/zinc/45/74/96/1115457496.db2.gz DXJASLCRXJCZII-YCRPNKLZSA-N 1 0 365.433 4.455 20 5 FIBDRO C[C@@]1(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1(F)F ZINC000594978641 1115500461 /nfs/dbraw/zinc/50/04/61/1115500461.db2.gz ULUVNHHUMRCBGQ-OAHLLOKOSA-N 1 0 353.394 4.243 20 5 FIBDRO CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595011381 1115503440 /nfs/dbraw/zinc/50/34/40/1115503440.db2.gz MUKHTVZEXZYGFC-AWEZNQCLSA-N 1 0 371.437 4.193 20 5 FIBDRO CC1(C)[C@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1(F)F ZINC000594991217 1115506282 /nfs/dbraw/zinc/50/62/82/1115506282.db2.gz GGPCEJRJGNWAMC-ZDUSSCGKSA-N 1 0 353.394 4.099 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OC3CC3)c1F)CCC2 ZINC000595067018 1115509272 /nfs/dbraw/zinc/50/92/72/1115509272.db2.gz DRNYMGZDLREPNS-SFHVURJKSA-N 1 0 356.397 4.442 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1N1CCCC1)CCCC2 ZINC000595065635 1115509349 /nfs/dbraw/zinc/50/93/49/1115509349.db2.gz IVEDBRIUDDWGAS-FQEVSTJZSA-N 1 0 366.465 4.147 20 5 FIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccc(OC)c(OC)c1 ZINC000595042416 1115511050 /nfs/dbraw/zinc/51/10/50/1115511050.db2.gz FYNXTNFMEDEVSQ-GUYCJALGSA-N 1 0 374.437 4.423 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccc(OC)c(OC)c1 ZINC000595042417 1115511187 /nfs/dbraw/zinc/51/11/87/1115511187.db2.gz FYNXTNFMEDEVSQ-SUMWQHHRSA-N 1 0 374.437 4.423 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000595095288 1115518029 /nfs/dbraw/zinc/51/80/29/1115518029.db2.gz IAKIVKVHCYQSQQ-RVHYNSKXSA-N 1 0 372.465 4.402 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2Sc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000595418114 1115534752 /nfs/dbraw/zinc/53/47/52/1115534752.db2.gz CCSFBGUBSOVQKN-SCLBCKFNSA-N 1 0 371.462 4.057 20 5 FIBDRO CC(C)n1cc(C2=CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000595518305 1115540046 /nfs/dbraw/zinc/54/00/46/1115540046.db2.gz UYIPFKPKEIAVMQ-OAHLLOKOSA-N 1 0 355.442 4.008 20 5 FIBDRO CC(C)n1cc(C2=CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000595518304 1115540199 /nfs/dbraw/zinc/54/01/99/1115540199.db2.gz UYIPFKPKEIAVMQ-HNNXBMFYSA-N 1 0 355.442 4.008 20 5 FIBDRO CC[C@@H](c1ccccc1)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000595857598 1115564549 /nfs/dbraw/zinc/56/45/49/1115564549.db2.gz OUROTSOXJANODB-SFHVURJKSA-N 1 0 355.438 4.055 20 5 FIBDRO CC(C)[N@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000596980195 1115631228 /nfs/dbraw/zinc/63/12/28/1115631228.db2.gz VOARRJMKYOTLBB-OAQYLSRUSA-N 1 0 370.449 4.173 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC3(COC3)C2)ccc1Oc1ccccc1Cl ZINC000597231492 1115650105 /nfs/dbraw/zinc/65/01/05/1115650105.db2.gz YLJUYNRFDVKEFV-UHFFFAOYSA-N 1 0 374.824 4.263 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000597669092 1115679351 /nfs/dbraw/zinc/67/93/51/1115679351.db2.gz PVSWKTPNHRATQT-UHFFFAOYSA-N 1 0 367.449 4.450 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4cccnc4)C3)co2)cc1 ZINC000602853085 1115728665 /nfs/dbraw/zinc/72/86/65/1115728665.db2.gz GULDHSRTGJNOCP-QGZVFWFLSA-N 1 0 364.405 4.024 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000603442334 1115773465 /nfs/dbraw/zinc/77/34/65/1115773465.db2.gz AZZUCIZFLGNHTJ-INIZCTEOSA-N 1 0 367.449 4.110 20 5 FIBDRO CCC(F)(F)C(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000598999877 1115776065 /nfs/dbraw/zinc/77/60/65/1115776065.db2.gz IQNIZWDLHODVIA-UHFFFAOYSA-N 1 0 366.412 4.156 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CO[C@H](C4CC4)C3)o2)c(Cl)c1 ZINC000599008187 1115776377 /nfs/dbraw/zinc/77/63/77/1115776377.db2.gz VOKFCENJWBBZIA-XIKOKIGWSA-N 1 0 362.813 4.165 20 5 FIBDRO COc1ccc(C(C)(C)NCc2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000598996786 1115777622 /nfs/dbraw/zinc/77/76/22/1115777622.db2.gz NJIYGWNAZRPYLO-UHFFFAOYSA-N 1 0 352.793 4.421 20 5 FIBDRO CCC[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599059285 1115785296 /nfs/dbraw/zinc/78/52/96/1115785296.db2.gz ZZZFDBABEXGWMN-GJZGRUSLSA-N 1 0 356.348 4.026 20 5 FIBDRO COc1ccc([C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C2CC2)cn1 ZINC000599095971 1115789125 /nfs/dbraw/zinc/78/91/25/1115789125.db2.gz JPXGRRRNXVAOEN-ICSRJNTNSA-N 1 0 353.422 4.117 20 5 FIBDRO O=[N+]([O-])c1c(NC[C@@H](c2ccccc2)[NH+]2CCCC2)ccc2ncccc21 ZINC000603839073 1115818362 /nfs/dbraw/zinc/81/83/62/1115818362.db2.gz NXHLNEYEVKZBSN-FQEVSTJZSA-N 1 0 362.433 4.392 20 5 FIBDRO O=[N+]([O-])c1c(NC[C@@H](c2ccco2)[NH+]2CCCCC2)ccc2ncccc21 ZINC000603837327 1115820172 /nfs/dbraw/zinc/82/01/72/1115820172.db2.gz JRCINJVGSWKMBJ-SFHVURJKSA-N 1 0 366.421 4.375 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)c3ccccc3)s2)cc1 ZINC000171048821 1115825528 /nfs/dbraw/zinc/82/55/28/1115825528.db2.gz PLNMJQZBPOYHQF-SFHVURJKSA-N 1 0 354.431 4.147 20 5 FIBDRO Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000603910068 1115829578 /nfs/dbraw/zinc/82/95/78/1115829578.db2.gz HYZPLZCVVAPSFC-UHFFFAOYSA-N 1 0 367.449 4.387 20 5 FIBDRO Cc1c(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-] ZINC000599666430 1115834544 /nfs/dbraw/zinc/83/45/44/1115834544.db2.gz OHBLEUPXQKESIC-MRXNPFEDSA-N 1 0 369.248 4.423 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000604435001 1115865212 /nfs/dbraw/zinc/86/52/12/1115865212.db2.gz GHGWRTMZBWNYIM-ZDUSSCGKSA-N 1 0 363.255 4.387 20 5 FIBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521402 1115867050 /nfs/dbraw/zinc/86/70/50/1115867050.db2.gz HXOQFKNHUNIWON-RXVVDRJESA-N 1 0 370.449 4.073 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccc(F)cc1)C(C)C ZINC000604492282 1115867819 /nfs/dbraw/zinc/86/78/19/1115867819.db2.gz PSYFMEQPIROKNJ-UHFFFAOYSA-N 1 0 373.428 4.282 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3CC3CCCC3)o2)cc1 ZINC000594052352 1115979586 /nfs/dbraw/zinc/97/95/86/1115979586.db2.gz FBZMMIHLLUYOCJ-KRWDZBQOSA-N 1 0 356.426 4.190 20 5 FIBDRO COc1ccc(C[NH+]2CCC(CNc3ccc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000063282546 1116033323 /nfs/dbraw/zinc/03/33/23/1116033323.db2.gz MIFHWGCUGDNYEG-UHFFFAOYSA-N 1 0 373.428 4.067 20 5 FIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CCCC3)CC2)c2ncccc12 ZINC000063282639 1116033498 /nfs/dbraw/zinc/03/34/98/1116033498.db2.gz QZYGQCHXARFJFX-UHFFFAOYSA-N 1 0 354.454 4.210 20 5 FIBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000173406720 1116061462 /nfs/dbraw/zinc/06/14/62/1116061462.db2.gz MUJUDAASPODABY-MGPLVRAMSA-N 1 0 355.221 4.286 20 5 FIBDRO CC[C@H]1c2ccsc2CC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000063499028 1116075139 /nfs/dbraw/zinc/07/51/39/1116075139.db2.gz CZVVPPPXNKZYHK-INIZCTEOSA-N 1 0 373.478 4.303 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[NH+]2CCC3(CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000608833421 1116130767 /nfs/dbraw/zinc/13/07/67/1116130767.db2.gz XQJZXTYSCQDCCZ-INIZCTEOSA-N 1 0 359.470 4.277 20 5 FIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCCC[C@@H]1C ZINC000608836450 1116131362 /nfs/dbraw/zinc/13/13/62/1116131362.db2.gz YOJKWFJRZYJBSD-HOTGVXAUSA-N 1 0 357.454 4.207 20 5 FIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCCC[C@H]1C ZINC000608836449 1116131372 /nfs/dbraw/zinc/13/13/72/1116131372.db2.gz YOJKWFJRZYJBSD-CVEARBPZSA-N 1 0 357.454 4.207 20 5 FIBDRO Cc1c(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)cccc1[N+](=O)[O-] ZINC000608977562 1116139327 /nfs/dbraw/zinc/13/93/27/1116139327.db2.gz QVUMDPUHKIXQQQ-SFHVURJKSA-N 1 0 354.406 4.012 20 5 FIBDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594517420 1116208003 /nfs/dbraw/zinc/20/80/03/1116208003.db2.gz BWYQHHVSMRVCDS-ROUUACIJSA-N 1 0 368.433 4.038 20 5 FIBDRO C[C@@H]1C[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000491228788 1116226128 /nfs/dbraw/zinc/22/61/28/1116226128.db2.gz SHXZGAFUMYAYMG-VQIMIIECSA-N 1 0 371.456 4.219 20 5 FIBDRO CC[N@H+](CCc1ccccc1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534810486 1116238213 /nfs/dbraw/zinc/23/82/13/1116238213.db2.gz PIVDWXICAUGOLE-UHFFFAOYSA-N 1 0 351.406 4.314 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)CC)c2)cc1[N+](=O)[O-] ZINC000535065379 1116264230 /nfs/dbraw/zinc/26/42/30/1116264230.db2.gz OHISWGOIECYJQW-CQSZACIVSA-N 1 0 371.437 4.193 20 5 FIBDRO CCOCc1ccccc1C[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000152720147 1116281682 /nfs/dbraw/zinc/28/16/82/1116281682.db2.gz OIQGTXULWTUTDN-HNNXBMFYSA-N 1 0 358.438 4.381 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2Cc3ccccc3C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000535381896 1116301445 /nfs/dbraw/zinc/30/14/45/1116301445.db2.gz DOKFSHHSWXPKCO-UHFFFAOYSA-N 1 0 367.449 4.025 20 5 FIBDRO CC(C)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000535383161 1116301484 /nfs/dbraw/zinc/30/14/84/1116301484.db2.gz ONPZJMUMHWAYJA-IBGZPJMESA-N 1 0 367.449 4.154 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000152768572 1116323672 /nfs/dbraw/zinc/32/36/72/1116323672.db2.gz CJQGAZFZFJBVLE-CHWSQXEVSA-N 1 0 358.394 4.134 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](C[C@H]3CCCO3)C3CCCC3)co2)cc1 ZINC000089905831 1116346911 /nfs/dbraw/zinc/34/69/11/1116346911.db2.gz YDPFUPUHPFAZRI-LJQANCHMSA-N 1 0 371.437 4.173 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](C[C@@H]3CCCO3)C3CCCC3)co2)cc1 ZINC000089905828 1116346929 /nfs/dbraw/zinc/34/69/29/1116346929.db2.gz YDPFUPUHPFAZRI-IBGZPJMESA-N 1 0 371.437 4.173 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000152867604 1116359627 /nfs/dbraw/zinc/35/96/27/1116359627.db2.gz ISBIVSUCBLSAQL-IAGOWNOFSA-N 1 0 369.465 4.171 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCNc3ccccn3)o2)c(Cl)c1 ZINC000539709866 1116368861 /nfs/dbraw/zinc/36/88/61/1116368861.db2.gz ZXTHIXPYZZQLLO-UHFFFAOYSA-N 1 0 372.812 4.105 20 5 FIBDRO C[NH+](C)Cc1cc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)ccc1F ZINC000462841576 1117799831 /nfs/dbraw/zinc/79/98/31/1117799831.db2.gz PQWBFCBQXYRYBV-UHFFFAOYSA-N 1 0 369.343 4.009 20 5 FIBDRO CCc1ccc([C@H]([NH2+][C@H]2CCO[C@@H](C3CC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000462832421 1117802365 /nfs/dbraw/zinc/80/23/65/1117802365.db2.gz HMGGRSGZCKKMGJ-ZLGUVYLKSA-N 1 0 370.449 4.387 20 5 FIBDRO COC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000540150955 1117905788 /nfs/dbraw/zinc/90/57/88/1117905788.db2.gz KBIADDHJNZGJSW-KRWDZBQOSA-N 1 0 368.355 4.133 20 5 FIBDRO C[C@@H]([NH2+]CCc1nc(-c2ccncc2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000540170379 1117912870 /nfs/dbraw/zinc/91/28/70/1117912870.db2.gz RKTLCTKGGQXZTP-CYBMUJFWSA-N 1 0 354.435 4.007 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000540479072 1118079359 /nfs/dbraw/zinc/07/93/59/1118079359.db2.gz TYDSDRPPGZMIKX-HNNXBMFYSA-N 1 0 355.438 4.316 20 5 FIBDRO Cc1ccc([C@H](CC(=O)OC(C)C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000540468891 1118083178 /nfs/dbraw/zinc/08/31/78/1118083178.db2.gz ZNRQSSKQMAYAMH-IBGZPJMESA-N 1 0 356.422 4.076 20 5 FIBDRO COc1cccc2cc([C@@H](C)[NH2+]CCOc3ccc([N+](=O)[O-])cc3)oc21 ZINC000540606019 1118146643 /nfs/dbraw/zinc/14/66/43/1118146643.db2.gz BCBVCHSPTKLWKK-CYBMUJFWSA-N 1 0 356.378 4.079 20 5 FIBDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000540617293 1118153209 /nfs/dbraw/zinc/15/32/09/1118153209.db2.gz KYPYBLLXVBOACX-AEFFLSMTSA-N 1 0 371.481 4.249 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463433793 1118153505 /nfs/dbraw/zinc/15/35/05/1118153505.db2.gz YJESBRCOWWQDAB-XMSQKQJNSA-N 1 0 368.477 4.281 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCOCC2)ccc1Oc1ccc(F)cc1 ZINC000540686624 1118185442 /nfs/dbraw/zinc/18/54/42/1118185442.db2.gz UMOKGIAQVRFOTE-MRXNPFEDSA-N 1 0 360.385 4.185 20 5 FIBDRO C[C@@H]1CC[C@]2(CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000541019605 1118356403 /nfs/dbraw/zinc/35/64/03/1118356403.db2.gz FJXIPSFLPBLOTB-QRWLVFNGSA-N 1 0 355.438 4.304 20 5 FIBDRO C[N@H+](CCCNc1ccc2ncccc2c1[N+](=O)[O-])Cc1ccccc1 ZINC000386566051 1118479141 /nfs/dbraw/zinc/47/91/41/1118479141.db2.gz OWSJYUSMRTZOOJ-UHFFFAOYSA-N 1 0 350.422 4.077 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2nc(-c3ccncc3)cs2)c(Cl)c1 ZINC000541540781 1118547784 /nfs/dbraw/zinc/54/77/84/1118547784.db2.gz QBRXWSHBYWVYKN-UHFFFAOYSA-N 1 0 374.853 4.099 20 5 FIBDRO CC(C)C[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000541625687 1118587658 /nfs/dbraw/zinc/58/76/58/1118587658.db2.gz IIKYCCKIBLURML-CZUORRHYSA-N 1 0 361.467 4.360 20 5 FIBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@@H](C)c3cccnc3)o2)c([N+](=O)[O-])c1 ZINC000541759979 1118633305 /nfs/dbraw/zinc/63/33/05/1118633305.db2.gz BKMNYSKGGROSOO-AWEZNQCLSA-N 1 0 367.405 4.451 20 5 FIBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)cccc1[N+](=O)[O-] ZINC000122463346 1118667967 /nfs/dbraw/zinc/66/79/67/1118667967.db2.gz IKTRVOJMTMPADM-HNNXBMFYSA-N 1 0 367.449 4.493 20 5 FIBDRO COc1ccc(OCC[N@@H+]2C[C@@H](C)C[C@H]2c2ccccc2F)c([N+](=O)[O-])c1 ZINC000464727292 1118674057 /nfs/dbraw/zinc/67/40/57/1118674057.db2.gz VFZXZPRKYLSQRZ-KSSFIOAISA-N 1 0 374.412 4.204 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCO[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000090218011 1118711401 /nfs/dbraw/zinc/71/14/01/1118711401.db2.gz BGEVUHLALHPEJY-ZSZQSSIHSA-N 1 0 350.459 4.095 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](OC)C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000465010996 1118789522 /nfs/dbraw/zinc/78/95/22/1118789522.db2.gz KOGFQKOTHHXTOH-GOSISDBHSA-N 1 0 362.426 4.014 20 5 FIBDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000542306045 1118895043 /nfs/dbraw/zinc/89/50/43/1118895043.db2.gz CKKGYNTZUGUOQG-OAHLLOKOSA-N 1 0 370.405 4.185 20 5 FIBDRO C[C@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO[C@H]1C1CC1 ZINC000542315328 1118899212 /nfs/dbraw/zinc/89/92/12/1118899212.db2.gz RDCKKXRJKHUYIY-OALUTQOASA-N 1 0 358.463 4.371 20 5 FIBDRO CCOc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1OCC ZINC000492050941 1119008378 /nfs/dbraw/zinc/00/83/78/1119008378.db2.gz UHIGIUGWOQJCDG-UHFFFAOYSA-N 1 0 358.438 4.417 20 5 FIBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000492336295 1119071874 /nfs/dbraw/zinc/07/18/74/1119071874.db2.gz VHHYHIDWARQFFC-UHFFFAOYSA-N 1 0 373.884 4.345 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000090455648 1119161685 /nfs/dbraw/zinc/16/16/85/1119161685.db2.gz JDMMUBQJRCUZLF-GXTWGEPZSA-N 1 0 368.462 4.255 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1OC(F)F ZINC000492728791 1119174414 /nfs/dbraw/zinc/17/44/14/1119174414.db2.gz PYWATCFDJHWACZ-CQSZACIVSA-N 1 0 366.364 4.446 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000492912784 1119212486 /nfs/dbraw/zinc/21/24/86/1119212486.db2.gz QCGWLFRTFLOPAQ-HRAATJIYSA-N 1 0 352.434 4.138 20 5 FIBDRO C[NH+](C)CCCOc1ccc(NCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000761517706 1119407930 /nfs/dbraw/zinc/40/79/30/1119407930.db2.gz WWNQZGCBPJLSTD-UHFFFAOYSA-N 1 0 363.845 4.191 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1Cl ZINC000761520663 1119408806 /nfs/dbraw/zinc/40/88/06/1119408806.db2.gz DEOSFRJPUDOMSV-MSOLQXFVSA-N 1 0 364.804 4.397 20 5 FIBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1Cl ZINC000761528199 1119409620 /nfs/dbraw/zinc/40/96/20/1119409620.db2.gz OGCJTHWBSMJCFA-MRXNPFEDSA-N 1 0 355.221 4.379 20 5 FIBDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001203497299 1119723490 /nfs/dbraw/zinc/72/34/90/1119723490.db2.gz PFRYUHMVUSJNNN-WFASDCNBSA-N 1 0 353.260 4.439 20 5 FIBDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001203497298 1119723786 /nfs/dbraw/zinc/72/37/86/1119723786.db2.gz PFRYUHMVUSJNNN-SWLSCSKDSA-N 1 0 353.260 4.439 20 5 FIBDRO C/C(=C\c1ccccc1)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000494262285 1119814399 /nfs/dbraw/zinc/81/43/99/1119814399.db2.gz NDOGBYRROSUPBF-DTQAZKPQSA-N 1 0 367.449 4.267 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CCc2ccccn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542479977 1119822621 /nfs/dbraw/zinc/82/26/21/1119822621.db2.gz ZIYSPLHUIDGBRW-FQEVSTJZSA-N 1 0 351.406 4.067 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@H]2C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000609195453 1119842119 /nfs/dbraw/zinc/84/21/19/1119842119.db2.gz YLOIDUDRSQRXAU-HNNXBMFYSA-N 1 0 358.385 4.215 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc(C(F)(F)F)c1 ZINC000494530741 1119894983 /nfs/dbraw/zinc/89/49/83/1119894983.db2.gz XRSXYCMIRRENLQ-KBRIMQKVSA-N 1 0 372.387 4.299 20 5 FIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000494996006 1120422579 /nfs/dbraw/zinc/42/25/79/1120422579.db2.gz HHLAYMYRHLITRO-ZIAGYGMSSA-N 1 0 369.412 4.117 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH+](Cc2cccc([N+](=O)[O-])c2)C2CCCC2)c1 ZINC000914866033 1120603092 /nfs/dbraw/zinc/60/30/92/1120603092.db2.gz DRNXFDCPILZJNP-UHFFFAOYSA-N 1 0 355.394 4.448 20 5 FIBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)[NH+](C)C)cc1 ZINC000301065443 1120906521 /nfs/dbraw/zinc/90/65/21/1120906521.db2.gz DCWKUNSYHXVAJI-HXUWFJFHSA-N 1 0 350.422 4.166 20 5 FIBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000915308589 1120918807 /nfs/dbraw/zinc/91/88/07/1120918807.db2.gz KMQHZOQJEWCLNY-UHFFFAOYSA-N 1 0 370.881 4.080 20 5 FIBDRO Cc1cc(Br)cc2c1[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000491813590 1120955251 /nfs/dbraw/zinc/95/52/51/1120955251.db2.gz LWVHUUATWBZJIW-INIZCTEOSA-N 1 0 361.239 4.443 20 5 FIBDRO C[C@@H]1C[C@H]1C[NH+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc([N+](=O)[O-])c1 ZINC000915634964 1121012514 /nfs/dbraw/zinc/01/25/14/1121012514.db2.gz QAVCOHOOLYNRLD-PBHICJAKSA-N 1 0 355.394 4.161 20 5 FIBDRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000153689173 1121027132 /nfs/dbraw/zinc/02/71/32/1121027132.db2.gz HYYBIVNQNJYSSZ-VMDGZTHMSA-N 1 0 356.422 4.009 20 5 FIBDRO CC(=O)c1c(NCc2ccccc2C[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000763205154 1121273566 /nfs/dbraw/zinc/27/35/66/1121273566.db2.gz YSKWZTRMPJWRFK-UHFFFAOYSA-N 1 0 355.438 4.250 20 5 FIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(OC[C@H]2CCCO2)c1 ZINC000124287418 1121679794 /nfs/dbraw/zinc/67/97/94/1121679794.db2.gz JGSGLOMXPUQTTM-OXQOHEQNSA-N 1 0 370.449 4.312 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC001649091880 1121724235 /nfs/dbraw/zinc/72/42/35/1121724235.db2.gz VYLKAYFJAZWDOV-OAQYLSRUSA-N 1 0 350.418 4.188 20 5 FIBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000301453258 1122030629 /nfs/dbraw/zinc/03/06/29/1122030629.db2.gz AYFICOWJARLBLH-CQSZACIVSA-N 1 0 355.225 4.011 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000917082346 1122082002 /nfs/dbraw/zinc/08/20/02/1122082002.db2.gz QGLPCCVKSHJELP-ZJUUUORDSA-N 1 0 363.767 4.306 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000497389456 1122202348 /nfs/dbraw/zinc/20/23/48/1122202348.db2.gz MPSBYZVKXWCCHT-HXUWFJFHSA-N 1 0 355.438 4.171 20 5 FIBDRO CCC1CCC([N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)CC1 ZINC000917440619 1122306509 /nfs/dbraw/zinc/30/65/09/1122306509.db2.gz XDRLYTXOABCYEM-UHFFFAOYSA-N 1 0 369.469 4.244 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H](O)C(F)(F)F ZINC000498380728 1122761295 /nfs/dbraw/zinc/76/12/95/1122761295.db2.gz NDGPOPCWGKYLFK-ZFWWWQNUSA-N 1 0 374.384 4.115 20 5 FIBDRO CC[N@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H](C)CO ZINC000556946940 1123266696 /nfs/dbraw/zinc/26/66/96/1123266696.db2.gz TUUIGGUUSJGSAJ-ZDUSSCGKSA-N 1 0 364.829 4.243 20 5 FIBDRO CC1CC[NH+](Cc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CC1 ZINC000609441896 1123714077 /nfs/dbraw/zinc/71/40/77/1123714077.db2.gz VWPQUIABGPHFNR-UHFFFAOYSA-N 1 0 371.412 4.218 20 5 FIBDRO O=[N+]([O-])c1sccc1N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000609625336 1123773097 /nfs/dbraw/zinc/77/30/97/1123773097.db2.gz IRNWDHCOYVGXJX-ZDUSSCGKSA-N 1 0 371.384 4.362 20 5 FIBDRO Cc1ccc(C[NH2+][C@H]2CCCN(c3ccc(F)cc3C)C2)cc1[N+](=O)[O-] ZINC000609770180 1123827396 /nfs/dbraw/zinc/82/73/96/1123827396.db2.gz BKBKSINFFUZSQT-SFHVURJKSA-N 1 0 357.429 4.109 20 5 FIBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000609762404 1123835003 /nfs/dbraw/zinc/83/50/03/1123835003.db2.gz IBMZKMYFADFDSP-LJQANCHMSA-N 1 0 369.421 4.200 20 5 FIBDRO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)[NH+]2CCCC2)cc1 ZINC000609891956 1123881602 /nfs/dbraw/zinc/88/16/02/1123881602.db2.gz RZTNFAOVVQODPG-QGZVFWFLSA-N 1 0 360.845 4.201 20 5 FIBDRO CC[NH+](CC)Cc1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000610038977 1123932580 /nfs/dbraw/zinc/93/25/80/1123932580.db2.gz CXTTWYURQZJGIU-UHFFFAOYSA-N 1 0 369.465 4.353 20 5 FIBDRO C[C@@](CO)([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCCCC1 ZINC000610089103 1123936912 /nfs/dbraw/zinc/93/69/12/1123936912.db2.gz AOUZQQJDMDDDTK-FQEVSTJZSA-N 1 0 358.438 4.276 20 5 FIBDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000610151081 1123948678 /nfs/dbraw/zinc/94/86/78/1123948678.db2.gz PIVDRMNTYCIGRL-UHFFFAOYSA-N 1 0 371.437 4.088 20 5 FIBDRO Cc1cccc(NC2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000610161671 1123952511 /nfs/dbraw/zinc/95/25/11/1123952511.db2.gz GTHPKRWDXPTFGI-UHFFFAOYSA-N 1 0 369.465 4.249 20 5 FIBDRO Cc1nn(C)c(C)c1CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237700145 1124026930 /nfs/dbraw/zinc/02/69/30/1124026930.db2.gz JZKMXWVOBWFFFM-UHFFFAOYSA-N 1 0 370.478 4.006 20 5 FIBDRO CO[C@]1(C(F)(F)F)CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000615842169 1124134737 /nfs/dbraw/zinc/13/47/37/1124134737.db2.gz FEGMVQOEJMOUPX-RCBBPTIPSA-N 1 0 358.360 4.041 20 5 FIBDRO CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765849016 1124193998 /nfs/dbraw/zinc/19/39/98/1124193998.db2.gz NZBANMVCFLMJQW-IERDGZPVSA-N 1 0 372.465 4.404 20 5 FIBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(F)c(Cl)cc1Cl ZINC000765850375 1124205197 /nfs/dbraw/zinc/20/51/97/1124205197.db2.gz XWNRFFHEACJKME-JDNHERCYSA-N 1 0 373.211 4.425 20 5 FIBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001203221688 1124449838 /nfs/dbraw/zinc/44/98/38/1124449838.db2.gz GLMGDNNDQNGRIO-MRVPVSSYSA-N 1 0 368.058 4.031 20 5 FIBDRO CCOc1cc(C[NH+]2CCC3(CC2)OCc2ccccc23)ccc1[N+](=O)[O-] ZINC000617210295 1124484965 /nfs/dbraw/zinc/48/49/65/1124484965.db2.gz RRWLLMUAIALZPY-UHFFFAOYSA-N 1 0 368.433 4.015 20 5 FIBDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000153808490 1124507439 /nfs/dbraw/zinc/50/74/39/1124507439.db2.gz ZYUBAFSLFKUMGZ-CQSZACIVSA-N 1 0 350.422 4.248 20 5 FIBDRO Cc1cc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000153818104 1124527910 /nfs/dbraw/zinc/52/79/10/1124527910.db2.gz WSWKRKZSMXPPMO-IRXDYDNUSA-N 1 0 374.485 4.022 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](c4ccc(Cl)cc4)C3)nc2c1 ZINC000444656128 1124751640 /nfs/dbraw/zinc/75/16/40/1124751640.db2.gz ZNXRBIFBEMMDOI-ZDUSSCGKSA-N 1 0 356.813 4.114 20 5 FIBDRO CC[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(Cl)c1 ZINC001168676905 1124758520 /nfs/dbraw/zinc/75/85/20/1124758520.db2.gz MDVOUPQSDMXJTL-QZTJIDSGSA-N 1 0 373.840 4.094 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301647943 1124826544 /nfs/dbraw/zinc/82/65/44/1124826544.db2.gz FDMCAGMRANHKHA-AWEZNQCLSA-N 1 0 366.893 4.124 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)cc1[N+](=O)[O-] ZINC000153428712 1124951829 /nfs/dbraw/zinc/95/18/29/1124951829.db2.gz OXOALSSJQOFDLC-AWEZNQCLSA-N 1 0 371.437 4.028 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000090845051 1125096735 /nfs/dbraw/zinc/09/67/35/1125096735.db2.gz WJGKZIJOEUFXHD-ZQIUZPCESA-N 1 0 356.422 4.209 20 5 FIBDRO COc1ccc(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000113311143 1125145721 /nfs/dbraw/zinc/14/57/21/1125145721.db2.gz APYFVEGTBUEVFY-UHFFFAOYSA-N 1 0 369.446 4.059 20 5 FIBDRO C[C@H](O)C[C@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000077429333 1125200551 /nfs/dbraw/zinc/20/05/51/1125200551.db2.gz GPZPLEKUXRRTJK-RYUDHWBXSA-N 1 0 352.818 4.005 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(C)n1 ZINC000618798232 1125283273 /nfs/dbraw/zinc/28/32/73/1125283273.db2.gz APLFVYWHEUCIOL-NSHDSACASA-N 1 0 353.344 4.476 20 5 FIBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2OCCc3ccccc32)c2cc([N+](=O)[O-])ccc21 ZINC000618987682 1125412389 /nfs/dbraw/zinc/41/23/89/1125412389.db2.gz ZVRMKCKEZQDPOG-PMACEKPBSA-N 1 0 352.434 4.221 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000182344874 1125426224 /nfs/dbraw/zinc/42/62/24/1125426224.db2.gz JFTPHBFXNSGKPB-STQMWFEESA-N 1 0 361.829 4.234 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000109093173 209298242 /nfs/dbraw/zinc/29/82/42/209298242.db2.gz TYNKWRGRICJEEK-AWEZNQCLSA-N 1 0 359.401 4.064 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000109093821 209297524 /nfs/dbraw/zinc/29/75/24/209297524.db2.gz CBHCQRPJEZVLOA-LJQANCHMSA-N 1 0 353.422 4.069 20 5 FIBDRO CCN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000517900737 567829350 /nfs/dbraw/zinc/82/93/50/567829350.db2.gz VAOCCPZATYKCRX-YLJYHZDGSA-N 1 0 353.466 4.252 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H](OC)c1ccccc1Cl ZINC000481388969 567882849 /nfs/dbraw/zinc/88/28/49/567882849.db2.gz GELRSEWBLXDTMW-XIKOKIGWSA-N 1 0 364.829 4.123 20 5 FIBDRO CCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCCc2cccnc21 ZINC000481397122 567892305 /nfs/dbraw/zinc/89/23/05/567892305.db2.gz BDVMUHLGCIMJJL-KRWDZBQOSA-N 1 0 355.438 4.288 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000481713606 568094031 /nfs/dbraw/zinc/09/40/31/568094031.db2.gz RYXIMSLZCCJTTD-UHFFFAOYSA-N 1 0 360.845 4.028 20 5 FIBDRO CC[C@H](C[N@H+](CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1ccccc1 ZINC000481747656 568108415 /nfs/dbraw/zinc/10/84/15/568108415.db2.gz HXSIWKHAWRBACC-QGZVFWFLSA-N 1 0 369.465 4.357 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccccc3OC(F)F)c2c1 ZINC000568689349 568123318 /nfs/dbraw/zinc/12/33/18/568123318.db2.gz JHUCCNQOGDSLAO-UHFFFAOYSA-N 1 0 361.348 4.010 20 5 FIBDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cn1 ZINC000603682955 568135204 /nfs/dbraw/zinc/13/52/04/568135204.db2.gz RJALKMHNRLDKNR-UHFFFAOYSA-N 1 0 362.433 4.356 20 5 FIBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccccc1C[NH+]1CCCCCC1 ZINC000584676060 568192031 /nfs/dbraw/zinc/19/20/31/568192031.db2.gz PWLLEIDGLOIVBG-UHFFFAOYSA-N 1 0 371.485 4.108 20 5 FIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000482071879 568253879 /nfs/dbraw/zinc/25/38/79/568253879.db2.gz HKRYCWBKFVWWPM-KXBFYZLASA-N 1 0 370.453 4.025 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000568998108 568265509 /nfs/dbraw/zinc/26/55/09/568265509.db2.gz YGMYVAPFVGRGBP-WBMJQRKESA-N 1 0 358.360 4.005 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@](C)(O)C3CC3)cc2[N+](=O)[O-])cc1 ZINC000482127149 568268569 /nfs/dbraw/zinc/26/85/69/568268569.db2.gz CANVJJAHPWYYJD-FQEVSTJZSA-N 1 0 372.490 4.305 20 5 FIBDRO Cc1cccc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000569386203 568400086 /nfs/dbraw/zinc/40/00/86/568400086.db2.gz WFRQKJITAOBGRX-SJLPKXTDSA-N 1 0 367.449 4.028 20 5 FIBDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000182022170 568467966 /nfs/dbraw/zinc/46/79/66/568467966.db2.gz AXQCLWBFYNYVAH-JTQLQIEISA-N 1 0 368.220 4.191 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000570650054 568493727 /nfs/dbraw/zinc/49/37/27/568493727.db2.gz SNIFSZNQHAFVRW-NSHGMRRFSA-N 1 0 370.449 4.044 20 5 FIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165049035 721969385 /nfs/dbraw/zinc/96/93/85/721969385.db2.gz RBBFYSQLOPCUAG-GFCCVEGCSA-N 1 0 373.284 4.141 20 5 FIBDRO CC[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCCC1 ZINC000608836346 1079663888 /nfs/dbraw/zinc/66/38/88/1079663888.db2.gz MZENFVHWYSRUAZ-OAHLLOKOSA-N 1 0 359.495 4.287 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3c(F)cccc3F)o2)cc1 ZINC000608836252 1079835527 /nfs/dbraw/zinc/83/55/27/1079835527.db2.gz VLQQKLBSEKORPD-UHFFFAOYSA-N 1 0 358.344 4.465 20 5 FIBDRO CC[C@@H](NCc1ccc([N+](=O)[O-])cc1OC)c1ccccc1OC(F)F ZINC000430218246 1080003962 /nfs/dbraw/zinc/00/39/62/1080003962.db2.gz JCAWPKNNUPUZGQ-OAHLLOKOSA-N 1 0 366.364 4.446 20 5 FIBDRO Cc1cc(N2CCC(CCC[NH+](C)C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302046229 1080057430 /nfs/dbraw/zinc/05/74/30/1080057430.db2.gz YHCAUYXNZGAEHN-UHFFFAOYSA-N 1 0 356.470 4.010 20 5 FIBDRO Cc1c(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000118792956 1080179865 /nfs/dbraw/zinc/17/98/65/1080179865.db2.gz BWZBKMLQGFNWQL-DOTOQJQBSA-N 1 0 374.485 4.022 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CCOCC1 ZINC000134490690 1080247423 /nfs/dbraw/zinc/24/74/23/1080247423.db2.gz LTNRZTPJYDZSPW-GFCCVEGCSA-N 1 0 364.829 4.413 20 5 FIBDRO COc1ccc(C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C2CC2)cc1 ZINC001167131408 1080661881 /nfs/dbraw/zinc/66/18/81/1080661881.db2.gz OQCJCDIFEVAHGH-MRXNPFEDSA-N 1 0 370.449 4.283 20 5 FIBDRO Cc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cc1[N+](=O)[O-] ZINC000610271004 1080995011 /nfs/dbraw/zinc/99/50/11/1080995011.db2.gz ANQUYKVCAAHGQB-UHFFFAOYSA-N 1 0 360.841 4.352 20 5 FIBDRO COc1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000610278635 1081155653 /nfs/dbraw/zinc/15/56/53/1081155653.db2.gz XJIMYYBWIYFKLA-OAHLLOKOSA-N 1 0 355.438 4.241 20 5 FIBDRO Cc1cnc(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000610283861 1081206540 /nfs/dbraw/zinc/20/65/40/1081206540.db2.gz IOHFXSVJJYYRQH-QGZVFWFLSA-N 1 0 360.845 4.201 20 5 FIBDRO CCN(CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)c1ccccc1C ZINC001648819238 1081244554 /nfs/dbraw/zinc/24/45/54/1081244554.db2.gz SUSQLQIGYJBRRW-VKAVYKQESA-N 1 0 353.466 4.423 20 5 FIBDRO Cc1cnc([C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C2CC2)s1 ZINC000121088317 1081401451 /nfs/dbraw/zinc/40/14/51/1081401451.db2.gz ZUZJRVVPEAYVJI-GOSISDBHSA-N 1 0 372.494 4.069 20 5 FIBDRO C[C@](CO)([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCCC1 ZINC000610089362 1081578611 /nfs/dbraw/zinc/57/86/11/1081578611.db2.gz RBUZPHOCGNKWQQ-HXUWFJFHSA-N 1 0 358.438 4.276 20 5 FIBDRO Cc1c(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000379652728 1081842609 /nfs/dbraw/zinc/84/26/09/1081842609.db2.gz XUNUPXPIQXZDGJ-OXQOHEQNSA-N 1 0 353.466 4.046 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccccc1Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000119267086 1082072871 /nfs/dbraw/zinc/07/28/71/1082072871.db2.gz QLNCGUHBIBDTCE-FQEVSTJZSA-N 1 0 350.422 4.081 20 5 FIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]([NH2+][C@H](C)CC)c1ccco1 ZINC000580981304 1082265715 /nfs/dbraw/zinc/26/57/15/1082265715.db2.gz CBHVLDLJBJRNAX-CXAGYDPISA-N 1 0 374.441 4.001 20 5 FIBDRO C[C@@H](c1ccccc1)N1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000581142670 1082342097 /nfs/dbraw/zinc/34/20/97/1082342097.db2.gz PPIPJEGPZOHRRY-KKSFZXQISA-N 1 0 365.477 4.397 20 5 FIBDRO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000177940006 1082353633 /nfs/dbraw/zinc/35/36/33/1082353633.db2.gz PEBZXJUIONWGGT-RBZFPXEDSA-N 1 0 354.406 4.168 20 5 FIBDRO C[C@H](c1ccccc1)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC001167453965 1082447936 /nfs/dbraw/zinc/44/79/36/1082447936.db2.gz PJLCGCBBOILQMS-IERDGZPVSA-N 1 0 354.450 4.492 20 5 FIBDRO C[C@@H]1C[C@@H](N(C)Cc2csc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000157071665 1082454228 /nfs/dbraw/zinc/45/42/28/1082454228.db2.gz GMCVRSCTZDGNIN-QAPCUYQASA-N 1 0 359.495 4.141 20 5 FIBDRO Cc1ccc(C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)cc1C ZINC001167467065 1082629872 /nfs/dbraw/zinc/62/98/72/1082629872.db2.gz CSBPATOIIAXKAM-UHFFFAOYSA-N 1 0 367.449 4.205 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000175910863 1082704272 /nfs/dbraw/zinc/70/42/72/1082704272.db2.gz GGJXWJLSDJASDK-ABSDTBQOSA-N 1 0 353.466 4.299 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCCN(C(=O)CC2CCCC2)CC1 ZINC000581625830 1082720645 /nfs/dbraw/zinc/72/06/45/1082720645.db2.gz AKAQUFKZDDTHCF-KRWDZBQOSA-N 1 0 373.497 4.079 20 5 FIBDRO COc1ccc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1F ZINC000477270604 1082772813 /nfs/dbraw/zinc/77/28/13/1082772813.db2.gz VMSXEKCXYRFICB-UHFFFAOYSA-N 1 0 370.380 4.335 20 5 FIBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000533818368 1082846757 /nfs/dbraw/zinc/84/67/57/1082846757.db2.gz DGUQSOWQIWKZDP-HNNXBMFYSA-N 1 0 351.328 4.212 20 5 FIBDRO CC(C)c1ccc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC001125536282 1082934503 /nfs/dbraw/zinc/93/45/03/1082934503.db2.gz OEAOKOYWANZLCT-UHFFFAOYSA-N 1 0 373.497 4.056 20 5 FIBDRO Cc1c(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)cccc1[N+](=O)[O-] ZINC000477741221 1083201364 /nfs/dbraw/zinc/20/13/64/1083201364.db2.gz HVFYZKOKCYFZDR-HNNXBMFYSA-N 1 0 365.355 4.484 20 5 FIBDRO CCOc1cc(C[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)ccc1[N+](=O)[O-] ZINC000276897330 1083348462 /nfs/dbraw/zinc/34/84/62/1083348462.db2.gz LDPQQASELGMCRB-CYBMUJFWSA-N 1 0 360.458 4.104 20 5 FIBDRO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000610741159 1083402116 /nfs/dbraw/zinc/40/21/16/1083402116.db2.gz OXCOCBDYNKIBNN-GOEBONIOSA-N 1 0 374.412 4.431 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000179408683 1083453311 /nfs/dbraw/zinc/45/33/11/1083453311.db2.gz YAJHDFDLWWYHBA-QWHCGFSZSA-N 1 0 359.382 4.314 20 5 FIBDRO CCOc1ccccc1[C@@H](CC)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179751582 1083614545 /nfs/dbraw/zinc/61/45/45/1083614545.db2.gz QQPBRAIHLNDBCF-GOEBONIOSA-N 1 0 371.437 4.061 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccccc1C ZINC000535777042 1083652644 /nfs/dbraw/zinc/65/26/44/1083652644.db2.gz IKQFSXSYSBZZPB-DOTOQJQBSA-N 1 0 360.479 4.097 20 5 FIBDRO COc1ccc2[nH]cc(CC[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)c2c1 ZINC000610817708 1083747749 /nfs/dbraw/zinc/74/77/49/1083747749.db2.gz NFAOTGDCIHJCLF-CQSZACIVSA-N 1 0 353.422 4.286 20 5 FIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)c2cccnc12 ZINC000548934329 1083849379 /nfs/dbraw/zinc/84/93/79/1083849379.db2.gz ZTSDSJADSYFCSW-UHFFFAOYSA-N 1 0 355.825 4.471 20 5 FIBDRO CC(C)(C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236662611 1083894397 /nfs/dbraw/zinc/89/43/97/1083894397.db2.gz OXFQSTMASWHWRW-UHFFFAOYSA-N 1 0 350.422 4.336 20 5 FIBDRO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000615966655 1083917006 /nfs/dbraw/zinc/91/70/06/1083917006.db2.gz GTZVEGFWYHVPFG-NZSAHSFTSA-N 1 0 370.497 4.069 20 5 FIBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000411883785 1083919086 /nfs/dbraw/zinc/91/90/86/1083919086.db2.gz DELLUAKMEQHAOT-LRDDRELGSA-N 1 0 361.829 4.316 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000612582020 1083921776 /nfs/dbraw/zinc/92/17/76/1083921776.db2.gz JXTJVKIHKGIGKJ-UHFFFAOYSA-N 1 0 358.413 4.224 20 5 FIBDRO COCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000167638717 1083930688 /nfs/dbraw/zinc/93/06/88/1083930688.db2.gz LTAOCQVYEZIIDX-INIZCTEOSA-N 1 0 358.438 4.088 20 5 FIBDRO Cc1cc(C)n(CCC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000179995819 1083973668 /nfs/dbraw/zinc/97/36/68/1083973668.db2.gz JFAWSNJIERKBRR-NRFANRHFSA-N 1 0 364.449 4.177 20 5 FIBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccc2c(c1)OCCO2 ZINC000178479479 1083983721 /nfs/dbraw/zinc/98/37/21/1083983721.db2.gz KSHGIEHDDZJDFK-KSSFIOAISA-N 1 0 356.422 4.476 20 5 FIBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000511367821 1084004504 /nfs/dbraw/zinc/00/45/04/1084004504.db2.gz VBPVEDTZCUPDAI-UHFFFAOYSA-N 1 0 355.419 4.066 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H]3CCCCC3(F)F)CC2)cc1 ZINC001167499573 1084025156 /nfs/dbraw/zinc/02/51/56/1084025156.db2.gz LFGBZQCDHAOISY-CQSZACIVSA-N 1 0 354.397 4.264 20 5 FIBDRO C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000380523402 1084044509 /nfs/dbraw/zinc/04/45/09/1084044509.db2.gz CMAKKJQSTIGNCL-AGKXRFJRSA-N 1 0 365.477 4.156 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CCCn2ccnc2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000511019929 1084204062 /nfs/dbraw/zinc/20/40/62/1084204062.db2.gz UTVQMPKLFSVWAG-FQEVSTJZSA-N 1 0 368.437 4.024 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCc2cn3ccccc3n2)c2ccccc2)c1 ZINC000180061713 1084211616 /nfs/dbraw/zinc/21/16/16/1084211616.db2.gz XWWSWVQOCIOUNO-QFIPXVFZSA-N 1 0 372.428 4.164 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(F)c(OC)cc32)cc1[N+](=O)[O-] ZINC000511019376 1084213423 /nfs/dbraw/zinc/21/34/23/1084213423.db2.gz VOWVWLSOFLBARZ-SJKOYZFVSA-N 1 0 374.412 4.479 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)c2ccsc2)s1 ZINC000472073460 1084240347 /nfs/dbraw/zinc/24/03/47/1084240347.db2.gz KGBFDXTUSYFHKQ-HNNXBMFYSA-N 1 0 360.460 4.208 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] ZINC000156993156 1084287002 /nfs/dbraw/zinc/28/70/02/1084287002.db2.gz DBBAPJAPLWEVIM-GJZGRUSLSA-N 1 0 369.421 4.272 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)cccc1[N+](=O)[O-] ZINC000157013954 1084294361 /nfs/dbraw/zinc/29/43/61/1084294361.db2.gz DNVSZFPAUKDRPM-LSDHHAIUSA-N 1 0 369.421 4.272 20 5 FIBDRO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000177779820 1084321037 /nfs/dbraw/zinc/32/10/37/1084321037.db2.gz JOZHUOFLIJLRHM-SJORKVTESA-N 1 0 368.355 4.388 20 5 FIBDRO COc1cc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc(OC)c1OC ZINC000157441433 1084382833 /nfs/dbraw/zinc/38/28/33/1084382833.db2.gz WWSRSCXMBKGBRR-UONOGXRCSA-N 1 0 374.437 4.341 20 5 FIBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C12CCCCC2 ZINC001167539407 1084493210 /nfs/dbraw/zinc/49/32/10/1084493210.db2.gz MQIIWLUUIIIFGX-QZTJIDSGSA-N 1 0 350.434 4.294 20 5 FIBDRO COc1cc(C[N@@H+]2CC[C@H](CC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC001167550539 1084673383 /nfs/dbraw/zinc/67/33/83/1084673383.db2.gz WFDPEUDZPBEOND-CYBMUJFWSA-N 1 0 372.412 4.115 20 5 FIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(C2CC2)c1 ZINC000451110258 1084681321 /nfs/dbraw/zinc/68/13/21/1084681321.db2.gz FGWFZRGTARHTEM-GFCCVEGCSA-N 1 0 373.840 4.415 20 5 FIBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000582599150 1084790410 /nfs/dbraw/zinc/79/04/10/1084790410.db2.gz ZASONZBZDMODJE-LBPRGKRZSA-N 1 0 354.328 4.343 20 5 FIBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H]1CCOC(C)(C)C1 ZINC000582270207 1084822836 /nfs/dbraw/zinc/82/28/36/1084822836.db2.gz NVHLOXBHDKAEAM-KRWDZBQOSA-N 1 0 350.459 4.162 20 5 FIBDRO CC[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(OC)cc1 ZINC000582324482 1084868684 /nfs/dbraw/zinc/86/86/84/1084868684.db2.gz VREWNOCYOWRJTI-IBGZPJMESA-N 1 0 353.422 4.368 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000478391725 1084948007 /nfs/dbraw/zinc/94/80/07/1084948007.db2.gz ZMNCZRLBISRMLB-GOSISDBHSA-N 1 0 356.397 4.468 20 5 FIBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000658959167 1084998351 /nfs/dbraw/zinc/99/83/51/1084998351.db2.gz WCVQDJSYRBTLKB-IBGZPJMESA-N 1 0 373.500 4.240 20 5 FIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN(c2ccccc2)C1 ZINC001167586219 1085182667 /nfs/dbraw/zinc/18/26/67/1085182667.db2.gz JCXAVPXIZMXJCP-GOSISDBHSA-N 1 0 359.857 4.349 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccoc1)C1CCCCC1 ZINC000124979921 1085237908 /nfs/dbraw/zinc/23/79/08/1085237908.db2.gz PIGUJDGUSDYRMP-UHFFFAOYSA-N 1 0 371.437 4.270 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000128027764 1085301263 /nfs/dbraw/zinc/30/12/63/1085301263.db2.gz XZYKHSLBNRBKPR-OAHLLOKOSA-N 1 0 370.453 4.284 20 5 FIBDRO CCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000115890268 1085321299 /nfs/dbraw/zinc/32/12/99/1085321299.db2.gz BPPKVIPWZIJDKF-AWEZNQCLSA-N 1 0 359.401 4.064 20 5 FIBDRO CC[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000480091045 1085417907 /nfs/dbraw/zinc/41/79/07/1085417907.db2.gz HZEKZDAQPJQSIH-RTBURBONSA-N 1 0 357.454 4.456 20 5 FIBDRO CCCCOc1ccc([C@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])cc1OC ZINC000549535645 1085460917 /nfs/dbraw/zinc/46/09/17/1085460917.db2.gz ISEPGYCELQVOPD-AWEZNQCLSA-N 1 0 374.437 4.339 20 5 FIBDRO CC(C)c1ccc(C[NH2+]CCCc2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000236716681 1085478428 /nfs/dbraw/zinc/47/84/28/1085478428.db2.gz IMXAHHJTBBQVPB-UHFFFAOYSA-N 1 0 366.465 4.327 20 5 FIBDRO C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178647422 1085566077 /nfs/dbraw/zinc/56/60/77/1085566077.db2.gz DVIQUPSZDVLMMG-HNNXBMFYSA-N 1 0 357.429 4.049 20 5 FIBDRO C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178651770 1085585082 /nfs/dbraw/zinc/58/50/82/1085585082.db2.gz FWVYRNZLRBPSEC-HOTGVXAUSA-N 1 0 359.495 4.219 20 5 FIBDRO C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000178656495 1085681193 /nfs/dbraw/zinc/68/11/93/1085681193.db2.gz FYQDIJVPYISRCV-GFCCVEGCSA-N 1 0 372.812 4.192 20 5 FIBDRO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000178658582 1085684456 /nfs/dbraw/zinc/68/44/56/1085684456.db2.gz MDOYKFVAZBFHOF-GMBSWORKSA-N 1 0 359.495 4.390 20 5 FIBDRO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178682254 1085780858 /nfs/dbraw/zinc/78/08/58/1085780858.db2.gz PYRHHUNVWPSLKV-KBPBESRZSA-N 1 0 359.401 4.029 20 5 FIBDRO C[C@@]1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)OCCc2sccc21 ZINC000572892611 1085913657 /nfs/dbraw/zinc/91/36/57/1085913657.db2.gz KUYLVUCZXXAQKB-XLIONFOSSA-N 1 0 372.490 4.055 20 5 FIBDRO C[C@H](c1cccc(O)c1)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000112599080 1085943079 /nfs/dbraw/zinc/94/30/79/1085943079.db2.gz DZYLXLOCNXDPGS-CQSZACIVSA-N 1 0 367.405 4.191 20 5 FIBDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000112731568 1085951829 /nfs/dbraw/zinc/95/18/29/1085951829.db2.gz ZWCWSJIZNCSOJS-IBGZPJMESA-N 1 0 366.421 4.474 20 5 FIBDRO CC(=O)c1ccc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000079024243 1085981018 /nfs/dbraw/zinc/98/10/18/1085981018.db2.gz UXXSDLLEPIRMIC-IBGZPJMESA-N 1 0 353.422 4.046 20 5 FIBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001167799441 1086430943 /nfs/dbraw/zinc/43/09/43/1086430943.db2.gz ZNUXSCVFMIAPKH-DOMZBBRYSA-N 1 0 353.850 4.087 20 5 FIBDRO CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000583273629 1086508448 /nfs/dbraw/zinc/50/84/48/1086508448.db2.gz WJPQSEXXDLYVKS-LJQANCHMSA-N 1 0 367.449 4.357 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1Cn1ccnc1)CCC2 ZINC000278209341 1086580515 /nfs/dbraw/zinc/58/05/15/1086580515.db2.gz HPJGJMWGECJKAM-NRFANRHFSA-N 1 0 362.433 4.007 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2CC(c3ccccc3)C2)n1 ZINC000549626368 1086745054 /nfs/dbraw/zinc/74/50/54/1086745054.db2.gz QQVHZGXGUBJISJ-FYOYPEGLSA-N 1 0 354.454 4.058 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 ZINC000512172941 1086883502 /nfs/dbraw/zinc/88/35/02/1086883502.db2.gz QMPUSQQZYVBIRU-HNNXBMFYSA-N 1 0 367.449 4.070 20 5 FIBDRO CC[N@@H+](Cc1ccccc1C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728898091 1086895935 /nfs/dbraw/zinc/89/59/35/1086895935.db2.gz WTRCTXPELWZPPK-UHFFFAOYSA-N 1 0 350.422 4.246 20 5 FIBDRO CCCC[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000052486164 1086896191 /nfs/dbraw/zinc/89/61/91/1086896191.db2.gz WIRNUYPPNXBOKR-UHFFFAOYSA-N 1 0 356.470 4.091 20 5 FIBDRO Cc1c(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000246101547 1086897118 /nfs/dbraw/zinc/89/71/18/1086897118.db2.gz BWZBKMLQGFNWQL-WBVHZDCISA-N 1 0 374.485 4.022 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000584146840 1087190756 /nfs/dbraw/zinc/19/07/56/1087190756.db2.gz VCKGLOPUSQGNRC-HOTGVXAUSA-N 1 0 357.429 4.219 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000278658312 1087200198 /nfs/dbraw/zinc/20/01/98/1087200198.db2.gz NXUUAIZRKXQXBT-UHFFFAOYSA-N 1 0 353.422 4.127 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@](C)(Cc1ccccc1)[C@@H](C)O ZINC000584207050 1087219520 /nfs/dbraw/zinc/21/95/20/1087219520.db2.gz VJOAMHCJCAVNLW-CSODHUTKSA-N 1 0 356.466 4.184 20 5 FIBDRO CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000158892746 1087524107 /nfs/dbraw/zinc/52/41/07/1087524107.db2.gz FRGJVPZZEDBPRT-HNNXBMFYSA-N 1 0 355.438 4.493 20 5 FIBDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000409852989 1087610653 /nfs/dbraw/zinc/61/06/53/1087610653.db2.gz BLFXFUUDIRTLHS-ZDUSSCGKSA-N 1 0 361.829 4.270 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000180398070 1087895749 /nfs/dbraw/zinc/89/57/49/1087895749.db2.gz WNAYCTIKNMJVPM-GRDNDAEWSA-N 1 0 373.478 4.059 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180406795 1087900736 /nfs/dbraw/zinc/90/07/36/1087900736.db2.gz AZLNRVNPHVYSQT-CYBMUJFWSA-N 1 0 359.451 4.219 20 5 FIBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180442642 1087914662 /nfs/dbraw/zinc/91/46/62/1087914662.db2.gz MTUUZOPVLKJHKG-HRAATJIYSA-N 1 0 364.449 4.115 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)Oc2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000504900559 1087956294 /nfs/dbraw/zinc/95/62/94/1087956294.db2.gz ZNLHNUQZCDRUIU-LSDHHAIUSA-N 1 0 374.437 4.120 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000504895175 1087968595 /nfs/dbraw/zinc/96/85/95/1087968595.db2.gz RDPQNXPALBGEIB-CVEARBPZSA-N 1 0 363.527 4.072 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC)C1CCOCC1 ZINC000504919603 1087971139 /nfs/dbraw/zinc/97/11/39/1087971139.db2.gz LRVBNDNVPXTPFE-CVEARBPZSA-N 1 0 352.500 4.260 20 5 FIBDRO CCc1noc(CC)c1C[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000504899610 1087971360 /nfs/dbraw/zinc/97/13/60/1087971360.db2.gz JJDUGKPESUZAPA-CYBMUJFWSA-N 1 0 363.483 4.368 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000504917430 1087984067 /nfs/dbraw/zinc/98/40/67/1087984067.db2.gz BSJTZWOTDQPCTQ-HNNXBMFYSA-N 1 0 370.478 4.211 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000504925530 1087993988 /nfs/dbraw/zinc/99/39/88/1087993988.db2.gz DAALYEOHTRDAKT-GFCCVEGCSA-N 1 0 350.365 4.165 20 5 FIBDRO CC[C@H]([NH2+][C@H](CCC(=O)OC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180674999 1088017442 /nfs/dbraw/zinc/01/74/42/1088017442.db2.gz CJOJQZAHROEAEF-RBUKOAKNSA-N 1 0 356.422 4.330 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000311295516 1088530011 /nfs/dbraw/zinc/53/00/11/1088530011.db2.gz CLQXPZMFIAUIFD-IJEWVQPXSA-N 1 0 363.458 4.033 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000311309349 1088539949 /nfs/dbraw/zinc/53/99/49/1088539949.db2.gz ZATNNPXLNOXVCP-GOEBONIOSA-N 1 0 363.458 4.035 20 5 FIBDRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000311309351 1088540373 /nfs/dbraw/zinc/54/03/73/1088540373.db2.gz ZATNNPXLNOXVCP-ZBFHGGJFSA-N 1 0 363.458 4.035 20 5 FIBDRO CC[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000311303485 1088547009 /nfs/dbraw/zinc/54/70/09/1088547009.db2.gz HKRLYMBWVRFUFD-MRXNPFEDSA-N 1 0 363.458 4.083 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)s1 ZINC000514077745 1088713892 /nfs/dbraw/zinc/71/38/92/1088713892.db2.gz YRRXPVYXUSOXAZ-ATZDWAIDSA-N 1 0 370.474 4.371 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000514094187 1088741754 /nfs/dbraw/zinc/74/17/54/1088741754.db2.gz MFLVQYAZVVVZKJ-MJKGWSOKSA-N 1 0 368.481 4.366 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000514094189 1088742245 /nfs/dbraw/zinc/74/22/45/1088742245.db2.gz MFLVQYAZVVVZKJ-ZCDKGFTFSA-N 1 0 368.481 4.366 20 5 FIBDRO C[NH+](C)Cc1ccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)c(F)c1 ZINC000414494056 1088801724 /nfs/dbraw/zinc/80/17/24/1088801724.db2.gz ZMUOMARGVJCGGY-UHFFFAOYSA-N 1 0 369.343 4.009 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000414566736 1088833781 /nfs/dbraw/zinc/83/37/81/1088833781.db2.gz XHVQIDRUEOOYBR-RACPOZDESA-N 1 0 364.445 4.462 20 5 FIBDRO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000434618623 1088867930 /nfs/dbraw/zinc/86/79/30/1088867930.db2.gz PAUGPZXLVFFTTO-LJQANCHMSA-N 1 0 374.412 4.430 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000514211047 1088900750 /nfs/dbraw/zinc/90/07/50/1088900750.db2.gz MYCIIIQHQLSLOL-UHFFFAOYSA-N 1 0 357.376 4.068 20 5 FIBDRO CC[NH+](CC)CC1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000514230199 1088920062 /nfs/dbraw/zinc/92/00/62/1088920062.db2.gz WRWTYUBNNCLPSX-UHFFFAOYSA-N 1 0 359.392 4.172 20 5 FIBDRO Cc1c(F)cccc1NC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000434715064 1088958986 /nfs/dbraw/zinc/95/89/86/1088958986.db2.gz VTSOFDYQRQOKFC-UHFFFAOYSA-N 1 0 373.428 4.282 20 5 FIBDRO Cc1cccc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1C ZINC000430106313 1088995151 /nfs/dbraw/zinc/99/51/51/1088995151.db2.gz PQLGNKCVHVYULU-UHFFFAOYSA-N 1 0 364.449 4.244 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000181539252 1089045278 /nfs/dbraw/zinc/04/52/78/1089045278.db2.gz LGZPIOXUQBGFCK-ZBFHGGJFSA-N 1 0 355.438 4.014 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000434891564 1089097264 /nfs/dbraw/zinc/09/72/64/1089097264.db2.gz IYAINUNAZZKEDM-BQFCYCMXSA-N 1 0 367.449 4.108 20 5 FIBDRO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1c1ccccc1 ZINC000435027209 1089223962 /nfs/dbraw/zinc/22/39/62/1089223962.db2.gz LKKMAZCULYHXPA-WMLDXEAASA-N 1 0 351.406 4.362 20 5 FIBDRO CCn1nccc1C1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000435034463 1089230624 /nfs/dbraw/zinc/23/06/24/1089230624.db2.gz NFPKKQRWUUQZJV-DTQAZKPQSA-N 1 0 354.454 4.094 20 5 FIBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1sccc1Br ZINC000540173349 1089947264 /nfs/dbraw/zinc/94/72/64/1089947264.db2.gz CYCACGQYWNFPAX-SNVBAGLBSA-N 1 0 371.256 4.148 20 5 FIBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000515385660 1089991600 /nfs/dbraw/zinc/99/16/00/1089991600.db2.gz CEXFKOLWNOKGCR-LJQANCHMSA-N 1 0 370.453 4.108 20 5 FIBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCc1ccc(F)cc1 ZINC000104676480 1090293538 /nfs/dbraw/zinc/29/35/38/1090293538.db2.gz JWWYDFAYVVAHGZ-UHFFFAOYSA-N 1 0 369.396 4.106 20 5 FIBDRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000104701025 1090309772 /nfs/dbraw/zinc/30/97/72/1090309772.db2.gz RULFIVAEBHFLIW-LIRRHRJNSA-N 1 0 353.422 4.053 20 5 FIBDRO CC(C)[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236693319 1090500078 /nfs/dbraw/zinc/50/00/78/1090500078.db2.gz TZKZBZUQYOUWMT-QGZVFWFLSA-N 1 0 352.818 4.005 20 5 FIBDRO C[S@](=O)Cc1ccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417332704 1090821461 /nfs/dbraw/zinc/82/14/61/1090821461.db2.gz OLJNIRFNZOITCM-FNZWTVRRSA-N 1 0 372.490 4.031 20 5 FIBDRO C[C@H](CCCc1cccnc1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000584762350 1090849166 /nfs/dbraw/zinc/84/91/66/1090849166.db2.gz MMRLOYWFJHMROZ-OAHLLOKOSA-N 1 0 352.438 4.015 20 5 FIBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000566473838 1090860257 /nfs/dbraw/zinc/86/02/57/1090860257.db2.gz DRYMTPCPZFTWIA-IRXDYDNUSA-N 1 0 354.406 4.094 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3c2cccc3Br)cs1 ZINC000105491812 1091024014 /nfs/dbraw/zinc/02/40/14/1091024014.db2.gz RUOWTGXCSQQYMV-ZDUSSCGKSA-N 1 0 353.241 4.196 20 5 FIBDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500119714 1091052016 /nfs/dbraw/zinc/05/20/16/1091052016.db2.gz AHNOCBSTDMBEJI-IAGOWNOFSA-N 1 0 367.449 4.110 20 5 FIBDRO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500130062 1091055694 /nfs/dbraw/zinc/05/56/94/1091055694.db2.gz CMLYENKFXLYARU-LIRRHRJNSA-N 1 0 371.412 4.146 20 5 FIBDRO COc1cc(C[NH2+]C[C@@H]2CC23CC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000418096497 1091058764 /nfs/dbraw/zinc/05/87/64/1091058764.db2.gz MPNFXBAXRSWNIF-KRWDZBQOSA-N 1 0 368.433 4.072 20 5 FIBDRO COc1ccc(OCC[NH2+][C@@H](C)c2ccc(SC)cc2)c([N+](=O)[O-])c1 ZINC000500235815 1091133025 /nfs/dbraw/zinc/13/30/25/1091133025.db2.gz DKHUNDQENLRYNG-ZDUSSCGKSA-N 1 0 362.451 4.055 20 5 FIBDRO CC(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000500254506 1091147943 /nfs/dbraw/zinc/14/79/43/1091147943.db2.gz IJIFXMYPZASSFN-UHFFFAOYSA-N 1 0 353.216 4.363 20 5 FIBDRO CC1(C)CC(Nc2ccc(Br)cc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000110458019 1091280246 /nfs/dbraw/zinc/28/02/46/1091280246.db2.gz CQBFMRQXRZPNLQ-UHFFFAOYSA-N 1 0 356.264 4.078 20 5 FIBDRO CN(C(=O)C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000053644128 1091282694 /nfs/dbraw/zinc/28/26/94/1091282694.db2.gz POGBBWMEFPNIGG-LJQANCHMSA-N 1 0 373.428 4.074 20 5 FIBDRO Cc1ccccc1[C@@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000728900684 1091800988 /nfs/dbraw/zinc/80/09/88/1091800988.db2.gz PHFNSKKZMIPOKR-GOSISDBHSA-N 1 0 362.433 4.214 20 5 FIBDRO CN(CC1CC[NH+](C)CC1)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000728908975 1092031244 /nfs/dbraw/zinc/03/12/44/1092031244.db2.gz SALQTMRUJDKSQS-UHFFFAOYSA-N 1 0 365.783 4.045 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3OC(F)F)o2)c1 ZINC000500499432 1092147603 /nfs/dbraw/zinc/14/76/03/1092147603.db2.gz DWVJHLNTSFAJNY-GDBMZVCRSA-N 1 0 352.337 4.105 20 5 FIBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000508315651 1092239788 /nfs/dbraw/zinc/23/97/88/1092239788.db2.gz VQKVQPRSJJVXQY-DLBZAZTESA-N 1 0 361.489 4.238 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCc3c(F)cccc3F)o2)c1 ZINC000520955697 1092381049 /nfs/dbraw/zinc/38/10/49/1092381049.db2.gz JBSLXNIYVAQZNR-UHFFFAOYSA-N 1 0 358.344 4.465 20 5 FIBDRO CSc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2Cl)[NH+](C)C)cc1 ZINC000549683671 1092685749 /nfs/dbraw/zinc/68/57/49/1092685749.db2.gz KEIQYJAFHIWGNQ-HNNXBMFYSA-N 1 0 366.874 4.080 20 5 FIBDRO CO[C@H](C)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000443010480 1092914586 /nfs/dbraw/zinc/91/45/86/1092914586.db2.gz BPXJPJZOMFLNJK-GFCCVEGCSA-N 1 0 350.802 4.165 20 5 FIBDRO CCC(CC)(CO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000236909355 1092926059 /nfs/dbraw/zinc/92/60/59/1092926059.db2.gz PYBBUSKYAXQXKS-UHFFFAOYSA-N 1 0 362.401 4.167 20 5 FIBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000521813561 1092928124 /nfs/dbraw/zinc/92/81/24/1092928124.db2.gz ZIZRCKPJESWDFH-HOTGVXAUSA-N 1 0 357.454 4.065 20 5 FIBDRO CC(C)c1ncc(CN(C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000443073855 1092934454 /nfs/dbraw/zinc/93/44/54/1092934454.db2.gz XDZHPWYVQPIEGN-UHFFFAOYSA-N 1 0 366.421 4.400 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3COc4ccccc43)o2)cc1 ZINC000573595623 1092949502 /nfs/dbraw/zinc/94/95/02/1092949502.db2.gz AETKMCMHZDDSSC-HNNXBMFYSA-N 1 0 350.374 4.121 20 5 FIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000184988006 1093190976 /nfs/dbraw/zinc/19/09/76/1093190976.db2.gz HWSBHRAFKQMZHB-LBPRGKRZSA-N 1 0 363.364 4.039 20 5 FIBDRO CN(C)[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000433170078 1093361309 /nfs/dbraw/zinc/36/13/09/1093361309.db2.gz ZTRWHLZLNGQMMW-IAGOWNOFSA-N 1 0 359.495 4.271 20 5 FIBDRO CC[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000512855751 1093455970 /nfs/dbraw/zinc/45/59/70/1093455970.db2.gz JLZDCAHPUJLACC-NBEHIINDSA-N 1 0 356.422 4.366 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000474152576 1093470078 /nfs/dbraw/zinc/47/00/78/1093470078.db2.gz IKBPTSJLNFRIGS-SFHVURJKSA-N 1 0 363.845 4.109 20 5 FIBDRO C[C@H](O)C[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000433280882 1093524651 /nfs/dbraw/zinc/52/46/51/1093524651.db2.gz GFFMZRAGYRLALB-LUQKVYGDSA-N 1 0 368.477 4.462 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)cc1 ZINC000544360650 1093540437 /nfs/dbraw/zinc/54/04/37/1093540437.db2.gz VVLXADDNNLNHEY-HXUWFJFHSA-N 1 0 369.371 4.190 20 5 FIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000513055850 1093705489 /nfs/dbraw/zinc/70/54/89/1093705489.db2.gz FFMYUZWHGICKFO-UIAACRFSSA-N 1 0 358.413 4.175 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CC[C@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000513101298 1093847188 /nfs/dbraw/zinc/84/71/88/1093847188.db2.gz QFLLZWRWYSPQII-RHSMWYFYSA-N 1 0 356.422 4.071 20 5 FIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000513112483 1093854376 /nfs/dbraw/zinc/85/43/76/1093854376.db2.gz ASINPVUHJRKKAS-UHFFFAOYSA-N 1 0 363.820 4.464 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000182627078 1094140744 /nfs/dbraw/zinc/14/07/44/1094140744.db2.gz UMQRPDGYRSAVDV-AWEZNQCLSA-N 1 0 367.405 4.329 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000182773345 1094157996 /nfs/dbraw/zinc/15/79/96/1094157996.db2.gz BUPQKPKWXSJQNA-INIZCTEOSA-N 1 0 373.497 4.125 20 5 FIBDRO COCC1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000513491661 1094160855 /nfs/dbraw/zinc/16/08/55/1094160855.db2.gz VCPGYEFLCBXHFJ-UHFFFAOYSA-N 1 0 374.412 4.385 20 5 FIBDRO CC(C)[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@H](C)O ZINC000513656865 1094258008 /nfs/dbraw/zinc/25/80/08/1094258008.db2.gz YLMLSGDKWNTESO-LBPRGKRZSA-N 1 0 352.818 4.099 20 5 FIBDRO CCCC[N@H+](C)CC1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413068789 1094409200 /nfs/dbraw/zinc/40/92/00/1094409200.db2.gz KAOVYKRBHSZKOM-UHFFFAOYSA-N 1 0 356.470 4.091 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000501225758 1094569803 /nfs/dbraw/zinc/56/98/03/1094569803.db2.gz GUTCCCRTEAVABO-UHFFFAOYSA-N 1 0 367.449 4.184 20 5 FIBDRO C[C@H](c1ccsc1)[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413236029 1094766314 /nfs/dbraw/zinc/76/63/14/1094766314.db2.gz QVYBYQDIVLJZJU-CQSZACIVSA-N 1 0 368.462 4.088 20 5 FIBDRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000501852327 1094970716 /nfs/dbraw/zinc/97/07/16/1094970716.db2.gz QTIOXBXIBINTPN-WMZOPIPTSA-N 1 0 367.449 4.110 20 5 FIBDRO COC[C@@H](C)[NH2+]Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000237167333 1095363971 /nfs/dbraw/zinc/36/39/71/1095363971.db2.gz KPWUNHFEICBSDV-LLVKDONJSA-N 1 0 368.792 4.304 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000502580158 1095610350 /nfs/dbraw/zinc/61/03/50/1095610350.db2.gz GTDKGMVTVCUFJS-HXUWFJFHSA-N 1 0 373.428 4.358 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000444162358 1095796210 /nfs/dbraw/zinc/79/62/10/1095796210.db2.gz AAITYKCCZGPGNG-ORAYPTAESA-N 1 0 371.412 4.064 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC12CCOCC2 ZINC000503919174 1096587145 /nfs/dbraw/zinc/58/71/45/1096587145.db2.gz FGMLURLYFLBKNA-XKGZKEIXSA-N 1 0 358.482 4.245 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCCOC1 ZINC000503914883 1096594838 /nfs/dbraw/zinc/59/48/38/1096594838.db2.gz YDISCUTXQZSDGH-STQMWFEESA-N 1 0 364.829 4.413 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423450734 1096680401 /nfs/dbraw/zinc/68/04/01/1096680401.db2.gz XMDAWZSJVXRWAS-CXAGYDPISA-N 1 0 355.438 4.000 20 5 FIBDRO CC[C@@H](C)[C@@H](C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000532966467 1098635665 /nfs/dbraw/zinc/63/56/65/1098635665.db2.gz JHGWGKNAFOMNCU-VXGBXAGGSA-N 1 0 353.850 4.086 20 5 FIBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000515550479 1098691169 /nfs/dbraw/zinc/69/11/69/1098691169.db2.gz NOTMWHYIWABORN-HOTGVXAUSA-N 1 0 356.470 4.313 20 5 FIBDRO Cc1cc(NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000515550471 1098692372 /nfs/dbraw/zinc/69/23/72/1098692372.db2.gz SOTYIHOMBTXDSO-IAGOWNOFSA-N 1 0 369.465 4.125 20 5 FIBDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000533054657 1098722390 /nfs/dbraw/zinc/72/23/90/1098722390.db2.gz OJMCIWDEOGPGOG-IFXJQAMLSA-N 1 0 353.422 4.053 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000533435038 1099054341 /nfs/dbraw/zinc/05/43/41/1099054341.db2.gz HYLFWBLEDRUPIH-ZVZYQTTQSA-N 1 0 367.449 4.108 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000533521169 1099140760 /nfs/dbraw/zinc/14/07/60/1099140760.db2.gz AILVQOOLTAKGNV-OAQYLSRUSA-N 1 0 367.449 4.363 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2c[nH]c3ncccc23)o1 ZINC000533562367 1099174285 /nfs/dbraw/zinc/17/42/85/1099174285.db2.gz LKMVQZUAEKFAMY-UHFFFAOYSA-N 1 0 362.389 4.063 20 5 FIBDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000237454269 1099549803 /nfs/dbraw/zinc/54/98/03/1099549803.db2.gz MMXAEUWQRRNSBC-STQMWFEESA-N 1 0 364.829 4.147 20 5 FIBDRO COc1cc(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000078265200 1099711223 /nfs/dbraw/zinc/71/12/23/1099711223.db2.gz YJPHYIWIWOOPBX-HNNXBMFYSA-N 1 0 355.438 4.241 20 5 FIBDRO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000506045972 1099889298 /nfs/dbraw/zinc/88/92/98/1099889298.db2.gz OMQSKUXCBMXUHF-UHFFFAOYSA-N 1 0 368.412 4.157 20 5 FIBDRO COc1cc(C)c(C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])cc1OC ZINC000506045223 1099895413 /nfs/dbraw/zinc/89/54/13/1099895413.db2.gz AKLDEKKMANYFHS-CLFYSBASSA-N 1 0 356.422 4.066 20 5 FIBDRO CCOc1ccccc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000536678033 1100170755 /nfs/dbraw/zinc/17/07/55/1100170755.db2.gz RXNCSAACGPSAIZ-UHFFFAOYSA-N 1 0 356.422 4.037 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](Cc4ccncc4)C3)o2)cc1 ZINC000611983802 1100244036 /nfs/dbraw/zinc/24/40/36/1100244036.db2.gz LLCYZNKEYVRKDV-KRWDZBQOSA-N 1 0 363.417 4.314 20 5 FIBDRO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000459533503 1100284392 /nfs/dbraw/zinc/28/43/92/1100284392.db2.gz VXWOSXYBQPHSRF-UHFFFAOYSA-N 1 0 356.451 4.088 20 5 FIBDRO CCOc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1O ZINC000459562078 1100312571 /nfs/dbraw/zinc/31/25/71/1100312571.db2.gz FLNURXSDHRTLNF-NSHDSACASA-N 1 0 350.802 4.203 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000536840821 1100351897 /nfs/dbraw/zinc/35/18/97/1100351897.db2.gz PPYKFYHFJFXYPQ-OAHLLOKOSA-N 1 0 358.438 4.286 20 5 FIBDRO C[C@@H]([NH2+]CCCOc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000536867386 1100384797 /nfs/dbraw/zinc/38/47/97/1100384797.db2.gz BWZDBXWQRZHDOC-OAHLLOKOSA-N 1 0 351.406 4.263 20 5 FIBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCCC[C@H]1C ZINC000517535989 1100473114 /nfs/dbraw/zinc/47/31/14/1100473114.db2.gz SDRQPFVVYTVTAP-HZPDHXFCSA-N 1 0 357.454 4.207 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(C3CC3)cc2F)n1 ZINC000425957368 1100494188 /nfs/dbraw/zinc/49/41/88/1100494188.db2.gz BHHUSOOHWSTZRN-ROUUACIJSA-N 1 0 358.417 4.081 20 5 FIBDRO COCC[N@H+](C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000506353554 1100910481 /nfs/dbraw/zinc/91/04/81/1100910481.db2.gz PZMKUWTWWCTYPK-UHFFFAOYSA-N 1 0 350.802 4.119 20 5 FIBDRO CC(C)c1nnc(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000426293935 1101214536 /nfs/dbraw/zinc/21/45/36/1101214536.db2.gz SCHZZDUQIHSPJU-HOCLYGCPSA-N 1 0 374.510 4.113 20 5 FIBDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1O ZINC000426355629 1101350186 /nfs/dbraw/zinc/35/01/86/1101350186.db2.gz BWPURLLOBNXEFF-GFCCVEGCSA-N 1 0 364.829 4.073 20 5 FIBDRO CC(C)c1ccc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000439426463 1101423272 /nfs/dbraw/zinc/42/32/72/1101423272.db2.gz UEOHSUMWLNBDDU-INIZCTEOSA-N 1 0 361.486 4.103 20 5 FIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537075554 1101438593 /nfs/dbraw/zinc/43/85/93/1101438593.db2.gz WMKGICKQUQHXRZ-AWEZNQCLSA-N 1 0 355.438 4.182 20 5 FIBDRO Cc1ccc([C@H](CC(=O)OC(C)C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000537166148 1101513496 /nfs/dbraw/zinc/51/34/96/1101513496.db2.gz QGGNGYITNVXUFF-IBGZPJMESA-N 1 0 356.422 4.076 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000537179228 1101522716 /nfs/dbraw/zinc/52/27/16/1101522716.db2.gz YOBKWIDUTNVIAD-WMZOPIPTSA-N 1 0 372.465 4.117 20 5 FIBDRO CC(C)N(Cc1c([N+](=O)[O-])ncn1C)Cc1ccc(Cl)c(Cl)c1 ZINC000475750239 1101590306 /nfs/dbraw/zinc/59/03/06/1101590306.db2.gz ACEWIMVWDPXELX-UHFFFAOYSA-N 1 0 357.241 4.046 20 5 FIBDRO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506728636 1101925577 /nfs/dbraw/zinc/92/55/77/1101925577.db2.gz YHNCEEJKMJTEAZ-CYBMUJFWSA-N 1 0 368.462 4.176 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccccc1Cl ZINC000026224941 1101944566 /nfs/dbraw/zinc/94/45/66/1101944566.db2.gz KBBSZKBRSGISQD-UHFFFAOYSA-N 1 0 361.829 4.017 20 5 FIBDRO CCNc1ccc(C(=O)Nc2cccc(C[NH+](CC)CC)c2)cc1[N+](=O)[O-] ZINC000506744798 1101992799 /nfs/dbraw/zinc/99/27/99/1101992799.db2.gz UDHDJOAPKIQNPP-UHFFFAOYSA-N 1 0 370.453 4.121 20 5 FIBDRO Cc1cc(C)c(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000152572905 1102021753 /nfs/dbraw/zinc/02/17/53/1102021753.db2.gz QRFHBIMEWHFQJP-MRXNPFEDSA-N 1 0 355.438 4.118 20 5 FIBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CN1C1CC1 ZINC000237718271 1102121967 /nfs/dbraw/zinc/12/19/67/1102121967.db2.gz 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Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000537658533 1102774034 /nfs/dbraw/zinc/77/40/34/1102774034.db2.gz LMCVEPJNRFOGOR-SFHVURJKSA-N 1 0 364.449 4.226 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@H](c4cccc(F)c4)C3)c2)cc1 ZINC000729471011 1102869089 /nfs/dbraw/zinc/86/90/89/1102869089.db2.gz VVOYXEVKSXVIBO-KRWDZBQOSA-N 1 0 366.396 4.044 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000507008939 1103030548 /nfs/dbraw/zinc/03/05/48/1103030548.db2.gz SGDVAVKVJXLUST-LJQANCHMSA-N 1 0 373.428 4.358 20 5 FIBDRO CC(=O)c1ccc(N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000507003703 1103042236 /nfs/dbraw/zinc/04/22/36/1103042236.db2.gz XVYFNEZWRCHHDQ-RDTXWAMCSA-N 1 0 353.422 4.045 20 5 FIBDRO CC(C)(C)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000507040815 1103057946 /nfs/dbraw/zinc/05/79/46/1103057946.db2.gz QOYMFMJXNFCDON-IBGZPJMESA-N 1 0 373.428 4.440 20 5 FIBDRO CC[N@@H+](Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])CC(C)C ZINC000507133162 1103152320 /nfs/dbraw/zinc/15/23/20/1103152320.db2.gz SRBDZUJYXUEVOO-UHFFFAOYSA-N 1 0 364.364 4.022 20 5 FIBDRO Cc1ccccc1[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000507166440 1103166969 /nfs/dbraw/zinc/16/69/69/1103166969.db2.gz WRHXDNYMBFVNAB-SJORKVTESA-N 1 0 367.449 4.028 20 5 FIBDRO CCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccc(C)cc1 ZINC000532757614 1103185919 /nfs/dbraw/zinc/18/59/19/1103185919.db2.gz LZVMTJNMYGADJO-UHFFFAOYSA-N 1 0 355.438 4.062 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3[C@H]3CCCO3)s2)cc1 ZINC000551563861 1103364247 /nfs/dbraw/zinc/36/42/47/1103364247.db2.gz KWVVDPFFISGUPZ-ZWKOTPCHSA-N 1 0 358.463 4.467 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCc1nc3ccccc3[nH]1)CCC2 ZINC000192741587 1103420730 /nfs/dbraw/zinc/42/07/30/1103420730.db2.gz JSWQBWBCBFWMJL-KRWDZBQOSA-N 1 0 350.422 4.071 20 5 FIBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000538148425 1103997761 /nfs/dbraw/zinc/99/77/61/1103997761.db2.gz ULZGMYXPBVLHAI-OAHLLOKOSA-N 1 0 361.829 4.318 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(c2ccccc2)CCCC1 ZINC000538189069 1104023696 /nfs/dbraw/zinc/02/36/96/1104023696.db2.gz VJIKZDPCDNCTLT-UHFFFAOYSA-N 1 0 367.449 4.291 20 5 FIBDRO O=C(C[NH2+][C@@H](c1ccccc1F)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000538226898 1104046616 /nfs/dbraw/zinc/04/66/16/1104046616.db2.gz ZZWITNZAERHVNP-HXUWFJFHSA-N 1 0 371.412 4.194 20 5 FIBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000843764009 1104061990 /nfs/dbraw/zinc/06/19/90/1104061990.db2.gz FQYNHBMKPILUJH-UHFFFAOYSA-N 1 0 371.412 4.281 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000538277115 1104096760 /nfs/dbraw/zinc/09/67/60/1104096760.db2.gz WOSMKVJJILJCIS-ZDUSSCGKSA-N 1 0 361.829 4.236 20 5 FIBDRO COc1cc(C[N@H+](C)[C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000520525563 1104975220 /nfs/dbraw/zinc/97/52/20/1104975220.db2.gz QQEGRMZFGAAOPV-AAEUAGOBSA-N 1 0 358.385 4.215 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCc2ccncc2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544382081 1106849382 /nfs/dbraw/zinc/84/93/82/1106849382.db2.gz OACXIRKWDIGLOY-OAQYLSRUSA-N 1 0 365.433 4.375 20 5 FIBDRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451108603 1106926854 /nfs/dbraw/zinc/92/68/54/1106926854.db2.gz XHRNMQOCSLBXFI-STQMWFEESA-N 1 0 361.829 4.234 20 5 FIBDRO Cc1c(C[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000451314426 1107019718 /nfs/dbraw/zinc/01/97/18/1107019718.db2.gz WXTKPGTXVITILW-MRXNPFEDSA-N 1 0 368.355 4.135 20 5 FIBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237478414 1107287872 /nfs/dbraw/zinc/28/78/72/1107287872.db2.gz LVFNPWPMXNKXLM-MSOLQXFVSA-N 1 0 364.829 4.149 20 5 FIBDRO C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000248753953 1107376877 /nfs/dbraw/zinc/37/68/77/1107376877.db2.gz CJPTVENTAJLCDW-DVWBAYGPSA-N 1 0 365.477 4.441 20 5 FIBDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000475489445 1107516080 /nfs/dbraw/zinc/51/60/80/1107516080.db2.gz WHBFEHSBCVXQEN-UHFFFAOYSA-N 1 0 350.422 4.090 20 5 FIBDRO Cn1cc([C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(C)(C)C)cn1 ZINC000531206525 1107650385 /nfs/dbraw/zinc/65/03/85/1107650385.db2.gz NGBZZOMFZBLZIV-IBGZPJMESA-N 1 0 368.437 4.465 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000520055967 1107676665 /nfs/dbraw/zinc/67/66/65/1107676665.db2.gz SPZYIMLVKCZQLE-UHFFFAOYSA-N 1 0 367.449 4.387 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCc2ccncc2)cc1[N+](=O)[O-] ZINC000531661021 1108048594 /nfs/dbraw/zinc/04/85/94/1108048594.db2.gz IPGBYICKCOEGOR-UHFFFAOYSA-N 1 0 362.433 4.090 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@H]1c1ccccc1 ZINC000444651928 1108049156 /nfs/dbraw/zinc/04/91/56/1108049156.db2.gz QKKTYNAHAGSCQD-RHSMWYFYSA-N 1 0 350.422 4.097 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000531681409 1108067955 /nfs/dbraw/zinc/06/79/55/1108067955.db2.gz QWVBHTQRPRHTCY-MRXNPFEDSA-N 1 0 354.454 4.139 20 5 FIBDRO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444679270 1108081571 /nfs/dbraw/zinc/08/15/71/1108081571.db2.gz ABADQVYRBKJRHE-CYBMUJFWSA-N 1 0 354.410 4.109 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCCC[C@H]3c3ccccc3)nc2c1 ZINC000444688180 1108089615 /nfs/dbraw/zinc/08/96/15/1108089615.db2.gz XVDZFZGSGLCMMW-DLBZAZTESA-N 1 0 350.422 4.287 20 5 FIBDRO COc1ccc(COCCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000531710234 1108089842 /nfs/dbraw/zinc/08/98/42/1108089842.db2.gz YRJQAEPRJJBXCZ-MRXNPFEDSA-N 1 0 358.438 4.169 20 5 FIBDRO COc1cccc(N2CCC[C@@H]([NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000531712103 1108091015 /nfs/dbraw/zinc/09/10/15/1108091015.db2.gz JRAOTTJACDVACI-IAGOWNOFSA-N 1 0 369.465 4.231 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000531759019 1108127634 /nfs/dbraw/zinc/12/76/34/1108127634.db2.gz AZTIBNRWNRROLQ-CQSZACIVSA-N 1 0 372.421 4.055 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000453245811 1108320948 /nfs/dbraw/zinc/32/09/48/1108320948.db2.gz IUCPXXFRSKRCRT-QWHCGFSZSA-N 1 0 353.422 4.236 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1scnc1C ZINC000453304110 1108391160 /nfs/dbraw/zinc/39/11/60/1108391160.db2.gz HMFFMNSFGKZZRP-CYBMUJFWSA-N 1 0 351.497 4.063 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCc2scnc2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453311986 1108400633 /nfs/dbraw/zinc/40/06/33/1108400633.db2.gz SNWQOAVKHUPTQX-LJQANCHMSA-N 1 0 371.462 4.437 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000531950496 1108434249 /nfs/dbraw/zinc/43/42/49/1108434249.db2.gz RVZOANBPELHXNZ-CVEARBPZSA-N 1 0 357.429 4.219 20 5 FIBDRO CCc1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453342841 1108441263 /nfs/dbraw/zinc/44/12/63/1108441263.db2.gz HYQRNWADCIEMMC-UOLNFUGQSA-N 1 0 369.465 4.054 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000532188009 1108698307 /nfs/dbraw/zinc/69/83/07/1108698307.db2.gz ZEIGGDBBNVSMBC-CRAIPNDOSA-N 1 0 359.495 4.452 20 5 FIBDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000508532502 1108817247 /nfs/dbraw/zinc/81/72/47/1108817247.db2.gz SBKDAXAARZNJHF-UHFFFAOYSA-N 1 0 371.437 4.088 20 5 FIBDRO COc1ccc(C[NH2+]CCCOc2ccc(Cl)cc2C)cc1[N+](=O)[O-] ZINC000524680570 1109116934 /nfs/dbraw/zinc/11/69/34/1109116934.db2.gz GJQOEFNCQODASC-UHFFFAOYSA-N 1 0 364.829 4.124 20 5 FIBDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000525127905 1109272721 /nfs/dbraw/zinc/27/27/21/1109272721.db2.gz RXRLHLQKGSRAIW-QGZVFWFLSA-N 1 0 366.421 4.098 20 5 FIBDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)CCCS2 ZINC000446834956 1109355817 /nfs/dbraw/zinc/35/58/17/1109355817.db2.gz ZJVFHVCSQQELNL-INIZCTEOSA-N 1 0 374.462 4.329 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@@H](O)C(C)C)cc2[N+](=O)[O-])cc1 ZINC000525406013 1109374717 /nfs/dbraw/zinc/37/47/17/1109374717.db2.gz SYECMYRDTGITEQ-GOSISDBHSA-N 1 0 360.479 4.161 20 5 FIBDRO CC(C)C[C@@H]1CCCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000525407907 1109375662 /nfs/dbraw/zinc/37/56/62/1109375662.db2.gz KAYILKRKBYMASY-KRWDZBQOSA-N 1 0 358.442 4.436 20 5 FIBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000441208068 1109458458 /nfs/dbraw/zinc/45/84/58/1109458458.db2.gz NUWQDLJECOAJAC-SFHVURJKSA-N 1 0 356.422 4.128 20 5 FIBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000525707231 1109487434 /nfs/dbraw/zinc/48/74/34/1109487434.db2.gz BALAAOSUJZHFQY-UGSOOPFHSA-N 1 0 361.467 4.160 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCCCC3)nc1)CCC2 ZINC000447528176 1109563015 /nfs/dbraw/zinc/56/30/15/1109563015.db2.gz HIAAZQIRTIATOE-HXUWFJFHSA-N 1 0 366.465 4.147 20 5 FIBDRO Cc1c2ccccc2oc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447545603 1109574634 /nfs/dbraw/zinc/57/46/34/1109574634.db2.gz RUIXFAOXHIQROR-CVEARBPZSA-N 1 0 354.410 4.119 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449092909 1109978704 /nfs/dbraw/zinc/97/87/04/1109978704.db2.gz VTYVTMJHWYDTON-AWEZNQCLSA-N 1 0 365.202 4.274 20 5 FIBDRO COc1ccc(C(C)(C)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000449122830 1109980853 /nfs/dbraw/zinc/98/08/53/1109980853.db2.gz MBZZDODLDLHUIC-OAHLLOKOSA-N 1 0 372.465 4.110 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000449256828 1110008155 /nfs/dbraw/zinc/00/81/55/1110008155.db2.gz FUVRKSUGFYRLLO-CHWSQXEVSA-N 1 0 370.384 4.066 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000449349941 1110038232 /nfs/dbraw/zinc/03/82/32/1110038232.db2.gz SHRRUBHAGNBUQK-YWZLYKJASA-N 1 0 356.422 4.003 20 5 FIBDRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000449363775 1110049701 /nfs/dbraw/zinc/04/97/01/1110049701.db2.gz OTXCJPSGEWBZPS-TUAOUCFPSA-N 1 0 374.359 4.013 20 5 FIBDRO C[C@H](CCCO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000449407591 1110061046 /nfs/dbraw/zinc/06/10/46/1110061046.db2.gz IPTTUAPOFQAXQV-GFCCVEGCSA-N 1 0 352.818 4.006 20 5 FIBDRO CC(C)OCCOC1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000449729797 1110154726 /nfs/dbraw/zinc/15/47/26/1110154726.db2.gz ONFBQBIXCBGDQJ-UHFFFAOYSA-N 1 0 364.486 4.124 20 5 FIBDRO CCC1(O)CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000538717737 1111260525 /nfs/dbraw/zinc/26/05/25/1111260525.db2.gz VICCTCHRUMJCLW-UHFFFAOYSA-N 1 0 364.829 4.245 20 5 FIBDRO CCC1(CO)CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000538719463 1111260540 /nfs/dbraw/zinc/26/05/40/1111260540.db2.gz MRJKCBPEROUPAC-UHFFFAOYSA-N 1 0 360.479 4.308 20 5 FIBDRO CSc1cc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000539038483 1111393468 /nfs/dbraw/zinc/39/34/68/1111393468.db2.gz YWKBEPHYLDAVCJ-WBVHZDCISA-N 1 0 357.479 4.213 20 5 FIBDRO CSc1cc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000539038482 1111393734 /nfs/dbraw/zinc/39/37/34/1111393734.db2.gz YWKBEPHYLDAVCJ-RDJZCZTQSA-N 1 0 357.479 4.213 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000539055886 1111403122 /nfs/dbraw/zinc/40/31/22/1111403122.db2.gz MSUJWXJGRFUFCU-XERREHJYSA-N 1 0 369.465 4.090 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000539261474 1111498771 /nfs/dbraw/zinc/49/87/71/1111498771.db2.gz QTTGOLXYYXBIRD-HXUWFJFHSA-N 1 0 355.438 4.137 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(C(C)C)c2)cc1[N+](=O)[O-] ZINC000539376502 1111542860 /nfs/dbraw/zinc/54/28/60/1111542860.db2.gz HJXGKDAKRLACHB-HNNXBMFYSA-N 1 0 355.438 4.316 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC4(CCOCC4)[C@H]3C3CC3)o2)cc1 ZINC000552129822 1111594763 /nfs/dbraw/zinc/59/47/63/1111594763.db2.gz LRXGGILLNDQBEG-HXUWFJFHSA-N 1 0 368.433 4.246 20 5 FIBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)CCOc1cccc([N+](=O)[O-])c1)CCC2 ZINC000478047014 1111664282 /nfs/dbraw/zinc/66/42/82/1111664282.db2.gz KVIFQAGGHKSSJP-INIZCTEOSA-N 1 0 361.467 4.002 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(C4CCOCC4)CC3)o2)cc1 ZINC000552346365 1111682316 /nfs/dbraw/zinc/68/23/16/1111682316.db2.gz JNERHULMJGSRBJ-UHFFFAOYSA-N 1 0 370.449 4.493 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](CO)CC2)ccc1Oc1ccc(F)cc1 ZINC000552422882 1111707975 /nfs/dbraw/zinc/70/79/75/1111707975.db2.gz HCVCAMWBTHURID-OAHLLOKOSA-N 1 0 374.412 4.121 20 5 FIBDRO C[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)[N@@H+]1CCCC[C@@H]1C ZINC000478641287 1111842485 /nfs/dbraw/zinc/84/24/85/1111842485.db2.gz CPELUVHRISAHTG-DLBZAZTESA-N 1 0 361.489 4.381 20 5 FIBDRO COc1cc2c(cc1OC)[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000479384448 1112006299 /nfs/dbraw/zinc/00/62/99/1112006299.db2.gz DDLKPNQZSXHGSA-CXAGYDPISA-N 1 0 356.422 4.259 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@@H]2CCCc3ccc(F)cc32)n1 ZINC000479478505 1112038322 /nfs/dbraw/zinc/03/83/22/1112038322.db2.gz NCJXTEBRFZRFLU-KURKYZTESA-N 1 0 358.417 4.081 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000479747789 1112128995 /nfs/dbraw/zinc/12/89/95/1112128995.db2.gz CURBRZXHYHXLJB-UHFFFAOYSA-N 1 0 362.474 4.069 20 5 FIBDRO COc1ccccc1[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000479877903 1112174281 /nfs/dbraw/zinc/17/42/81/1112174281.db2.gz ZPBRPRPDHFGCEC-OXQOHEQNSA-N 1 0 369.465 4.091 20 5 FIBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000554047092 1112174872 /nfs/dbraw/zinc/17/48/72/1112174872.db2.gz ACPKDAHBFKVWEI-DNVCBOLYSA-N 1 0 370.453 4.025 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccccc1OC(F)F)C1CC1 ZINC000480239088 1112345201 /nfs/dbraw/zinc/34/52/01/1112345201.db2.gz DSWDVWBVDFCJLX-MRXNPFEDSA-N 1 0 362.376 4.307 20 5 FIBDRO CCOCc1ccccc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480270517 1112354933 /nfs/dbraw/zinc/35/49/33/1112354933.db2.gz ZVDPHOSYQRZIDQ-HXUWFJFHSA-N 1 0 354.450 4.242 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)cc1[N+](=O)[O-] ZINC000480459152 1112438094 /nfs/dbraw/zinc/43/80/94/1112438094.db2.gz GRXRSZJQTHDGEX-QGZVFWFLSA-N 1 0 356.470 4.143 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)cc1[N+](=O)[O-] ZINC000554735811 1112464770 /nfs/dbraw/zinc/46/47/70/1112464770.db2.gz YBJNFOJPVNABPU-KRWDZBQOSA-N 1 0 351.406 4.252 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H](c3cccnc3)C3CCC3)c2c1 ZINC000554741731 1112466937 /nfs/dbraw/zinc/46/69/37/1112466937.db2.gz MURKNVZSNVQCNQ-FQEVSTJZSA-N 1 0 350.422 4.145 20 5 FIBDRO CC(C)[C@](C)(CO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000554982451 1112607369 /nfs/dbraw/zinc/60/73/69/1112607369.db2.gz RUJHDCIJXHQVCX-IBGZPJMESA-N 1 0 362.401 4.023 20 5 FIBDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000159902113 1113264212 /nfs/dbraw/zinc/26/42/12/1113264212.db2.gz VWZNWXLJGZNIGJ-OAHLLOKOSA-N 1 0 355.438 4.493 20 5 FIBDRO COc1cc(OC)c([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000482516200 1113282090 /nfs/dbraw/zinc/28/20/90/1113282090.db2.gz WVBKSYHPPLHLFD-LBPRGKRZSA-N 1 0 364.829 4.159 20 5 FIBDRO CCCCNC(=O)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000160109183 1113301340 /nfs/dbraw/zinc/30/13/40/1113301340.db2.gz SOKUYAHSZCMVMR-MRXNPFEDSA-N 1 0 369.465 4.284 20 5 FIBDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000482697816 1113334861 /nfs/dbraw/zinc/33/48/61/1113334861.db2.gz WJYGMSIRVVESSF-GJZGRUSLSA-N 1 0 350.422 4.158 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)C1CC1 ZINC000160690475 1113435393 /nfs/dbraw/zinc/43/53/93/1113435393.db2.gz AWTFBCNTVPKGGL-PMACEKPBSA-N 1 0 354.450 4.019 20 5 FIBDRO CCOc1cc(NCc2cccc(C[NH+]3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000486164597 1113519225 /nfs/dbraw/zinc/51/92/25/1113519225.db2.gz HHHFRHVCJAVGMS-UHFFFAOYSA-N 1 0 355.438 4.201 20 5 FIBDRO CCOc1cc(NC[C@@H](c2cccs2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000486418480 1113562920 /nfs/dbraw/zinc/56/29/20/1113562920.db2.gz LWZXEWLNPLEMRJ-INIZCTEOSA-N 1 0 361.467 4.304 20 5 FIBDRO COc1ccc(C[NH2+]C[C@H]2CC2(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000489077641 1114045604 /nfs/dbraw/zinc/04/56/04/1114045604.db2.gz KKAJVADRAXLAGS-QGZVFWFLSA-N 1 0 370.449 4.318 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000489253330 1114078276 /nfs/dbraw/zinc/07/82/76/1114078276.db2.gz GPEAHWSVULKFPB-AWEZNQCLSA-N 1 0 358.442 4.350 20 5 FIBDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000489420439 1114105346 /nfs/dbraw/zinc/10/53/46/1114105346.db2.gz GRGNPASRFINXHY-KRWDZBQOSA-N 1 0 368.481 4.289 20 5 FIBDRO COc1cc(C[N@H+](C)C2(C)CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000489895996 1114183755 /nfs/dbraw/zinc/18/37/55/1114183755.db2.gz ZRTUAKDCXLZRCP-UHFFFAOYSA-N 1 0 358.385 4.012 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490029412 1114204576 /nfs/dbraw/zinc/20/45/76/1114204576.db2.gz JWNJZOWXUYFNEI-AZUAARDMSA-N 1 0 367.493 4.418 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000151049691 1114283859 /nfs/dbraw/zinc/28/38/59/1114283859.db2.gz WJBUQGFBFFXTCF-FQEVSTJZSA-N 1 0 367.449 4.353 20 5 FIBDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000055152142 1114421895 /nfs/dbraw/zinc/42/18/95/1114421895.db2.gz RNSVBDKJOOHGKJ-HUUCEWRRSA-N 1 0 371.437 4.060 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000156885947 1114631318 /nfs/dbraw/zinc/63/13/18/1114631318.db2.gz OFLDOOVFQHSBDG-GJZGRUSLSA-N 1 0 353.422 4.133 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCC2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000572409377 1114636192 /nfs/dbraw/zinc/63/61/92/1114636192.db2.gz KVAVAWWKIXLSOV-UQPPLGOBSA-N 1 0 350.459 4.239 20 5 FIBDRO CCN(CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000249718934 1114659037 /nfs/dbraw/zinc/65/90/37/1114659037.db2.gz YBBUMHJIRJZELJ-GCJKJVERSA-N 1 0 367.493 4.295 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000588930216 1114676164 /nfs/dbraw/zinc/67/61/64/1114676164.db2.gz UBOQZXIOULZKNG-RKCSUWQLSA-N 1 0 360.841 4.017 20 5 FIBDRO C[NH+](C)[C@@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000589103479 1114696924 /nfs/dbraw/zinc/69/69/24/1114696924.db2.gz MCJXGCWTJUDSLS-INIZCTEOSA-N 1 0 353.344 4.386 20 5 FIBDRO COc1ccc(C[NH+]2CC(C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000589736690 1114836819 /nfs/dbraw/zinc/83/68/19/1114836819.db2.gz BAGVZKUMYAVPMG-UHFFFAOYSA-N 1 0 368.433 4.024 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000590061081 1114891133 /nfs/dbraw/zinc/89/11/33/1114891133.db2.gz DWIOKKMAWNOEOA-UHFFFAOYSA-N 1 0 357.479 4.149 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3CCC(OC(F)F)CC3)o2)c1 ZINC000590662516 1114961330 /nfs/dbraw/zinc/96/13/30/1114961330.db2.gz ZFRWGKWDVWTZKC-UHFFFAOYSA-N 1 0 366.364 4.495 20 5 FIBDRO CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000167147950 1115206450 /nfs/dbraw/zinc/20/64/50/1115206450.db2.gz SEAJWGVFYAQSOW-KRWDZBQOSA-N 1 0 372.465 4.478 20 5 FIBDRO Cc1ccccc1-n1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000592365539 1115219334 /nfs/dbraw/zinc/21/93/34/1115219334.db2.gz ZXYLAHJNBYJARL-UHFFFAOYSA-N 1 0 350.422 4.114 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000573981324 1115227512 /nfs/dbraw/zinc/22/75/12/1115227512.db2.gz NJRSOKWHOIOLHZ-SJLPKXTDSA-N 1 0 357.479 4.070 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](c2ccccc2)C2CC2)n1 ZINC000574059880 1115288189 /nfs/dbraw/zinc/28/81/89/1115288189.db2.gz XIJKOYVLZNHJEZ-GBESFXJTSA-N 1 0 354.454 4.058 20 5 FIBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1F ZINC000594019956 1115364869 /nfs/dbraw/zinc/36/48/69/1115364869.db2.gz WFJNVPGUMUBMDW-QGZVFWFLSA-N 1 0 359.401 4.112 20 5 FIBDRO Cc1nn(-c2ccccc2F)cc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000594498677 1115450755 /nfs/dbraw/zinc/45/07/55/1115450755.db2.gz SQTNIRHSXZMOCR-UHFFFAOYSA-N 1 0 368.412 4.253 20 5 FIBDRO COc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000594520423 1115459061 /nfs/dbraw/zinc/45/90/61/1115459061.db2.gz PJVVFFJRZSBURU-WMLDXEAASA-N 1 0 356.422 4.038 20 5 FIBDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000594520424 1115459289 /nfs/dbraw/zinc/45/92/89/1115459289.db2.gz PJVVFFJRZSBURU-YOEHRIQHSA-N 1 0 356.422 4.038 20 5 FIBDRO COc1cccc2c1OCC[C@@H]2[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000594523078 1115460098 /nfs/dbraw/zinc/46/00/98/1115460098.db2.gz NAFUHDLHXYSGAK-BJRSVTDJSA-N 1 0 354.406 4.120 20 5 FIBDRO Cc1cc(Br)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)s1 ZINC000594976864 1115500426 /nfs/dbraw/zinc/50/04/26/1115500426.db2.gz HZYMLRNBFKFPBP-UHFFFAOYSA-N 1 0 355.257 4.325 20 5 FIBDRO COC[C@@H](C)Oc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000594941843 1115501633 /nfs/dbraw/zinc/50/16/33/1115501633.db2.gz VHNCJDVFZNJHCB-CVEARBPZSA-N 1 0 358.438 4.168 20 5 FIBDRO COC[C@H](C)Oc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000594941844 1115501730 /nfs/dbraw/zinc/50/17/30/1115501730.db2.gz VHNCJDVFZNJHCB-HOTGVXAUSA-N 1 0 358.438 4.168 20 5 FIBDRO COC1CC(CC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000594959307 1115502604 /nfs/dbraw/zinc/50/26/04/1115502604.db2.gz BLROCVYGSTVOMC-UHFFFAOYSA-N 1 0 374.412 4.431 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000595015868 1115503920 /nfs/dbraw/zinc/50/39/20/1115503920.db2.gz UNLLPCPNRCPZPJ-LBPRGKRZSA-N 1 0 366.364 4.098 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000595008901 1115508190 /nfs/dbraw/zinc/50/81/90/1115508190.db2.gz XNWLZZVREOVRMO-NSHDSACASA-N 1 0 354.328 4.473 20 5 FIBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000595031324 1115510155 /nfs/dbraw/zinc/51/01/55/1115510155.db2.gz CKXIKMCSYPTGFT-XUWXXGDYSA-N 1 0 350.459 4.238 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000595031396 1115510174 /nfs/dbraw/zinc/51/01/74/1115510174.db2.gz FOKNEHUEKOBTRP-AXHNFQJDSA-N 1 0 374.412 4.313 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000595033811 1115510475 /nfs/dbraw/zinc/51/04/75/1115510475.db2.gz DEAULDPMSUYTAS-FTRWYGJKSA-N 1 0 370.449 4.422 20 5 FIBDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041144 1115511253 /nfs/dbraw/zinc/51/12/53/1115511253.db2.gz YSDPAVRWAUGQBP-DIFFPNOSSA-N 1 0 360.385 4.089 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000595052774 1115512653 /nfs/dbraw/zinc/51/26/53/1115512653.db2.gz VTYWYGXZELQDGQ-KGLIPLIRSA-N 1 0 374.437 4.341 20 5 FIBDRO Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000595099130 1115516182 /nfs/dbraw/zinc/51/61/82/1115516182.db2.gz ROHUFQCGOLFPDL-GOSISDBHSA-N 1 0 354.454 4.108 20 5 FIBDRO C[C@H]([NH2+]Cc1cccc(COC[C@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000595102450 1115516215 /nfs/dbraw/zinc/51/62/15/1115516215.db2.gz ICGBBWHTHIMFRU-HRAATJIYSA-N 1 0 370.449 4.141 20 5 FIBDRO Cc1noc(C[NH2+][C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000595433458 1115536146 /nfs/dbraw/zinc/53/61/46/1115536146.db2.gz WWUUFVJANORAQW-NXEZZACHSA-N 1 0 357.332 4.192 20 5 FIBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](CC2CC2)c2ccccc2)c1 ZINC000593020614 1115538508 /nfs/dbraw/zinc/53/85/08/1115538508.db2.gz QECHYLZEQRGZQE-SFHVURJKSA-N 1 0 354.406 4.012 20 5 FIBDRO O=C(CC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000595673467 1115556204 /nfs/dbraw/zinc/55/62/04/1115556204.db2.gz FJOVOXWSRUFMQS-IBGZPJMESA-N 1 0 369.421 4.134 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC[C@H]3CC3CCC3)o2)cc1 ZINC000595866170 1115565092 /nfs/dbraw/zinc/56/50/92/1115565092.db2.gz FUFWVJFYDMBQTL-KRWDZBQOSA-N 1 0 356.426 4.190 20 5 FIBDRO Cc1cc(N2CCC[C@@H]([C@@H]3CCCCO3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596506748 1115595692 /nfs/dbraw/zinc/59/56/92/1115595692.db2.gz SWBPYOXLTHENHT-QRWLVFNGSA-N 1 0 355.438 4.237 20 5 FIBDRO COCC1(C2CCC2)C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000597194196 1115646322 /nfs/dbraw/zinc/64/63/22/1115646322.db2.gz YSJMXFSNRIJWGH-UHFFFAOYSA-N 1 0 356.422 4.103 20 5 FIBDRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000061001160 1115747685 /nfs/dbraw/zinc/74/76/85/1115747685.db2.gz LWIFADLMKOWGBD-OAHLLOKOSA-N 1 0 370.453 4.319 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC001168413872 1115752386 /nfs/dbraw/zinc/75/23/86/1115752386.db2.gz LMYCQLDVBODHJK-HXUWFJFHSA-N 1 0 369.465 4.013 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2CCCOC2)ccc1Oc1ccc(F)cc1 ZINC000598985810 1115773578 /nfs/dbraw/zinc/77/35/78/1115773578.db2.gz ZDGVYBIQCAATLU-HNNXBMFYSA-N 1 0 374.412 4.433 20 5 FIBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000599014485 1115778988 /nfs/dbraw/zinc/77/89/88/1115778988.db2.gz AZZWGYHFQLQESI-VDISTLRHSA-N 1 0 350.802 4.023 20 5 FIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000603643418 1115801010 /nfs/dbraw/zinc/80/10/10/1115801010.db2.gz ICXTXABZVFERMJ-UHFFFAOYSA-N 1 0 370.453 4.067 20 5 FIBDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cc(OC)c(OC)c(OC)c1 ZINC000593708100 1115801570 /nfs/dbraw/zinc/80/15/70/1115801570.db2.gz HNKZREACCFXVHH-BBRMVZONSA-N 1 0 374.437 4.423 20 5 FIBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cc(OC)c(OC)c(OC)c1 ZINC000593726102 1115806050 /nfs/dbraw/zinc/80/60/50/1115806050.db2.gz MDCRFRZESJGBOG-INIZCTEOSA-N 1 0 374.437 4.170 20 5 FIBDRO CC[NH+](CC)CCOc1ccccc1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000603856999 1115821922 /nfs/dbraw/zinc/82/19/22/1115821922.db2.gz KSMLRDRUZBINKO-UHFFFAOYSA-N 1 0 357.454 4.236 20 5 FIBDRO CC[NH+](CC)CCOc1ccc(CNc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000603859131 1115822336 /nfs/dbraw/zinc/82/23/36/1115822336.db2.gz CCXQARYIPJVIHI-UHFFFAOYSA-N 1 0 361.417 4.067 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1cccc2ccccc21 ZINC000603892012 1115826885 /nfs/dbraw/zinc/82/68/85/1115826885.db2.gz VKGINBZGTSPODV-UHFFFAOYSA-N 1 0 363.417 4.127 20 5 FIBDRO Cc1c(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000604028300 1115843648 /nfs/dbraw/zinc/84/36/48/1115843648.db2.gz RWWWFSGCVVKDNI-UHFFFAOYSA-N 1 0 367.449 4.184 20 5 FIBDRO CCCCN(C(=O)c1ccccc1[N+](=O)[O-])C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000604440843 1115865619 /nfs/dbraw/zinc/86/56/19/1115865619.db2.gz DRWOCZZMBPMPIT-UHFFFAOYSA-N 1 0 361.486 4.146 20 5 FIBDRO Cc1ccc(CCC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000604478600 1115866441 /nfs/dbraw/zinc/86/64/41/1115866441.db2.gz AMHVIFKLPNXYJI-KRWDZBQOSA-N 1 0 369.465 4.151 20 5 FIBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521752 1115867420 /nfs/dbraw/zinc/86/74/20/1115867420.db2.gz XMOVFQAGRCKMHI-NQIIRXRSSA-N 1 0 370.449 4.073 20 5 FIBDRO O=[N+]([O-])c1ccccc1COc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000063457400 1116070129 /nfs/dbraw/zinc/07/01/29/1116070129.db2.gz XSRSSHVBDXCJHX-UHFFFAOYSA-N 1 0 356.422 4.039 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC4(CCCCC4)CC3)n2)c1 ZINC000608833419 1116130769 /nfs/dbraw/zinc/13/07/69/1116130769.db2.gz XETWYSXCCTXYOB-UHFFFAOYSA-N 1 0 356.426 4.191 20 5 FIBDRO Cc1csc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000608836467 1116131137 /nfs/dbraw/zinc/13/11/37/1116131137.db2.gz ZTHWPQBVZPHQJZ-UHFFFAOYSA-N 1 0 359.476 4.421 20 5 FIBDRO C[C@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000456287244 1116174122 /nfs/dbraw/zinc/17/41/22/1116174122.db2.gz VYPGHSWQDSNPLA-HXPMCKFVSA-N 1 0 371.412 4.025 20 5 FIBDRO C[C@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000089669540 1116238991 /nfs/dbraw/zinc/23/89/91/1116238991.db2.gz MPQMCJOEIBRIAD-AWEZNQCLSA-N 1 0 368.462 4.397 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H]3c3ccccn3)cs2)c1 ZINC000535067275 1116266538 /nfs/dbraw/zinc/26/65/38/1116266538.db2.gz FPQWXROQAGLMIX-SFHVURJKSA-N 1 0 366.446 4.450 20 5 FIBDRO CCOc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1OC ZINC000535072225 1116267464 /nfs/dbraw/zinc/26/74/64/1116267464.db2.gz MFQIVQZRDDTHHT-UHFFFAOYSA-N 1 0 356.422 4.167 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000609075662 1116305068 /nfs/dbraw/zinc/30/50/68/1116305068.db2.gz QFHTWBLXNHEEQE-UHFFFAOYSA-N 1 0 352.434 4.475 20 5 FIBDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000152768686 1116323652 /nfs/dbraw/zinc/32/36/52/1116323652.db2.gz CLXPOJIVPTXCOE-VBKZILBWSA-N 1 0 356.422 4.414 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000443220247 1116382388 /nfs/dbraw/zinc/38/23/88/1116382388.db2.gz VJEKDMBAPILAGB-UONOGXRCSA-N 1 0 367.405 4.409 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H](C)c1ccc(OC)cc1 ZINC000462754295 1117747080 /nfs/dbraw/zinc/74/70/80/1117747080.db2.gz OMFXLWWLVKSMNR-HNNXBMFYSA-N 1 0 358.438 4.286 20 5 FIBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C12CCC2 ZINC000462762630 1117753241 /nfs/dbraw/zinc/75/32/41/1117753241.db2.gz KQLQNSRIVJQNEB-OALUTQOASA-N 1 0 356.422 4.292 20 5 FIBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000462786795 1117770936 /nfs/dbraw/zinc/77/09/36/1117770936.db2.gz BYEPRGVSFGYGNQ-CYBMUJFWSA-N 1 0 357.401 4.120 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(C4CCCC4)cc3)nc2c1 ZINC000462910846 1117855832 /nfs/dbraw/zinc/85/58/32/1117855832.db2.gz IFNPBJNVIGFXOC-UHFFFAOYSA-N 1 0 350.422 4.419 20 5 FIBDRO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540151634 1117906275 /nfs/dbraw/zinc/90/62/75/1117906275.db2.gz SVKHGJCUPFPBPF-MEBBXXQBSA-N 1 0 374.384 4.287 20 5 FIBDRO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 ZINC000540153815 1117907480 /nfs/dbraw/zinc/90/74/80/1117907480.db2.gz JWWMPDDZFZMCCU-DOTOQJQBSA-N 1 0 364.449 4.371 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CCc2nc(-c3ccncc3)cs2)cc1[N+](=O)[O-] ZINC000540170730 1117913058 /nfs/dbraw/zinc/91/30/58/1117913058.db2.gz NOOBDMBFDYYSDJ-AWEZNQCLSA-N 1 0 368.462 4.315 20 5 FIBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000540186961 1117927783 /nfs/dbraw/zinc/92/77/83/1117927783.db2.gz PNGNJWWSJZVSLT-HNNXBMFYSA-N 1 0 355.438 4.227 20 5 FIBDRO CC[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000463036224 1117928764 /nfs/dbraw/zinc/92/87/64/1117928764.db2.gz JNHFUIKRORIERT-INIZCTEOSA-N 1 0 360.385 4.137 20 5 FIBDRO Cc1cnc(NCc2cccc(C[NH+]3CCCCCC3)c2)c([N+](=O)[O-])c1 ZINC000463056719 1117951260 /nfs/dbraw/zinc/95/12/60/1117951260.db2.gz SFCZMCYBCLBEBN-UHFFFAOYSA-N 1 0 354.454 4.286 20 5 FIBDRO C[C@H](c1ccccc1)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000463237731 1118045378 /nfs/dbraw/zinc/04/53/78/1118045378.db2.gz XJRTZTJLCHNEMF-QGZVFWFLSA-N 1 0 350.422 4.055 20 5 FIBDRO CCC[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000540476993 1118078536 /nfs/dbraw/zinc/07/85/36/1118078536.db2.gz GUGPUYXIJUXFQF-QFBILLFUSA-N 1 0 369.465 4.211 20 5 FIBDRO COc1cccc2cc([C@H](C)[NH2+]CCOc3ccc([N+](=O)[O-])cc3)oc21 ZINC000540606020 1118146793 /nfs/dbraw/zinc/14/67/93/1118146793.db2.gz BCBVCHSPTKLWKK-ZDUSSCGKSA-N 1 0 356.378 4.079 20 5 FIBDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000540617298 1118153447 /nfs/dbraw/zinc/15/34/47/1118153447.db2.gz KYPYBLLXVBOACX-WMZOPIPTSA-N 1 0 371.481 4.249 20 5 FIBDRO C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000090044643 1118221702 /nfs/dbraw/zinc/22/17/02/1118221702.db2.gz BXORPSCXFOHNBJ-CYBMUJFWSA-N 1 0 354.435 4.007 20 5 FIBDRO CC[C@H](Nc1ccccc1N1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000540744959 1118230501 /nfs/dbraw/zinc/23/05/01/1118230501.db2.gz ABIMOYPOTAQKSF-IBGZPJMESA-N 1 0 368.481 4.300 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000541246553 1118445849 /nfs/dbraw/zinc/44/58/49/1118445849.db2.gz QAIAGTXRIIXDQW-UHFFFAOYSA-N 1 0 355.438 4.077 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541701963 1118616666 /nfs/dbraw/zinc/61/66/66/1118616666.db2.gz ZTWZRZBPLQGYGD-YLJYHZDGSA-N 1 0 374.412 4.095 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464761508 1118684299 /nfs/dbraw/zinc/68/42/99/1118684299.db2.gz FEXLDYGEPTZLLS-HNNXBMFYSA-N 1 0 358.463 4.218 20 5 FIBDRO Cc1ccc(CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]2CCCO2)cc1 ZINC000464782162 1118692129 /nfs/dbraw/zinc/69/21/29/1118692129.db2.gz YFDZUJFZQGASHI-NRFANRHFSA-N 1 0 354.450 4.127 20 5 FIBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464836321 1118710359 /nfs/dbraw/zinc/71/03/59/1118710359.db2.gz KFFMYBPLEOMWIX-KRWDZBQOSA-N 1 0 373.884 4.202 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000464857594 1118726127 /nfs/dbraw/zinc/72/61/27/1118726127.db2.gz KRAXZGGXAPBMOK-KBXCAEBGSA-N 1 0 371.437 4.298 20 5 FIBDRO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000609144644 1118772245 /nfs/dbraw/zinc/77/22/45/1118772245.db2.gz TZUAOUWLAFZFKU-UZLBHIALSA-N 1 0 358.413 4.334 20 5 FIBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000465273275 1118909365 /nfs/dbraw/zinc/90/93/65/1118909365.db2.gz QEMHYCSHSNPNOV-QGZVFWFLSA-N 1 0 361.489 4.096 20 5 FIBDRO COc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1OC(F)F ZINC000492000691 1119002004 /nfs/dbraw/zinc/00/20/04/1119002004.db2.gz OSINBUOWPWKMCG-UHFFFAOYSA-N 1 0 366.364 4.230 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]C2(Cc3ccccc3Br)CC2)cs1 ZINC000492256742 1119055674 /nfs/dbraw/zinc/05/56/74/1119055674.db2.gz IHGOCMFMHYKGMN-UHFFFAOYSA-N 1 0 367.268 4.284 20 5 FIBDRO CC(C)([NH2+]Cc1cc(Br)cs1)c1ccccc1[N+](=O)[O-] ZINC000492255135 1119059069 /nfs/dbraw/zinc/05/90/69/1119059069.db2.gz DCRNGMBDPSFJPT-UHFFFAOYSA-N 1 0 355.257 4.444 20 5 FIBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492538828 1119126659 /nfs/dbraw/zinc/12/66/59/1119126659.db2.gz QRBNLEDQKRTHNP-GOSISDBHSA-N 1 0 355.438 4.070 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2ccnc2)cc1[N+](=O)[O-] ZINC000153168065 1119130202 /nfs/dbraw/zinc/13/02/02/1119130202.db2.gz KPZZTTAYQQMKDY-OAHLLOKOSA-N 1 0 366.421 4.030 20 5 FIBDRO CCOc1cc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492748965 1119178188 /nfs/dbraw/zinc/17/81/88/1119178188.db2.gz NGAZDXZJSPMIFD-MJGOQNOKSA-N 1 0 370.449 4.251 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000492756833 1119185036 /nfs/dbraw/zinc/18/50/36/1119185036.db2.gz MDCGOJOLVJWDEH-NSHDSACASA-N 1 0 370.327 4.353 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000492781537 1119187425 /nfs/dbraw/zinc/18/74/25/1119187425.db2.gz DBBGNRQGOQQYQT-KZULUSFZSA-N 1 0 364.829 4.123 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC2(CCO)CCCC2)c2ccccc2)c1 ZINC000493064369 1119274713 /nfs/dbraw/zinc/27/47/13/1119274713.db2.gz ZNEOVWIOVXGFTP-FQEVSTJZSA-N 1 0 354.450 4.217 20 5 FIBDRO C[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000761524531 1119411931 /nfs/dbraw/zinc/41/19/31/1119411931.db2.gz FKDVVUXMIIPQJG-QAPCUYQASA-N 1 0 373.884 4.391 20 5 FIBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000493252436 1119435594 /nfs/dbraw/zinc/43/55/94/1119435594.db2.gz HRIVIYJUWFILMV-MRXNPFEDSA-N 1 0 360.841 4.287 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCC[C@@H]3Cc3ccccc3)nc2c1 ZINC000493521892 1119473048 /nfs/dbraw/zinc/47/30/48/1119473048.db2.gz HAXAWCQEGTYCET-WBVHZDCISA-N 1 0 351.406 4.237 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@H]2CCOC3(CCC3)C2)c2ccccc2)c1 ZINC000494012612 1119524993 /nfs/dbraw/zinc/52/49/93/1119524993.db2.gz QVVBUPUWADBNCL-ICSRJNTNSA-N 1 0 352.434 4.376 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CCCc2c[nH]nc2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542480753 1119828558 /nfs/dbraw/zinc/82/85/58/1119828558.db2.gz PSMMZAQAAKFVDL-FQEVSTJZSA-N 1 0 368.437 4.094 20 5 FIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000494956282 1120394440 /nfs/dbraw/zinc/39/44/40/1120394440.db2.gz UCGDFBYMFMCUAM-KXBFYZLASA-N 1 0 358.413 4.034 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)cc1[N+](=O)[O-] ZINC001203451404 1120563626 /nfs/dbraw/zinc/56/36/26/1120563626.db2.gz BJPZDHLDBDNXHG-BPQIPLTHSA-N 1 0 373.250 4.094 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@H](c3ccccc3)C1)CCC2 ZINC000193292244 1120671001 /nfs/dbraw/zinc/67/10/01/1120671001.db2.gz UUMGJAQFAFLVSW-UIFIKXQLSA-N 1 0 352.434 4.482 20 5 FIBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000542555639 1120789806 /nfs/dbraw/zinc/78/98/06/1120789806.db2.gz HVRAGYQLRSZSEE-CYBMUJFWSA-N 1 0 367.858 4.379 20 5 FIBDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000495428577 1120803991 /nfs/dbraw/zinc/80/39/91/1120803991.db2.gz YDRXTWYOUVRXKD-DYXWJJEUSA-N 1 0 360.498 4.489 20 5 FIBDRO C[C@H]1C[C@@H]1C[NH+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc([N+](=O)[O-])c1 ZINC000915634966 1121012155 /nfs/dbraw/zinc/01/21/55/1121012155.db2.gz QAVCOHOOLYNRLD-WMLDXEAASA-N 1 0 355.394 4.161 20 5 FIBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(Cl)c1 ZINC000487998881 1121013676 /nfs/dbraw/zinc/01/36/76/1121013676.db2.gz YMBRBGMSNGPGIZ-INIZCTEOSA-N 1 0 359.857 4.225 20 5 FIBDRO CCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000090585812 1121015303 /nfs/dbraw/zinc/01/53/03/1121015303.db2.gz HDBIYJWYJMLIRX-SJORKVTESA-N 1 0 363.502 4.012 20 5 FIBDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)cc1[N+](=O)[O-] ZINC000915683104 1121020207 /nfs/dbraw/zinc/02/02/07/1121020207.db2.gz OUJJSGFNKSVWIX-UHFFFAOYSA-N 1 0 362.433 4.356 20 5 FIBDRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000153714296 1121044455 /nfs/dbraw/zinc/04/44/55/1121044455.db2.gz UCEAIXXDPGMHHV-AWEZNQCLSA-N 1 0 368.412 4.387 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000090656822 1121099079 /nfs/dbraw/zinc/09/90/79/1121099079.db2.gz XYKDYLMCYXMZDE-APWZRJJASA-N 1 0 356.466 4.356 20 5 FIBDRO CC(=O)c1ccc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000301430586 1121154883 /nfs/dbraw/zinc/15/48/83/1121154883.db2.gz QIBGGKIAOYWZQY-DNVCBOLYSA-N 1 0 373.478 4.354 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000326406444 1121160586 /nfs/dbraw/zinc/16/05/86/1121160586.db2.gz IXTSMUQFNVYLAJ-KBAYOESNSA-N 1 0 352.862 4.154 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(OC3CCCC3)c2)cc1[N+](=O)[O-] ZINC000153349545 1121183328 /nfs/dbraw/zinc/18/33/28/1121183328.db2.gz NCPYQIGSIYSFAF-OAHLLOKOSA-N 1 0 355.438 4.470 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccnc(OC3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000153352611 1121220736 /nfs/dbraw/zinc/22/07/36/1121220736.db2.gz YANWNJVZKLDXGU-OAHLLOKOSA-N 1 0 355.438 4.470 20 5 FIBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000194340305 1121268375 /nfs/dbraw/zinc/26/83/75/1121268375.db2.gz PCSYAJVNOQQOLM-UHFFFAOYSA-N 1 0 361.489 4.381 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000326406442 1121313202 /nfs/dbraw/zinc/31/32/02/1121313202.db2.gz IXTSMUQFNVYLAJ-CGTJXYLNSA-N 1 0 352.862 4.154 20 5 FIBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)CC1 ZINC000301130909 1121446424 /nfs/dbraw/zinc/44/64/24/1121446424.db2.gz YFUBNXRXFKZTDK-KRWDZBQOSA-N 1 0 368.481 4.091 20 5 FIBDRO Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000130653273 1121563943 /nfs/dbraw/zinc/56/39/43/1121563943.db2.gz GBUMIEQOIKCNRX-QGZVFWFLSA-N 1 0 358.442 4.059 20 5 FIBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000074315442 1121951453 /nfs/dbraw/zinc/95/14/53/1121951453.db2.gz BNTXLKBRNPICAB-SFHVURJKSA-N 1 0 373.500 4.192 20 5 FIBDRO CC(=O)c1ccc(Nc2cccc(C[NH+]3CCSCC3)c2)c([N+](=O)[O-])c1 ZINC000301202424 1122170614 /nfs/dbraw/zinc/17/06/14/1122170614.db2.gz QBEHFJXCHIVJPL-UHFFFAOYSA-N 1 0 371.462 4.090 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000542702822 1122304152 /nfs/dbraw/zinc/30/41/52/1122304152.db2.gz VPIIUZDUTCVTJA-UHFFFAOYSA-N 1 0 362.813 4.008 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000556119093 1122670178 /nfs/dbraw/zinc/67/01/78/1122670178.db2.gz ORJUNGUSBAPFCH-NBHGPNQESA-N 1 0 353.466 4.389 20 5 FIBDRO COc1cc(C[NH2+]C2CC(C(C)(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000556934679 1123247582 /nfs/dbraw/zinc/24/75/82/1123247582.db2.gz RALDHWGHZPEGPU-UHFFFAOYSA-N 1 0 372.412 4.162 20 5 FIBDRO COc1ccccc1COC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000556981216 1123288671 /nfs/dbraw/zinc/28/86/71/1123288671.db2.gz UVNKWMHYGHROET-INIZCTEOSA-N 1 0 370.449 4.346 20 5 FIBDRO CC(C)c1ccc(C[NH2+]CC(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000920179767 1123396765 /nfs/dbraw/zinc/39/67/65/1123396765.db2.gz CPGBMZNXXJWVSR-UHFFFAOYSA-N 1 0 361.829 4.100 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)c1 ZINC000609475159 1123723273 /nfs/dbraw/zinc/72/32/73/1123723273.db2.gz BEFVHBZOLCEJMJ-UHFFFAOYSA-N 1 0 364.405 4.298 20 5 FIBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000609560514 1123749721 /nfs/dbraw/zinc/74/97/21/1123749721.db2.gz WQEKINSRRZPWTG-UHFFFAOYSA-N 1 0 368.481 4.235 20 5 FIBDRO Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1Oc1cccnc1 ZINC000609571462 1123752941 /nfs/dbraw/zinc/75/29/41/1123752941.db2.gz GFUYHEGOKHVHNJ-UHFFFAOYSA-N 1 0 363.417 4.423 20 5 FIBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609600773 1123765126 /nfs/dbraw/zinc/76/51/26/1123765126.db2.gz QWUUFEJQRNSMOY-GJZGRUSLSA-N 1 0 374.510 4.071 20 5 FIBDRO CC[C@H]1CCC[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000609766767 1123825143 /nfs/dbraw/zinc/82/51/43/1123825143.db2.gz PABJCWCFZKRJNZ-LBPRGKRZSA-N 1 0 358.385 4.217 20 5 FIBDRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609919753 1123887841 /nfs/dbraw/zinc/88/78/41/1123887841.db2.gz JOFZZUIYKFVZKB-UHFFFAOYSA-N 1 0 359.813 4.096 20 5 FIBDRO Cc1ccc(C[NH2+]C2(c3cccc(Br)c3)CC2)cc1[N+](=O)[O-] ZINC000237760296 1124044895 /nfs/dbraw/zinc/04/48/95/1124044895.db2.gz HPIOTWNHFDJETI-UHFFFAOYSA-N 1 0 361.239 4.445 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000615724157 1124108896 /nfs/dbraw/zinc/10/88/96/1124108896.db2.gz NJLIGQFKINUDKL-ZGUWOUCSSA-N 1 0 373.403 4.145 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C)nc1N1CCCC1 ZINC000615727454 1124109124 /nfs/dbraw/zinc/10/91/24/1124109124.db2.gz XGMRCNWUEQUZOO-FOWTUZBSSA-N 1 0 366.465 4.092 20 5 FIBDRO CC(=O)Nc1cccc2c1CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C2 ZINC000615836112 1124128176 /nfs/dbraw/zinc/12/81/76/1124128176.db2.gz VOARVWIMSPMRLS-RVDMUPIBSA-N 1 0 365.433 4.015 20 5 FIBDRO CCOC(=O)CCC1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000615835177 1124128686 /nfs/dbraw/zinc/12/86/86/1124128686.db2.gz XLOANQVLQJJAKJ-DTQAZKPQSA-N 1 0 360.454 4.053 20 5 FIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)cccc1[N+](=O)[O-] ZINC000153656533 1124184319 /nfs/dbraw/zinc/18/43/19/1124184319.db2.gz DDEQFUMNXKERMO-AWEZNQCLSA-N 1 0 354.385 4.079 20 5 FIBDRO CC(C)[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000615966656 1124188254 /nfs/dbraw/zinc/18/82/54/1124188254.db2.gz GTZVEGFWYHVPFG-WDSOQIARSA-N 1 0 370.497 4.069 20 5 FIBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1Cl ZINC000765848987 1124193488 /nfs/dbraw/zinc/19/34/88/1124193488.db2.gz MYLIAONWNOHGHY-QFYYESIMSA-N 1 0 355.221 4.286 20 5 FIBDRO CC(C)Oc1ccc([C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000554088016 1124278720 /nfs/dbraw/zinc/27/87/20/1124278720.db2.gz IKKULDWQTAKUPU-IERDGZPVSA-N 1 0 371.481 4.336 20 5 FIBDRO CC[C@@H](C)Oc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000616483549 1124320172 /nfs/dbraw/zinc/32/01/72/1124320172.db2.gz HRBLHHLOWDSGOH-CQSZACIVSA-N 1 0 358.438 4.379 20 5 FIBDRO CC(C)[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](C)c1ccccc1 ZINC000428840038 1124511830 /nfs/dbraw/zinc/51/18/30/1124511830.db2.gz LNIMUJOCPKQSJP-HNNXBMFYSA-N 1 0 356.422 4.433 20 5 FIBDRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123246498 1124554448 /nfs/dbraw/zinc/55/44/48/1124554448.db2.gz VFROUEPAHOCSAR-ZDUSSCGKSA-N 1 0 368.462 4.315 20 5 FIBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC001168676187 1124749627 /nfs/dbraw/zinc/74/96/27/1124749627.db2.gz JEAGJDUZPLTLRR-SJKOYZFVSA-N 1 0 361.829 4.316 20 5 FIBDRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181812168 1125141710 /nfs/dbraw/zinc/14/17/10/1125141710.db2.gz JLFFLIBDLYWKLF-HNNXBMFYSA-N 1 0 369.465 4.317 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000301750039 1125188118 /nfs/dbraw/zinc/18/81/18/1125188118.db2.gz ALAZXKDLNQEAJQ-LRDDRELGSA-N 1 0 369.387 4.067 20 5 FIBDRO COc1ccccc1OCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618568603 1125207767 /nfs/dbraw/zinc/20/77/67/1125207767.db2.gz JVSQETZBAJTLPK-GOSISDBHSA-N 1 0 356.422 4.040 20 5 FIBDRO CC(C)(C)Oc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000618574037 1125212788 /nfs/dbraw/zinc/21/27/88/1125212788.db2.gz SDMHNELCUKTSMG-ROUUACIJSA-N 1 0 372.469 4.242 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c(N2CCCC2)n1 ZINC000618574094 1125213127 /nfs/dbraw/zinc/21/31/27/1125213127.db2.gz QZZJKQULAXAVNG-HXUWFJFHSA-N 1 0 366.465 4.066 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000301776033 1125264903 /nfs/dbraw/zinc/26/49/03/1125264903.db2.gz LHHOMUROKYFGNW-IUODEOHRSA-N 1 0 369.387 4.067 20 5 FIBDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618985171 1125411311 /nfs/dbraw/zinc/41/13/11/1125411311.db2.gz JNIVTMKBHIVRLT-OALUTQOASA-N 1 0 368.433 4.439 20 5 FIBDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618985170 1125411591 /nfs/dbraw/zinc/41/15/91/1125411591.db2.gz JNIVTMKBHIVRLT-MOPGFXCFSA-N 1 0 368.433 4.439 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1)C(C)C ZINC000078148532 1125414979 /nfs/dbraw/zinc/41/49/79/1125414979.db2.gz OSVOKYJFBRUKNL-UHFFFAOYSA-N 1 0 367.449 4.028 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000096967812 209165289 /nfs/dbraw/zinc/16/52/89/209165289.db2.gz NIBMDRZBFHATFC-MRXNPFEDSA-N 1 0 367.449 4.142 20 5 FIBDRO COc1ccc(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000481548719 568049955 /nfs/dbraw/zinc/04/99/55/568049955.db2.gz ZOTSWTVCVJSCGP-KZULUSFZSA-N 1 0 364.829 4.123 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000070860937 568198330 /nfs/dbraw/zinc/19/83/30/568198330.db2.gz UGDGSGMRWCLQNF-NSHDSACASA-N 1 0 352.337 4.056 20 5 FIBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(C(F)(F)F)cc1 ZINC000302926249 568243963 /nfs/dbraw/zinc/24/39/63/568243963.db2.gz CYWWVYQUVUTLNE-UHFFFAOYSA-N 1 0 354.328 4.124 20 5 FIBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1[C@@H]1CCCO1 ZINC000568921623 568252467 /nfs/dbraw/zinc/25/24/67/568252467.db2.gz JMKOSSWRGHTSCU-RBUKOAKNSA-N 1 0 356.422 4.244 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)n1 ZINC000482075829 568254387 /nfs/dbraw/zinc/25/43/87/568254387.db2.gz KTTXRKVLWCUUJE-QGWWYQLQSA-N 1 0 372.444 4.340 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000568998106 568265536 /nfs/dbraw/zinc/26/55/36/568265536.db2.gz YGMYVAPFVGRGBP-LRDDRELGSA-N 1 0 358.360 4.005 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2)nn1C ZINC000453074726 568391432 /nfs/dbraw/zinc/39/14/32/568391432.db2.gz TXNIVIRIKIRWEB-HUUCEWRRSA-N 1 0 350.422 4.407 20 5 FIBDRO COc1ccc(COCCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000482250425 568528523 /nfs/dbraw/zinc/52/85/23/568528523.db2.gz ZQAQZEGIMFHODO-MRXNPFEDSA-N 1 0 358.438 4.169 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000182668998 1125595080 /nfs/dbraw/zinc/59/50/80/1125595080.db2.gz WEARSYBDFVFQOF-HNNXBMFYSA-N 1 0 362.813 4.260 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000619722718 1125668539 /nfs/dbraw/zinc/66/85/39/1125668539.db2.gz UZGNKHJUQRPEIQ-HZPDHXFCSA-N 1 0 354.454 4.068 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000619722883 1125669697 /nfs/dbraw/zinc/66/96/97/1125669697.db2.gz PYWJBCZYFFEFIG-DOTOQJQBSA-N 1 0 354.454 4.068 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)C1CC1 ZINC000579697394 1079551152 /nfs/dbraw/zinc/55/11/52/1079551152.db2.gz SIULHOFNORITKK-RZUBCFFCSA-N 1 0 366.461 4.426 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCOc3ccccc3F)o2)c1 ZINC000608835521 1079739711 /nfs/dbraw/zinc/73/97/11/1079739711.db2.gz QRXRWRAWRPGBCW-UHFFFAOYSA-N 1 0 356.353 4.163 20 5 FIBDRO CC[C@H]1CC[N@@H+]1Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000430207324 1079944874 /nfs/dbraw/zinc/94/48/74/1079944874.db2.gz QOBFPZNPQVGPRI-KRWDZBQOSA-N 1 0 356.422 4.167 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000430218663 1080001608 /nfs/dbraw/zinc/00/16/08/1080001608.db2.gz NHUPBDOFQRUSHP-KZULUSFZSA-N 1 0 364.829 4.123 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000430230399 1080036096 /nfs/dbraw/zinc/03/60/96/1080036096.db2.gz YMUXOZUWYHHIOA-NSHDSACASA-N 1 0 354.328 4.473 20 5 FIBDRO Cn1cc(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000430269286 1080266949 /nfs/dbraw/zinc/26/69/49/1080266949.db2.gz NHUZNIGVOADHPC-UHFFFAOYSA-N 1 0 370.840 4.184 20 5 FIBDRO Cc1cccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000157753541 1080481066 /nfs/dbraw/zinc/48/10/66/1080481066.db2.gz GYJWHDSAFDXXOK-QGZVFWFLSA-N 1 0 373.497 4.020 20 5 FIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccccc1Cl ZINC000237496689 1080963647 /nfs/dbraw/zinc/96/36/47/1080963647.db2.gz FYGZNXAXERHTDP-OLZOCXBDSA-N 1 0 361.829 4.316 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000610271096 1080996076 /nfs/dbraw/zinc/99/60/76/1080996076.db2.gz ZIBXJTYKFOAQPF-VQIMIIECSA-N 1 0 369.465 4.003 20 5 FIBDRO COc1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000610278633 1081155510 /nfs/dbraw/zinc/15/55/10/1081155510.db2.gz XJIMYYBWIYFKLA-HNNXBMFYSA-N 1 0 355.438 4.241 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](CSc4ccccc4)C3)nc2c1 ZINC000177161294 1081199013 /nfs/dbraw/zinc/19/90/13/1081199013.db2.gz HXMHHJKYTBVAJD-AWEZNQCLSA-N 1 0 369.446 4.350 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000609195457 1081378166 /nfs/dbraw/zinc/37/81/66/1081378166.db2.gz YLOIDUDRSQRXAU-OAHLLOKOSA-N 1 0 358.385 4.215 20 5 FIBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000536021101 1081415705 /nfs/dbraw/zinc/41/57/05/1081415705.db2.gz AMXDDXQHPOGXQI-MRXNPFEDSA-N 1 0 351.328 4.212 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000610341780 1081496660 /nfs/dbraw/zinc/49/66/60/1081496660.db2.gz XTZCUZKMTIXLKS-GUYCJALGSA-N 1 0 373.840 4.094 20 5 FIBDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)c2ccccc21 ZINC000580035396 1081499455 /nfs/dbraw/zinc/49/94/55/1081499455.db2.gz GZYIHKRVUHFLMK-OALUTQOASA-N 1 0 368.433 4.175 20 5 FIBDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420476 1081840341 /nfs/dbraw/zinc/84/03/41/1081840341.db2.gz UWDSPVCZYSOAPJ-KBPBESRZSA-N 1 0 361.392 4.050 20 5 FIBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1n1ccnc1 ZINC000247262700 1081931243 /nfs/dbraw/zinc/93/12/43/1081931243.db2.gz XRZSJRUOAFZTHR-DNVCBOLYSA-N 1 0 366.421 4.134 20 5 FIBDRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000471611667 1082091468 /nfs/dbraw/zinc/09/14/68/1082091468.db2.gz CPQOZELPBNXWBB-MGPUTAFESA-N 1 0 358.438 4.420 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2ccc(F)cc2F)o1 ZINC000580826525 1082175398 /nfs/dbraw/zinc/17/53/98/1082175398.db2.gz KHKICCXQXQPLOB-UHFFFAOYSA-N 1 0 358.344 4.465 20 5 FIBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000610476343 1082300233 /nfs/dbraw/zinc/30/02/33/1082300233.db2.gz OKXFMBDBWPSEGS-YLJYHZDGSA-N 1 0 358.413 4.334 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000156842139 1082343867 /nfs/dbraw/zinc/34/38/67/1082343867.db2.gz CPUIZVIYVRGZNG-HZPDHXFCSA-N 1 0 367.449 4.442 20 5 FIBDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000561527481 1082775818 /nfs/dbraw/zinc/77/58/18/1082775818.db2.gz AQLQBEGQCDHEKC-UHFFFAOYSA-N 1 0 360.410 4.066 20 5 FIBDRO COc1cc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000090910035 1082867476 /nfs/dbraw/zinc/86/74/76/1082867476.db2.gz GRNCMYPFAAYCNO-GFCCVEGCSA-N 1 0 366.364 4.098 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000477438490 1082870687 /nfs/dbraw/zinc/87/06/87/1082870687.db2.gz UVIKJHONVCIOKO-UHFFFAOYSA-N 1 0 366.339 4.271 20 5 FIBDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000051283948 1082985112 /nfs/dbraw/zinc/98/51/12/1082985112.db2.gz UUOVZXBBUZQXHE-SFHVURJKSA-N 1 0 356.422 4.258 20 5 FIBDRO COc1ccccc1N1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000178230070 1082992873 /nfs/dbraw/zinc/99/28/73/1082992873.db2.gz XLHHGRSCSUOOPG-INIZCTEOSA-N 1 0 369.465 4.231 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)s1 ZINC000510539747 1083149254 /nfs/dbraw/zinc/14/92/54/1083149254.db2.gz RFXSCFKZBLVHTF-CQSZACIVSA-N 1 0 368.462 4.426 20 5 FIBDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582147 1083213350 /nfs/dbraw/zinc/21/33/50/1083213350.db2.gz AJKATRUEAUKZAE-LBPRGKRZSA-N 1 0 359.813 4.452 20 5 FIBDRO CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000535721648 1083609308 /nfs/dbraw/zinc/60/93/08/1083609308.db2.gz RQMNLZUKFFTYJO-CYBMUJFWSA-N 1 0 361.829 4.097 20 5 FIBDRO CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000167148257 1083631280 /nfs/dbraw/zinc/63/12/80/1083631280.db2.gz XERVEWDWCIDQFH-QGZVFWFLSA-N 1 0 372.465 4.478 20 5 FIBDRO COc1ccc(-c2ccc(C[NH+]3CCC(OC(C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC000535796576 1083671733 /nfs/dbraw/zinc/67/17/33/1083671733.db2.gz RAOQZOHKOPLRLW-UHFFFAOYSA-N 1 0 374.437 4.253 20 5 FIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2)c1cccc([N+](=O)[O-])c1 ZINC000610799730 1083704294 /nfs/dbraw/zinc/70/42/94/1083704294.db2.gz LJVFTUYUSDQQIF-FZKQIMNGSA-N 1 0 353.422 4.281 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000610808015 1083717408 /nfs/dbraw/zinc/71/74/08/1083717408.db2.gz PRJKUWMPGDURGZ-IAGOWNOFSA-N 1 0 357.479 4.147 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)cccc1[N+](=O)[O-] ZINC000610812609 1083726379 /nfs/dbraw/zinc/72/63/79/1083726379.db2.gz DBGYQAAZVRUSDH-UKRRQHHQSA-N 1 0 361.392 4.111 20 5 FIBDRO CCC[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000188524507 1083755502 /nfs/dbraw/zinc/75/55/02/1083755502.db2.gz BDFQQHINCKFBLD-QGZVFWFLSA-N 1 0 373.419 4.300 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC([C@@H]3CCOC3)CC2)o1 ZINC000612402258 1083777129 /nfs/dbraw/zinc/77/71/29/1083777129.db2.gz ZLLLVRHYRNLKGK-MRXNPFEDSA-N 1 0 356.422 4.103 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000411470048 1083781244 /nfs/dbraw/zinc/78/12/44/1083781244.db2.gz BJWUUBSPUKSVIZ-ZDUSSCGKSA-N 1 0 361.829 4.236 20 5 FIBDRO C[C@@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000411487164 1083781337 /nfs/dbraw/zinc/78/13/37/1083781337.db2.gz INUCNPBHWDIJFI-QGZVFWFLSA-N 1 0 353.466 4.432 20 5 FIBDRO C[C@@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000411504003 1083784621 /nfs/dbraw/zinc/78/46/21/1083784621.db2.gz LEXOAIFDJGJGPS-MRXNPFEDSA-N 1 0 367.449 4.072 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCOC4(CCCC4)C3)o2)c1 ZINC000136702611 1083892842 /nfs/dbraw/zinc/89/28/42/1083892842.db2.gz AAKNFVBBGMXZJS-INIZCTEOSA-N 1 0 356.422 4.436 20 5 FIBDRO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000612540007 1083901992 /nfs/dbraw/zinc/90/19/92/1083901992.db2.gz QGBCHCRTJYXEBB-KXBFYZLASA-N 1 0 362.376 4.225 20 5 FIBDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000612579534 1083924953 /nfs/dbraw/zinc/92/49/53/1083924953.db2.gz ACHSRVCHZWZNCW-UHFFFAOYSA-N 1 0 364.449 4.120 20 5 FIBDRO C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000380523403 1084044982 /nfs/dbraw/zinc/04/49/82/1084044982.db2.gz CMAKKJQSTIGNCL-BVPXEZJJSA-N 1 0 365.477 4.156 20 5 FIBDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000389317577 1084116900 /nfs/dbraw/zinc/11/69/00/1084116900.db2.gz NRPPZWYQJNVPPS-CYBMUJFWSA-N 1 0 363.255 4.121 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nn(C)c2ccccc12 ZINC000612829216 1084121047 /nfs/dbraw/zinc/12/10/47/1084121047.db2.gz BBQCRRUOIRFOKF-AWEZNQCLSA-N 1 0 370.478 4.142 20 5 FIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000612954727 1084227715 /nfs/dbraw/zinc/22/77/15/1084227715.db2.gz OLEPOMISZNOFBO-YPRXJGMQSA-N 1 0 374.466 4.171 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178504307 1084261556 /nfs/dbraw/zinc/26/15/56/1084261556.db2.gz YHGSBGCIUGBMOO-HXUWFJFHSA-N 1 0 350.422 4.081 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000580099825 1084361917 /nfs/dbraw/zinc/36/19/17/1084361917.db2.gz YYRSNJAZDCYCQK-KBPBESRZSA-N 1 0 354.385 4.331 20 5 FIBDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc(OC)c1OC ZINC000157440974 1084383276 /nfs/dbraw/zinc/38/32/76/1084383276.db2.gz XWKSCGZOAIRBEM-KBPBESRZSA-N 1 0 374.437 4.341 20 5 FIBDRO Cc1c(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000071958738 1084413329 /nfs/dbraw/zinc/41/33/29/1084413329.db2.gz YCIDUGZPELOFFU-IBGZPJMESA-N 1 0 358.413 4.224 20 5 FIBDRO CC(=O)c1cc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000582139706 1084665748 /nfs/dbraw/zinc/66/57/48/1084665748.db2.gz XQEYNWIXBFGFAM-INIZCTEOSA-N 1 0 373.497 4.278 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3c4ccccc4C[C@@H]3O)s2)cc1 ZINC000085334331 1084795768 /nfs/dbraw/zinc/79/57/68/1084795768.db2.gz DASOAKDYFZRWCR-ICSRJNTNSA-N 1 0 366.442 4.071 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3c4ccccc4C[C@H]3O)s2)cc1 ZINC000085334329 1084796174 /nfs/dbraw/zinc/79/61/74/1084796174.db2.gz DASOAKDYFZRWCR-UYAOXDASSA-N 1 0 366.442 4.071 20 5 FIBDRO C[NH+](C)Cc1ccc(-c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 ZINC000531109607 1084853481 /nfs/dbraw/zinc/85/34/81/1084853481.db2.gz YMFDASADJFUNGM-UHFFFAOYSA-N 1 0 358.785 4.027 20 5 FIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(N2CCCC2)n1 ZINC000611590959 1084914194 /nfs/dbraw/zinc/91/41/94/1084914194.db2.gz FLWVZYUCYVBNMT-MRXNPFEDSA-N 1 0 354.454 4.058 20 5 FIBDRO Cc1ccn(-c2ccccc2C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000127586714 1084957841 /nfs/dbraw/zinc/95/78/41/1084957841.db2.gz VSNPGMLXZLVGMU-INIZCTEOSA-N 1 0 350.422 4.248 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+][C@H]1CCC[C@@H]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000414291196 1084976685 /nfs/dbraw/zinc/97/66/85/1084976685.db2.gz AUVCRLRMSNTXAV-OKZBNKHCSA-N 1 0 356.470 4.222 20 5 FIBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc2ccccc2c2cccnc12 ZINC000582422522 1084985347 /nfs/dbraw/zinc/98/53/47/1084985347.db2.gz OBTCJVJWNXROSB-MRXNPFEDSA-N 1 0 361.489 4.190 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000414298991 1084993756 /nfs/dbraw/zinc/99/37/56/1084993756.db2.gz JCFRTUCBDHHQRS-RCCFBDPRSA-N 1 0 356.470 4.222 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](OC(F)F)C3)o2)cc1 ZINC000611609614 1085032331 /nfs/dbraw/zinc/03/23/31/1085032331.db2.gz TUGCNQHVQILKHA-CQSZACIVSA-N 1 0 352.337 4.058 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000050015610 1085044184 /nfs/dbraw/zinc/04/41/84/1085044184.db2.gz XFKOYACQONZYGK-SNVBAGLBSA-N 1 0 353.191 4.347 20 5 FIBDRO Cc1c(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)cccc1[N+](=O)[O-] ZINC000158373582 1085055922 /nfs/dbraw/zinc/05/59/22/1085055922.db2.gz VUVFIBXKEAKUHX-UHFFFAOYSA-N 1 0 353.422 4.127 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000479539316 1085204371 /nfs/dbraw/zinc/20/43/71/1085204371.db2.gz RKXBFNGBFSWJDM-DDBAPUKQSA-N 1 0 374.872 4.464 20 5 FIBDRO COc1cc(CN(C)Cc2sccc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000053781593 1085285566 /nfs/dbraw/zinc/28/55/66/1085285566.db2.gz VQPIALOPJDRPLE-UHFFFAOYSA-N 1 0 372.393 4.207 20 5 FIBDRO Cc1cc(N2CC[C@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549523606 1085327658 /nfs/dbraw/zinc/32/76/58/1085327658.db2.gz BIEYNNQGPYUEIO-CQSZACIVSA-N 1 0 371.403 4.090 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(NC(=O)NC(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000128053089 1085344579 /nfs/dbraw/zinc/34/45/79/1085344579.db2.gz JUTCSBGFBBRIDJ-LJQANCHMSA-N 1 0 370.453 4.366 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1nccn1-c1ccccc1 ZINC000582669112 1085350511 /nfs/dbraw/zinc/35/05/11/1085350511.db2.gz AIAMZGUSCDNJFQ-OAHLLOKOSA-N 1 0 366.421 4.030 20 5 FIBDRO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 ZINC000178640076 1085420809 /nfs/dbraw/zinc/42/08/09/1085420809.db2.gz JBPIFUZIKALMBS-KGLIPLIRSA-N 1 0 356.422 4.168 20 5 FIBDRO CC(C)c1ccc(C[NH2+]CCc2nc3cc(F)ccc3n2C)cc1[N+](=O)[O-] ZINC000236717311 1085478049 /nfs/dbraw/zinc/47/80/49/1085478049.db2.gz XWDVEGNWIUSOAY-UHFFFAOYSA-N 1 0 370.428 4.076 20 5 FIBDRO COc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000178643849 1085559730 /nfs/dbraw/zinc/55/97/30/1085559730.db2.gz NIWRPIHKAFIQJF-LLVKDONJSA-N 1 0 352.337 4.056 20 5 FIBDRO Cc1ccccc1CN1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000178646500 1085564288 /nfs/dbraw/zinc/56/42/88/1085564288.db2.gz OPMMWCLIOKUKBN-QGZVFWFLSA-N 1 0 353.466 4.218 20 5 FIBDRO C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178651783 1085584983 /nfs/dbraw/zinc/58/49/83/1085584983.db2.gz FWVYRNZLRBPSEC-CVEARBPZSA-N 1 0 359.495 4.219 20 5 FIBDRO CC[N@H+](CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 ZINC000236879092 1085596312 /nfs/dbraw/zinc/59/63/12/1085596312.db2.gz JESZAMXTUHLUBM-UHFFFAOYSA-N 1 0 363.845 4.082 20 5 FIBDRO C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000178654694 1085678876 /nfs/dbraw/zinc/67/88/76/1085678876.db2.gz UDSYPXGVSYUTEA-GFCCVEGCSA-N 1 0 372.812 4.192 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1coc(-c2cccs2)n1)C1CC1 ZINC000178658468 1085684067 /nfs/dbraw/zinc/68/40/67/1085684067.db2.gz YNUHAUBHFBLTQR-MRXNPFEDSA-N 1 0 369.446 4.422 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H](Cc4ccncc4)C3)o2)c1 ZINC000611983901 1085722355 /nfs/dbraw/zinc/72/23/55/1085722355.db2.gz VZOXQMBAVSDCEB-KRWDZBQOSA-N 1 0 363.417 4.314 20 5 FIBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000161461509 1085951485 /nfs/dbraw/zinc/95/14/85/1085951485.db2.gz YSAVTCHRDOMYKX-QLJPJBMISA-N 1 0 355.221 4.286 20 5 FIBDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c(C)c1OC ZINC000582974536 1085980574 /nfs/dbraw/zinc/98/05/74/1085980574.db2.gz FAWNLKOVSYIPCI-SUMWQHHRSA-N 1 0 356.422 4.259 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)ccc1Oc1ccc(F)cc1 ZINC000093820519 1086204122 /nfs/dbraw/zinc/20/41/22/1086204122.db2.gz QTLZHXKVZIGFKZ-HXUWFJFHSA-N 1 0 372.396 4.139 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCc1nccs1 ZINC000583279744 1086515872 /nfs/dbraw/zinc/51/58/72/1086515872.db2.gz OCKZJFWHEOVZOU-CYBMUJFWSA-N 1 0 351.497 4.144 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc([S@@](C)=O)cc1 ZINC000278886657 1086530239 /nfs/dbraw/zinc/53/02/39/1086530239.db2.gz YIDCCTBIZUFNDL-HPOCOGEFSA-N 1 0 358.463 4.060 20 5 FIBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C1(CC)CC ZINC001167818778 1086569558 /nfs/dbraw/zinc/56/95/58/1086569558.db2.gz JHBNJOFDMILDBS-QZTJIDSGSA-N 1 0 350.459 4.019 20 5 FIBDRO CC[N@H+](C)Cc1cccc(CNc2ccnc3c2cccc3[N+](=O)[O-])c1 ZINC000432338815 1086628952 /nfs/dbraw/zinc/62/89/52/1086628952.db2.gz XEBSZJRJRIKSCH-UHFFFAOYSA-N 1 0 350.422 4.207 20 5 FIBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000432360613 1086659493 /nfs/dbraw/zinc/65/94/93/1086659493.db2.gz AVHBUYDZQKOJPV-CXAGYDPISA-N 1 0 360.385 4.041 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCc3ccc4c[nH]nc4c3)o2)c1 ZINC000585743484 1086678921 /nfs/dbraw/zinc/67/89/21/1086678921.db2.gz ZWJGBUZLEVITRX-UHFFFAOYSA-N 1 0 362.389 4.063 20 5 FIBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)o2)c([N+](=O)[O-])c1 ZINC000585767817 1086695627 /nfs/dbraw/zinc/69/56/27/1086695627.db2.gz DZPKAGTWVINIFZ-PXNSSMCTSA-N 1 0 372.421 4.007 20 5 FIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000584020252 1087110841 /nfs/dbraw/zinc/11/08/41/1087110841.db2.gz SUQDTZSHSOGTFF-CQSZACIVSA-N 1 0 363.377 4.029 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000708585550 1087629355 /nfs/dbraw/zinc/62/93/55/1087629355.db2.gz HBSRQXWKLVEXOT-CRAIPNDOSA-N 1 0 373.884 4.106 20 5 FIBDRO Cc1cccc(C)c1NC(=O)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180402559 1087885964 /nfs/dbraw/zinc/88/59/64/1087885964.db2.gz ATDIXLRIJSRSPF-MRXNPFEDSA-N 1 0 355.438 4.281 20 5 FIBDRO C[C@@H](NCc1csc(Cc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000180404319 1087897906 /nfs/dbraw/zinc/89/79/06/1087897906.db2.gz WBADYTNFESINJQ-CQSZACIVSA-N 1 0 353.447 4.493 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180562503 1087969359 /nfs/dbraw/zinc/96/93/59/1087969359.db2.gz XKDLLMIOKXKWBX-HOTGVXAUSA-N 1 0 372.318 4.051 20 5 FIBDRO COC(=O)CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000180667755 1088010975 /nfs/dbraw/zinc/01/09/75/1088010975.db2.gz YWXDTONZXYHJNL-QAPCUYQASA-N 1 0 356.422 4.248 20 5 FIBDRO CC[C@@H]([NH2+][C@H](CCC(=O)OC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180675020 1088017139 /nfs/dbraw/zinc/01/71/39/1088017139.db2.gz CJOJQZAHROEAEF-RTBURBONSA-N 1 0 356.422 4.330 20 5 FIBDRO COCCC1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000180772219 1088073746 /nfs/dbraw/zinc/07/37/46/1088073746.db2.gz SMSUCYNYKRFGPB-HXUWFJFHSA-N 1 0 354.450 4.481 20 5 FIBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000181308712 1088300549 /nfs/dbraw/zinc/30/05/49/1088300549.db2.gz BNOYTCKJXHAEFF-MNOVXSKESA-N 1 0 370.375 4.382 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1F ZINC000181364638 1088369632 /nfs/dbraw/zinc/36/96/32/1088369632.db2.gz FOQOASKGNSPKHQ-CQSZACIVSA-N 1 0 359.401 4.030 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCOc3c(C)cccc32)cc1[N+](=O)[O-] ZINC000189372717 1088479148 /nfs/dbraw/zinc/47/91/48/1088479148.db2.gz WEPYUGVMICKGEA-WMLDXEAASA-N 1 0 356.422 4.476 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(c3ccncn3)CC2)o1 ZINC000414472210 1088672546 /nfs/dbraw/zinc/67/25/46/1088672546.db2.gz RAZGQJWRTLZWNJ-UHFFFAOYSA-N 1 0 364.405 4.024 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000434623077 1088843789 /nfs/dbraw/zinc/84/37/89/1088843789.db2.gz JMNZWKWZLNCIEB-HXUWFJFHSA-N 1 0 373.428 4.310 20 5 FIBDRO C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000311853302 1088881855 /nfs/dbraw/zinc/88/18/55/1088881855.db2.gz WHHCHDLKXLQKPI-UWJYYQICSA-N 1 0 353.466 4.158 20 5 FIBDRO CC(C)[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1(CO)CCC1 ZINC000430091649 1088981759 /nfs/dbraw/zinc/98/17/59/1088981759.db2.gz UGJPJKKPDNMIFL-LJQANCHMSA-N 1 0 358.438 4.132 20 5 FIBDRO Cc1ccc([C@@]2(C)CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cc1 ZINC000434752024 1089023015 /nfs/dbraw/zinc/02/30/15/1089023015.db2.gz KMKZNRHIFMDGDM-FQEVSTJZSA-N 1 0 351.406 4.208 20 5 FIBDRO COc1ccc(C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C2CC2)cc1 ZINC000505552901 1089081001 /nfs/dbraw/zinc/08/10/01/1089081001.db2.gz GBGWNBLJVNYIDV-OAHLLOKOSA-N 1 0 370.449 4.413 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1c1ccccc1 ZINC000435027207 1089223234 /nfs/dbraw/zinc/22/32/34/1089223234.db2.gz LKKMAZCULYHXPA-RHSMWYFYSA-N 1 0 351.406 4.362 20 5 FIBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000515105994 1089785185 /nfs/dbraw/zinc/78/51/85/1089785185.db2.gz CLRPWLPXGSPJKJ-LJQANCHMSA-N 1 0 370.453 4.108 20 5 FIBDRO COc1ccc(O[C@H](C)C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000468634724 1089945977 /nfs/dbraw/zinc/94/59/77/1089945977.db2.gz HJSRVPCCHKTMCM-UVQBRAAOSA-N 1 0 356.422 4.064 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000468636963 1089960461 /nfs/dbraw/zinc/96/04/61/1089960461.db2.gz GGPJJXWUTXBURZ-BAILOTOSSA-N 1 0 371.506 4.486 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cnn(C)c1 ZINC000163824270 1089962434 /nfs/dbraw/zinc/96/24/34/1089962434.db2.gz VEOKCGWFJSLVJB-STQMWFEESA-N 1 0 356.451 4.469 20 5 FIBDRO C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Br)nc1 ZINC000290632933 1090144432 /nfs/dbraw/zinc/14/44/32/1090144432.db2.gz JBZOLODWMWZPMV-QWRGUYRKSA-N 1 0 350.216 4.164 20 5 FIBDRO CSc1cccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000188032773 1090146034 /nfs/dbraw/zinc/14/60/34/1090146034.db2.gz RHNUZDUWTYNEKC-UHFFFAOYSA-N 1 0 371.462 4.165 20 5 FIBDRO [NH3+]CCc1ccn(-c2ccc3ccc4ccc(Br)cc4c3c2)n1 ZINC001167731953 1090237698 /nfs/dbraw/zinc/23/76/98/1090237698.db2.gz FSEOCEKMJGINMG-UHFFFAOYSA-N 1 0 366.262 4.442 20 5 FIBDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000104701028 1090309879 /nfs/dbraw/zinc/30/98/79/1090309879.db2.gz RULFIVAEBHFLIW-KUHUBIRLSA-N 1 0 353.422 4.053 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)c2c(c1)COCO2 ZINC000104705896 1090310245 /nfs/dbraw/zinc/31/02/45/1090310245.db2.gz OEJUJVMBPDEIQR-LJQANCHMSA-N 1 0 372.396 4.231 20 5 FIBDRO COCCOc1cccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417330901 1090821676 /nfs/dbraw/zinc/82/16/76/1090821676.db2.gz VROFXMDRJQIMMG-OAQYLSRUSA-N 1 0 370.449 4.177 20 5 FIBDRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417334458 1090823725 /nfs/dbraw/zinc/82/37/25/1090823725.db2.gz ZQQPGBUIJTWZCJ-HXUWFJFHSA-N 1 0 353.422 4.111 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(OC3CCC3)CC2)o1 ZINC000418098926 1091061600 /nfs/dbraw/zinc/06/16/00/1091061600.db2.gz ZHOHIFIOGAZDLX-UHFFFAOYSA-N 1 0 356.422 4.388 20 5 FIBDRO CCC[NH+]1CCC(CNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000500241545 1091138549 /nfs/dbraw/zinc/13/85/49/1091138549.db2.gz SBVIQIKMCZJGFF-UHFFFAOYSA-N 1 0 361.489 4.240 20 5 FIBDRO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000123544947 1091182470 /nfs/dbraw/zinc/18/24/70/1091182470.db2.gz UQIZKEJVKGJFAR-ZIAGYGMSSA-N 1 0 362.401 4.023 20 5 FIBDRO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000053644348 1091282680 /nfs/dbraw/zinc/28/26/80/1091282680.db2.gz BYUATSSANRKADT-GOSISDBHSA-N 1 0 359.401 4.049 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCCC(F)(F)C2)c1 ZINC000500398140 1091428814 /nfs/dbraw/zinc/42/88/14/1091428814.db2.gz CLDQAFLAUNLJLR-JTQLQIEISA-N 1 0 350.312 4.111 20 5 FIBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000511685484 1091539525 /nfs/dbraw/zinc/53/95/25/1091539525.db2.gz TYNJSWPZSOKSHA-INIZCTEOSA-N 1 0 365.355 4.300 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@]3(CC=CCC3)C2)cccc1[N+](=O)[O-] ZINC000512213599 1091918507 /nfs/dbraw/zinc/91/85/07/1091918507.db2.gz ODHCDCKRBCFTSI-OXJNMPFZSA-N 1 0 357.454 4.053 20 5 FIBDRO Cc1c(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cccc1[N+](=O)[O-] ZINC000512247450 1091961902 /nfs/dbraw/zinc/96/19/02/1091961902.db2.gz ZHOASNGMQIRRCC-QFIPXVFZSA-N 1 0 365.477 4.001 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000500462641 1092104521 /nfs/dbraw/zinc/10/45/21/1092104521.db2.gz QXZGHLIWMRNCMU-LJQANCHMSA-N 1 0 360.841 4.048 20 5 FIBDRO COc1ccc([C@H]2C[C@H]([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])C2)cc1F ZINC000500569895 1092237344 /nfs/dbraw/zinc/23/73/44/1092237344.db2.gz KTCJDVJPXWJUTA-ZEKQPSDZSA-N 1 0 356.397 4.292 20 5 FIBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000520828747 1092287177 /nfs/dbraw/zinc/28/71/77/1092287177.db2.gz WFTCLBFXRMJQRN-KRWDZBQOSA-N 1 0 360.845 4.201 20 5 FIBDRO CN(C)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1Cl ZINC000500756835 1092514045 /nfs/dbraw/zinc/51/40/45/1092514045.db2.gz DYJFPBRJXHYRTP-UHFFFAOYSA-N 1 0 368.220 4.216 20 5 FIBDRO C[NH+](C)CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000521182631 1092561720 /nfs/dbraw/zinc/56/17/20/1092561720.db2.gz RXIOHGQXRADVOK-UHFFFAOYSA-N 1 0 369.465 4.101 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)C1CC1 ZINC000443196498 1092985073 /nfs/dbraw/zinc/98/50/73/1092985073.db2.gz VHRYZBPLUFQEQR-ZWKOTPCHSA-N 1 0 356.397 4.168 20 5 FIBDRO C[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[N@@H+]1CCCC[C@H]1C ZINC000522196444 1093200747 /nfs/dbraw/zinc/20/07/47/1093200747.db2.gz ZUDNFUTVYPFUEH-CABCVRRESA-N 1 0 374.510 4.071 20 5 FIBDRO C[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[N@@H+]1CCCC[C@H]1C ZINC000522196446 1093201023 /nfs/dbraw/zinc/20/10/23/1093201023.db2.gz ZUDNFUTVYPFUEH-HUUCEWRRSA-N 1 0 374.510 4.071 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4ccccc4)C3)n2)cc1 ZINC000433079031 1093205492 /nfs/dbraw/zinc/20/54/92/1093205492.db2.gz XQQQKWFMNSSQST-QGZVFWFLSA-N 1 0 364.405 4.024 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]CC2(CO)CC(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000433099266 1093242819 /nfs/dbraw/zinc/24/28/19/1093242819.db2.gz HZCYJNCODCKOPM-SRWJYRBRSA-N 1 0 354.450 4.110 20 5 FIBDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)on1 ZINC000509780192 1093282118 /nfs/dbraw/zinc/28/21/18/1093282118.db2.gz CJODGXVSAADYET-KRWDZBQOSA-N 1 0 353.378 4.488 20 5 FIBDRO Cc1cnc(C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000433139197 1093321725 /nfs/dbraw/zinc/32/17/25/1093321725.db2.gz WHLUSCDZWHBIMX-UHFFFAOYSA-N 1 0 361.467 4.008 20 5 FIBDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1OC(F)F ZINC000151647147 1093331842 /nfs/dbraw/zinc/33/18/42/1093331842.db2.gz XGTMANGZQCEXEQ-LBPRGKRZSA-N 1 0 366.364 4.446 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000433183869 1093386883 /nfs/dbraw/zinc/38/68/83/1093386883.db2.gz VSYSTGUBWRGWDQ-OPUMOTSWSA-N 1 0 351.450 4.114 20 5 FIBDRO COc1ccc(C[NH2+]CC(C)(C)c2ccc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000500902685 1093396503 /nfs/dbraw/zinc/39/65/03/1093396503.db2.gz WVYICMJXPVLAFZ-UHFFFAOYSA-N 1 0 366.820 4.463 20 5 FIBDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000512886376 1093508828 /nfs/dbraw/zinc/50/88/28/1093508828.db2.gz XXDVIBHPEBKJHH-OLZOCXBDSA-N 1 0 364.829 4.270 20 5 FIBDRO COC[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000433287309 1093544543 /nfs/dbraw/zinc/54/45/43/1093544543.db2.gz PAEBJTDFBVNGEL-MOPGFXCFSA-N 1 0 358.413 4.434 20 5 FIBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2cccn2)c2cc([N+](=O)[O-])ccc21 ZINC000433296067 1093562832 /nfs/dbraw/zinc/56/28/32/1093562832.db2.gz RCNGUPQTOITOJI-CEXWTWQISA-N 1 0 354.454 4.287 20 5 FIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000185369047 1093728899 /nfs/dbraw/zinc/72/88/99/1093728899.db2.gz JLMBVLHXJJBRKL-QGZVFWFLSA-N 1 0 369.465 4.172 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000397988080 1093805435 /nfs/dbraw/zinc/80/54/35/1093805435.db2.gz PEEVHPFSIHJGLR-DNVCBOLYSA-N 1 0 373.884 4.248 20 5 FIBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000513111296 1093852499 /nfs/dbraw/zinc/85/24/99/1093852499.db2.gz BTCVARWDQHNVID-AWEZNQCLSA-N 1 0 363.845 4.034 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000513247155 1094034295 /nfs/dbraw/zinc/03/42/95/1094034295.db2.gz KLJNWGKVBREEKH-YWZLYKJASA-N 1 0 367.449 4.315 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000513267017 1094040855 /nfs/dbraw/zinc/04/08/55/1094040855.db2.gz NJFIHXJWOODKLH-YWZLYKJASA-N 1 0 367.449 4.315 20 5 FIBDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000513272320 1094043001 /nfs/dbraw/zinc/04/30/01/1094043001.db2.gz QNAGCWYQFRODRF-BEFAXECRSA-N 1 0 353.422 4.007 20 5 FIBDRO COc1ccccc1O[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000513406685 1094105578 /nfs/dbraw/zinc/10/55/78/1094105578.db2.gz WERYKRTZLKSINB-HZPDHXFCSA-N 1 0 356.422 4.208 20 5 FIBDRO C[C@H](N[C@@H](C)c1ccc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000280187061 1094300144 /nfs/dbraw/zinc/30/01/44/1094300144.db2.gz SAOOCJATJXHQGI-QWRGUYRKSA-N 1 0 350.216 4.164 20 5 FIBDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000183140613 1094332672 /nfs/dbraw/zinc/33/26/72/1094332672.db2.gz JKWUBQRYMYNZCB-CYBMUJFWSA-N 1 0 354.385 4.079 20 5 FIBDRO COc1ccc([C@@H](Cc2ccncc2)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000513697587 1094354898 /nfs/dbraw/zinc/35/48/98/1094354898.db2.gz PIEKINSQLYJCIL-HXUWFJFHSA-N 1 0 363.417 4.072 20 5 FIBDRO COc1ccc(C[NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000474628445 1094467232 /nfs/dbraw/zinc/46/72/32/1094467232.db2.gz SSRDCQQABWIEHG-LMWSTFAQSA-N 1 0 360.376 4.450 20 5 FIBDRO CCC[C@H](CCO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237026606 1094512802 /nfs/dbraw/zinc/51/28/02/1094512802.db2.gz RNZFKOPFFLVDDW-CYBMUJFWSA-N 1 0 366.845 4.397 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C2CCC(C(F)F)CC2)c1 ZINC000419791072 1094617193 /nfs/dbraw/zinc/61/71/93/1094617193.db2.gz VSXDEVCIKNLYTE-UHFFFAOYSA-N 1 0 350.312 4.110 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3CCC(F)(F)C3)o2)c([N+](=O)[O-])c1 ZINC000430040186 1094804406 /nfs/dbraw/zinc/80/44/06/1094804406.db2.gz HKCOOZIWLLWCPL-LBPRGKRZSA-N 1 0 366.364 4.388 20 5 FIBDRO C[NH+](C)CCCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237101510 1094983978 /nfs/dbraw/zinc/98/39/78/1094983978.db2.gz IFEOGAIYFJTJPJ-UHFFFAOYSA-N 1 0 363.845 4.082 20 5 FIBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000544370682 1095014226 /nfs/dbraw/zinc/01/42/26/1095014226.db2.gz KELOATWCIFAWGY-DIFFPNOSSA-N 1 0 352.793 4.253 20 5 FIBDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000183551997 1095519655 /nfs/dbraw/zinc/51/96/55/1095519655.db2.gz XQBJQDDUXYJNCK-CQSZACIVSA-N 1 0 367.405 4.247 20 5 FIBDRO O=[N+]([O-])c1cc(CN2CC[C@@]23CCOC3)ccc1Oc1ccccc1Cl ZINC000421393063 1095593864 /nfs/dbraw/zinc/59/38/64/1095593864.db2.gz DBCLEMPHZDXTCP-IBGZPJMESA-N 1 0 374.824 4.405 20 5 FIBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000183619750 1095764346 /nfs/dbraw/zinc/76/43/46/1095764346.db2.gz WKVJLXYWCSAUEQ-AWEZNQCLSA-N 1 0 367.405 4.329 20 5 FIBDRO COc1cc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)ccn1 ZINC000237265197 1095922163 /nfs/dbraw/zinc/92/21/63/1095922163.db2.gz MZBQUDASUYPLSD-UHFFFAOYSA-N 1 0 355.419 4.017 20 5 FIBDRO CCc1ccc([C@H]([NH2+][C@@H]2CCO[C@@H](CC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000421850637 1095955149 /nfs/dbraw/zinc/95/51/49/1095955149.db2.gz DSLNOWCJRHEGPL-MOXGXCLJSA-N 1 0 358.438 4.387 20 5 FIBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1(C)C ZINC000237274410 1095977268 /nfs/dbraw/zinc/97/72/68/1095977268.db2.gz SGBOPYQSEBIKEZ-CRAIPNDOSA-N 1 0 361.467 4.012 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000183818737 1096218140 /nfs/dbraw/zinc/21/81/40/1096218140.db2.gz BETGHZXMVSUHQH-UHFFFAOYSA-N 1 0 374.238 4.437 20 5 FIBDRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423354734 1096654292 /nfs/dbraw/zinc/65/42/92/1096654292.db2.gz NZGRPWQXQCKQTN-VQTJNVASSA-N 1 0 351.450 4.165 20 5 FIBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000436304361 1098917197 /nfs/dbraw/zinc/91/71/97/1098917197.db2.gz DNUASKMIHBVKIS-HBFSDRIKSA-N 1 0 368.433 4.006 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000533366665 1098981699 /nfs/dbraw/zinc/98/16/99/1098981699.db2.gz BRKZDOQSXUBUHK-SFHVURJKSA-N 1 0 355.438 4.068 20 5 FIBDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000533438755 1099042171 /nfs/dbraw/zinc/04/21/71/1099042171.db2.gz OYDKAOHLGOBCOR-IRXDYDNUSA-N 1 0 367.449 4.028 20 5 FIBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc4ccccc4c4cccnc34)C2)CC1 ZINC000533698533 1099335588 /nfs/dbraw/zinc/33/55/88/1099335588.db2.gz CJYAMNJALPVRPR-IBGZPJMESA-N 1 0 373.500 4.192 20 5 FIBDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000237453365 1099549048 /nfs/dbraw/zinc/54/90/48/1099549048.db2.gz MMXAEUWQRRNSBC-QWHCGFSZSA-N 1 0 364.829 4.147 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1nc2cccc(Cl)c2n1C ZINC000547831739 1099594829 /nfs/dbraw/zinc/59/48/29/1099594829.db2.gz FKYYIEBCVVPUAT-GFCCVEGCSA-N 1 0 358.829 4.294 20 5 FIBDRO COc1ccc(C[C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000516610745 1099654338 /nfs/dbraw/zinc/65/43/38/1099654338.db2.gz SVUAKFQJGDPERG-IBGZPJMESA-N 1 0 354.450 4.101 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000516618520 1099658786 /nfs/dbraw/zinc/65/87/86/1099658786.db2.gz RWOGKJNJLRATSK-ZDUSSCGKSA-N 1 0 361.829 4.248 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCCOCCc1ccccc1 ZINC000516663303 1099687257 /nfs/dbraw/zinc/68/72/57/1099687257.db2.gz KQLCBOUCJQQBLJ-FQEVSTJZSA-N 1 0 354.450 4.211 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@H](C)CCO)cc2[N+](=O)[O-])cc1 ZINC000237471848 1099694618 /nfs/dbraw/zinc/69/46/18/1099694618.db2.gz DXTSGDGYLNPGAC-OAHLLOKOSA-N 1 0 360.479 4.163 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1)C(C)C ZINC000508763129 1100016428 /nfs/dbraw/zinc/01/64/28/1100016428.db2.gz MGNHMLCYIDCVJB-UHFFFAOYSA-N 1 0 355.438 4.386 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)s1 ZINC000536692328 1100189300 /nfs/dbraw/zinc/18/93/00/1100189300.db2.gz DMESMSODKKHNIO-LSDHHAIUSA-N 1 0 358.463 4.182 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCSCC(F)(F)F)o2)c1 ZINC000536702839 1100208668 /nfs/dbraw/zinc/20/86/68/1100208668.db2.gz MJNCVYMPTNBVQR-UHFFFAOYSA-N 1 0 360.357 4.240 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOc1ncccc1C(F)(F)F ZINC000536840202 1100352028 /nfs/dbraw/zinc/35/20/28/1100352028.db2.gz NWYABYRCUCYRLG-LBPRGKRZSA-N 1 0 369.343 4.047 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)cccc1[N+](=O)[O-] ZINC000536856345 1100370861 /nfs/dbraw/zinc/37/08/61/1100370861.db2.gz FNMAUQVBVYRCKM-CZUORRHYSA-N 1 0 373.840 4.013 20 5 FIBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1nc2ccccc2s1 ZINC000536858141 1100374321 /nfs/dbraw/zinc/37/43/21/1100374321.db2.gz NRTYDBLXXWNYJV-ZIAGYGMSSA-N 1 0 371.462 4.365 20 5 FIBDRO Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000459642982 1100380705 /nfs/dbraw/zinc/38/07/05/1100380705.db2.gz CICGFMXFIIBIBZ-MRXNPFEDSA-N 1 0 372.387 4.084 20 5 FIBDRO Cc1c(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000459652490 1100394602 /nfs/dbraw/zinc/39/46/02/1100394602.db2.gz BXVUMPKFLVVZRQ-MRXNPFEDSA-N 1 0 372.387 4.084 20 5 FIBDRO Cc1ccc(C[NH2+]CCOc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000517534972 1100473706 /nfs/dbraw/zinc/47/37/06/1100473706.db2.gz PHIPVAHAPMUVIR-UHFFFAOYSA-N 1 0 355.221 4.379 20 5 FIBDRO CCCCN(C(=O)c1ccc([N+](=O)[O-])s1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000517678942 1100603131 /nfs/dbraw/zinc/60/31/31/1100603131.db2.gz SPKUSGSSIMDOBW-UHFFFAOYSA-N 1 0 367.515 4.208 20 5 FIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(-c4ccc(F)cc4)o3)CC2)n1 ZINC000425988439 1100620512 /nfs/dbraw/zinc/62/05/12/1100620512.db2.gz GENNYXYRKZYLIW-UHFFFAOYSA-N 1 0 370.384 4.028 20 5 FIBDRO CC[C@@H](CSC)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000518011819 1100862462 /nfs/dbraw/zinc/86/24/62/1100862462.db2.gz VMCXFCSZGUKSQG-AWEZNQCLSA-N 1 0 351.497 4.292 20 5 FIBDRO C[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)[N@@H+]1CCC[C@@H](C)C1 ZINC000518031467 1100874586 /nfs/dbraw/zinc/87/45/86/1100874586.db2.gz VJAGHZJMENWWTM-IAGOWNOFSA-N 1 0 361.489 4.238 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000438719045 1100882828 /nfs/dbraw/zinc/88/28/28/1100882828.db2.gz CASCVJDJVKOPIP-LJQANCHMSA-N 1 0 355.438 4.219 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCN(C4CCCC4)C3)s2)cc1 ZINC000518288134 1101068384 /nfs/dbraw/zinc/06/83/84/1101068384.db2.gz GSQXKFNEDBCQGY-MRXNPFEDSA-N 1 0 371.506 4.430 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000426320681 1101249766 /nfs/dbraw/zinc/24/97/66/1101249766.db2.gz YLZHZWDSFLZSRR-GOEBONIOSA-N 1 0 373.428 4.062 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1[N+](=O)[O-] ZINC000536908043 1101332524 /nfs/dbraw/zinc/33/25/24/1101332524.db2.gz CVFRGOSNSNHMCO-UONOGXRCSA-N 1 0 353.422 4.200 20 5 FIBDRO Cc1ccccc1[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[C@@H](C)C1 ZINC000537058073 1101414487 /nfs/dbraw/zinc/41/44/87/1101414487.db2.gz HTTVXVYLFWMDOG-IDHHARJASA-N 1 0 356.470 4.294 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cc2cccc(F)c2o1 ZINC000475711763 1101423503 /nfs/dbraw/zinc/42/35/03/1101423503.db2.gz DCHBCQPQYPABHM-NEPJUHHUSA-N 1 0 371.368 4.158 20 5 FIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)C(C)(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000537052680 1101428667 /nfs/dbraw/zinc/42/86/67/1101428667.db2.gz OQQTZPOBKVSGRH-CVEARBPZSA-N 1 0 369.465 4.186 20 5 FIBDRO O=C(C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000537104660 1101451551 /nfs/dbraw/zinc/45/15/51/1101451551.db2.gz MQMAYHDEIRWVQQ-IBGZPJMESA-N 1 0 373.840 4.318 20 5 FIBDRO Cc1cc(C)cc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000537117576 1101461936 /nfs/dbraw/zinc/46/19/36/1101461936.db2.gz PVYADGQLPDEXFQ-ZDUSSCGKSA-N 1 0 361.829 4.154 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCC[NH+]2CCCCC2)s1 ZINC000518769670 1101527640 /nfs/dbraw/zinc/52/76/40/1101527640.db2.gz OVLMBQOCAKIORP-UHFFFAOYSA-N 1 0 359.495 4.289 20 5 FIBDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537317375 1101650291 /nfs/dbraw/zinc/65/02/91/1101650291.db2.gz IHDNDRSUKVWION-OLZOCXBDSA-N 1 0 366.845 4.395 20 5 FIBDRO CCN1CCC([N@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000506661703 1101715307 /nfs/dbraw/zinc/71/53/07/1101715307.db2.gz OYFHUWGFFSQFAQ-UHFFFAOYSA-N 1 0 359.495 4.239 20 5 FIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CC[C@H](O)CC1 ZINC000439787011 1101784281 /nfs/dbraw/zinc/78/42/81/1101784281.db2.gz KDHDSTYSTPMQKF-MQMHXKEQSA-N 1 0 364.829 4.244 20 5 FIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000537451850 1101801614 /nfs/dbraw/zinc/80/16/14/1101801614.db2.gz ZQMIGDBKIVWFBQ-ZDUSSCGKSA-N 1 0 373.840 4.244 20 5 FIBDRO CC[C@@](C)(CCO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000532394976 1101891400 /nfs/dbraw/zinc/89/14/00/1101891400.db2.gz CLRBUSDDEQNATA-IBGZPJMESA-N 1 0 362.401 4.167 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCOC4(CCCCC4)C3)CC2)cc1 ZINC000127563758 1101995296 /nfs/dbraw/zinc/99/52/96/1101995296.db2.gz IAPRNBRRPAWCMT-GOSISDBHSA-N 1 0 373.497 4.035 20 5 FIBDRO CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC001142514329 1102112222 /nfs/dbraw/zinc/11/22/22/1102112222.db2.gz LLCUAPSHIKGMET-CVEARBPZSA-N 1 0 370.453 4.067 20 5 FIBDRO Cc1ccc(C[NH2+]CC2(c3ccccc3Cl)CCOCC2)cc1[N+](=O)[O-] ZINC000237765045 1102140960 /nfs/dbraw/zinc/14/09/60/1102140960.db2.gz UORMIUFQYHLLNE-UHFFFAOYSA-N 1 0 374.868 4.395 20 5 FIBDRO Cc1ccn(-c2ccccc2C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000127649053 1102158998 /nfs/dbraw/zinc/15/89/98/1102158998.db2.gz LUUNGQCMADFPHF-MRXNPFEDSA-N 1 0 350.422 4.248 20 5 FIBDRO C[N@H+](CCCCc1ccccc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000052037732 1102238700 /nfs/dbraw/zinc/23/87/00/1102238700.db2.gz YAMBDQPWCPMICA-UHFFFAOYSA-N 1 0 366.421 4.100 20 5 FIBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000473614578 1102253515 /nfs/dbraw/zinc/25/35/15/1102253515.db2.gz ALEAWJZSRXPZRH-SOLBZPMBSA-N 1 0 373.497 4.196 20 5 FIBDRO CCC[C@H]([NH2+]CCc1cccc(OC)c1OC)c1cccc([N+](=O)[O-])c1 ZINC000532476524 1102421890 /nfs/dbraw/zinc/42/18/90/1102421890.db2.gz MEPWFCAYBATLRA-SFHVURJKSA-N 1 0 358.438 4.286 20 5 FIBDRO CCC[N@H+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000532513483 1102447659 /nfs/dbraw/zinc/44/76/59/1102447659.db2.gz KNWPOMXPWARCMS-KRWDZBQOSA-N 1 0 361.829 4.270 20 5 FIBDRO COCc1cccc(OCC2(C[N@H+](C)Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000537640817 1102578109 /nfs/dbraw/zinc/57/81/09/1102578109.db2.gz YJSYDDAFFRPRDL-UHFFFAOYSA-N 1 0 370.449 4.032 20 5 FIBDRO Cc1c([C@H](C)[NH2+]CCc2cc(C(F)(F)F)ccn2)cccc1[N+](=O)[O-] ZINC000550881710 1102653583 /nfs/dbraw/zinc/65/35/83/1102653583.db2.gz CAGZENMUMCCWRF-LBPRGKRZSA-N 1 0 353.344 4.210 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cnn(Cc3ccccc3)c1)CCC2 ZINC000192659219 1102894652 /nfs/dbraw/zinc/89/46/52/1102894652.db2.gz NBARIGAWBMZDJR-OAQYLSRUSA-N 1 0 362.433 4.007 20 5 FIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCc3sc(Br)cc32)c1 ZINC000551086950 1102905804 /nfs/dbraw/zinc/90/58/04/1102905804.db2.gz HFCYCSRXXWALRF-ZDUSSCGKSA-N 1 0 367.268 4.238 20 5 FIBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(-n2ccnc2)cc1 ZINC000506939956 1102975196 /nfs/dbraw/zinc/97/51/96/1102975196.db2.gz PSMUDPQSIFGBCU-UHFFFAOYSA-N 1 0 350.422 4.191 20 5 FIBDRO CC[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000551241569 1102999111 /nfs/dbraw/zinc/99/91/11/1102999111.db2.gz SQDPXXCVXZMUGZ-OAHLLOKOSA-N 1 0 353.344 4.292 20 5 FIBDRO Cc1ccccc1[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000507163990 1103162773 /nfs/dbraw/zinc/16/27/73/1103162773.db2.gz IAOAPPGMJMMARQ-QGZVFWFLSA-N 1 0 367.449 4.030 20 5 FIBDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000315144993 1103175435 /nfs/dbraw/zinc/17/54/35/1103175435.db2.gz CYYUXAMTSYEUEX-CYBMUJFWSA-N 1 0 363.255 4.387 20 5 FIBDRO COc1ccc(CN(Cc2csc([N+](=O)[O-])c2)C(C)(C)C)c(OC)c1 ZINC000507209378 1103216513 /nfs/dbraw/zinc/21/65/13/1103216513.db2.gz HLDVIKXTKAAZID-UHFFFAOYSA-N 1 0 364.467 4.474 20 5 FIBDRO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000532801855 1103220455 /nfs/dbraw/zinc/22/04/55/1103220455.db2.gz FVJAKGUHHXPBNM-TXPKVOOTSA-N 1 0 356.470 4.434 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)s1 ZINC000551565889 1103367707 /nfs/dbraw/zinc/36/77/07/1103367707.db2.gz XOAVVAXNHITLAS-QZTJIDSGSA-N 1 0 358.463 4.467 20 5 FIBDRO Cc1c([C@@H](C)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000120833021 1103368948 /nfs/dbraw/zinc/36/89/48/1103368948.db2.gz MFYDKJLCEHGJAB-XLIONFOSSA-N 1 0 353.466 4.391 20 5 FIBDRO C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000455904192 1103760038 /nfs/dbraw/zinc/76/00/38/1103760038.db2.gz GTCCHQQGIGJIRP-ORAYPTAESA-N 1 0 368.437 4.026 20 5 FIBDRO Cc1cc([C@@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C2CC2)ccc1F ZINC000538319712 1104134860 /nfs/dbraw/zinc/13/48/60/1104134860.db2.gz BMLCYHKYPFYXRD-FQEVSTJZSA-N 1 0 371.412 4.030 20 5 FIBDRO CC[NH+](CC)CCCC1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000543898662 1104230975 /nfs/dbraw/zinc/23/09/75/1104230975.db2.gz NTVRUHUTTFMWCK-UHFFFAOYSA-N 1 0 370.497 4.481 20 5 FIBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2ccc(C)s2)c([N+](=O)[O-])c1 ZINC000441394356 1104327877 /nfs/dbraw/zinc/32/78/77/1104327877.db2.gz ONBHCXCBWKVFRT-HNNXBMFYSA-N 1 0 362.451 4.189 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@H]2C2CC2)ccc1Oc1ccc(F)cc1 ZINC000536338361 1104756975 /nfs/dbraw/zinc/75/69/75/1104756975.db2.gz GGMVGVYVVUUFHG-PXNSSMCTSA-N 1 0 372.396 4.183 20 5 FIBDRO CC(C)CN(Cc1ccccc1F)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000507767508 1104929350 /nfs/dbraw/zinc/92/93/50/1104929350.db2.gz RGHLKXVMQKRGOA-UHFFFAOYSA-N 1 0 374.412 4.259 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@H]3CC[C@@H](O)C3)cc2[N+](=O)[O-])cc1 ZINC000473994678 1105000666 /nfs/dbraw/zinc/00/06/66/1105000666.db2.gz KHDAQUKUXPOIQV-DOTOQJQBSA-N 1 0 372.490 4.305 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000520754831 1105203766 /nfs/dbraw/zinc/20/37/66/1105203766.db2.gz FBNAXBJSANSZRU-AWEZNQCLSA-N 1 0 357.376 4.068 20 5 FIBDRO CCSc1cc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)ccn1 ZINC000427875660 1105299126 /nfs/dbraw/zinc/29/91/26/1105299126.db2.gz PELYAOHHJDITGA-KRWDZBQOSA-N 1 0 357.479 4.213 20 5 FIBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000508197787 1105355084 /nfs/dbraw/zinc/35/50/84/1105355084.db2.gz ITQWJEZKZNWRDZ-UHFFFAOYSA-N 1 0 363.483 4.004 20 5 FIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000182630496 1106773380 /nfs/dbraw/zinc/77/33/80/1106773380.db2.gz KZGUBBUWAOEXJN-ZDUSSCGKSA-N 1 0 353.378 4.020 20 5 FIBDRO Cc1c(C[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000451314425 1107020240 /nfs/dbraw/zinc/02/02/40/1107020240.db2.gz WXTKPGTXVITILW-INIZCTEOSA-N 1 0 368.355 4.135 20 5 FIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3nc4ccc(F)cc4o3)C2)cc1 ZINC000451545615 1107163422 /nfs/dbraw/zinc/16/34/22/1107163422.db2.gz HUVJWIGGXNTZON-AWEZNQCLSA-N 1 0 355.369 4.255 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000530727617 1107291455 /nfs/dbraw/zinc/29/14/55/1107291455.db2.gz CIVBAWIISXAZPO-SUMWQHHRSA-N 1 0 373.840 4.013 20 5 FIBDRO C[NH+](C)Cc1ccc(-c2noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n2)cc1 ZINC000530871909 1107376974 /nfs/dbraw/zinc/37/69/74/1107376974.db2.gz ONMXXTQVPIXJBU-CSKARUKUSA-N 1 0 368.368 4.016 20 5 FIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452044520 1107442049 /nfs/dbraw/zinc/44/20/49/1107442049.db2.gz JCAXLKYKWSTQGN-JQPRRKSFSA-N 1 0 368.437 4.074 20 5 FIBDRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000531105574 1107538154 /nfs/dbraw/zinc/53/81/54/1107538154.db2.gz SNJTYWKQHSGDDT-GFCCVEGCSA-N 1 0 368.359 4.036 20 5 FIBDRO CCCOc1ccc(C(C)(C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000475676028 1107610244 /nfs/dbraw/zinc/61/02/44/1107610244.db2.gz XYSADDJZTSWGJB-UHFFFAOYSA-N 1 0 358.438 4.417 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OC ZINC000475557600 1107720051 /nfs/dbraw/zinc/72/00/51/1107720051.db2.gz ZFVVGBSUKXRWLF-WMLDXEAASA-N 1 0 374.412 4.177 20 5 FIBDRO CCN(CC)C(=O)c1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000127399560 1107880779 /nfs/dbraw/zinc/88/07/79/1107880779.db2.gz MJUBYOBQNYPFTP-INIZCTEOSA-N 1 0 369.465 4.236 20 5 FIBDRO Cn1cc([C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(C)(C)C)cn1 ZINC000531444610 1107904764 /nfs/dbraw/zinc/90/47/64/1107904764.db2.gz SGNNSOIDUJZIDJ-LJQANCHMSA-N 1 0 368.437 4.465 20 5 FIBDRO CC(C)[C@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[NH+]1CCCC1 ZINC000520207392 1108020243 /nfs/dbraw/zinc/02/02/43/1108020243.db2.gz URLOEBLIBCPPDI-IBGZPJMESA-N 1 0 357.454 4.065 20 5 FIBDRO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)O[C@@H](C)C2 ZINC000531688738 1108055441 /nfs/dbraw/zinc/05/54/41/1108055441.db2.gz DTGHJAXIIOSLOV-ZFWWWQNUSA-N 1 0 370.449 4.476 20 5 FIBDRO Cc1ccc([C@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000237562192 1108061701 /nfs/dbraw/zinc/06/17/01/1108061701.db2.gz BNEPOKLEAXPWAY-MRXNPFEDSA-N 1 0 364.449 4.197 20 5 FIBDRO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000531677571 1108064884 /nfs/dbraw/zinc/06/48/84/1108064884.db2.gz IIVKAYGCMGUWIG-JXFKEZNVSA-N 1 0 369.465 4.091 20 5 FIBDRO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444679275 1108080896 /nfs/dbraw/zinc/08/08/96/1108080896.db2.gz ABADQVYRBKJRHE-ZDUSSCGKSA-N 1 0 354.410 4.109 20 5 FIBDRO Cc1cc(C)cc([C@@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)c1 ZINC000444684699 1108088832 /nfs/dbraw/zinc/08/88/32/1108088832.db2.gz LEXGGGXGAWEPFT-OAHLLOKOSA-N 1 0 350.422 4.077 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCCC[C@H]3c3ccccc3)nc2c1 ZINC000444688187 1108089365 /nfs/dbraw/zinc/08/93/65/1108089365.db2.gz XVDZFZGSGLCMMW-IRXDYDNUSA-N 1 0 350.422 4.287 20 5 FIBDRO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000523441380 1108225675 /nfs/dbraw/zinc/22/56/75/1108225675.db2.gz PQRNOKOLCDOHCY-OAHLLOKOSA-N 1 0 366.421 4.016 20 5 FIBDRO C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000453228661 1108301334 /nfs/dbraw/zinc/30/13/34/1108301334.db2.gz AUWHDDGCRKYSTL-VHHKXPHXSA-N 1 0 365.477 4.441 20 5 FIBDRO CC[NH+](CC)[C@@H](c1nc(-c2cccc([N+](=O)[O-])c2C)no1)c1ccccc1 ZINC000453260709 1108332692 /nfs/dbraw/zinc/33/26/92/1108332692.db2.gz RAZASMMHYPNCQN-GOSISDBHSA-N 1 0 366.421 4.384 20 5 FIBDRO C[C@@H]([NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000453279428 1108355180 /nfs/dbraw/zinc/35/51/80/1108355180.db2.gz IUVCYMNBXQDFDT-SJKOYZFVSA-N 1 0 368.355 4.388 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)C1CC1 ZINC000453297457 1108372781 /nfs/dbraw/zinc/37/27/81/1108372781.db2.gz ZBLJOBCGGCITDM-HNNXBMFYSA-N 1 0 365.355 4.120 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)c3cccc(F)c3)s2)cc1 ZINC000523841195 1108603553 /nfs/dbraw/zinc/60/35/53/1108603553.db2.gz UAVCIUDQWGMWPV-SFHVURJKSA-N 1 0 372.421 4.286 20 5 FIBDRO CC(C)(C)[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000523860062 1108609958 /nfs/dbraw/zinc/60/99/58/1108609958.db2.gz ACYNVDXNMZQWIW-HNNXBMFYSA-N 1 0 358.442 4.293 20 5 FIBDRO Cc1cc(Br)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000453610026 1108657155 /nfs/dbraw/zinc/65/71/55/1108657155.db2.gz QKIDSRXOVYHWJU-UHFFFAOYSA-N 1 0 355.257 4.325 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C)N2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000532209750 1108712694 /nfs/dbraw/zinc/71/26/94/1108712694.db2.gz UVGUWQNFKSZFHL-UKRRQHHQSA-N 1 0 359.495 4.062 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@H](C)CCCO)cc2[N+](=O)[O-])cc1 ZINC000532294440 1108746901 /nfs/dbraw/zinc/74/69/01/1108746901.db2.gz HPQPAIYQRILBQI-OAHLLOKOSA-N 1 0 360.479 4.305 20 5 FIBDRO C[C@@H]1SCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000524035666 1108765199 /nfs/dbraw/zinc/76/51/99/1108765199.db2.gz AEPBTNDZKJWZHG-HNAYVOBHSA-N 1 0 358.463 4.152 20 5 FIBDRO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000445821973 1109002622 /nfs/dbraw/zinc/00/26/22/1109002622.db2.gz NLJKNZPLFKXXFZ-UHFFFAOYSA-N 1 0 367.449 4.152 20 5 FIBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000446003501 1109077916 /nfs/dbraw/zinc/07/79/16/1109077916.db2.gz JXTDIVOBIFUERO-HZPDHXFCSA-N 1 0 373.840 4.113 20 5 FIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000446489054 1109241187 /nfs/dbraw/zinc/24/11/87/1109241187.db2.gz UDOFAEYUHKBTMF-UHFFFAOYSA-N 1 0 370.453 4.067 20 5 FIBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(OCC3CCCCC3)CC2)c1 ZINC000525272864 1109320344 /nfs/dbraw/zinc/32/03/44/1109320344.db2.gz WEDIHQIEGZBJTI-UHFFFAOYSA-N 1 0 362.470 4.035 20 5 FIBDRO Cc1cc(NCc2cccc([N+](=O)[O-])c2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000525359333 1109350977 /nfs/dbraw/zinc/35/09/77/1109350977.db2.gz OCDAJKDJOXHCQN-UHFFFAOYSA-N 1 0 359.332 4.087 20 5 FIBDRO COc1ccc2c(c1)[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)CCCS2 ZINC000525869446 1109538516 /nfs/dbraw/zinc/53/85/16/1109538516.db2.gz DGFJDCCJJOWTCQ-GOSISDBHSA-N 1 0 358.463 4.363 20 5 FIBDRO COc1ccc(OCC[N@H+](Cc2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000441272616 1109544472 /nfs/dbraw/zinc/54/44/72/1109544472.db2.gz AITKPYUYYOQTMN-UHFFFAOYSA-N 1 0 362.401 4.032 20 5 FIBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000447526840 1109562099 /nfs/dbraw/zinc/56/20/99/1109562099.db2.gz DNOGNSFPGAEKJK-LIRRHRJNSA-N 1 0 370.449 4.210 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc3ccccc3c2)n1 ZINC000447526409 1109562133 /nfs/dbraw/zinc/56/21/33/1109562133.db2.gz BHLNRJJQVHCTKP-OALUTQOASA-N 1 0 350.422 4.218 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1cc2ccccc2s1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000525951935 1109562170 /nfs/dbraw/zinc/56/21/70/1109562170.db2.gz SJXQEZBZFIAXAM-CHWSQXEVSA-N 1 0 369.446 4.487 20 5 FIBDRO Cc1c2cc(F)ccc2oc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447544744 1109574052 /nfs/dbraw/zinc/57/40/52/1109574052.db2.gz PLAVDXSNAQICHF-HOTGVXAUSA-N 1 0 372.400 4.259 20 5 FIBDRO Cc1c2ccccc2oc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447545604 1109574580 /nfs/dbraw/zinc/57/45/80/1109574580.db2.gz RUIXFAOXHIQROR-HOTGVXAUSA-N 1 0 354.410 4.119 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)n1 ZINC000447584052 1109586321 /nfs/dbraw/zinc/58/63/21/1109586321.db2.gz DJYDZVRDGDCQSS-CBBWQLFWSA-N 1 0 374.407 4.233 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000526061806 1109613585 /nfs/dbraw/zinc/61/35/85/1109613585.db2.gz VAHHCICZIBFZMZ-OJNOIJSXSA-N 1 0 372.387 4.023 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000026227602 1109853346 /nfs/dbraw/zinc/85/33/46/1109853346.db2.gz PZSGDVNRWJVKFB-CYBMUJFWSA-N 1 0 361.829 4.236 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000026231505 1109889631 /nfs/dbraw/zinc/88/96/31/1109889631.db2.gz OJKXSZMGGBWMMI-MRXNPFEDSA-N 1 0 359.451 4.130 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000449100083 1109975827 /nfs/dbraw/zinc/97/58/27/1109975827.db2.gz VVLPQLIWSLJVIB-JKSUJKDBSA-N 1 0 367.449 4.003 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000449108637 1109977514 /nfs/dbraw/zinc/97/75/14/1109977514.db2.gz VEMSXDWLQKDVSP-SJORKVTESA-N 1 0 373.522 4.089 20 5 FIBDRO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000449142386 1109984506 /nfs/dbraw/zinc/98/45/06/1109984506.db2.gz NZTPDMRLMUOAOL-QWHCGFSZSA-N 1 0 362.401 4.033 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000449171442 1109988121 /nfs/dbraw/zinc/98/81/21/1109988121.db2.gz AGCXAVLAYDTYKE-LQWHRVPQSA-N 1 0 367.493 4.169 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000449165553 1109990479 /nfs/dbraw/zinc/99/04/79/1109990479.db2.gz ABOFECVEBYVKKD-HZPDHXFCSA-N 1 0 350.422 4.062 20 5 FIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c(C)c1OC ZINC000449331137 1110028339 /nfs/dbraw/zinc/02/83/39/1110028339.db2.gz NCKZEHWWFMVRQY-UKRRQHHQSA-N 1 0 358.438 4.202 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000449349940 1110038508 /nfs/dbraw/zinc/03/85/08/1110038508.db2.gz SHRRUBHAGNBUQK-MGPUTAFESA-N 1 0 356.422 4.003 20 5 FIBDRO CC(C)(CO)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000449409434 1110061672 /nfs/dbraw/zinc/06/16/72/1110061672.db2.gz TUDXOEJWLLAYDW-UHFFFAOYSA-N 1 0 352.818 4.006 20 5 FIBDRO CCO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000449496992 1110093247 /nfs/dbraw/zinc/09/32/47/1110093247.db2.gz QPSLVGCXWLVQPX-IFXJQAMLSA-N 1 0 374.437 4.110 20 5 FIBDRO CC(C)(C)c1ncc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449498484 1110093756 /nfs/dbraw/zinc/09/37/56/1110093756.db2.gz KSMDTTWZQUEGMS-QGZVFWFLSA-N 1 0 354.454 4.062 20 5 FIBDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000449663972 1110139943 /nfs/dbraw/zinc/13/99/43/1110139943.db2.gz AYERCLZQBOAGOJ-ZDUSSCGKSA-N 1 0 356.451 4.391 20 5 FIBDRO C[C@@H](Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450433747 1110297167 /nfs/dbraw/zinc/29/71/67/1110297167.db2.gz LLHLLSGIKOVXPX-HUUCEWRRSA-N 1 0 354.454 4.208 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2nc3cc(Cl)ccc3s2)cs1 ZINC000538427807 1111132764 /nfs/dbraw/zinc/13/27/64/1111132764.db2.gz UPQSSAYBYBWHND-UHFFFAOYSA-N 1 0 353.856 4.252 20 5 FIBDRO O=C(C[NH2+][C@@H](CC1CCC1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000538691208 1111247716 /nfs/dbraw/zinc/24/77/16/1111247716.db2.gz YWBNGTFNLZIDIE-SFHVURJKSA-N 1 0 353.422 4.054 20 5 FIBDRO COc1ccc(-c2ccc(C[NH+]3CCC(C(F)F)CC3)o2)c([N+](=O)[O-])c1 ZINC000538736034 1111270523 /nfs/dbraw/zinc/27/05/23/1111270523.db2.gz URFPGMJPVJAHMV-UHFFFAOYSA-N 1 0 366.364 4.341 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000470177259 1111306572 /nfs/dbraw/zinc/30/65/72/1111306572.db2.gz BJVJSUSZGDOKFM-UXSNQMCBSA-N 1 0 357.498 4.335 20 5 FIBDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000539065424 1111416191 /nfs/dbraw/zinc/41/61/91/1111416191.db2.gz HXEMNDWQDBFFQN-QEEYODRMSA-N 1 0 358.438 4.339 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000539069454 1111418166 /nfs/dbraw/zinc/41/81/66/1111418166.db2.gz FMAQGIIOMDYNTM-DZGCQCFKSA-N 1 0 373.840 4.013 20 5 FIBDRO C[C@@H]1CCC[C@H](C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000552063886 1111563480 /nfs/dbraw/zinc/56/34/80/1111563480.db2.gz QNQNRSCLSWQGNF-GFIVTLFCSA-N 1 0 356.470 4.080 20 5 FIBDRO O=[N+]([O-])c1cc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cs1 ZINC000552273757 1111655468 /nfs/dbraw/zinc/65/54/68/1111655468.db2.gz RMMYMWONLDBDFH-UHFFFAOYSA-N 1 0 371.506 4.144 20 5 FIBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000478046788 1111664232 /nfs/dbraw/zinc/66/42/32/1111664232.db2.gz OKWBGFVZSGAFLU-OAHLLOKOSA-N 1 0 368.359 4.037 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCCc3ccc(F)cc32)n1 ZINC000479475531 1112037195 /nfs/dbraw/zinc/03/71/95/1112037195.db2.gz NCJXTEBRFZRFLU-RCCFBDPRSA-N 1 0 358.417 4.081 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000479490658 1112044297 /nfs/dbraw/zinc/04/42/97/1112044297.db2.gz QENBLZSLUNQFIB-WZGPROSRSA-N 1 0 372.444 4.340 20 5 FIBDRO CC(C)(O)CC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000479870510 1112171533 /nfs/dbraw/zinc/17/15/33/1112171533.db2.gz BIDGTNWXKRSTJL-UHFFFAOYSA-N 1 0 364.829 4.291 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccccc1OC(F)F)C1CC1 ZINC000480239087 1112345086 /nfs/dbraw/zinc/34/50/86/1112345086.db2.gz DSWDVWBVDFCJLX-INIZCTEOSA-N 1 0 362.376 4.307 20 5 FIBDRO CCC(=O)c1ccc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c([N+](=O)[O-])c1 ZINC000480497303 1112448277 /nfs/dbraw/zinc/44/82/77/1112448277.db2.gz KRBPNODCNFREKC-KRWDZBQOSA-N 1 0 369.421 4.316 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H](c3cccnc3)C3CCC3)c2c1 ZINC000554741732 1112466843 /nfs/dbraw/zinc/46/68/43/1112466843.db2.gz MURKNVZSNVQCNQ-HXUWFJFHSA-N 1 0 350.422 4.145 20 5 FIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1c(Cl)ccc2cccnc21 ZINC000554846206 1112520185 /nfs/dbraw/zinc/52/01/85/1112520185.db2.gz NGQHNSBLNJEHCC-UHFFFAOYSA-N 1 0 355.825 4.471 20 5 FIBDRO COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)c1OC ZINC000554848961 1112528112 /nfs/dbraw/zinc/52/81/12/1112528112.db2.gz NEOFJZCXVVLOTD-UHFFFAOYSA-N 1 0 356.422 4.085 20 5 FIBDRO COc1ccccc1O[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000554873670 1112540172 /nfs/dbraw/zinc/54/01/72/1112540172.db2.gz PDEDTLRHGODNGH-OTIVFRFGSA-N 1 0 368.433 4.160 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cc[nH]c(=O)c1 ZINC000555607126 1112944210 /nfs/dbraw/zinc/94/42/10/1112944210.db2.gz VWQBMJOIMUOZLC-NSHDSACASA-N 1 0 373.796 4.460 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482324052 1113223676 /nfs/dbraw/zinc/22/36/76/1113223676.db2.gz AILMTARFMQMNDD-UONOGXRCSA-N 1 0 357.479 4.211 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3cccnc3)o2)c(Cl)c1 ZINC000171049672 1113300779 /nfs/dbraw/zinc/30/07/79/1113300779.db2.gz HUIUUOQGMPOKTP-UHFFFAOYSA-N 1 0 357.797 4.236 20 5 FIBDRO Cn1cc(C[NH2+]Cc2ccc(Cl)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171051604 1113304823 /nfs/dbraw/zinc/30/48/23/1113304823.db2.gz DYOJNLWLXWWFAR-UHFFFAOYSA-N 1 0 362.842 4.000 20 5 FIBDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000160152848 1113305868 /nfs/dbraw/zinc/30/58/68/1113305868.db2.gz QHHBALQSKQMARS-QWHCGFSZSA-N 1 0 366.508 4.088 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)c2c(c1)COCO2 ZINC000171052757 1113325191 /nfs/dbraw/zinc/32/51/91/1113325191.db2.gz UNXJBLLFGLRSQZ-UHFFFAOYSA-N 1 0 372.396 4.160 20 5 FIBDRO CCOc1cc(CCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000483231690 1113473015 /nfs/dbraw/zinc/47/30/15/1113473015.db2.gz JAQHXEWEZMTQHS-OAHLLOKOSA-N 1 0 358.438 4.286 20 5 FIBDRO C[NH+]1CCC(CC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000486396995 1113557821 /nfs/dbraw/zinc/55/78/21/1113557821.db2.gz AJDOFQDQRSVNIY-UHFFFAOYSA-N 1 0 369.421 4.058 20 5 FIBDRO O=C(Oc1ccc2ccccc2c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000912574568 1114112839 /nfs/dbraw/zinc/11/28/39/1114112839.db2.gz GWQSVAMJKFVROV-UHFFFAOYSA-N 1 0 359.341 4.153 20 5 FIBDRO COc1cc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000490090408 1114216984 /nfs/dbraw/zinc/21/69/84/1114216984.db2.gz UPTTYKHASFTVKT-INIZCTEOSA-N 1 0 358.463 4.218 20 5 FIBDRO COc1cc(C[N@H+](C(C)C)C2CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491093698 1114372443 /nfs/dbraw/zinc/37/24/43/1114372443.db2.gz WMCXHNYPRZWPHB-UHFFFAOYSA-N 1 0 372.412 4.400 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000491095631 1114373301 /nfs/dbraw/zinc/37/33/01/1114373301.db2.gz ZUODJRRRWWCVLY-TZMCWYRMSA-N 1 0 370.396 4.012 20 5 FIBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000586789093 1114393686 /nfs/dbraw/zinc/39/36/86/1114393686.db2.gz MEFDIRPVSWMITR-SESVDKBCSA-N 1 0 354.450 4.078 20 5 FIBDRO CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000056157011 1114615883 /nfs/dbraw/zinc/61/58/83/1114615883.db2.gz JRTPZOHSEQFRHH-LSDHHAIUSA-N 1 0 371.437 4.060 20 5 FIBDRO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000056170587 1114640094 /nfs/dbraw/zinc/64/00/94/1114640094.db2.gz NAIJKNKOOHDOKR-GJZGRUSLSA-N 1 0 371.437 4.060 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](F)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000588929977 1114676918 /nfs/dbraw/zinc/67/69/18/1114676918.db2.gz NGXAIVNQBWAIRC-SJORKVTESA-N 1 0 374.412 4.163 20 5 FIBDRO CC1CC[NH+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000056832374 1114819121 /nfs/dbraw/zinc/81/91/21/1114819121.db2.gz ORLHLAMAIZVQNO-UHFFFAOYSA-N 1 0 371.412 4.218 20 5 FIBDRO COc1cc(C[NH+]2CC(C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000589736696 1114837057 /nfs/dbraw/zinc/83/70/57/1114837057.db2.gz BXIMXXBVZKJKDP-UHFFFAOYSA-N 1 0 368.433 4.024 20 5 FIBDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000573046421 1115003203 /nfs/dbraw/zinc/00/32/03/1115003203.db2.gz ZLBDKVFQWRUARH-IAGOWNOFSA-N 1 0 367.449 4.110 20 5 FIBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000573046420 1115003358 /nfs/dbraw/zinc/00/33/58/1115003358.db2.gz ZLBDKVFQWRUARH-DLBZAZTESA-N 1 0 367.449 4.110 20 5 FIBDRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000045987647 1115147826 /nfs/dbraw/zinc/14/78/26/1115147826.db2.gz BFIPDZNIMHBVTJ-UHFFFAOYSA-N 1 0 370.453 4.067 20 5 FIBDRO CC(=O)c1ccc(NCc2ccccc2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000058304155 1115191157 /nfs/dbraw/zinc/19/11/57/1115191157.db2.gz IUFRMSWJKGFGME-UHFFFAOYSA-N 1 0 353.422 4.005 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+]C2(c3cccc(F)c3)CCC2)cccc1[N+](=O)[O-] ZINC000592145665 1115209536 /nfs/dbraw/zinc/20/95/36/1115209536.db2.gz WIEOHMGJXUXHNX-UHFFFAOYSA-N 1 0 371.412 4.040 20 5 FIBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1csc(C)c1 ZINC000592186718 1115219938 /nfs/dbraw/zinc/21/99/38/1115219938.db2.gz FFKNRVCRQNRPPU-AWEZNQCLSA-N 1 0 367.858 4.298 20 5 FIBDRO C[C@H]1CC2(C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CCOCC2 ZINC000592185024 1115222085 /nfs/dbraw/zinc/22/20/85/1115222085.db2.gz UDNZNWRVIWYKLZ-LBPRGKRZSA-N 1 0 358.360 4.005 20 5 FIBDRO CC(=O)Nc1ccc(-c2ccc(C[N@H+]3CCC[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000592985989 1115278526 /nfs/dbraw/zinc/27/85/26/1115278526.db2.gz JWTSHAQROZJHMF-CQSZACIVSA-N 1 0 353.422 4.205 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000574083639 1115285801 /nfs/dbraw/zinc/28/58/01/1115285801.db2.gz HFKJYGZMUIWXAD-LLVKDONJSA-N 1 0 354.328 4.478 20 5 FIBDRO COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574053408 1115287713 /nfs/dbraw/zinc/28/77/13/1115287713.db2.gz KTONHTGKKYHIGV-LJQANCHMSA-N 1 0 370.449 4.096 20 5 FIBDRO CC[C@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592427614 1115307258 /nfs/dbraw/zinc/30/72/58/1115307258.db2.gz HVEJJVFYHOOXHX-YJBOKZPZSA-N 1 0 373.428 4.085 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)c2ccccc2)c1 ZINC000157903964 1115380987 /nfs/dbraw/zinc/38/09/87/1115380987.db2.gz SPSVRYBMUQNHOP-HLAWJBBLSA-N 1 0 352.434 4.231 20 5 FIBDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594496645 1115450218 /nfs/dbraw/zinc/45/02/18/1115450218.db2.gz QEIZNYIRCLSUSF-VBKZILBWSA-N 1 0 362.433 4.427 20 5 FIBDRO Cc1cnc(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(C)c1 ZINC000594510615 1115456329 /nfs/dbraw/zinc/45/63/29/1115456329.db2.gz AEAWSAZPZAQHQY-UHFFFAOYSA-N 1 0 368.462 4.062 20 5 FIBDRO CC[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCCO1 ZINC000594517984 1115458581 /nfs/dbraw/zinc/45/85/81/1115458581.db2.gz FPOLYBFCYTYMEI-IRXDYDNUSA-N 1 0 361.467 4.156 20 5 FIBDRO Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000594740390 1115480320 /nfs/dbraw/zinc/48/03/20/1115480320.db2.gz XSOUVVCFSDSZAE-YSGRDPCXSA-N 1 0 351.450 4.165 20 5 FIBDRO C[C@]1(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1(F)F ZINC000594978640 1115500565 /nfs/dbraw/zinc/50/05/65/1115500565.db2.gz ULUVNHHUMRCBGQ-HNNXBMFYSA-N 1 0 353.394 4.243 20 5 FIBDRO COC[C@H](C)Oc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000594941848 1115501377 /nfs/dbraw/zinc/50/13/77/1115501377.db2.gz VHNCJDVFZNJHCB-JKSUJKDBSA-N 1 0 358.438 4.168 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000595014636 1115503923 /nfs/dbraw/zinc/50/39/23/1115503923.db2.gz MWSDKDTYMHHGDZ-NSHDSACASA-N 1 0 365.227 4.217 20 5 FIBDRO Cn1cc(C[NH2+][C@@H]2CC[C@@H]2c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594996323 1115505993 /nfs/dbraw/zinc/50/59/93/1115505993.db2.gz YTDLQCHVBJQWIK-WOJBJXKFSA-N 1 0 362.433 4.031 20 5 FIBDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595027814 1115510218 /nfs/dbraw/zinc/51/02/18/1115510218.db2.gz TYYJIVZTAYULAW-ARGWCVDVSA-N 1 0 374.437 4.039 20 5 FIBDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041145 1115511000 /nfs/dbraw/zinc/51/10/00/1115511000.db2.gz YSDPAVRWAUGQBP-GTNSWQLSSA-N 1 0 360.385 4.089 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCC2(CC2(F)F)CC1)C1CC1 ZINC000595100458 1115515851 /nfs/dbraw/zinc/51/58/51/1115515851.db2.gz WCWFVHPDWXISRX-PQUAAJSLSA-N 1 0 350.409 4.474 20 5 FIBDRO CCC[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000595089056 1115517490 /nfs/dbraw/zinc/51/74/90/1115517490.db2.gz XYGMTMPOEAPJMO-UXPWSPDFSA-N 1 0 356.470 4.171 20 5 FIBDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000595084740 1115517728 /nfs/dbraw/zinc/51/77/28/1115517728.db2.gz ITGXPHLWVKOUFZ-BEVDRBHNSA-N 1 0 368.481 4.052 20 5 FIBDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000575026887 1115529989 /nfs/dbraw/zinc/52/99/89/1115529989.db2.gz FCZCDGDHHFVNIU-PBHICJAKSA-N 1 0 356.422 4.195 20 5 FIBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](c2ccc(F)cc2)C(C)C)c1 ZINC000593018661 1115537307 /nfs/dbraw/zinc/53/73/07/1115537307.db2.gz IOKAIRJMEOMFLY-SFHVURJKSA-N 1 0 360.385 4.007 20 5 FIBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)c1 ZINC000593018621 1115537584 /nfs/dbraw/zinc/53/75/84/1115537584.db2.gz IOKAIRJMEOMFLY-GOSISDBHSA-N 1 0 360.385 4.007 20 5 FIBDRO CC(C)n1cc(C2=CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000595518286 1115539860 /nfs/dbraw/zinc/53/98/60/1115539860.db2.gz UNRRMYFZJVKNSF-OAHLLOKOSA-N 1 0 355.442 4.008 20 5 FIBDRO CC[C@@H](CC(F)F)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000595562764 1115540779 /nfs/dbraw/zinc/54/07/79/1115540779.db2.gz LOMCIDZBGFMZBH-XIRDDKMYSA-N 1 0 370.440 4.382 20 5 FIBDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000595686352 1115556740 /nfs/dbraw/zinc/55/67/40/1115556740.db2.gz XHHTUQGYRVVNNC-UGSOOPFHSA-N 1 0 359.401 4.048 20 5 FIBDRO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595709189 1115557372 /nfs/dbraw/zinc/55/73/72/1115557372.db2.gz WWTJABMZNRZYSW-VEVIJQCQSA-N 1 0 364.405 4.024 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC(F)CC1 ZINC000595817713 1115562644 /nfs/dbraw/zinc/56/26/44/1115562644.db2.gz BQBJHWFMTYVKBA-ATAKMUTHSA-N 1 0 362.405 4.212 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cnccc1C(F)(F)F)CCC2 ZINC000596118421 1115574957 /nfs/dbraw/zinc/57/49/57/1115574957.db2.gz YPJWZXHZYXQMQI-MRXNPFEDSA-N 1 0 351.328 4.176 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(c3ccon3)CC2)o1 ZINC000597230817 1115649988 /nfs/dbraw/zinc/64/99/88/1115649988.db2.gz ZLQQRFUEDZGVJH-UHFFFAOYSA-N 1 0 353.378 4.222 20 5 FIBDRO COCc1csc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000602710432 1115720250 /nfs/dbraw/zinc/72/02/50/1115720250.db2.gz KYMVIFNXNOZQMY-UHFFFAOYSA-N 1 0 360.357 4.111 20 5 FIBDRO O=C(CC[C@H]1CCC[NH2+]C1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000598666823 1115745516 /nfs/dbraw/zinc/74/55/16/1115745516.db2.gz YFGXYHARAXNTMC-OAHLLOKOSA-N 1 0 369.421 4.105 20 5 FIBDRO COc1ccccc1[C@H]1CCCN1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761289933 1115755786 /nfs/dbraw/zinc/75/57/86/1115755786.db2.gz INEKDBOHECHPOR-GOSISDBHSA-N 1 0 366.421 4.056 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(C4(O)CC4)CC3)s2)cc1 ZINC000593647806 1115773059 /nfs/dbraw/zinc/77/30/59/1115773059.db2.gz LQRADDCXBUDRPD-UHFFFAOYSA-N 1 0 358.463 4.060 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccccc1CC(F)(F)F ZINC000599018318 1115779682 /nfs/dbraw/zinc/77/96/82/1115779682.db2.gz VMULSBXPDCHZPY-UHFFFAOYSA-N 1 0 368.355 4.388 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+]CC(C1CCC1)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599056773 1115785035 /nfs/dbraw/zinc/78/50/35/1115785035.db2.gz NOEMAMCKLSBFAV-HXUWFJFHSA-N 1 0 368.481 4.224 20 5 FIBDRO CCc1ccc([C@H](NC[C@H]2CCCC[N@H+](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000599072035 1115787132 /nfs/dbraw/zinc/78/71/32/1115787132.db2.gz WZELYUUUCZYSPF-IIBYNOLFSA-N 1 0 371.481 4.161 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)c2ccc(C)cn2)cc1[N+](=O)[O-] ZINC000599072003 1115787262 /nfs/dbraw/zinc/78/72/62/1115787262.db2.gz WFTPVIFBSAFPJU-OAHLLOKOSA-N 1 0 357.454 4.325 20 5 FIBDRO Cc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cc1F ZINC000599444408 1115815457 /nfs/dbraw/zinc/81/54/57/1115815457.db2.gz VTQFDSUESGWESZ-WGSAOQKQSA-N 1 0 372.440 4.348 20 5 FIBDRO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000603838682 1115818345 /nfs/dbraw/zinc/81/83/45/1115818345.db2.gz BFBPTYXDICRODY-SFHVURJKSA-N 1 0 356.422 4.339 20 5 FIBDRO C[C@H](C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000599633226 1115832524 /nfs/dbraw/zinc/83/25/24/1115832524.db2.gz OFVJRMROLDMXSC-CQSZACIVSA-N 1 0 358.442 4.293 20 5 FIBDRO Cc1ccc([C@@H](C)[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000604435462 1115865410 /nfs/dbraw/zinc/86/54/10/1115865410.db2.gz BUQUNDKWDCGPKF-MRXNPFEDSA-N 1 0 355.438 4.233 20 5 FIBDRO CC1CCN([C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000604478989 1115866359 /nfs/dbraw/zinc/86/63/59/1115866359.db2.gz RJENQWRENAZNCV-GOSISDBHSA-N 1 0 359.495 4.219 20 5 FIBDRO Cc1ccc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)cc1[N+](=O)[O-] ZINC000604481176 1115866390 /nfs/dbraw/zinc/86/63/90/1115866390.db2.gz IFUWDBYFOABBIS-HXUWFJFHSA-N 1 0 373.884 4.483 20 5 FIBDRO Cc1c(NC(=O)CC[N@H+](Cc2ccc(F)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000063483169 1116073726 /nfs/dbraw/zinc/07/37/26/1116073726.db2.gz FUVAJTSWXUKXTR-UHFFFAOYSA-N 1 0 371.412 4.036 20 5 FIBDRO COc1cc(C[NH2+]C[C@H](C)C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000608782107 1116128300 /nfs/dbraw/zinc/12/83/00/1116128300.db2.gz NTYALIXGIBCCTN-HNNXBMFYSA-N 1 0 370.449 4.318 20 5 FIBDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)Cc1ccccc1[N+](=O)[O-] ZINC000608780197 1116128368 /nfs/dbraw/zinc/12/83/68/1116128368.db2.gz KEUJCWLAVJKPCZ-UHFFFAOYSA-N 1 0 369.396 4.454 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCn2c(C)nc3ccccc32)cc1[N+](=O)[O-] ZINC000152657348 1116159026 /nfs/dbraw/zinc/15/90/26/1116159026.db2.gz HURZUDMNENAOFO-CQSZACIVSA-N 1 0 368.437 4.002 20 5 FIBDRO CC[N@H+](CCc1cccs1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534849042 1116242447 /nfs/dbraw/zinc/24/24/47/1116242447.db2.gz ZZDSGBUCPUJTAG-UHFFFAOYSA-N 1 0 357.435 4.376 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3CCC(F)(F)CC3)cs2)c1 ZINC000534903852 1116250256 /nfs/dbraw/zinc/25/02/56/1116250256.db2.gz GFFXVJSXMJGGHQ-UHFFFAOYSA-N 1 0 353.394 4.386 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000122161397 1116298819 /nfs/dbraw/zinc/29/88/19/1116298819.db2.gz WSVNNBZWVPGPAZ-UXBLZVDNSA-N 1 0 352.434 4.289 20 5 FIBDRO CC(C)[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000152768586 1116323744 /nfs/dbraw/zinc/32/37/44/1116323744.db2.gz CLXPOJIVPTXCOE-XOBRGWDASA-N 1 0 356.422 4.414 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C3CCOCC3)o2)cc1 ZINC000539669158 1116363402 /nfs/dbraw/zinc/36/34/02/1116363402.db2.gz LWRJYMQHGDSTKY-LJQANCHMSA-N 1 0 356.422 4.246 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]4COCC[C@H]43)s2)cc1 ZINC000539891331 1116395869 /nfs/dbraw/zinc/39/58/69/1116395869.db2.gz LMZKIIOOZBJTGN-MAUKXSAKSA-N 1 0 358.463 4.324 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)o1 ZINC000539897041 1117739876 /nfs/dbraw/zinc/73/98/76/1117739876.db2.gz XWYSYPLQAJPZBQ-HOTGVXAUSA-N 1 0 356.422 4.103 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CC[N@H+](CC3CCCC3)C2)o1 ZINC000462735485 1117741618 /nfs/dbraw/zinc/74/16/18/1117741618.db2.gz BKBVWUDKFFVVFW-QGZVFWFLSA-N 1 0 369.465 4.209 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)c1ccc(F)cc1F ZINC000462755992 1117756060 /nfs/dbraw/zinc/75/60/60/1117756060.db2.gz NJTXPSPIXGGAJD-GFCCVEGCSA-N 1 0 350.365 4.165 20 5 FIBDRO C[C@@]1([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCCOC1 ZINC000540068397 1117854234 /nfs/dbraw/zinc/85/42/34/1117854234.db2.gz BCHJOZKBIARYKR-LJQANCHMSA-N 1 0 360.385 4.185 20 5 FIBDRO C[N@H+](CCCNc1ccc([N+](=O)[O-])c(OC(F)F)c1)Cc1ccccc1 ZINC000462930582 1117866753 /nfs/dbraw/zinc/86/67/53/1117866753.db2.gz JFTLOMXNPQLHRG-UHFFFAOYSA-N 1 0 365.380 4.130 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000540152932 1117906721 /nfs/dbraw/zinc/90/67/21/1117906721.db2.gz XDJRHRZNPYVDOZ-PXAZEXFGSA-N 1 0 368.355 4.306 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H](O)Cc1ccccc1 ZINC000540154937 1117908071 /nfs/dbraw/zinc/90/80/71/1117908071.db2.gz ASOFKZVJCWUTRP-WDYCEAGBSA-N 1 0 374.506 4.047 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](n4cccn4)C3)o2)c(Cl)c1 ZINC000463038120 1117932042 /nfs/dbraw/zinc/93/20/42/1117932042.db2.gz XGIPVUSGBQEQJE-CQSZACIVSA-N 1 0 372.812 4.152 20 5 FIBDRO CCOc1ccccc1[C@@H](CC)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000540353492 1117999056 /nfs/dbraw/zinc/99/90/56/1117999056.db2.gz DLIGMUMLXAFGCI-RDTXWAMCSA-N 1 0 371.437 4.061 20 5 FIBDRO Cc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000540388241 1118022115 /nfs/dbraw/zinc/02/21/15/1118022115.db2.gz PAPMCBIWPBTEPX-ZDUSSCGKSA-N 1 0 361.829 4.154 20 5 FIBDRO Cc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000540388238 1118022665 /nfs/dbraw/zinc/02/26/65/1118022665.db2.gz PAPMCBIWPBTEPX-CYBMUJFWSA-N 1 0 361.829 4.154 20 5 FIBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000540607263 1118147475 /nfs/dbraw/zinc/14/74/75/1118147475.db2.gz MJISXAWQTQTEJY-AVYPCKFXSA-N 1 0 360.429 4.421 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCc1nc2ccccc2n1C ZINC000090050140 1118272531 /nfs/dbraw/zinc/27/25/31/1118272531.db2.gz VYMGRWFBEYXPLG-INIZCTEOSA-N 1 0 366.465 4.025 20 5 FIBDRO CCc1ccc([C@H]([NH2+][C@H](C)Cc2cc(C)n[nH]2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541564647 1118556784 /nfs/dbraw/zinc/55/67/84/1118556784.db2.gz AONUZFYZJMJYFV-ZUOKHONESA-N 1 0 368.437 4.092 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CCCc2ccccn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541565904 1118557281 /nfs/dbraw/zinc/55/72/81/1118557281.db2.gz JKJRCQVAWDXLHS-NRFANRHFSA-N 1 0 365.433 4.457 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541701956 1118616543 /nfs/dbraw/zinc/61/65/43/1118616543.db2.gz ZTWZRZBPLQGYGD-FXAWDEMLSA-N 1 0 374.412 4.095 20 5 FIBDRO COc1cc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)c([N+](=O)[O-])cc1F ZINC000464677924 1118648858 /nfs/dbraw/zinc/64/88/58/1118648858.db2.gz NNYYUZAGPWXWAY-UHFFFAOYSA-N 1 0 362.376 4.441 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000464762044 1118684520 /nfs/dbraw/zinc/68/45/20/1118684520.db2.gz ICZDEOLPKNFHMV-INIZCTEOSA-N 1 0 358.463 4.088 20 5 FIBDRO Cc1ccc(CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]2CCCO2)cc1 ZINC000464781922 1118693064 /nfs/dbraw/zinc/69/30/64/1118693064.db2.gz WYQBQCFYFPJCFA-SFHVURJKSA-N 1 0 360.479 4.188 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3cscn3)o2)c(Cl)c1 ZINC000076331572 1118710714 /nfs/dbraw/zinc/71/07/14/1118710714.db2.gz LBZQSBOSCMVGND-UHFFFAOYSA-N 1 0 363.826 4.297 20 5 FIBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C)C[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000464849742 1118721999 /nfs/dbraw/zinc/72/19/99/1118721999.db2.gz IHBZLVCYRBGHFR-GOEBONIOSA-N 1 0 360.410 4.048 20 5 FIBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C)C[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000464849744 1118722168 /nfs/dbraw/zinc/72/21/68/1118722168.db2.gz IHBZLVCYRBGHFR-ZBFHGGJFSA-N 1 0 360.410 4.048 20 5 FIBDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCO2 ZINC000090217637 1118723375 /nfs/dbraw/zinc/72/33/75/1118723375.db2.gz FBCODIIVYIIGMJ-RDTXWAMCSA-N 1 0 356.422 4.476 20 5 FIBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000542314564 1118899691 /nfs/dbraw/zinc/89/96/91/1118899691.db2.gz LTNNOUXCUUXJQZ-YJYMSZOUSA-N 1 0 360.385 4.183 20 5 FIBDRO CC(C)C[NH+]1CCC(N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000491341926 1118925273 /nfs/dbraw/zinc/92/52/73/1118925273.db2.gz GNBDJYJFWROXII-QFIPXVFZSA-N 1 0 367.493 4.394 20 5 FIBDRO CCC[NH+]1CCC(N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000491343841 1118936845 /nfs/dbraw/zinc/93/68/45/1118936845.db2.gz SQCKFXROGFEIGI-OAQYLSRUSA-N 1 0 353.466 4.148 20 5 FIBDRO CCCOc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000492106543 1119025961 /nfs/dbraw/zinc/02/59/61/1119025961.db2.gz NVYBCJMHPDPLFS-UHFFFAOYSA-N 1 0 358.438 4.417 20 5 FIBDRO CCOc1cc(C[NH2+][C@H](C)c2ccccc2-n2cccn2)ccc1[N+](=O)[O-] ZINC000492606642 1119143199 /nfs/dbraw/zinc/14/31/99/1119143199.db2.gz KNYWDWCJLYFKAC-OAHLLOKOSA-N 1 0 366.421 4.030 20 5 FIBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1)CCC2 ZINC000492702222 1119168616 /nfs/dbraw/zinc/16/86/16/1119168616.db2.gz KHSDLWJCXSXXNR-HNNXBMFYSA-N 1 0 361.467 4.132 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000492912790 1119212586 /nfs/dbraw/zinc/21/25/86/1119212586.db2.gz QCGWLFRTFLOPAQ-KKSFZXQISA-N 1 0 352.434 4.138 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000493006382 1119240950 /nfs/dbraw/zinc/24/09/50/1119240950.db2.gz DFXVMNANVMOYIS-LLVKDONJSA-N 1 0 354.328 4.473 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC(c3cccc(Br)c3)C2)cc1 ZINC000386939672 1119249059 /nfs/dbraw/zinc/24/90/59/1119249059.db2.gz QPIIJWAGEQFNRW-UHFFFAOYSA-N 1 0 361.239 4.393 20 5 FIBDRO C[NH+](C)C1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000089266862 1119271812 /nfs/dbraw/zinc/27/18/12/1119271812.db2.gz KJYMBAIHSUZDRY-UHFFFAOYSA-N 1 0 358.417 4.008 20 5 FIBDRO Cc1cc(Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000089266947 1119274436 /nfs/dbraw/zinc/27/44/36/1119274436.db2.gz PHHFQNDDBTZWEN-UHFFFAOYSA-N 1 0 354.454 4.177 20 5 FIBDRO C[C@]1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCC[C@@H]1O ZINC000493177797 1119328611 /nfs/dbraw/zinc/32/86/11/1119328611.db2.gz QWIUSMBKTDZWPQ-PWRODBHTSA-N 1 0 354.450 4.215 20 5 FIBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000761512881 1119405943 /nfs/dbraw/zinc/40/59/43/1119405943.db2.gz YWUWQRXCGVMUAN-XKQJLSEDSA-N 1 0 352.862 4.274 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)cc1Cl ZINC000761520346 1119409349 /nfs/dbraw/zinc/40/93/49/1119409349.db2.gz BQNIMBOIOCFTAC-KRWDZBQOSA-N 1 0 363.845 4.158 20 5 FIBDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)N2CCCC2)o1 ZINC000761531169 1119411168 /nfs/dbraw/zinc/41/11/68/1119411168.db2.gz BXWQWKGYRWMOJT-QGZVFWFLSA-N 1 0 363.845 4.076 20 5 FIBDRO C/C(=C/c1ccccc1)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000494262286 1119814611 /nfs/dbraw/zinc/81/46/11/1119814611.db2.gz NDOGBYRROSUPBF-SSZFMOIBSA-N 1 0 367.449 4.267 20 5 FIBDRO Cc1c(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000494450272 1119864351 /nfs/dbraw/zinc/86/43/51/1119864351.db2.gz DARRXSRMMQIDHY-FUHWJXTLSA-N 1 0 364.804 4.316 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc(C(F)(F)F)c1 ZINC000494498585 1119880634 /nfs/dbraw/zinc/88/06/34/1119880634.db2.gz WCUXSFDURWWBNA-OAGGEKHMSA-N 1 0 370.371 4.051 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc(C(F)(F)F)c1 ZINC000494498584 1119880940 /nfs/dbraw/zinc/88/09/40/1119880940.db2.gz WCUXSFDURWWBNA-BZUAXINKSA-N 1 0 370.371 4.051 20 5 FIBDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494715089 1120079356 /nfs/dbraw/zinc/07/93/56/1120079356.db2.gz LSPCFQYPMAZEAD-UXHICEINSA-N 1 0 356.466 4.317 20 5 FIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000494996005 1120422767 /nfs/dbraw/zinc/42/27/67/1120422767.db2.gz HHLAYMYRHLITRO-UONOGXRCSA-N 1 0 369.412 4.117 20 5 FIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000495030866 1120439981 /nfs/dbraw/zinc/43/99/81/1120439981.db2.gz QSJISWYUNRTWDE-KGLIPLIRSA-N 1 0 369.412 4.117 20 5 FIBDRO CCn1c(=O)c2cc3ccccc3cc2nc1SCC[NH+]1CCCCC1 ZINC000495250463 1120574879 /nfs/dbraw/zinc/57/48/79/1120574879.db2.gz BFSIFBLIESQPGY-UHFFFAOYSA-N 1 0 367.518 4.148 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@H](c3ccccc3)C1)CCC2 ZINC000193292276 1120670926 /nfs/dbraw/zinc/67/09/26/1120670926.db2.gz UUMGJAQFAFLVSW-WMQCIHAUSA-N 1 0 352.434 4.482 20 5 FIBDRO COc1cc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000495421795 1120806014 /nfs/dbraw/zinc/80/60/14/1120806014.db2.gz VNIYBOZCDOENQT-NSHDSACASA-N 1 0 352.793 4.289 20 5 FIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000172179761 1121038356 /nfs/dbraw/zinc/03/83/56/1121038356.db2.gz ABVIXMALAYWOAM-UHFFFAOYSA-N 1 0 364.804 4.183 20 5 FIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000131446054 1121158162 /nfs/dbraw/zinc/15/81/62/1121158162.db2.gz IEIGXSMKWTZMQQ-AWEZNQCLSA-N 1 0 368.412 4.387 20 5 FIBDRO CC(=O)c1cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000552908266 1121363613 /nfs/dbraw/zinc/36/36/13/1121363613.db2.gz PUMWGTNUEJLIBC-HXUWFJFHSA-N 1 0 353.422 4.046 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000765818057 1122136934 /nfs/dbraw/zinc/13/69/34/1122136934.db2.gz QQXYAZNQJZWVMW-AUUYWEPGSA-N 1 0 362.857 4.067 20 5 FIBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 ZINC001128039423 1122149997 /nfs/dbraw/zinc/14/99/97/1122149997.db2.gz CLVAHPWFFRQEIJ-UHFFFAOYSA-N 1 0 361.829 4.342 20 5 FIBDRO COc1cc(F)c([N+](=O)[O-])c(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000301476728 1122155480 /nfs/dbraw/zinc/15/54/80/1122155480.db2.gz ORLCLCFLPZJENB-AWEZNQCLSA-N 1 0 373.428 4.380 20 5 FIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCCC3)CC2)cc1OC(F)F ZINC000301470978 1122156379 /nfs/dbraw/zinc/15/63/79/1122156379.db2.gz JLJJMKAITKDIJP-UHFFFAOYSA-N 1 0 369.412 4.405 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000917134003 1122190849 /nfs/dbraw/zinc/19/08/49/1122190849.db2.gz LSXHFQMDVPPMAB-MRXNPFEDSA-N 1 0 365.433 4.464 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000301551231 1122219892 /nfs/dbraw/zinc/21/98/92/1122219892.db2.gz QRKNULZEKKYDQI-VQIMIIECSA-N 1 0 369.465 4.206 20 5 FIBDRO CC[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153616404 1122244420 /nfs/dbraw/zinc/24/44/20/1122244420.db2.gz AILIMBDXYVLSDK-HXUWFJFHSA-N 1 0 354.450 4.384 20 5 FIBDRO COc1ccc(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000273411197 1122254185 /nfs/dbraw/zinc/25/41/85/1122254185.db2.gz IIGGXFAZOKPLHQ-PXNSSMCTSA-N 1 0 374.412 4.095 20 5 FIBDRO Cc1ccc(C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000542709034 1122311113 /nfs/dbraw/zinc/31/11/13/1122311113.db2.gz GECWAOKPVYBTOW-ICSRJNTNSA-N 1 0 358.413 4.394 20 5 FIBDRO CCC[N@@H+](Cc1ccc(C)cc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000917454427 1122319440 /nfs/dbraw/zinc/31/94/40/1122319440.db2.gz GZSMWUHTLRVCTE-UHFFFAOYSA-N 1 0 365.437 4.031 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H](O)C(F)(F)F ZINC000498373321 1122756331 /nfs/dbraw/zinc/75/63/31/1122756331.db2.gz NCMKSQLAIOTBGK-SWLSCSKDSA-N 1 0 374.384 4.115 20 5 FIBDRO O=[N+]([O-])c1ccc(CSC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000556339603 1122822670 /nfs/dbraw/zinc/82/26/70/1122822670.db2.gz BBDVCEJXGWSLOF-HXUWFJFHSA-N 1 0 372.490 4.119 20 5 FIBDRO CCC(CC)(CNC(=O)c1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccccc1 ZINC000609549438 1123754459 /nfs/dbraw/zinc/75/44/59/1123754459.db2.gz CNPRNONLVUFOQT-MRXNPFEDSA-N 1 0 369.465 4.234 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000609586637 1123759978 /nfs/dbraw/zinc/75/99/78/1123759978.db2.gz NDSVFDOPZBKUIM-FQEVSTJZSA-N 1 0 355.438 4.410 20 5 FIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000609672574 1123790114 /nfs/dbraw/zinc/79/01/14/1123790114.db2.gz QENWJEGHRXULCY-LJQANCHMSA-N 1 0 358.463 4.154 20 5 FIBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000609766971 1123825439 /nfs/dbraw/zinc/82/54/39/1123825439.db2.gz AEFMABHVXIFSNC-CYBMUJFWSA-N 1 0 358.385 4.215 20 5 FIBDRO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2Cl)[NH+]2CCCC2)cc1 ZINC000609891955 1123881763 /nfs/dbraw/zinc/88/17/63/1123881763.db2.gz RZTNFAOVVQODPG-KRWDZBQOSA-N 1 0 360.845 4.201 20 5 FIBDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000237636956 1124002835 /nfs/dbraw/zinc/00/28/35/1124002835.db2.gz ATWUKGPEXZSPIK-UHFFFAOYSA-N 1 0 364.449 4.055 20 5 FIBDRO O=[N+]([O-])c1ccccc1CN(Cc1c(C2CC2)nc2sccn12)C1CC1 ZINC000179695334 1124032538 /nfs/dbraw/zinc/03/25/38/1124032538.db2.gz HJUBKNVDPSDRGW-UHFFFAOYSA-N 1 0 368.462 4.346 20 5 FIBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)cc1 ZINC000765848141 1124151311 /nfs/dbraw/zinc/15/13/11/1124151311.db2.gz GAVCTYRZYYSVBI-HZPDHXFCSA-N 1 0 367.232 4.212 20 5 FIBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1Cl ZINC000765848988 1124193700 /nfs/dbraw/zinc/19/37/00/1124193700.db2.gz MYLIAONWNOHGHY-QLJPJBMISA-N 1 0 355.221 4.286 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCN4CCCC[C@@H]34)s2)cc1 ZINC000238003739 1124224462 /nfs/dbraw/zinc/22/44/62/1124224462.db2.gz GSGRQPUHVODOTB-ROUUACIJSA-N 1 0 357.479 4.040 20 5 FIBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000554047096 1124260458 /nfs/dbraw/zinc/26/04/58/1124260458.db2.gz ACPKDAHBFKVWEI-KXBFYZLASA-N 1 0 370.453 4.025 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000765884139 1124327975 /nfs/dbraw/zinc/32/79/75/1124327975.db2.gz XNSANZPICIVJRQ-YCRPNKLZSA-N 1 0 350.418 4.441 20 5 FIBDRO CC[C@@H](CCO)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000152669708 1124368065 /nfs/dbraw/zinc/36/80/65/1124368065.db2.gz LYXAGDOOBWAENJ-AWEZNQCLSA-N 1 0 362.401 4.024 20 5 FIBDRO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000542853564 1124466629 /nfs/dbraw/zinc/46/66/29/1124466629.db2.gz GCMNJFTXCYWSCT-FOIQADDNSA-N 1 0 354.454 4.007 20 5 FIBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC001128150061 1124713853 /nfs/dbraw/zinc/71/38/53/1124713853.db2.gz NKSVOKNFJJLNIA-UHFFFAOYSA-N 1 0 355.438 4.306 20 5 FIBDRO CC(=O)c1ccc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000301678225 1124954418 /nfs/dbraw/zinc/95/44/18/1124954418.db2.gz RNYWHKGHFFIEDV-INIZCTEOSA-N 1 0 373.497 4.278 20 5 FIBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000181528697 1125000176 /nfs/dbraw/zinc/00/01/76/1125000176.db2.gz ZLTLYIVFDNIYIA-MRXNPFEDSA-N 1 0 361.829 4.236 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000489005475 1125056995 /nfs/dbraw/zinc/05/69/95/1125056995.db2.gz QEOZCDAWNYDGBM-GDBMZVCRSA-N 1 0 359.401 4.042 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCc4cc(O)ccc4C3)o2)cc1 ZINC000618197889 1125111991 /nfs/dbraw/zinc/11/19/91/1125111991.db2.gz RHCZMJUOSJFJRL-KRWDZBQOSA-N 1 0 364.401 4.208 20 5 FIBDRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000181809895 1125141860 /nfs/dbraw/zinc/14/18/60/1125141860.db2.gz SVSNDOLNFIZGFU-CYBMUJFWSA-N 1 0 361.829 4.154 20 5 FIBDRO C[N@@H+]1CCC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301753108 1125209413 /nfs/dbraw/zinc/20/94/13/1125209413.db2.gz VYIZDQRIITWQKY-ABAIWWIYSA-N 1 0 366.874 4.200 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2nccc3ccccc32)cc(C(F)(F)F)c1 ZINC000618730006 1125256551 /nfs/dbraw/zinc/25/65/51/1125256551.db2.gz CHGZZMQZYROUOL-UHFFFAOYSA-N 1 0 361.323 4.452 20 5 FIBDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618987560 1125412069 /nfs/dbraw/zinc/41/20/69/1125412069.db2.gz GCBMWPAPFGSPBY-ROUUACIJSA-N 1 0 368.433 4.439 20 5 FIBDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000105727741 222373314 /nfs/dbraw/zinc/37/33/14/222373314.db2.gz CYCMRXQLWIOWAV-LJQANCHMSA-N 1 0 354.406 4.107 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1OC ZINC000568543346 568048824 /nfs/dbraw/zinc/04/88/24/568048824.db2.gz QULULNCYXKVHPB-BSIFCXSSSA-N 1 0 370.449 4.044 20 5 FIBDRO Cc1sc(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)cc1[N+](=O)[O-] ZINC000128590513 568060798 /nfs/dbraw/zinc/06/07/98/568060798.db2.gz GTFOOYMDZOKOMX-UHFFFAOYSA-N 1 0 359.451 4.121 20 5 FIBDRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)N2CCCC2)o1 ZINC000482014303 568230621 /nfs/dbraw/zinc/23/06/21/568230621.db2.gz JGNYYEVOFYWQKP-LPHOPBHVSA-N 1 0 357.454 4.292 20 5 FIBDRO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291635332 568236011 /nfs/dbraw/zinc/23/60/11/568236011.db2.gz SSADBVSOIHPALS-CYBMUJFWSA-N 1 0 368.220 4.169 20 5 FIBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1[C@H]1CCCO1 ZINC000568921625 568252459 /nfs/dbraw/zinc/25/24/59/568252459.db2.gz JMKOSSWRGHTSCU-RTBURBONSA-N 1 0 356.422 4.244 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc2n1 ZINC000569312476 568367468 /nfs/dbraw/zinc/36/74/68/568367468.db2.gz MODCWWCGTGTQLH-LJQANCHMSA-N 1 0 363.417 4.319 20 5 FIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165049036 721969453 /nfs/dbraw/zinc/96/94/53/721969453.db2.gz RBBFYSQLOPCUAG-LBPRGKRZSA-N 1 0 373.284 4.141 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000619722886 1125669849 /nfs/dbraw/zinc/66/98/49/1125669849.db2.gz PYWJBCZYFFEFIG-WBVHZDCISA-N 1 0 354.454 4.068 20 5 FIBDRO Cc1cc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(C)s1 ZINC000182987549 1125715930 /nfs/dbraw/zinc/71/59/30/1125715930.db2.gz RLZYEDYZAICYFB-ZDUSSCGKSA-N 1 0 361.467 4.261 20 5 FIBDRO Cc1cc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(C)s1 ZINC000182987573 1125716190 /nfs/dbraw/zinc/71/61/90/1125716190.db2.gz RLZYEDYZAICYFB-CYBMUJFWSA-N 1 0 361.467 4.261 20 5 FIBDRO C[C@@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000183126126 1125755117 /nfs/dbraw/zinc/75/51/17/1125755117.db2.gz MBDRSDAYYBKHDB-CYBMUJFWSA-N 1 0 370.384 4.067 20 5 FIBDRO Cc1ccccc1C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301268899 1125759794 /nfs/dbraw/zinc/75/97/94/1125759794.db2.gz IXSBFSVXUHRCCL-UHFFFAOYSA-N 1 0 360.845 4.028 20 5 FIBDRO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000577561764 1079595684 /nfs/dbraw/zinc/59/56/84/1079595684.db2.gz BZQHHXWJTMITAW-UHFFFAOYSA-N 1 0 364.449 4.072 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CCCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000153945312 1079752199 /nfs/dbraw/zinc/75/21/99/1079752199.db2.gz JUSGUOAUPUKCTJ-CRAIPNDOSA-N 1 0 358.438 4.158 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]3c3ccncc3)o2)c1 ZINC000154036992 1079927525 /nfs/dbraw/zinc/92/75/25/1079927525.db2.gz YLRNIFWFLDCBQJ-GOSISDBHSA-N 1 0 364.405 4.024 20 5 FIBDRO CC[C@H]1CC[N@@H+]1Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000430207832 1079953833 /nfs/dbraw/zinc/95/38/33/1079953833.db2.gz RSOUBWLUJTZOSR-KRWDZBQOSA-N 1 0 356.422 4.167 20 5 FIBDRO COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000157529770 1079966280 /nfs/dbraw/zinc/96/62/80/1079966280.db2.gz ZCQPKHZGJMTYDC-SJORKVTESA-N 1 0 369.465 4.089 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1CN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000430214055 1079988185 /nfs/dbraw/zinc/98/81/85/1079988185.db2.gz DTLJXZSXXDZBTO-HNNXBMFYSA-N 1 0 354.328 4.387 20 5 FIBDRO COc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000609599070 1080382076 /nfs/dbraw/zinc/38/20/76/1080382076.db2.gz HMKGMITXXPLWLJ-QGZVFWFLSA-N 1 0 356.422 4.340 20 5 FIBDRO CCOC(=O)C(C)(C)C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000510157768 1080446471 /nfs/dbraw/zinc/44/64/71/1080446471.db2.gz ANZTVYJALIPEHM-OAHLLOKOSA-N 1 0 362.470 4.266 20 5 FIBDRO CC(C)C[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000246962160 1080653162 /nfs/dbraw/zinc/65/31/62/1080653162.db2.gz CIBVFPHXWYPYTA-CABCVRRESA-N 1 0 358.442 4.464 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)C1CC1 ZINC000247071126 1080762845 /nfs/dbraw/zinc/76/28/45/1080762845.db2.gz OIFVLJMNTWTIOL-LAUBAEHRSA-N 1 0 365.477 4.032 20 5 FIBDRO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccc1OC ZINC001167216964 1080858710 /nfs/dbraw/zinc/85/87/10/1080858710.db2.gz CJXYQBJNVDQFIE-MRXNPFEDSA-N 1 0 358.438 4.455 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001167256544 1080915954 /nfs/dbraw/zinc/91/59/54/1080915954.db2.gz ZHYDIAWHRLPRGV-RBUKOAKNSA-N 1 0 359.514 4.408 20 5 FIBDRO C[C@H](O)CC(C)(C)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610271164 1080986215 /nfs/dbraw/zinc/98/62/15/1080986215.db2.gz YWBRFEWKVHIRAZ-INIZCTEOSA-N 1 0 371.481 4.249 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCCCCC3)CC2)c2ncccc12 ZINC000610275431 1081061452 /nfs/dbraw/zinc/06/14/52/1081061452.db2.gz LOBFZVNJQLWTKQ-UHFFFAOYSA-N 1 0 368.481 4.235 20 5 FIBDRO O=[N+]([O-])c1cnc(N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c(Cl)c1 ZINC000610279223 1081134489 /nfs/dbraw/zinc/13/44/89/1081134489.db2.gz AYVXHOUAHXPHTO-KRWDZBQOSA-N 1 0 360.845 4.282 20 5 FIBDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000610001986 1081372373 /nfs/dbraw/zinc/37/23/73/1081372373.db2.gz ROEIIVKIJFVSAX-CVEARBPZSA-N 1 0 368.433 4.148 20 5 FIBDRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000579321359 1081515306 /nfs/dbraw/zinc/51/53/06/1081515306.db2.gz AAMLJGDYCFMFSC-OAHLLOKOSA-N 1 0 355.438 4.179 20 5 FIBDRO COc1cc(C[NH+]2C3CCCC2CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000610370160 1081554134 /nfs/dbraw/zinc/55/41/34/1081554134.db2.gz ZIKBODOQIZXSMF-UHFFFAOYSA-N 1 0 356.369 4.112 20 5 FIBDRO Cc1cc([C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2cccnc2)ccc1F ZINC000548066842 1081721209 /nfs/dbraw/zinc/72/12/09/1081721209.db2.gz KGYYIUSCEOQJHI-OAQYLSRUSA-N 1 0 365.408 4.359 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CCc2ccc(Cl)cc2)CC2CC2)c1 ZINC001167376300 1081812316 /nfs/dbraw/zinc/81/23/16/1081812316.db2.gz IQWCQTKDXRTBPT-HXUWFJFHSA-N 1 0 374.868 4.236 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000050273587 1081986768 /nfs/dbraw/zinc/98/67/68/1081986768.db2.gz QFBGFQCEOQNUSU-LJQANCHMSA-N 1 0 373.840 4.236 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)s1 ZINC000119191662 1082007614 /nfs/dbraw/zinc/00/76/14/1082007614.db2.gz XCULHFGZAOGFNX-ICSRJNTNSA-N 1 0 366.442 4.071 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000471602382 1082046662 /nfs/dbraw/zinc/04/66/62/1082046662.db2.gz NSCFLMZQGXWVDB-WWMYMODYSA-N 1 0 355.482 4.197 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CCCc3ccc(SC)cc32)cc1[N+](=O)[O-] ZINC000580834321 1082178679 /nfs/dbraw/zinc/17/86/79/1082178679.db2.gz NTCWBAWSCZSFHM-KRWDZBQOSA-N 1 0 358.463 4.493 20 5 FIBDRO Cc1ccc(C[N@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001167439536 1082235974 /nfs/dbraw/zinc/23/59/74/1082235974.db2.gz ZCIPTLVTAFVZHA-HXUWFJFHSA-N 1 0 360.429 4.234 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1[N+](=O)[O-] ZINC000177937957 1082352290 /nfs/dbraw/zinc/35/22/90/1082352290.db2.gz UEBCEEPWWVSXAQ-SPLOXXLWSA-N 1 0 368.433 4.476 20 5 FIBDRO Cc1c(NC(=O)[C@@H](C)SCC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000160990437 1082777769 /nfs/dbraw/zinc/77/77/69/1082777769.db2.gz AKGLJZZCODUXPZ-OAHLLOKOSA-N 1 0 367.515 4.082 20 5 FIBDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000055910980 1082926614 /nfs/dbraw/zinc/92/66/14/1082926614.db2.gz DEQDJMMAOPOAAV-IBGZPJMESA-N 1 0 354.406 4.107 20 5 FIBDRO COc1ccccc1N1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000178230672 1082992962 /nfs/dbraw/zinc/99/29/62/1082992962.db2.gz DNIGXOFBBVDAHQ-MRXNPFEDSA-N 1 0 369.465 4.231 20 5 FIBDRO COc1ccccc1N1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000178230682 1082993012 /nfs/dbraw/zinc/99/30/12/1082993012.db2.gz DNIGXOFBBVDAHQ-INIZCTEOSA-N 1 0 369.465 4.231 20 5 FIBDRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000101592857 1083021458 /nfs/dbraw/zinc/02/14/58/1083021458.db2.gz WLJKSALGDWHDAB-OAHLLOKOSA-N 1 0 370.453 4.319 20 5 FIBDRO CCC[C@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178324007 1083181518 /nfs/dbraw/zinc/18/15/18/1083181518.db2.gz KAQJTCIKWVIXDV-QRWLVFNGSA-N 1 0 365.437 4.368 20 5 FIBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1nc2ccc(Cl)cc2n1C ZINC000548394927 1083224587 /nfs/dbraw/zinc/22/45/87/1083224587.db2.gz KVJZCOPKMBLBBS-GFCCVEGCSA-N 1 0 358.829 4.028 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)cc1[N+](=O)[O-] ZINC000477852623 1083311387 /nfs/dbraw/zinc/31/13/87/1083311387.db2.gz TXTYYYKYAYWFND-XGHQBKJUSA-N 1 0 356.466 4.184 20 5 FIBDRO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000610741172 1083402182 /nfs/dbraw/zinc/40/21/82/1083402182.db2.gz SWPCKBMVUCZTTB-QWHCGFSZSA-N 1 0 364.829 4.413 20 5 FIBDRO CC[C@H]([NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000179479483 1083476807 /nfs/dbraw/zinc/47/68/07/1083476807.db2.gz FLHGELKCJGSYKK-KDOFPFPSSA-N 1 0 366.421 4.489 20 5 FIBDRO C[N@H+](CCCCc1ccccc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000053085916 1083664022 /nfs/dbraw/zinc/66/40/22/1083664022.db2.gz BIFKDEPGYGUMBC-UHFFFAOYSA-N 1 0 366.421 4.100 20 5 FIBDRO CCCO[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000364529491 1083665283 /nfs/dbraw/zinc/66/52/83/1083665283.db2.gz PKLPVYJSMZWINS-GOSISDBHSA-N 1 0 373.453 4.073 20 5 FIBDRO CC(C)[NH2+]C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000179832527 1083678403 /nfs/dbraw/zinc/67/84/03/1083678403.db2.gz OXWFGICKNPCVIC-UHFFFAOYSA-N 1 0 359.495 4.286 20 5 FIBDRO Cc1noc(C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c2ccccc2)n1 ZINC000277000618 1083705177 /nfs/dbraw/zinc/70/51/77/1083705177.db2.gz AGXOWVNYRJBGIC-RDTXWAMCSA-N 1 0 366.421 4.229 20 5 FIBDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610804783 1083711151 /nfs/dbraw/zinc/71/11/51/1083711151.db2.gz GLMZOXUWKDJHOK-CABCVRRESA-N 1 0 359.857 4.425 20 5 FIBDRO CC[C@@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610828241 1083744921 /nfs/dbraw/zinc/74/49/21/1083744921.db2.gz PLBITZWCAYJNTK-WOJBJXKFSA-N 1 0 364.449 4.353 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@H](Cc2nccn2C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000610828044 1083745722 /nfs/dbraw/zinc/74/57/22/1083745722.db2.gz HVFSEWCBCGVQBS-QFBILLFUSA-N 1 0 364.449 4.271 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](Cn2cccn2)c2ccccc2)cc1[N+](=O)[O-] ZINC000610821891 1083748960 /nfs/dbraw/zinc/74/89/60/1083748960.db2.gz MJWVHJUBGJYZDN-VQIMIIECSA-N 1 0 350.422 4.192 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3cc(OC)ccc3C2)cc1[N+](=O)[O-] ZINC000612419803 1083786913 /nfs/dbraw/zinc/78/69/13/1083786913.db2.gz UMGMUDNJOOJFIZ-KSSFIOAISA-N 1 0 370.449 4.210 20 5 FIBDRO Cc1ccc(C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1 ZINC000612432404 1083791239 /nfs/dbraw/zinc/79/12/39/1083791239.db2.gz QBBSPNFDMIMUBD-QFIPXVFZSA-N 1 0 361.445 4.414 20 5 FIBDRO CSc1ccccc1NC(=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000411758007 1083874547 /nfs/dbraw/zinc/87/45/47/1083874547.db2.gz MPWBPMQNMVHXDE-UHFFFAOYSA-N 1 0 373.478 4.170 20 5 FIBDRO Cc1nc2c(s1)[C@@H]([NH2+]CCc1c[nH]c3ccc([N+](=O)[O-])cc13)CCC2 ZINC000584492988 1083959647 /nfs/dbraw/zinc/95/96/47/1083959647.db2.gz BAQOKXTUQZNMOH-INIZCTEOSA-N 1 0 356.451 4.051 20 5 FIBDRO C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000538177046 1084014463 /nfs/dbraw/zinc/01/44/63/1084014463.db2.gz ZLSNIJZDZKGAGC-INIZCTEOSA-N 1 0 369.465 4.073 20 5 FIBDRO COc1ccccc1[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)OC(C)C ZINC000472050471 1084178532 /nfs/dbraw/zinc/17/85/32/1084178532.db2.gz ZFEXACSUXXFJLN-FQEVSTJZSA-N 1 0 358.438 4.168 20 5 FIBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCO1 ZINC000538775156 1084195930 /nfs/dbraw/zinc/19/59/30/1084195930.db2.gz OKBNXGLDPKKWGR-CJNGLKHVSA-N 1 0 360.385 4.183 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)c2ccsc2)s1 ZINC000472073461 1084240690 /nfs/dbraw/zinc/24/06/90/1084240690.db2.gz KGBFDXTUSYFHKQ-OAHLLOKOSA-N 1 0 360.460 4.208 20 5 FIBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1C(F)(F)F ZINC000065532982 1084251929 /nfs/dbraw/zinc/25/19/29/1084251929.db2.gz AROHEJUIVKFMHD-UHFFFAOYSA-N 1 0 354.328 4.124 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cccc1[N+](=O)[O-] ZINC000177754019 1084284659 /nfs/dbraw/zinc/28/46/59/1084284659.db2.gz VLWVXFQKQZRTBJ-GJZGRUSLSA-N 1 0 369.421 4.272 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] ZINC000156992994 1084286683 /nfs/dbraw/zinc/28/66/83/1084286683.db2.gz DBBAPJAPLWEVIM-LSDHHAIUSA-N 1 0 369.421 4.272 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000157012428 1084293072 /nfs/dbraw/zinc/29/30/72/1084293072.db2.gz QIMONNMWIHAENL-LSDHHAIUSA-N 1 0 369.421 4.272 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)cccc1[N+](=O)[O-] ZINC000157014412 1084294886 /nfs/dbraw/zinc/29/48/86/1084294886.db2.gz DNVSZFPAUKDRPM-CABCVRRESA-N 1 0 369.421 4.272 20 5 FIBDRO COc1ccccc1OC[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539061160 1084299542 /nfs/dbraw/zinc/29/95/42/1084299542.db2.gz WNHUJRDQGAGDJF-HOCLYGCPSA-N 1 0 358.438 4.278 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000539069761 1084305497 /nfs/dbraw/zinc/30/54/97/1084305497.db2.gz WORBNBUZQWADFW-SUMWQHHRSA-N 1 0 373.840 4.013 20 5 FIBDRO C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000158088440 1084307326 /nfs/dbraw/zinc/30/73/26/1084307326.db2.gz DFWJGULRFSTYIG-LSDHHAIUSA-N 1 0 359.495 4.316 20 5 FIBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@@H]1CCCOC1 ZINC000119701520 1084358069 /nfs/dbraw/zinc/35/80/69/1084358069.db2.gz ZDLWJEFFFDHUNI-ZDUSSCGKSA-N 1 0 364.829 4.367 20 5 FIBDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc(OC)c1OC ZINC000157441704 1084383578 /nfs/dbraw/zinc/38/35/78/1084383578.db2.gz WWSRSCXMBKGBRR-ZIAGYGMSSA-N 1 0 374.437 4.341 20 5 FIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc2ccc(Cl)cc2n1C ZINC000180094595 1084389718 /nfs/dbraw/zinc/38/97/18/1084389718.db2.gz JJWWXBRGIUCTAE-GFCCVEGCSA-N 1 0 358.829 4.028 20 5 FIBDRO COc1cc(C[NH2+]C(C)(C)CF)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000472145735 1084536938 /nfs/dbraw/zinc/53/69/38/1084536938.db2.gz LHQWRZNMZGXTDV-UHFFFAOYSA-N 1 0 362.401 4.020 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551737502 1084707943 /nfs/dbraw/zinc/70/79/43/1084707943.db2.gz KCQVFWYXXQAPRD-AWEZNQCLSA-N 1 0 361.392 4.146 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3c4ccccc4C[C@@H]3O)s2)cc1 ZINC000085334326 1084796009 /nfs/dbraw/zinc/79/60/09/1084796009.db2.gz DASOAKDYFZRWCR-AZUAARDMSA-N 1 0 366.442 4.071 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(N2CCCC2)n1 ZINC000611590751 1084915195 /nfs/dbraw/zinc/91/51/95/1084915195.db2.gz BXKXANJKQGGBAK-INIZCTEOSA-N 1 0 354.454 4.058 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000414298573 1084993788 /nfs/dbraw/zinc/99/37/88/1084993788.db2.gz JCFRTUCBDHHQRS-KZNAEPCWSA-N 1 0 356.470 4.222 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000175910844 1085031807 /nfs/dbraw/zinc/03/18/07/1085031807.db2.gz GGJXWJLSDJASDK-FUHIMQAGSA-N 1 0 353.466 4.299 20 5 FIBDRO CC(C)(C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000414331585 1085074529 /nfs/dbraw/zinc/07/45/29/1085074529.db2.gz KIHHXPRMDZEZCV-LPHOPBHVSA-N 1 0 353.466 4.268 20 5 FIBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1[N+](=O)[O-] ZINC000127816282 1085114004 /nfs/dbraw/zinc/11/40/04/1085114004.db2.gz KHEPOCTVIYYOGE-MRXNPFEDSA-N 1 0 351.406 4.424 20 5 FIBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1OC ZINC000582564217 1085149509 /nfs/dbraw/zinc/14/95/09/1085149509.db2.gz NWTNCBNMWPSWNU-GFCCVEGCSA-N 1 0 364.829 4.425 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c2ccccc2n1 ZINC000124905921 1085199316 /nfs/dbraw/zinc/19/93/16/1085199316.db2.gz JFCATXIDTSTHJD-CQSZACIVSA-N 1 0 351.406 4.311 20 5 FIBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000479611892 1085231029 /nfs/dbraw/zinc/23/10/29/1085231029.db2.gz ABPIOEWMTSDMCN-ZBFHGGJFSA-N 1 0 374.441 4.056 20 5 FIBDRO C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000181757990 1085396328 /nfs/dbraw/zinc/39/63/28/1085396328.db2.gz QBBHVBLKUANREM-NSHDSACASA-N 1 0 373.796 4.284 20 5 FIBDRO CCC(=O)c1ccc(N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000480080051 1085412267 /nfs/dbraw/zinc/41/22/67/1085412267.db2.gz FWOPIMWLZYSZQU-PXNSSMCTSA-N 1 0 353.422 4.045 20 5 FIBDRO COc1cccc([C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)N2CCCC2)c1 ZINC000480082219 1085412400 /nfs/dbraw/zinc/41/24/00/1085412400.db2.gz FHYFFZXDRYIAMO-IERDGZPVSA-N 1 0 369.465 4.091 20 5 FIBDRO CCC(=O)c1ccc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000480080049 1085412891 /nfs/dbraw/zinc/41/28/91/1085412891.db2.gz FWOPIMWLZYSZQU-FXAWDEMLSA-N 1 0 353.422 4.045 20 5 FIBDRO CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@@H]1c1ccccc1 ZINC001167601539 1085422791 /nfs/dbraw/zinc/42/27/91/1085422791.db2.gz DHHDGDUOQIJPIH-QAPCUYQASA-N 1 0 364.449 4.487 20 5 FIBDRO CCC(=O)c1ccc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000480112557 1085424874 /nfs/dbraw/zinc/42/48/74/1085424874.db2.gz UKPCNIBPDADFRY-GDBMZVCRSA-N 1 0 359.470 4.252 20 5 FIBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c1 ZINC000176737512 1085439977 /nfs/dbraw/zinc/43/99/77/1085439977.db2.gz LKDZTWMMPFGUIG-UHFFFAOYSA-N 1 0 359.401 4.136 20 5 FIBDRO CCCCOc1ccc([C@@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])cc1OC ZINC000549535646 1085460741 /nfs/dbraw/zinc/46/07/41/1085460741.db2.gz ISEPGYCELQVOPD-CQSZACIVSA-N 1 0 374.437 4.339 20 5 FIBDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178646135 1085557425 /nfs/dbraw/zinc/55/74/25/1085557425.db2.gz GYCQDQUIVBDVAQ-LSDHHAIUSA-N 1 0 355.438 4.430 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)c1ccc(OC(C)C)cc1 ZINC000125457840 1085572655 /nfs/dbraw/zinc/57/26/55/1085572655.db2.gz QZAVOVUEFVYZGZ-QRWLVFNGSA-N 1 0 358.438 4.075 20 5 FIBDRO Cc1ccc([C@@H](C)[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000109103710 1085588808 /nfs/dbraw/zinc/58/88/08/1085588808.db2.gz YPRAGBWHRAJQJX-MRXNPFEDSA-N 1 0 355.438 4.233 20 5 FIBDRO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178654939 1085679296 /nfs/dbraw/zinc/67/92/96/1085679296.db2.gz AUWHDDGCRKYSTL-OAIAAZCPSA-N 1 0 365.477 4.441 20 5 FIBDRO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178679389 1085770116 /nfs/dbraw/zinc/77/01/16/1085770116.db2.gz CUMUTUXIZXYRAG-HOTGVXAUSA-N 1 0 355.438 4.198 20 5 FIBDRO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178682242 1085780546 /nfs/dbraw/zinc/78/05/46/1085780546.db2.gz PYRHHUNVWPSLKV-UONOGXRCSA-N 1 0 359.401 4.029 20 5 FIBDRO COc1ccc2c(c1)CC[C@@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C2 ZINC000612419737 1085855247 /nfs/dbraw/zinc/85/52/47/1085855247.db2.gz KHOAFYWPQXYTPP-DNVCBOLYSA-N 1 0 354.450 4.072 20 5 FIBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1c1ccccc1 ZINC000582878290 1085869625 /nfs/dbraw/zinc/86/96/25/1085869625.db2.gz OTKHWMIMVJSMJG-OXQOHEQNSA-N 1 0 367.449 4.049 20 5 FIBDRO CCCCO[C@H]1C[C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000572886564 1085898016 /nfs/dbraw/zinc/89/80/16/1085898016.db2.gz UJUFAEDDCSPJEV-ROUUACIJSA-N 1 0 373.453 4.323 20 5 FIBDRO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000572886563 1085898248 /nfs/dbraw/zinc/89/82/48/1085898248.db2.gz UJUFAEDDCSPJEV-QZTJIDSGSA-N 1 0 373.453 4.323 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)c2c(c1)COCO2 ZINC000052106016 1086206106 /nfs/dbraw/zinc/20/61/06/1086206106.db2.gz VOTVCVUJSFQRSS-IBGZPJMESA-N 1 0 368.433 4.059 20 5 FIBDRO Cc1ncsc1C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000105494293 1086560683 /nfs/dbraw/zinc/56/06/83/1086560683.db2.gz ZRRPFMUHXANZBP-UHFFFAOYSA-N 1 0 368.462 4.417 20 5 FIBDRO CC1CC[NH+](C[C@H]2CCCN(c3ccnc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000432333490 1086621360 /nfs/dbraw/zinc/62/13/60/1086621360.db2.gz BELBZYZZWCUCRU-QGZVFWFLSA-N 1 0 368.481 4.091 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2cnn(C[NH+]3CCC(c4ccccc4)CC3)c2)cc1 ZINC000728897169 1086873426 /nfs/dbraw/zinc/87/34/26/1086873426.db2.gz KOWLAIWXLOJFSG-UHFFFAOYSA-N 1 0 362.433 4.295 20 5 FIBDRO Cc1ccc(-c2noc(-c3ccc(C[NH+]4CCCC4)cc3)n2)cc1[N+](=O)[O-] ZINC000573014970 1087079482 /nfs/dbraw/zinc/07/94/82/1087079482.db2.gz IYUVVSSUVZCIKU-UHFFFAOYSA-N 1 0 364.405 4.216 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H](CC(F)(F)F)C3)o2)c1 ZINC000278564200 1087098502 /nfs/dbraw/zinc/09/85/02/1087098502.db2.gz BQGIICUCDMDCCN-GFCCVEGCSA-N 1 0 369.343 4.067 20 5 FIBDRO CCOc1cc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000092687358 1087444784 /nfs/dbraw/zinc/44/47/84/1087444784.db2.gz FXCRTMSZKSPNTM-OAHLLOKOSA-N 1 0 370.453 4.026 20 5 FIBDRO C[C@@H](c1ccccc1Cl)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000409854750 1087611473 /nfs/dbraw/zinc/61/14/73/1087611473.db2.gz KTHWVXZRDOYRFC-ZDUSSCGKSA-N 1 0 361.829 4.270 20 5 FIBDRO COc1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000102420914 1087697786 /nfs/dbraw/zinc/69/77/86/1087697786.db2.gz GGHVIAKHDVOKBX-UHFFFAOYSA-N 1 0 355.419 4.017 20 5 FIBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1occc1C ZINC000412028769 1087961894 /nfs/dbraw/zinc/96/18/94/1087961894.db2.gz SOLIUVLTQPPORU-UHFFFAOYSA-N 1 0 355.394 4.216 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)Oc2ccccc2F)cc1[N+](=O)[O-] ZINC000504899547 1087970131 /nfs/dbraw/zinc/97/01/31/1087970131.db2.gz IMLKTCHRBHMMSL-KBPBESRZSA-N 1 0 362.401 4.251 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(-n3ccnc3)c2)cc1[N+](=O)[O-] ZINC000504922225 1087974964 /nfs/dbraw/zinc/97/49/64/1087974964.db2.gz ZKEJZRNNIGDTPU-HNNXBMFYSA-N 1 0 366.421 4.030 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(COC)cc1 ZINC000504906169 1087977453 /nfs/dbraw/zinc/97/74/53/1087977453.db2.gz UMAFSSWAENSWLS-QGZVFWFLSA-N 1 0 360.479 4.402 20 5 FIBDRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000414365590 1087995433 /nfs/dbraw/zinc/99/54/33/1087995433.db2.gz OWIVXGABPIELQS-UHFFFAOYSA-N 1 0 368.412 4.253 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2noc([C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000504969837 1088015992 /nfs/dbraw/zinc/01/59/92/1088015992.db2.gz SKIBHDPTFZUNGD-KRWDZBQOSA-N 1 0 364.405 4.024 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H](CO)c2ccccc2)c2ccccc2)c1 ZINC000180719784 1088043157 /nfs/dbraw/zinc/04/31/57/1088043157.db2.gz JRWGDADDOVTGLE-UNMCSNQZSA-N 1 0 362.429 4.050 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H](CO)c2ccccc2)c2ccccc2)c1 ZINC000180719804 1088044558 /nfs/dbraw/zinc/04/45/58/1088044558.db2.gz JRWGDADDOVTGLE-IRLDBZIGSA-N 1 0 362.429 4.050 20 5 FIBDRO COCCC1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000180772201 1088074204 /nfs/dbraw/zinc/07/42/04/1088074204.db2.gz SMSUCYNYKRFGPB-FQEVSTJZSA-N 1 0 354.450 4.481 20 5 FIBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000180903755 1088159535 /nfs/dbraw/zinc/15/95/35/1088159535.db2.gz MKHVQGLTQBUUIU-BTYIYWSLSA-N 1 0 363.417 4.041 20 5 FIBDRO Cc1cccc([C@@H](C)[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000452090266 1088211902 /nfs/dbraw/zinc/21/19/02/1088211902.db2.gz QMIOLMXXVXNQOR-OAHLLOKOSA-N 1 0 351.406 4.452 20 5 FIBDRO CCOCCC1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180994369 1088213800 /nfs/dbraw/zinc/21/38/00/1088213800.db2.gz FIHOQNCDBADFLO-HXUWFJFHSA-N 1 0 354.450 4.481 20 5 FIBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000181315434 1088302835 /nfs/dbraw/zinc/30/28/35/1088302835.db2.gz ICYJZUWTSABGFS-GHMZBOCLSA-N 1 0 370.375 4.382 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H](CCO)c1ccccc1 ZINC000513828139 1088427177 /nfs/dbraw/zinc/42/71/77/1088427177.db2.gz DGOQWOPKCNAETA-YSIASYRMSA-N 1 0 354.450 4.019 20 5 FIBDRO CSCc1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000189485089 1088484110 /nfs/dbraw/zinc/48/41/10/1088484110.db2.gz AOGFXCYRQXWERZ-UHFFFAOYSA-N 1 0 368.405 4.349 20 5 FIBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189496159 1088486299 /nfs/dbraw/zinc/48/62/99/1088486299.db2.gz XGIVWKKVJKMGCZ-IRXDYDNUSA-N 1 0 361.467 4.404 20 5 FIBDRO CC(C)c1ccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000189631367 1088556780 /nfs/dbraw/zinc/55/67/80/1088556780.db2.gz CULQMDYOFVAFOA-PBHICJAKSA-N 1 0 374.403 4.291 20 5 FIBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H](C)O1 ZINC000414512536 1088805083 /nfs/dbraw/zinc/80/50/83/1088805083.db2.gz IUBCZPKNIHHLIJ-JHJVBQTASA-N 1 0 364.829 4.411 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000414550357 1088822533 /nfs/dbraw/zinc/82/25/33/1088822533.db2.gz IUDPPKPYWQUGPR-HXUWFJFHSA-N 1 0 352.434 4.257 20 5 FIBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000434901352 1089118231 /nfs/dbraw/zinc/11/82/31/1089118231.db2.gz VDGKKKVSTCGSAF-FUHWJXTLSA-N 1 0 367.449 4.110 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000435054678 1089243723 /nfs/dbraw/zinc/24/37/23/1089243723.db2.gz FAZBZEOHYQBJSN-FNORWQNLSA-N 1 0 366.465 4.020 20 5 FIBDRO CC(C)(CCC[NH3+])NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415195866 1089265597 /nfs/dbraw/zinc/26/55/97/1089265597.db2.gz PZUHIGFEYMZEMW-UHFFFAOYSA-N 1 0 372.425 4.026 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOC[C@H](C4CCC4)C3)o2)cc1 ZINC000430126357 1089366237 /nfs/dbraw/zinc/36/62/37/1089366237.db2.gz NZRGYIBHBLHYAK-QGZVFWFLSA-N 1 0 356.422 4.103 20 5 FIBDRO Cc1noc(C[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c2ccccc2)n1 ZINC000517476590 1089597251 /nfs/dbraw/zinc/59/72/51/1089597251.db2.gz JXAGLGYNUFWCKN-LIRRHRJNSA-N 1 0 366.421 4.229 20 5 FIBDRO CC(C)[C@@H](O)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236777155 1089615108 /nfs/dbraw/zinc/61/51/08/1089615108.db2.gz ZPRMQESPSFBCDJ-INIZCTEOSA-N 1 0 364.829 4.147 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000517542041 1089757575 /nfs/dbraw/zinc/75/75/75/1089757575.db2.gz KMBUCMHOYWRCMI-IBGZPJMESA-N 1 0 353.466 4.082 20 5 FIBDRO Cn1cc(C(C)(C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000545996030 1089786272 /nfs/dbraw/zinc/78/62/72/1089786272.db2.gz CXQRXBYSXYADSK-UHFFFAOYSA-N 1 0 356.451 4.082 20 5 FIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000101594910 1089805392 /nfs/dbraw/zinc/80/53/92/1089805392.db2.gz XXROPVQLRUJYDL-LBPRGKRZSA-N 1 0 354.328 4.387 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](c2ccccc2)C2CCC2)c2c(c1)COCO2 ZINC000104701091 1090310148 /nfs/dbraw/zinc/31/01/48/1090310148.db2.gz YCFLMEAYPVGNGW-LJQANCHMSA-N 1 0 354.406 4.092 20 5 FIBDRO CCN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000110265483 1090369622 /nfs/dbraw/zinc/36/96/22/1090369622.db2.gz DUOCUOHNQXIJPK-MAUKXSAKSA-N 1 0 359.495 4.314 20 5 FIBDRO CCCCn1cc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c(C)n1 ZINC000417303302 1090793297 /nfs/dbraw/zinc/79/32/97/1090793297.db2.gz AGFRTEKXKUPFSL-HXUWFJFHSA-N 1 0 356.470 4.457 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1c[nH]c3ncccc13)CCCC2 ZINC000417311357 1090804509 /nfs/dbraw/zinc/80/45/09/1090804509.db2.gz OOAMYVXFEUBMFC-LJQANCHMSA-N 1 0 350.422 4.071 20 5 FIBDRO O=C(CC[N@H+](C1CC1)[C@@H]1CCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000500138434 1091064941 /nfs/dbraw/zinc/06/49/41/1091064941.db2.gz LNVZKKNBGIWVSN-LJQANCHMSA-N 1 0 365.433 4.075 20 5 FIBDRO CC(=O)c1ccc(N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000053580486 1091205793 /nfs/dbraw/zinc/20/57/93/1091205793.db2.gz XVYFNEZWRCHHDQ-KDOFPFPSSA-N 1 0 353.422 4.045 20 5 FIBDRO CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000053644349 1091282291 /nfs/dbraw/zinc/28/22/91/1091282291.db2.gz BYUATSSANRKADT-SFHVURJKSA-N 1 0 359.401 4.049 20 5 FIBDRO CCSCCC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000500371765 1091379422 /nfs/dbraw/zinc/37/94/22/1091379422.db2.gz MMFYUWVETRLGPF-UHFFFAOYSA-N 1 0 350.440 4.096 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2CCC(F)(F)CC2)c1 ZINC000500431149 1091590678 /nfs/dbraw/zinc/59/06/78/1091590678.db2.gz TVTXCIZPMHSIDW-UHFFFAOYSA-N 1 0 350.312 4.111 20 5 FIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000466932811 1091694669 /nfs/dbraw/zinc/69/46/69/1091694669.db2.gz CZJVDCOARCYUCD-ZDUSSCGKSA-N 1 0 358.442 4.464 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000107657819 1091785695 /nfs/dbraw/zinc/78/56/95/1091785695.db2.gz URCZDPZBQYBLHH-WCQYABFASA-N 1 0 363.767 4.306 20 5 FIBDRO CC(C)([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Cl)cc1 ZINC000067011199 1091884244 /nfs/dbraw/zinc/88/42/44/1091884244.db2.gz WTMMTZXWTVEYKF-UHFFFAOYSA-N 1 0 362.813 4.140 20 5 FIBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CC=CCC3)C2)cccc1[N+](=O)[O-] ZINC000512213600 1091918287 /nfs/dbraw/zinc/91/82/87/1091918287.db2.gz ODHCDCKRBCFTSI-OXQOHEQNSA-N 1 0 357.454 4.053 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cs1 ZINC000107898981 1091973618 /nfs/dbraw/zinc/97/36/18/1091973618.db2.gz MVJMNCAQQATEFJ-UHFFFAOYSA-N 1 0 352.843 4.105 20 5 FIBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000432792600 1092383168 /nfs/dbraw/zinc/38/31/68/1092383168.db2.gz LMVLNLHUSWMQAB-HNNXBMFYSA-N 1 0 359.495 4.239 20 5 FIBDRO COC1(C)CC[NH+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000500792674 1092587067 /nfs/dbraw/zinc/58/70/67/1092587067.db2.gz MPXUPXHVFYNEOF-UHFFFAOYSA-N 1 0 369.465 4.364 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000549717971 1092716079 /nfs/dbraw/zinc/71/60/79/1092716079.db2.gz NTQQDGPBZMTLSW-HZPDHXFCSA-N 1 0 370.371 4.147 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCCOc4ccccc43)c2c1 ZINC000521938596 1092988192 /nfs/dbraw/zinc/98/81/92/1092988192.db2.gz JUNXXZVWHJBDJZ-SFHVURJKSA-N 1 0 351.406 4.122 20 5 FIBDRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000474048285 1093142210 /nfs/dbraw/zinc/14/22/10/1093142210.db2.gz YPQFMKSVWSCKKX-SFHVURJKSA-N 1 0 356.422 4.124 20 5 FIBDRO CCN(CC)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000544353642 1093169894 /nfs/dbraw/zinc/16/98/94/1093169894.db2.gz KJAPWMRVUXYNCG-INIZCTEOSA-N 1 0 351.834 4.014 20 5 FIBDRO O=C(CN1CCC[C@H](c2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000433075930 1093204971 /nfs/dbraw/zinc/20/49/71/1093204971.db2.gz IKEWLDUZVMIIIL-HNNXBMFYSA-N 1 0 373.840 4.066 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCN(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000433090556 1093233743 /nfs/dbraw/zinc/23/37/43/1093233743.db2.gz IOZOESRRAKKGME-ZWKOTPCHSA-N 1 0 353.466 4.470 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000433096365 1093235370 /nfs/dbraw/zinc/23/53/70/1093235370.db2.gz DNEMZQQTGFWCGP-QZTJIDSGSA-N 1 0 353.466 4.470 20 5 FIBDRO Cc1ccc2c(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)ccc(O)c2n1 ZINC000429687192 1093299208 /nfs/dbraw/zinc/29/92/08/1093299208.db2.gz RIVNIDSYDNZMID-CQSZACIVSA-N 1 0 351.406 4.316 20 5 FIBDRO CC1(C)C[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433133942 1093314803 /nfs/dbraw/zinc/31/48/03/1093314803.db2.gz FMOSYJPVNDZLOG-FQEVSTJZSA-N 1 0 362.433 4.293 20 5 FIBDRO CC1(C)C[C@H](NCc2cn3cc(Cl)ccc3n2)c2cc([N+](=O)[O-])ccc21 ZINC000433150539 1093332044 /nfs/dbraw/zinc/33/20/44/1093332044.db2.gz LUCUINMXAHDBKA-KRWDZBQOSA-N 1 0 370.840 4.408 20 5 FIBDRO CC(C)Oc1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000433149660 1093335706 /nfs/dbraw/zinc/33/57/06/1093335706.db2.gz DRLARCPNEDHSTJ-GOSISDBHSA-N 1 0 355.438 4.289 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c(OC)c1 ZINC000433158739 1093345108 /nfs/dbraw/zinc/34/51/08/1093345108.db2.gz QDPOPQGFNNIPIL-SFHVURJKSA-N 1 0 356.422 4.124 20 5 FIBDRO CN(C)[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000433170076 1093361283 /nfs/dbraw/zinc/36/12/83/1093361283.db2.gz ZTRWHLZLNGQMMW-DLBZAZTESA-N 1 0 359.495 4.271 20 5 FIBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCO2 ZINC000433173449 1093372466 /nfs/dbraw/zinc/37/24/66/1093372466.db2.gz KEIKCDOLSRLFPG-SJKOYZFVSA-N 1 0 354.406 4.397 20 5 FIBDRO C[NH+](C)CCOc1cccc(N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433215422 1093435230 /nfs/dbraw/zinc/43/52/30/1093435230.db2.gz YHGCIPFBTREHLC-FQEVSTJZSA-N 1 0 369.465 4.370 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000549888087 1093498164 /nfs/dbraw/zinc/49/81/64/1093498164.db2.gz WFFXZWAEDYCQPX-AWEZNQCLSA-N 1 0 354.385 4.079 20 5 FIBDRO CC1(C)C[C@@H]([NH2+][C@H](CCCO)c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433277857 1093519915 /nfs/dbraw/zinc/51/99/15/1093519915.db2.gz BJMQIHGSDPAPEY-WOJBJXKFSA-N 1 0 354.450 4.421 20 5 FIBDRO CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000474173357 1093552789 /nfs/dbraw/zinc/55/27/89/1093552789.db2.gz UCGYAXDLNRGLDT-DOTOQJQBSA-N 1 0 373.497 4.101 20 5 FIBDRO Cn1cc(C[NH2+]Cc2ccc(C(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185186752 1093610080 /nfs/dbraw/zinc/61/00/80/1093610080.db2.gz ZMKORJHIJYICRW-UHFFFAOYSA-N 1 0 372.375 4.223 20 5 FIBDRO CCC[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000414240934 1093771685 /nfs/dbraw/zinc/77/16/85/1093771685.db2.gz FEZJHAWWCXSVAA-PWIZWCRZSA-N 1 0 372.469 4.020 20 5 FIBDRO CC(=O)c1ccc(NCc2ccccc2C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000052243835 1093777052 /nfs/dbraw/zinc/77/70/52/1093777052.db2.gz NCJOROUGVPZFMM-UHFFFAOYSA-N 1 0 355.438 4.250 20 5 FIBDRO CCc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)[NH+](C)C)cc1 ZINC000015129056 1093872204 /nfs/dbraw/zinc/87/22/04/1093872204.db2.gz VKYLELAGOWRGHM-OAQYLSRUSA-N 1 0 364.449 4.420 20 5 FIBDRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000151055254 1093887491 /nfs/dbraw/zinc/88/74/91/1093887491.db2.gz XLJOKBXHTOMSKN-MRXNPFEDSA-N 1 0 350.422 4.248 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473512387 1093905567 /nfs/dbraw/zinc/90/55/67/1093905567.db2.gz HSSHTZPEROQQEL-IRXDYDNUSA-N 1 0 368.481 4.234 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000178869467 1093972693 /nfs/dbraw/zinc/97/26/93/1093972693.db2.gz MVFVXXIWXZYKRT-LEWJYISDSA-N 1 0 366.392 4.147 20 5 FIBDRO Cc1ccc(C[NH2+]CCOc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000513250142 1094029067 /nfs/dbraw/zinc/02/90/67/1094029067.db2.gz GSQMODMQDCQSEZ-UHFFFAOYSA-N 1 0 354.328 4.091 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000513440872 1094127494 /nfs/dbraw/zinc/12/74/94/1094127494.db2.gz YLELTWYYFXKICZ-ZVVFDCPKSA-N 1 0 352.390 4.174 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@H]3CC[C@H](O)CC3)cc2[N+](=O)[O-])cc1 ZINC000513546762 1094206738 /nfs/dbraw/zinc/20/67/38/1094206738.db2.gz ZVLXLEGVBVSTRC-QAQDUYKDSA-N 1 0 372.490 4.448 20 5 FIBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[N@@H+]1CCc2sccc2C1 ZINC000025500280 1094326923 /nfs/dbraw/zinc/32/69/23/1094326923.db2.gz ODMIYKOQASMKFE-CYBMUJFWSA-N 1 0 368.462 4.063 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000519557626 1094505244 /nfs/dbraw/zinc/50/52/44/1094505244.db2.gz RRPQQMHVEZWRDA-MRXNPFEDSA-N 1 0 372.440 4.485 20 5 FIBDRO CC(C)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2cccnc21 ZINC000127045695 1095410155 /nfs/dbraw/zinc/41/01/55/1095410155.db2.gz TUDFZYNYGFAYMT-WOJBJXKFSA-N 1 0 369.465 4.059 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+][C@H](c2ccc(F)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000502483281 1095514271 /nfs/dbraw/zinc/51/42/71/1095514271.db2.gz IBDDOPPXAFRUOH-FQEVSTJZSA-N 1 0 373.428 4.358 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000544374274 1095609624 /nfs/dbraw/zinc/60/96/24/1095609624.db2.gz FUQRHKQAJMFVQU-OWCLPIDISA-N 1 0 352.500 4.260 20 5 FIBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000444243278 1095902952 /nfs/dbraw/zinc/90/29/52/1095902952.db2.gz PSESOXOIVAKFOO-GOSISDBHSA-N 1 0 369.465 4.103 20 5 FIBDRO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502938419 1095981215 /nfs/dbraw/zinc/98/12/15/1095981215.db2.gz HQAQPSPWOFFEIT-INIZCTEOSA-N 1 0 355.438 4.224 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2c1cccc2O ZINC000513791628 1096457462 /nfs/dbraw/zinc/45/74/62/1096457462.db2.gz RTKPQBQQQFSAAK-KYNGSXCRSA-N 1 0 352.434 4.289 20 5 FIBDRO CC1(C)C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2cc(N)ccc2O1 ZINC000423445427 1096677914 /nfs/dbraw/zinc/67/79/14/1096677914.db2.gz SCRMIOQPTNIZMP-OALUTQOASA-N 1 0 367.449 4.446 20 5 FIBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000425459350 1098713000 /nfs/dbraw/zinc/71/30/00/1098713000.db2.gz PDMZUKKCSRWGNC-UHFFFAOYSA-N 1 0 363.202 4.367 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000533243389 1098909682 /nfs/dbraw/zinc/90/96/82/1098909682.db2.gz CFEHUGCNKXSSKK-FQEVSTJZSA-N 1 0 367.449 4.377 20 5 FIBDRO CCN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000505790632 1098913653 /nfs/dbraw/zinc/91/36/53/1098913653.db2.gz ODYPRGROIRYNKV-FUHWJXTLSA-N 1 0 371.456 4.391 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)n1 ZINC000436302441 1098915412 /nfs/dbraw/zinc/91/54/12/1098915412.db2.gz UTQMJIZIFMRDMH-LEUOFYLZSA-N 1 0 374.872 4.464 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H]3c3ccccn3)o2)c1 ZINC000533347899 1098968662 /nfs/dbraw/zinc/96/86/62/1098968662.db2.gz IINWOOPQDWQISO-SFHVURJKSA-N 1 0 364.405 4.024 20 5 FIBDRO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000533387670 1099017406 /nfs/dbraw/zinc/01/74/06/1099017406.db2.gz KNSOLTPVZHAWNU-HXUWFJFHSA-N 1 0 364.449 4.251 20 5 FIBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425556539 1099031802 /nfs/dbraw/zinc/03/18/02/1099031802.db2.gz UPPBKSLAGCSYFB-KRWDZBQOSA-N 1 0 350.846 4.029 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000505852636 1099142708 /nfs/dbraw/zinc/14/27/08/1099142708.db2.gz YIAYSMXDHAXTBO-MENFKHAKSA-N 1 0 365.433 4.020 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)C1CC1 ZINC000152499691 1099570817 /nfs/dbraw/zinc/57/08/17/1099570817.db2.gz OIFVLJMNTWTIOL-UTKZUKDTSA-N 1 0 365.477 4.032 20 5 FIBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C1 ZINC000536658448 1100113540 /nfs/dbraw/zinc/11/35/40/1100113540.db2.gz AFJUUUKJYSLQQI-HNAYVOBHSA-N 1 0 357.454 4.017 20 5 FIBDRO COc1cc(C[N@H+](C)C2CCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000536677596 1100169080 /nfs/dbraw/zinc/16/90/80/1100169080.db2.gz BLPPSMIHKGWJHT-UHFFFAOYSA-N 1 0 356.422 4.167 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)s1 ZINC000536692324 1100188765 /nfs/dbraw/zinc/18/87/65/1100188765.db2.gz DMESMSODKKHNIO-GJZGRUSLSA-N 1 0 358.463 4.182 20 5 FIBDRO CCOc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1O ZINC000459471591 1100225335 /nfs/dbraw/zinc/22/53/35/1100225335.db2.gz BCYUCIZRKPVRIW-UHFFFAOYSA-N 1 0 364.829 4.377 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)c1c(C)noc1C ZINC000536832020 1100343443 /nfs/dbraw/zinc/34/34/43/1100343443.db2.gz KHPPMLULOYDMAK-WFASDCNBSA-N 1 0 363.483 4.464 20 5 FIBDRO COc1ccc(OC)c(CCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000536831038 1100367542 /nfs/dbraw/zinc/36/75/42/1100367542.db2.gz FGRTZSRJMHRDRM-OAHLLOKOSA-N 1 0 358.438 4.204 20 5 FIBDRO Cc1noc(CCC[NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000536865746 1100381991 /nfs/dbraw/zinc/38/19/91/1100381991.db2.gz XOSMAIRBQHARIS-LBPRGKRZSA-N 1 0 372.450 4.298 20 5 FIBDRO C[C@H]([NH2+]CCc1nc2ccccc2n1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000536871709 1100389485 /nfs/dbraw/zinc/38/94/85/1100389485.db2.gz QXMLKNXNJZFLMJ-LBPRGKRZSA-N 1 0 360.364 4.233 20 5 FIBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC[C@H]1O ZINC000438334650 1100599398 /nfs/dbraw/zinc/59/93/98/1100599398.db2.gz MKMDMXATCDFPSR-QGZVFWFLSA-N 1 0 364.829 4.101 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)Cc3ccccc3)s2)cc1 ZINC000438355363 1100625439 /nfs/dbraw/zinc/62/54/39/1100625439.db2.gz MUZNLBFUKHWFLV-KRWDZBQOSA-N 1 0 368.458 4.017 20 5 FIBDRO CC(C)[NH+]1CCC(N(C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000506353626 1100910745 /nfs/dbraw/zinc/91/07/45/1100910745.db2.gz QVGVUFYOLPIXSM-UHFFFAOYSA-N 1 0 357.454 4.159 20 5 FIBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000518562229 1101304893 /nfs/dbraw/zinc/30/48/93/1101304893.db2.gz CLGBEDLSHDXYJJ-DLBZAZTESA-N 1 0 356.422 4.340 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000426347833 1101329681 /nfs/dbraw/zinc/32/96/81/1101329681.db2.gz WLDGAWRYBGMVEF-LPMFXHHGSA-N 1 0 360.479 4.270 20 5 FIBDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000537027554 1101404402 /nfs/dbraw/zinc/40/44/02/1101404402.db2.gz CTSAQHUBWKESFY-OAHLLOKOSA-N 1 0 361.829 4.236 20 5 FIBDRO COC[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000537058989 1101413636 /nfs/dbraw/zinc/41/36/36/1101413636.db2.gz IKCTZNINOHNCBQ-IBGZPJMESA-N 1 0 364.392 4.173 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+]C2(c3ccccc3)CCCC2)cccc1[N+](=O)[O-] ZINC000537087080 1101453341 /nfs/dbraw/zinc/45/33/41/1101453341.db2.gz AZPNAJCMSZJGIG-UHFFFAOYSA-N 1 0 367.449 4.291 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2CCCc2ccccc2)c1 ZINC001168153013 1101476371 /nfs/dbraw/zinc/47/63/71/1101476371.db2.gz DGHSRYKOCJYPJT-PZJWPPBQSA-N 1 0 354.450 4.116 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000537175600 1101520744 /nfs/dbraw/zinc/52/07/44/1101520744.db2.gz RLFORZRMVIHHGH-IERDGZPVSA-N 1 0 369.465 4.067 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000537214370 1101549944 /nfs/dbraw/zinc/54/99/44/1101549944.db2.gz AEOLKEDGFRPJDP-UTCJRWHESA-N 1 0 374.824 4.213 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccccc1C(F)(F)F ZINC000509603933 1101555146 /nfs/dbraw/zinc/55/51/46/1101555146.db2.gz XFQAOTQOTWRJKZ-UHFFFAOYSA-N 1 0 368.355 4.345 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000191365561 1102155333 /nfs/dbraw/zinc/15/53/33/1102155333.db2.gz ZLGCBCYZMXBUCD-KBPBESRZSA-N 1 0 367.405 4.327 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CCO[C@@H](C3CC3)C2)c2ccccc2)c1 ZINC000248890822 1102231330 /nfs/dbraw/zinc/23/13/30/1102231330.db2.gz SPSVRYBMUQNHOP-CEWLAPEOSA-N 1 0 352.434 4.231 20 5 FIBDRO COc1ccc(C[N@H+](C)C2CCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537633178 1102329674 /nfs/dbraw/zinc/32/96/74/1102329674.db2.gz FFVKTYPOYQDBTH-UHFFFAOYSA-N 1 0 356.422 4.167 20 5 FIBDRO COc1ccc(C)cc1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000532455059 1102354313 /nfs/dbraw/zinc/35/43/13/1102354313.db2.gz APBFIVUOJDUBBY-IBGZPJMESA-N 1 0 354.450 4.065 20 5 FIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cnn1C ZINC000171049808 1102397233 /nfs/dbraw/zinc/39/72/33/1102397233.db2.gz QNYNJSKEASLELV-NSHDSACASA-N 1 0 374.828 4.401 20 5 FIBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000532475468 1102418643 /nfs/dbraw/zinc/41/86/43/1102418643.db2.gz NZWNHUUYMGXZSK-HXUWFJFHSA-N 1 0 367.449 4.377 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2nc(C3CCCCC3)cs2)cs1 ZINC000237974169 1102526575 /nfs/dbraw/zinc/52/65/75/1102526575.db2.gz YHQLBKMCUWSCOE-UHFFFAOYSA-N 1 0 351.497 4.493 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+][C@H](c2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC000026266768 1102548424 /nfs/dbraw/zinc/54/84/24/1102548424.db2.gz MXYMSMAHEFYHPM-FQEVSTJZSA-N 1 0 355.438 4.219 20 5 FIBDRO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cc1NC(C)=O ZINC000897466430 1102572007 /nfs/dbraw/zinc/57/20/07/1102572007.db2.gz UJMZZZHBZZYAMO-ZIAGYGMSSA-N 1 0 371.437 4.016 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCCO2 ZINC000192606913 1102644491 /nfs/dbraw/zinc/64/44/91/1102644491.db2.gz AYEAUJRHQMPRTH-UGSOOPFHSA-N 1 0 354.406 4.094 20 5 FIBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCCO2 ZINC000192606924 1102645197 /nfs/dbraw/zinc/64/51/97/1102645197.db2.gz AYEAUJRHQMPRTH-ACJLOTCBSA-N 1 0 354.406 4.094 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H](C[NH+]4CCCCC4)C3)o2)cc1 ZINC000537650157 1102696445 /nfs/dbraw/zinc/69/64/45/1102696445.db2.gz JAWQHYNEVBWJMC-KRWDZBQOSA-N 1 0 369.465 4.163 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000537649709 1102705074 /nfs/dbraw/zinc/70/50/74/1102705074.db2.gz XNKBXGVQESSSGS-SFHVURJKSA-N 1 0 370.449 4.032 20 5 FIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)c2ccccc21 ZINC000551030763 1102809878 /nfs/dbraw/zinc/80/98/78/1102809878.db2.gz BPFMDGPWVGDCLL-CYBMUJFWSA-N 1 0 367.380 4.176 20 5 FIBDRO COCC1(CC[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CCC1 ZINC000550252308 1102839887 /nfs/dbraw/zinc/83/98/87/1102839887.db2.gz WOMPXNPMRXNBKH-UHFFFAOYSA-N 1 0 374.437 4.160 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Cn3ccnc3)cc1)CCC2 ZINC000192657384 1102893796 /nfs/dbraw/zinc/89/37/96/1102893796.db2.gz KQYZKBHWWVAZJV-OAQYLSRUSA-N 1 0 362.433 4.007 20 5 FIBDRO C[C@@H]([NH2+]C1(Cc2cccc(F)c2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000550274609 1102913131 /nfs/dbraw/zinc/91/31/31/1102913131.db2.gz LVXOMKOJITXBCU-OAHLLOKOSA-N 1 0 358.413 4.176 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3ccccn3)o2)c(Cl)c1 ZINC000237815993 1102946182 /nfs/dbraw/zinc/94/61/82/1102946182.db2.gz CCAMULGZMZQDGY-UHFFFAOYSA-N 1 0 357.797 4.236 20 5 FIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000506944006 1102986058 /nfs/dbraw/zinc/98/60/58/1102986058.db2.gz KDBKSXBNDMIUPS-NFAWXSAZSA-N 1 0 371.403 4.455 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000729681911 1103036064 /nfs/dbraw/zinc/03/60/64/1103036064.db2.gz ALTGZYSVYCWBET-UHFFFAOYSA-N 1 0 367.361 4.095 20 5 FIBDRO CC(=O)c1ccc(N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000507003702 1103043315 /nfs/dbraw/zinc/04/33/15/1103043315.db2.gz XVYFNEZWRCHHDQ-KBXCAEBGSA-N 1 0 353.422 4.045 20 5 FIBDRO CC(C)(C)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000507040100 1103058462 /nfs/dbraw/zinc/05/84/62/1103058462.db2.gz OCJKISDFEBMYAV-LJQANCHMSA-N 1 0 373.428 4.440 20 5 FIBDRO O=[N+]([O-])c1ccccc1CN(Cc1c[nH]nc1-c1ccccc1F)C1CC1 ZINC000507166088 1103165430 /nfs/dbraw/zinc/16/54/30/1103165430.db2.gz CEGLKFYICSSNDB-UHFFFAOYSA-N 1 0 366.396 4.289 20 5 FIBDRO COCCOc1ccccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000507170979 1103189100 /nfs/dbraw/zinc/18/91/00/1103189100.db2.gz RIGMUTWCESBADA-UHFFFAOYSA-N 1 0 358.438 4.031 20 5 FIBDRO COCCOc1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000507172613 1103191160 /nfs/dbraw/zinc/19/11/60/1103191160.db2.gz GATCXTGNINTUBF-UHFFFAOYSA-N 1 0 358.438 4.031 20 5 FIBDRO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000192740455 1103421346 /nfs/dbraw/zinc/42/13/46/1103421346.db2.gz SDZOGGFEBWPORC-XJKSGUPXSA-N 1 0 372.421 4.401 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000467411868 1103837709 /nfs/dbraw/zinc/83/77/09/1103837709.db2.gz FTQBXMMACAJYLD-WBMJQRKESA-N 1 0 366.820 4.032 20 5 FIBDRO CN(C)[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000469564902 1104042019 /nfs/dbraw/zinc/04/20/19/1104042019.db2.gz GDSHVCOGFZZOAA-QGZVFWFLSA-N 1 0 367.371 4.006 20 5 FIBDRO CCC[N@H+](CCc1cccs1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184509289 1104501742 /nfs/dbraw/zinc/50/17/42/1104501742.db2.gz CQMDBFBSVFAPDH-UHFFFAOYSA-N 1 0 372.450 4.161 20 5 FIBDRO COc1cc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000441463402 1104795249 /nfs/dbraw/zinc/79/52/49/1104795249.db2.gz FIULONBKFRERPN-MBNYWOFBSA-N 1 0 370.396 4.358 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CC2(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000507941131 1105279186 /nfs/dbraw/zinc/27/91/86/1105279186.db2.gz LZLCGVSLPSNFRJ-LJQANCHMSA-N 1 0 356.422 4.071 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000508080154 1105316986 /nfs/dbraw/zinc/31/69/86/1105316986.db2.gz TUYCHYBKXJACBH-UHFFFAOYSA-N 1 0 363.417 4.358 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000451117230 1106929151 /nfs/dbraw/zinc/92/91/51/1106929151.db2.gz UCIDOVHCAYDECV-AWEZNQCLSA-N 1 0 353.422 4.070 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000451940052 1107387791 /nfs/dbraw/zinc/38/77/91/1107387791.db2.gz JZYTUZRGXHEHTD-UHFFFAOYSA-N 1 0 360.841 4.130 20 5 FIBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC000121346604 1107396767 /nfs/dbraw/zinc/39/67/67/1107396767.db2.gz NYKXQAFLEWSYKN-HNNXBMFYSA-N 1 0 363.417 4.062 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)C1CC1 ZINC000127387869 1107601889 /nfs/dbraw/zinc/60/18/89/1107601889.db2.gz GPUOTWNMCJYSKD-MOPGFXCFSA-N 1 0 358.482 4.387 20 5 FIBDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000531204163 1107646035 /nfs/dbraw/zinc/64/60/35/1107646035.db2.gz CJWGIIGLDXJTBS-HZPDHXFCSA-N 1 0 355.438 4.198 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OC ZINC000475557598 1107718280 /nfs/dbraw/zinc/71/82/80/1107718280.db2.gz ZFVVGBSUKXRWLF-PBHICJAKSA-N 1 0 374.412 4.177 20 5 FIBDRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000520109465 1107793316 /nfs/dbraw/zinc/79/33/16/1107793316.db2.gz ZKSOFNGUJSJCCS-UHFFFAOYSA-N 1 0 359.451 4.285 20 5 FIBDRO COc1cc(C[NH+]2CCC3(CCCC3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000610004557 1107889786 /nfs/dbraw/zinc/88/97/86/1107889786.db2.gz SJDGPUOAJLBFEW-UHFFFAOYSA-N 1 0 370.396 4.361 20 5 FIBDRO COc1ccc(C[NH2+]CC2(C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531445007 1107903742 /nfs/dbraw/zinc/90/37/42/1107903742.db2.gz UYHHMPWNYGNWLW-UHFFFAOYSA-N 1 0 356.422 4.072 20 5 FIBDRO COc1ccc(C[NH2+]C2(C3CC3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531609794 1108009670 /nfs/dbraw/zinc/00/96/70/1108009670.db2.gz XCYPJTUYTZEQSI-UHFFFAOYSA-N 1 0 368.433 4.215 20 5 FIBDRO CCCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C)c1ccccc1OC ZINC000444610617 1108017820 /nfs/dbraw/zinc/01/78/20/1108017820.db2.gz OWTMDRPXLGCGBA-CQSZACIVSA-N 1 0 368.437 4.453 20 5 FIBDRO COc1ccc(C[NH2+]CCc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000520205781 1108020427 /nfs/dbraw/zinc/02/04/27/1108020427.db2.gz CSNMPHJRHFICPX-UHFFFAOYSA-N 1 0 355.221 4.243 20 5 FIBDRO CCOc1cc2c(cc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)O[C@@H](C)C2 ZINC000531688735 1108055195 /nfs/dbraw/zinc/05/51/95/1108055195.db2.gz DTGHJAXIIOSLOV-DZGCQCFKSA-N 1 0 370.449 4.476 20 5 FIBDRO CCOc1cc2c(cc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)O[C@H](C)C2 ZINC000531688737 1108055975 /nfs/dbraw/zinc/05/59/75/1108055975.db2.gz DTGHJAXIIOSLOV-UKRRQHHQSA-N 1 0 370.449 4.476 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000531702719 1108084610 /nfs/dbraw/zinc/08/46/10/1108084610.db2.gz OUUSFNKCRVEKOM-JENIJYKNSA-N 1 0 353.466 4.389 20 5 FIBDRO COc1c(Cl)cc(Cl)cc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000520247926 1108193403 /nfs/dbraw/zinc/19/34/03/1108193403.db2.gz YMHNQIKOVSIBPT-UHFFFAOYSA-N 1 0 371.220 4.079 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]4OCC[C@H]43)s2)cc1 ZINC000531864608 1108290979 /nfs/dbraw/zinc/29/09/79/1108290979.db2.gz QDOJSSKPTXFNTH-RCCFBDPRSA-N 1 0 358.463 4.371 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CC2(c3ccc(F)cc3)CCOCC2)cc1[N+](=O)[O-] ZINC000152051298 1108306702 /nfs/dbraw/zinc/30/67/02/1108306702.db2.gz PGYCMAUENOILLP-INIZCTEOSA-N 1 0 372.440 4.441 20 5 FIBDRO Cc1ccnc(NCc2ccc(C[NH+]3CCCCCC3)cc2)c1[N+](=O)[O-] ZINC000523755017 1108501800 /nfs/dbraw/zinc/50/18/00/1108501800.db2.gz NXGRAHREINSGEA-UHFFFAOYSA-N 1 0 354.454 4.286 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000155226815 1108628560 /nfs/dbraw/zinc/62/85/60/1108628560.db2.gz QPVGZTHGGPPOLY-HNNXBMFYSA-N 1 0 369.343 4.172 20 5 FIBDRO CCC(=O)Nc1cccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000532193428 1108701831 /nfs/dbraw/zinc/70/18/31/1108701831.db2.gz RABQCBLKZVLCJQ-LJQANCHMSA-N 1 0 367.449 4.054 20 5 FIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000532199352 1108706147 /nfs/dbraw/zinc/70/61/47/1108706147.db2.gz DROPVDMHOBBDGB-KZULUSFZSA-N 1 0 359.451 4.114 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1cc2cccc(F)c2o1 ZINC000475693482 1108777003 /nfs/dbraw/zinc/77/70/03/1108777003.db2.gz ISLATYMGYFTIBC-LBPRGKRZSA-N 1 0 371.368 4.078 20 5 FIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000190625269 1108839919 /nfs/dbraw/zinc/83/99/19/1108839919.db2.gz ZLGCBCYZMXBUCD-ZIAGYGMSSA-N 1 0 367.405 4.327 20 5 FIBDRO C[C@H](CCCO)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000088762704 1108979359 /nfs/dbraw/zinc/97/93/59/1108979359.db2.gz FCLVZOJPZXGRKE-CYBMUJFWSA-N 1 0 364.829 4.291 20 5 FIBDRO COc1ccc(OCC[NH+]2CCC(c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000524755788 1109144162 /nfs/dbraw/zinc/14/41/62/1109144162.db2.gz BKUMNSPQFCSRCC-UHFFFAOYSA-N 1 0 374.412 4.001 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1NCc1ccccc1C[NH+]1CCCCC1 ZINC000525128496 1109274162 /nfs/dbraw/zinc/27/41/62/1109274162.db2.gz LLACMETUQQTMQC-UHFFFAOYSA-N 1 0 369.465 4.339 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000525145235 1109277480 /nfs/dbraw/zinc/27/74/80/1109277480.db2.gz IJPCCKWJKDKKCW-INIZCTEOSA-N 1 0 367.449 4.387 20 5 FIBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000525271826 1109318956 /nfs/dbraw/zinc/31/89/56/1109318956.db2.gz WJIGIGNRWSNDMT-IBGZPJMESA-N 1 0 370.449 4.223 20 5 FIBDRO COc1ccc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000525266900 1109324556 /nfs/dbraw/zinc/32/45/56/1109324556.db2.gz VOZCYENHYOAVNF-INIZCTEOSA-N 1 0 358.463 4.218 20 5 FIBDRO Cc1cccc(C)c1[C@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000546931614 1109425921 /nfs/dbraw/zinc/42/59/21/1109425921.db2.gz UDAWUAHKGFTLSX-INIZCTEOSA-N 1 0 355.438 4.199 20 5 FIBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000525707228 1109487422 /nfs/dbraw/zinc/48/74/22/1109487422.db2.gz BALAAOSUJZHFQY-ACJLOTCBSA-N 1 0 361.467 4.160 20 5 FIBDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]2CCCO[C@H]21 ZINC000525708845 1109488893 /nfs/dbraw/zinc/48/88/93/1109488893.db2.gz JTDLDJFJIZSDOA-KFKAGJAMSA-N 1 0 356.422 4.148 20 5 FIBDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]2CCCO[C@H]21 ZINC000525708843 1109489100 /nfs/dbraw/zinc/48/91/00/1109489100.db2.gz JTDLDJFJIZSDOA-ATZDWAIDSA-N 1 0 356.422 4.148 20 5 FIBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)Sc1ccccc1 ZINC000447530710 1109564567 /nfs/dbraw/zinc/56/45/67/1109564567.db2.gz PDLIRDDUZSHROJ-DJIMGWMZSA-N 1 0 360.483 4.045 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)CCC2 ZINC000447534036 1109570564 /nfs/dbraw/zinc/57/05/64/1109570564.db2.gz ZJVOOHDAIKQWEB-YADHBBJMSA-N 1 0 365.477 4.399 20 5 FIBDRO CN(C)[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000447538476 1109572650 /nfs/dbraw/zinc/57/26/50/1109572650.db2.gz CFQGEYUVDSKDRJ-PMACEKPBSA-N 1 0 357.429 4.004 20 5 FIBDRO CC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCCO2 ZINC000447546451 1109575275 /nfs/dbraw/zinc/57/52/75/1109575275.db2.gz WAGCQGSBLBPLAD-OALUTQOASA-N 1 0 368.433 4.484 20 5 FIBDRO Cc1ccc([C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)N2CCCC2)o1 ZINC000447564231 1109583676 /nfs/dbraw/zinc/58/36/76/1109583676.db2.gz VYHIGAORAWKVTB-WOJBJXKFSA-N 1 0 369.465 4.300 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)n1 ZINC000447584051 1109586192 /nfs/dbraw/zinc/58/61/92/1109586192.db2.gz DJYDZVRDGDCQSS-APIJFGDWSA-N 1 0 374.407 4.233 20 5 FIBDRO CN1CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000447589111 1109588978 /nfs/dbraw/zinc/58/89/78/1109588978.db2.gz WXTHTDIZDRTGLH-ACRUOGEOSA-N 1 0 351.450 4.007 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCc2cccc(Cl)c2)n1 ZINC000447578431 1109594075 /nfs/dbraw/zinc/59/40/75/1109594075.db2.gz FMMDSLGRRLGMJZ-DLBZAZTESA-N 1 0 362.861 4.151 20 5 FIBDRO Cc1oc2ccccc2c1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447606381 1109600830 /nfs/dbraw/zinc/60/08/30/1109600830.db2.gz MDUUBBLNDBUNRY-IRXDYDNUSA-N 1 0 354.410 4.119 20 5 FIBDRO Cc1c(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000429723370 1109606424 /nfs/dbraw/zinc/60/64/24/1109606424.db2.gz KJLRGGZTYIDUKF-UHFFFAOYSA-N 1 0 358.413 4.224 20 5 FIBDRO C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163299514 1109949476 /nfs/dbraw/zinc/94/94/76/1109949476.db2.gz VUJHZEHVSKKZPD-CYBMUJFWSA-N 1 0 371.828 4.022 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000449072982 1109972872 /nfs/dbraw/zinc/97/28/72/1109972872.db2.gz REQKWOJBRDOTFN-OAHLLOKOSA-N 1 0 367.449 4.054 20 5 FIBDRO CCCC(=O)Nc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449083216 1109975467 /nfs/dbraw/zinc/97/54/67/1109975467.db2.gz SJCWSVQAVLHIGX-OAHLLOKOSA-N 1 0 355.438 4.054 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000449108636 1109977244 /nfs/dbraw/zinc/97/72/44/1109977244.db2.gz VEMSXDWLQKDVSP-IRXDYDNUSA-N 1 0 373.522 4.089 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000449171470 1109988131 /nfs/dbraw/zinc/98/81/31/1109988131.db2.gz KPRAKFUCRXTEJZ-CQSZACIVSA-N 1 0 368.412 4.294 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000449243088 1110010817 /nfs/dbraw/zinc/01/08/17/1110010817.db2.gz ICVSOVJEKNHGRG-CQSZACIVSA-N 1 0 350.422 4.000 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000449438934 1110079404 /nfs/dbraw/zinc/07/94/04/1110079404.db2.gz SNAIVZPPLURMNJ-GFCCVEGCSA-N 1 0 353.344 4.120 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCOC4(CCC4)C3)o2)cc1 ZINC000449476722 1110084598 /nfs/dbraw/zinc/08/45/98/1110084598.db2.gz NLPHQUAERRNSSY-HNNXBMFYSA-N 1 0 356.422 4.294 20 5 FIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000026368174 1110243824 /nfs/dbraw/zinc/24/38/24/1110243824.db2.gz CKVJLECXFNPPEY-QWHCGFSZSA-N 1 0 361.829 4.234 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000026368181 1110244544 /nfs/dbraw/zinc/24/45/44/1110244544.db2.gz CKVJLECXFNPPEY-OLZOCXBDSA-N 1 0 361.829 4.234 20 5 FIBDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000450689810 1110330801 /nfs/dbraw/zinc/33/08/01/1110330801.db2.gz YFCJMFHKGGVHKK-LBPRGKRZSA-N 1 0 362.813 4.194 20 5 FIBDRO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000538425795 1111132456 /nfs/dbraw/zinc/13/24/56/1111132456.db2.gz BMOIPLCRMPLCOL-LJQANCHMSA-N 1 0 368.458 4.455 20 5 FIBDRO Cn1cc(C[NH2+][C@@H]2C[C@H]2C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538602892 1111209820 /nfs/dbraw/zinc/20/98/20/1111209820.db2.gz NKUKBYQBSKBHCH-RBUKOAKNSA-N 1 0 354.454 4.054 20 5 FIBDRO COc1cc(C[N@@H+]2CCC2(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538738054 1111271822 /nfs/dbraw/zinc/27/18/22/1111271822.db2.gz VBMLJMTZMGZSQD-UHFFFAOYSA-N 1 0 356.422 4.167 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCSCC(F)(F)F)o1 ZINC000538756770 1111284051 /nfs/dbraw/zinc/28/40/51/1111284051.db2.gz YGCJNDSTFBLOJZ-UHFFFAOYSA-N 1 0 360.357 4.240 20 5 FIBDRO CC[C@@H]([NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539052335 1111401564 /nfs/dbraw/zinc/40/15/64/1111401564.db2.gz VUQKNEWHAUTPBI-IAGOWNOFSA-N 1 0 368.355 4.388 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000539053655 1111401694 /nfs/dbraw/zinc/40/16/94/1111401694.db2.gz SYBLAOSNFHAINM-FHERZECASA-N 1 0 362.470 4.454 20 5 FIBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1sccc1Br ZINC000539056716 1111403599 /nfs/dbraw/zinc/40/35/99/1111403599.db2.gz XCADHTJDKNZOAZ-JTQLQIEISA-N 1 0 355.257 4.312 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1c(F)cncc1F ZINC000552093312 1111572775 /nfs/dbraw/zinc/57/27/75/1111572775.db2.gz CNQODFRCJGHBRY-NEPJUHHUSA-N 1 0 367.421 4.490 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)C1CC1 ZINC000477933640 1111606364 /nfs/dbraw/zinc/60/63/64/1111606364.db2.gz TWQKACHDEOZVSN-RZUBCFFCSA-N 1 0 366.461 4.283 20 5 FIBDRO Cc1cccc([C@H](C)C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000552244435 1111636145 /nfs/dbraw/zinc/63/61/45/1111636145.db2.gz AFMFJVRTCFKNKZ-OXQOHEQNSA-N 1 0 364.449 4.119 20 5 FIBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H](C)c1ccc(F)cc1 ZINC000552830248 1111818157 /nfs/dbraw/zinc/81/81/57/1111818157.db2.gz ZYIMXFQBZGEFSR-HNNXBMFYSA-N 1 0 373.428 4.454 20 5 FIBDRO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000553340420 1111954771 /nfs/dbraw/zinc/95/47/71/1111954771.db2.gz FUKFMHGTVGWMLJ-UHFFFAOYSA-N 1 0 353.422 4.141 20 5 FIBDRO CCC(=O)c1ccc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000479368238 1112001874 /nfs/dbraw/zinc/00/18/74/1112001874.db2.gz QMJCOIVJNFQPFF-GOSISDBHSA-N 1 0 359.401 4.041 20 5 FIBDRO COc1cc2c(cc1OC)[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000479384457 1112006008 /nfs/dbraw/zinc/00/60/08/1112006008.db2.gz DDLKPNQZSXHGSA-GUYCJALGSA-N 1 0 356.422 4.259 20 5 FIBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000479396444 1112011925 /nfs/dbraw/zinc/01/19/25/1112011925.db2.gz PXIHMXZNIILVSF-HNNXBMFYSA-N 1 0 371.485 4.106 20 5 FIBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000480057146 1112259696 /nfs/dbraw/zinc/25/96/96/1112259696.db2.gz GKHNGFWFLZSVNE-UHFFFAOYSA-N 1 0 367.877 4.023 20 5 FIBDRO CCC(=O)c1ccc(NC2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000480057576 1112260820 /nfs/dbraw/zinc/26/08/20/1112260820.db2.gz LHSDYIFWCOBFLJ-UHFFFAOYSA-N 1 0 359.470 4.397 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nccn1-c1ccccc1 ZINC000554373290 1112324240 /nfs/dbraw/zinc/32/42/40/1112324240.db2.gz FJXWQVXTGQQPHF-SJORKVTESA-N 1 0 364.449 4.452 20 5 FIBDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000554887964 1112547611 /nfs/dbraw/zinc/54/76/11/1112547611.db2.gz NFDGPHLGBRHFPA-LJQANCHMSA-N 1 0 360.479 4.308 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000480714033 1112566165 /nfs/dbraw/zinc/56/61/65/1112566165.db2.gz ZZBKMLQQPRCXHK-ZSZQSSIHSA-N 1 0 350.459 4.238 20 5 FIBDRO CCOCc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000480810854 1112614874 /nfs/dbraw/zinc/61/48/74/1112614874.db2.gz GPPRMTRJUHCFSV-HXUWFJFHSA-N 1 0 354.450 4.242 20 5 FIBDRO Cc1c(C[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)cccc1[N+](=O)[O-] ZINC000555598617 1112937939 /nfs/dbraw/zinc/93/79/39/1112937939.db2.gz ZBDLHLPPJBZEFF-CQSZACIVSA-N 1 0 354.385 4.079 20 5 FIBDRO Cc1c(C[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)cccc1[N+](=O)[O-] ZINC000555626708 1112953865 /nfs/dbraw/zinc/95/38/65/1112953865.db2.gz ZBDLHLPPJBZEFF-AWEZNQCLSA-N 1 0 354.385 4.079 20 5 FIBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000482697826 1113334700 /nfs/dbraw/zinc/33/47/00/1113334700.db2.gz WJYGMSIRVVESSF-LSDHHAIUSA-N 1 0 350.422 4.158 20 5 FIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(N3CCC(C)CC3)nc2)cccc1[N+](=O)[O-] ZINC000160491655 1113395069 /nfs/dbraw/zinc/39/50/69/1113395069.db2.gz FEAWNGULUQTPCR-KRWDZBQOSA-N 1 0 368.481 4.385 20 5 FIBDRO Cc1cccc(CC2(O)CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000482931131 1113402090 /nfs/dbraw/zinc/40/20/90/1113402090.db2.gz WMEGPIKOXVFWNB-KRWDZBQOSA-N 1 0 354.450 4.034 20 5 FIBDRO CCCC1CCC(N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000483077237 1113437265 /nfs/dbraw/zinc/43/72/65/1113437265.db2.gz ULHPIJHLMUUDTQ-UHFFFAOYSA-N 1 0 370.453 4.211 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000486863019 1113662791 /nfs/dbraw/zinc/66/27/91/1113662791.db2.gz BRQFUEXOBWBGOF-NVXWUHKLSA-N 1 0 356.422 4.125 20 5 FIBDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000174533892 1113697461 /nfs/dbraw/zinc/69/74/61/1113697461.db2.gz NVYGKQSDQXJKOD-CQSZACIVSA-N 1 0 370.478 4.025 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](c2ccc(F)cc2F)C(C)C)cc1[N+](=O)[O-] ZINC000150874469 1114145242 /nfs/dbraw/zinc/14/52/42/1114145242.db2.gz FVKVIJMDELIEIA-GOSISDBHSA-N 1 0 350.365 4.369 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490029414 1114204860 /nfs/dbraw/zinc/20/48/60/1114204860.db2.gz JWNJZOWXUYFNEI-QUCCMNQESA-N 1 0 367.493 4.418 20 5 FIBDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)cc1 ZINC000490039210 1114207015 /nfs/dbraw/zinc/20/70/15/1114207015.db2.gz JBTIZPKKAHKUIU-FUHWJXTLSA-N 1 0 367.449 4.028 20 5 FIBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490082818 1114216660 /nfs/dbraw/zinc/21/66/60/1114216660.db2.gz SZKFQDOAIUZMLB-KRWDZBQOSA-N 1 0 369.465 4.185 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000490149832 1114218303 /nfs/dbraw/zinc/21/83/03/1114218303.db2.gz ABDQIGLMCNZBRH-CQSZACIVSA-N 1 0 350.422 4.412 20 5 FIBDRO C[C@H](CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000490125526 1114221246 /nfs/dbraw/zinc/22/12/46/1114221246.db2.gz QHAMPVRMUPNVGJ-UTKZUKDTSA-N 1 0 353.466 4.006 20 5 FIBDRO CC[C@H](CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000490171809 1114229644 /nfs/dbraw/zinc/22/96/44/1114229644.db2.gz ILTLODXSYOQTJD-CTNGQTDRSA-N 1 0 353.466 4.148 20 5 FIBDRO COc1cc(C[N@H+]([C@H](C)C2CC2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491116987 1114375820 /nfs/dbraw/zinc/37/58/20/1114375820.db2.gz WHTPLLHVSJICLM-LLVKDONJSA-N 1 0 370.396 4.010 20 5 FIBDRO Cc1cccc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000056041847 1114581462 /nfs/dbraw/zinc/58/14/62/1114581462.db2.gz DCDWUQOVXNXMNT-UHFFFAOYSA-N 1 0 367.449 4.184 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000165629319 1114855604 /nfs/dbraw/zinc/85/56/04/1114855604.db2.gz PUXPTQPTUVWKAY-IBGZPJMESA-N 1 0 371.412 4.208 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCC(OC(F)F)CC1)C1CC1 ZINC000590780162 1114972709 /nfs/dbraw/zinc/97/27/09/1114972709.db2.gz SIIXNOUNGKYIEQ-UYSNPLJNSA-N 1 0 354.397 4.056 20 5 FIBDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591348045 1115068323 /nfs/dbraw/zinc/06/83/23/1115068323.db2.gz YCPMHGRILGSIQP-VQTJNVASSA-N 1 0 368.433 4.484 20 5 FIBDRO CCc1ccc([C@@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000591582549 1115109562 /nfs/dbraw/zinc/10/95/62/1115109562.db2.gz KAAOHGMACATAMH-UZLBHIALSA-N 1 0 369.465 4.104 20 5 FIBDRO C[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000573874077 1115193435 /nfs/dbraw/zinc/19/34/35/1115193435.db2.gz PTJVGVPBQZOARD-MRXNPFEDSA-N 1 0 367.449 4.323 20 5 FIBDRO Cc1cccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC000592131260 1115205399 /nfs/dbraw/zinc/20/53/99/1115205399.db2.gz VGXKQYSMTNVJRY-MXVIHJGJSA-N 1 0 354.450 4.209 20 5 FIBDRO CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000167148048 1115206596 /nfs/dbraw/zinc/20/65/96/1115206596.db2.gz SEAJWGVFYAQSOW-QGZVFWFLSA-N 1 0 372.465 4.478 20 5 FIBDRO C[C@@H]1CC2(C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CCOCC2 ZINC000592185023 1115222033 /nfs/dbraw/zinc/22/20/33/1115222033.db2.gz UDNZNWRVIWYKLZ-GFCCVEGCSA-N 1 0 358.360 4.005 20 5 FIBDRO C[C@H]1CC2(C[N@@H+]1Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CCOCC2 ZINC000592529173 1115241229 /nfs/dbraw/zinc/24/12/29/1115241229.db2.gz YLMMOMZSHNPAOT-HNNXBMFYSA-N 1 0 356.422 4.246 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H](C3CC3)C3CCOCC3)cs2)c1 ZINC000593668305 1115338094 /nfs/dbraw/zinc/33/80/94/1115338094.db2.gz JAXOWQRSLBJCNJ-GOSISDBHSA-N 1 0 373.478 4.013 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](C3CC3)C3CCOCC3)o2)cc1 ZINC000593668344 1115338228 /nfs/dbraw/zinc/33/82/28/1115338228.db2.gz JTHQGUDYNBKKJC-FQEVSTJZSA-N 1 0 356.422 4.150 20 5 FIBDRO CC(C)(C)OC(=O)C1(C)CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000592522713 1115341122 /nfs/dbraw/zinc/34/11/22/1115341122.db2.gz FWKNJCTWNBVQOP-VQHVLOKHSA-N 1 0 360.454 4.052 20 5 FIBDRO COC[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(Cl)c1 ZINC000574370676 1115357827 /nfs/dbraw/zinc/35/78/27/1115357827.db2.gz YNOMXQYZWVALAT-IBGZPJMESA-N 1 0 373.840 4.249 20 5 FIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccc2c(c1)OCCO2 ZINC000595018087 1115504005 /nfs/dbraw/zinc/50/40/05/1115504005.db2.gz PVDBLQFZGPNQRP-CXAGYDPISA-N 1 0 372.421 4.177 20 5 FIBDRO COC[C@H](CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)OC ZINC000595062235 1115509016 /nfs/dbraw/zinc/50/90/16/1115509016.db2.gz ULRNUDZWCIDUKN-KGLIPLIRSA-N 1 0 364.467 4.025 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]C[C@@H]2CCOC2(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595108513 1115516398 /nfs/dbraw/zinc/51/63/98/1115516398.db2.gz QZOAREIRZYRHTQ-KXBFYZLASA-N 1 0 358.438 4.244 20 5 FIBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000595298054 1115521661 /nfs/dbraw/zinc/52/16/61/1115521661.db2.gz NTSLCQPKSSNVJN-YLJYHZDGSA-N 1 0 358.413 4.334 20 5 FIBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)c1 ZINC000593020331 1115538651 /nfs/dbraw/zinc/53/86/51/1115538651.db2.gz HGLYQQXYKHFACW-LJQANCHMSA-N 1 0 372.396 4.070 20 5 FIBDRO CCO[C@H]1C[C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCCC2 ZINC000575218235 1115548895 /nfs/dbraw/zinc/54/88/95/1115548895.db2.gz XCFUVCQWZLHUBQ-ROUUACIJSA-N 1 0 371.437 4.077 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595746525 1115561130 /nfs/dbraw/zinc/56/11/30/1115561130.db2.gz BIYDAIYRFRSDKV-XKGZKEIXSA-N 1 0 354.450 4.062 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC([C@H]4CCCCO4)CC3)co2)cc1 ZINC000595781590 1115563197 /nfs/dbraw/zinc/56/31/97/1115563197.db2.gz CRUZSWCPUQVMKX-LJQANCHMSA-N 1 0 371.437 4.031 20 5 FIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000595838766 1115563768 /nfs/dbraw/zinc/56/37/68/1115563768.db2.gz WATDTMOTTAKMJM-CJNGLKHVSA-N 1 0 356.426 4.218 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000593126925 1115567334 /nfs/dbraw/zinc/56/73/34/1115567334.db2.gz YENGQHCWIJKMPR-UFYCRDLUSA-N 1 0 368.433 4.098 20 5 FIBDRO C[C@@H](O)C1([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000597235286 1115650182 /nfs/dbraw/zinc/65/01/82/1115650182.db2.gz XJICBIDEUKMXOL-GFCCVEGCSA-N 1 0 362.813 4.044 20 5 FIBDRO COc1ccccc1[C@@H]1CCCN1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761289939 1115755777 /nfs/dbraw/zinc/75/57/77/1115755777.db2.gz INEKDBOHECHPOR-SFHVURJKSA-N 1 0 366.421 4.056 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1nc2ccccc2n1C(F)F ZINC000603421438 1115772349 /nfs/dbraw/zinc/77/23/49/1115772349.db2.gz DOCKGOBPXGMYLP-GFCCVEGCSA-N 1 0 360.364 4.499 20 5 FIBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(C)ccc1C ZINC000599008252 1115776364 /nfs/dbraw/zinc/77/63/64/1115776364.db2.gz XFRASESFQPPWKT-IBGZPJMESA-N 1 0 356.422 4.319 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)cc1 ZINC000599017078 1115779444 /nfs/dbraw/zinc/77/94/44/1115779444.db2.gz XCBVBQFXBZNTLB-MRXNPFEDSA-N 1 0 355.221 4.115 20 5 FIBDRO C[NH+](C)C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc(Cl)c(Cl)c1 ZINC000599172873 1115797033 /nfs/dbraw/zinc/79/70/33/1115797033.db2.gz VLLWLVCMPQZVPM-CQSZACIVSA-N 1 0 355.225 4.011 20 5 FIBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000603738736 1115812204 /nfs/dbraw/zinc/81/22/04/1115812204.db2.gz SQJQXJLXMUSXIX-UHFFFAOYSA-N 1 0 367.405 4.435 20 5 FIBDRO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000603838680 1115818100 /nfs/dbraw/zinc/81/81/00/1115818100.db2.gz BFBPTYXDICRODY-GOSISDBHSA-N 1 0 356.422 4.339 20 5 FIBDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000603839053 1115818613 /nfs/dbraw/zinc/81/86/13/1115818613.db2.gz KJJDJGKWRDOPDO-IBGZPJMESA-N 1 0 356.422 4.258 20 5 FIBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000603860469 1115822656 /nfs/dbraw/zinc/82/26/56/1115822656.db2.gz CRJSDJRBTGPSAE-HOTGVXAUSA-N 1 0 356.470 4.313 20 5 FIBDRO Cc1c(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-] ZINC000599666429 1115834578 /nfs/dbraw/zinc/83/45/78/1115834578.db2.gz OHBLEUPXQKESIC-INIZCTEOSA-N 1 0 369.248 4.423 20 5 FIBDRO CC1CCN([C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000604282931 1115861440 /nfs/dbraw/zinc/86/14/40/1115861440.db2.gz PBSDGUOCBVMBKD-OAQYLSRUSA-N 1 0 353.466 4.158 20 5 FIBDRO CC[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000061554781 1115863988 /nfs/dbraw/zinc/86/39/88/1115863988.db2.gz LNHPCRQFSMTILO-OAHLLOKOSA-N 1 0 350.422 4.336 20 5 FIBDRO Cc1ccc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)cc1[N+](=O)[O-] ZINC000604481175 1115866425 /nfs/dbraw/zinc/86/64/25/1115866425.db2.gz IFUWDBYFOABBIS-FQEVSTJZSA-N 1 0 373.884 4.483 20 5 FIBDRO C[C@@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000604483430 1115866431 /nfs/dbraw/zinc/86/64/31/1115866431.db2.gz VXXWFAAVTYLAGF-MRXNPFEDSA-N 1 0 351.450 4.010 20 5 FIBDRO CCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccccc1F ZINC000604493441 1115867807 /nfs/dbraw/zinc/86/78/07/1115867807.db2.gz YXKKDDQILJIMMO-UHFFFAOYSA-N 1 0 373.428 4.283 20 5 FIBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1F ZINC000604550206 1115868894 /nfs/dbraw/zinc/86/88/94/1115868894.db2.gz KXXCJXKDAWBQBT-UHFFFAOYSA-N 1 0 368.355 4.403 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCCSc2ccccc2)c1 ZINC000604532226 1115869324 /nfs/dbraw/zinc/86/93/24/1115869324.db2.gz MUEMWYCEKUVINB-UHFFFAOYSA-N 1 0 368.405 4.468 20 5 FIBDRO C[C@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000173438856 1116067078 /nfs/dbraw/zinc/06/70/78/1116067078.db2.gz LFUJRUWNTCLFDZ-ZUZCIYMTSA-N 1 0 355.221 4.286 20 5 FIBDRO C[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)C[NH+]1CCCCC1 ZINC000063781859 1116110117 /nfs/dbraw/zinc/11/01/17/1116110117.db2.gz DBZRPJKEGHASJU-QGZVFWFLSA-N 1 0 361.489 4.240 20 5 FIBDRO COc1cc(C[NH2+]C[C@@H](C)C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000608782108 1116128441 /nfs/dbraw/zinc/12/84/41/1116128441.db2.gz NTYALIXGIBCCTN-OAHLLOKOSA-N 1 0 370.449 4.318 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccc(OC(C)C)cc1 ZINC000608781871 1116128448 /nfs/dbraw/zinc/12/84/48/1116128448.db2.gz XMHWDVFFJTXXJI-UHFFFAOYSA-N 1 0 358.438 4.113 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC4(CCCCC4)CC3)n2)cc1 ZINC000608833233 1116130749 /nfs/dbraw/zinc/13/07/49/1116130749.db2.gz CHLKDBXSPPJFPL-UHFFFAOYSA-N 1 0 356.426 4.191 20 5 FIBDRO C[NH+](C)C1(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCCC1 ZINC000608835475 1116130975 /nfs/dbraw/zinc/13/09/75/1116130975.db2.gz KYVCRXILUGIMSH-UHFFFAOYSA-N 1 0 357.454 4.209 20 5 FIBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000608836909 1116131283 /nfs/dbraw/zinc/13/12/83/1116131283.db2.gz YIYBXRFQESDIMK-CVEARBPZSA-N 1 0 357.454 4.065 20 5 FIBDRO C[C@H](C[C@H]1CCCO1)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000608837911 1116131443 /nfs/dbraw/zinc/13/14/43/1116131443.db2.gz XMNOIBJNXNFMTF-VQIMIIECSA-N 1 0 369.465 4.410 20 5 FIBDRO C[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000608837908 1116131453 /nfs/dbraw/zinc/13/14/53/1116131453.db2.gz XMNOIBJNXNFMTF-LPHOPBHVSA-N 1 0 369.465 4.410 20 5 FIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000456267340 1116173031 /nfs/dbraw/zinc/17/30/31/1116173031.db2.gz IRQLXUWRGFLPQE-KRWDZBQOSA-N 1 0 371.462 4.118 20 5 FIBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc21 ZINC000456269311 1116173417 /nfs/dbraw/zinc/17/34/17/1116173417.db2.gz JXJRRSIHHNVLTO-OAHLLOKOSA-N 1 0 359.813 4.049 20 5 FIBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000456274428 1116173946 /nfs/dbraw/zinc/17/39/46/1116173946.db2.gz MQRPDIRFSKIHPW-LJQANCHMSA-N 1 0 367.449 4.060 20 5 FIBDRO O=[N+]([O-])c1cc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cs1 ZINC000534963864 1116258219 /nfs/dbraw/zinc/25/82/19/1116258219.db2.gz PPXYWVAACFIWJZ-UHFFFAOYSA-N 1 0 371.506 4.144 20 5 FIBDRO CC[NH2+]Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 ZINC000457363824 1116270358 /nfs/dbraw/zinc/27/03/58/1116270358.db2.gz QOCDRVMGMOVDCV-UHFFFAOYSA-N 1 0 373.478 4.457 20 5 FIBDRO CC(C)[C@H](O)C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000539588908 1116349615 /nfs/dbraw/zinc/34/96/15/1116349615.db2.gz VRXRCJKIFDVKHP-SFHVURJKSA-N 1 0 360.479 4.210 20 5 FIBDRO CCC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CCCCO1 ZINC000089912260 1116351839 /nfs/dbraw/zinc/35/18/39/1116351839.db2.gz YZYIRMVOOMYVJF-SFHVURJKSA-N 1 0 359.426 4.031 20 5 FIBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089910130 1116351967 /nfs/dbraw/zinc/35/19/67/1116351967.db2.gz GDTJWQBWVOVCQQ-AWEZNQCLSA-N 1 0 367.405 4.018 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCS[C@@H]4CCCC[C@@H]43)co2)cc1 ZINC000089909230 1116352285 /nfs/dbraw/zinc/35/22/85/1116352285.db2.gz AKORIOXFAPTPML-DLBZAZTESA-N 1 0 359.451 4.110 20 5 FIBDRO CCOc1ccc([C@H](C)Nc2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000539740286 1116373949 /nfs/dbraw/zinc/37/39/49/1116373949.db2.gz GKBZLFYIDWFLPE-HNNXBMFYSA-N 1 0 373.453 4.107 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000539807911 1116383283 /nfs/dbraw/zinc/38/32/83/1116383283.db2.gz OCPZGBFOUCQHEK-NRFANRHFSA-N 1 0 367.449 4.073 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000539834445 1116388656 /nfs/dbraw/zinc/38/86/56/1116388656.db2.gz CGNIQVYUEJOFGS-UTKZUKDTSA-N 1 0 352.434 4.242 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)Oc1ccccc1Cl ZINC000462735935 1117741575 /nfs/dbraw/zinc/74/15/75/1117741575.db2.gz RKEFXOXKJVHETI-CYBMUJFWSA-N 1 0 364.829 4.204 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1c[nH]c2ccc(Cl)cc12 ZINC000462739779 1117744220 /nfs/dbraw/zinc/74/42/20/1117744220.db2.gz WYTCKDUWRWWWAQ-UHFFFAOYSA-N 1 0 373.840 4.461 20 5 FIBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C12CCC2 ZINC000462754747 1117746455 /nfs/dbraw/zinc/74/64/55/1117746455.db2.gz RBCDUBNWNADIHS-OALUTQOASA-N 1 0 356.422 4.292 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H](C)c1ccc(OC)cc1 ZINC000462754296 1117746943 /nfs/dbraw/zinc/74/69/43/1117746943.db2.gz OMFXLWWLVKSMNR-OAHLLOKOSA-N 1 0 358.438 4.286 20 5 FIBDRO COc1cc(NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000462786497 1117771145 /nfs/dbraw/zinc/77/11/45/1117771145.db2.gz YMEOAPGASKONOI-MRXNPFEDSA-N 1 0 369.465 4.447 20 5 FIBDRO COc1cc(NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000462805916 1117787755 /nfs/dbraw/zinc/78/77/55/1117787755.db2.gz WGDMFAIWRYYDDQ-IBGZPJMESA-N 1 0 355.438 4.161 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)cs1 ZINC000462869960 1117827976 /nfs/dbraw/zinc/82/79/76/1117827976.db2.gz XWIZXXCKEGWDEM-MQMHXKEQSA-N 1 0 367.268 4.455 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000540152933 1117906878 /nfs/dbraw/zinc/90/68/78/1117906878.db2.gz XDJRHRZNPYVDOZ-SJCJKPOMSA-N 1 0 368.355 4.306 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CCCOc3c(C)cc(C)cc32)cc1[N+](=O)[O-] ZINC000540177117 1117916441 /nfs/dbraw/zinc/91/64/41/1117916441.db2.gz XZYAGDYKCKEORU-KRWDZBQOSA-N 1 0 356.422 4.224 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000463041308 1117933785 /nfs/dbraw/zinc/93/37/85/1117933785.db2.gz XYHXTOGWJQGHPJ-XLNAKTSKSA-N 1 0 360.360 4.390 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000540388490 1118024300 /nfs/dbraw/zinc/02/43/00/1118024300.db2.gz QOMXAZNKPWYYBU-DYESRHJHSA-N 1 0 370.449 4.249 20 5 FIBDRO CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000540379846 1118031520 /nfs/dbraw/zinc/03/15/20/1118031520.db2.gz JHGOEIYLWRGEGM-CABCVRRESA-N 1 0 355.438 4.398 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000540479073 1118079814 /nfs/dbraw/zinc/07/98/14/1118079814.db2.gz TYDSDRPPGZMIKX-OAHLLOKOSA-N 1 0 355.438 4.316 20 5 FIBDRO Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000540468892 1118083289 /nfs/dbraw/zinc/08/32/89/1118083289.db2.gz ZNRQSSKQMAYAMH-LJQANCHMSA-N 1 0 356.422 4.076 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000540514600 1118102349 /nfs/dbraw/zinc/10/23/49/1118102349.db2.gz QUWMZZJDEKZAGR-QBUQCISBSA-N 1 0 355.438 4.018 20 5 FIBDRO CC[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000540567483 1118124438 /nfs/dbraw/zinc/12/44/38/1118124438.db2.gz VLVQOPRYAIYCJY-MRXNPFEDSA-N 1 0 364.449 4.279 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] ZINC000152939596 1118138537 /nfs/dbraw/zinc/13/85/37/1118138537.db2.gz ZUPOKURQPAGEEJ-HNNXBMFYSA-N 1 0 366.421 4.030 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCCOCC2)cc1[N+](=O)[O-] ZINC000540687962 1118187582 /nfs/dbraw/zinc/18/75/82/1118187582.db2.gz MUQLZMSQZNGSNO-KRWDZBQOSA-N 1 0 355.438 4.021 20 5 FIBDRO C[C@@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000090079270 1118360488 /nfs/dbraw/zinc/36/04/88/1118360488.db2.gz OACSKGSMMJSZDN-BMIGLBTASA-N 1 0 355.221 4.286 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)cc1[N+](=O)[O-] ZINC000152971816 1118402890 /nfs/dbraw/zinc/40/28/90/1118402890.db2.gz HUPJMIUNWYGLBO-AWEZNQCLSA-N 1 0 359.426 4.027 20 5 FIBDRO C[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000091739096 1118660584 /nfs/dbraw/zinc/66/05/84/1118660584.db2.gz CXEXJDLZRKJBLY-CYBMUJFWSA-N 1 0 355.369 4.282 20 5 FIBDRO Cc1cccc([C@@H]2CCCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1C ZINC000464771302 1118681296 /nfs/dbraw/zinc/68/12/96/1118681296.db2.gz CZGZJRCPXSUQJK-IBGZPJMESA-N 1 0 367.449 4.038 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000464762045 1118684188 /nfs/dbraw/zinc/68/41/88/1118684188.db2.gz ICZDEOLPKNFHMV-MRXNPFEDSA-N 1 0 358.463 4.088 20 5 FIBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464836322 1118710230 /nfs/dbraw/zinc/71/02/30/1118710230.db2.gz KFFMYBPLEOMWIX-QGZVFWFLSA-N 1 0 373.884 4.202 20 5 FIBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C)C[C@H]2c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000464841789 1118717732 /nfs/dbraw/zinc/71/77/32/1118717732.db2.gz XZHYATMQYGIAAY-YOEHRIQHSA-N 1 0 374.437 4.357 20 5 FIBDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000271751604 1118794670 /nfs/dbraw/zinc/79/46/70/1118794670.db2.gz KVQUOHBNEDCKDO-LBPRGKRZSA-N 1 0 373.840 4.448 20 5 FIBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000542314563 1118899583 /nfs/dbraw/zinc/89/95/83/1118899583.db2.gz LTNNOUXCUUXJQZ-ORAYPTAESA-N 1 0 360.385 4.183 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cc[nH]c(=O)c1 ZINC000549860615 1118945260 /nfs/dbraw/zinc/94/52/60/1118945260.db2.gz IPDOMMTZYOBWLD-LBPRGKRZSA-N 1 0 355.419 4.275 20 5 FIBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000491841757 1118986477 /nfs/dbraw/zinc/98/64/77/1118986477.db2.gz CAXYKABYTZPEBP-AWEZNQCLSA-N 1 0 370.840 4.263 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000492002138 1119001811 /nfs/dbraw/zinc/00/18/11/1119001811.db2.gz RWORZXRYRYSQSK-JBXOJTMHSA-N 1 0 355.413 4.006 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1OCCc2sccc21 ZINC000492023974 1119005047 /nfs/dbraw/zinc/00/50/47/1119005047.db2.gz NVKXPLLAAWHSCC-MGPLVRAMSA-N 1 0 352.843 4.102 20 5 FIBDRO CCOc1cc(CN2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000492466610 1119098527 /nfs/dbraw/zinc/09/85/27/1119098527.db2.gz ZEJBLFXVGNQNNO-VBKZILBWSA-N 1 0 374.412 4.095 20 5 FIBDRO CCOc1cc(C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)ccc1[N+](=O)[O-] ZINC000492611074 1119146159 /nfs/dbraw/zinc/14/61/59/1119146159.db2.gz YZZPVEOQZLQLMK-OAHLLOKOSA-N 1 0 366.421 4.030 20 5 FIBDRO CC(C)c1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000030959016 1119198189 /nfs/dbraw/zinc/19/81/89/1119198189.db2.gz DYSIXASJKJJVCJ-UHFFFAOYSA-N 1 0 355.438 4.179 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(c4ccon4)CC3)o2)cc1 ZINC000597227228 1119336085 /nfs/dbraw/zinc/33/60/85/1119336085.db2.gz BHCUDPGSOFEPCG-UHFFFAOYSA-N 1 0 353.378 4.222 20 5 FIBDRO O=[N+]([O-])c1ccc(CNC2CC[NH+](CC3CCCCC3)CC2)cc1Cl ZINC000761524205 1119407324 /nfs/dbraw/zinc/40/73/24/1119407324.db2.gz XXGSAYNHHWYECQ-UHFFFAOYSA-N 1 0 365.905 4.383 20 5 FIBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CN1Cc1ccccc1 ZINC000761526505 1119409911 /nfs/dbraw/zinc/40/99/11/1119409911.db2.gz FDENJPUGQSEMJT-YOEHRIQHSA-N 1 0 359.857 4.001 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761526566 1119410018 /nfs/dbraw/zinc/41/00/18/1119410018.db2.gz OWFKQDGSUPXMCJ-DNVCBOLYSA-N 1 0 373.884 4.248 20 5 FIBDRO CC(C)C[C@H](CCO)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493246282 1119433489 /nfs/dbraw/zinc/43/34/89/1119433489.db2.gz HJHMLUXGXKPRBO-LAUBAEHRSA-N 1 0 356.466 4.319 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCNc2ccccn2)c2ccccc2)c1 ZINC000493279332 1119438919 /nfs/dbraw/zinc/43/89/19/1119438919.db2.gz XRSCBVWPUXCADS-NRFANRHFSA-N 1 0 362.433 4.171 20 5 FIBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cccc(F)c1 ZINC000609193583 1119841019 /nfs/dbraw/zinc/84/10/19/1119841019.db2.gz OHWMESIIOZCPJE-UHFFFAOYSA-N 1 0 369.396 4.454 20 5 FIBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc(F)cc1F ZINC000609193380 1119841243 /nfs/dbraw/zinc/84/12/43/1119841243.db2.gz DPTQNXFKCMTJPU-UHFFFAOYSA-N 1 0 373.359 4.203 20 5 FIBDRO COc1cccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000494468359 1119870663 /nfs/dbraw/zinc/87/06/63/1119870663.db2.gz SJHDTCRAPGGCMO-LLVKDONJSA-N 1 0 354.328 4.473 20 5 FIBDRO COc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000494515390 1119884519 /nfs/dbraw/zinc/88/45/19/1119884519.db2.gz QAZXRZKAVLLGPX-LLVKDONJSA-N 1 0 354.328 4.473 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)C1CC1 ZINC000191861402 1119998882 /nfs/dbraw/zinc/99/88/82/1119998882.db2.gz TWQKACHDEOZVSN-VWPQPMDRSA-N 1 0 366.461 4.283 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)C1CC1 ZINC000191861390 1119998916 /nfs/dbraw/zinc/99/89/16/1119998916.db2.gz TWQKACHDEOZVSN-ONTIZHBOSA-N 1 0 366.461 4.283 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542495130 1120088380 /nfs/dbraw/zinc/08/83/80/1120088380.db2.gz RWPIFRYABQNMNZ-KUHUBIRLSA-N 1 0 360.454 4.226 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000495158810 1120516213 /nfs/dbraw/zinc/51/62/13/1120516213.db2.gz QFLSJGYINOTQKC-PKOBYXMFSA-N 1 0 369.465 4.003 20 5 FIBDRO Cn1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c(-c2ccccc2)n1 ZINC000193278152 1120649811 /nfs/dbraw/zinc/64/98/11/1120649811.db2.gz PXUDNODSOGTNGB-HXUWFJFHSA-N 1 0 362.433 4.163 20 5 FIBDRO CC(C)[NH+](CCSCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000762203930 1120784302 /nfs/dbraw/zinc/78/43/02/1120784302.db2.gz OQEGEONUBOVBFZ-UHFFFAOYSA-N 1 0 373.906 4.039 20 5 FIBDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000495428578 1120804544 /nfs/dbraw/zinc/80/45/44/1120804544.db2.gz YDRXTWYOUVRXKD-SBHAEUEKSA-N 1 0 360.498 4.489 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC1CC[NH+](C2CC2)CC1 ZINC000301083095 1120984554 /nfs/dbraw/zinc/98/45/54/1120984554.db2.gz NWGIKAMIWOWXPQ-UHFFFAOYSA-N 1 0 363.767 4.306 20 5 FIBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H](C)c1ccc(F)cc1 ZINC000552830249 1121297293 /nfs/dbraw/zinc/29/72/93/1121297293.db2.gz ZYIMXFQBZGEFSR-OAHLLOKOSA-N 1 0 373.428 4.454 20 5 FIBDRO CC(C)(C)[NH+]1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301112557 1121323070 /nfs/dbraw/zinc/32/30/70/1121323070.db2.gz VZMWMGOHRDMQSE-UHFFFAOYSA-N 1 0 356.264 4.032 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488076394 1121408836 /nfs/dbraw/zinc/40/88/36/1121408836.db2.gz MXWSYTOVEQVWRQ-DLBZAZTESA-N 1 0 368.481 4.234 20 5 FIBDRO CC(=O)c1cc(NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000553242064 1122040060 /nfs/dbraw/zinc/04/00/60/1122040060.db2.gz GYKFFCORQMRSMY-UHFFFAOYSA-N 1 0 367.449 4.395 20 5 FIBDRO CC(C)n1cc2c(n1)[C@@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CCC2 ZINC000765812308 1122098429 /nfs/dbraw/zinc/09/84/29/1122098429.db2.gz AHOMLQAFEUTJMZ-OALUTQOASA-N 1 0 368.481 4.361 20 5 FIBDRO CCOc1ccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1OCC ZINC000917134230 1122190799 /nfs/dbraw/zinc/19/07/99/1122190799.db2.gz MQRZPCJQKPKBNX-UHFFFAOYSA-N 1 0 358.438 4.033 20 5 FIBDRO CCOc1cc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301497337 1122192256 /nfs/dbraw/zinc/19/22/56/1122192256.db2.gz BSLNAMJYSAKYMS-UHFFFAOYSA-N 1 0 373.428 4.209 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCOc1cccc2cccnc21 ZINC000542699743 1122296185 /nfs/dbraw/zinc/29/61/85/1122296185.db2.gz JFPQWCFHBWGWPT-UHFFFAOYSA-N 1 0 351.406 4.010 20 5 FIBDRO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000917436407 1122303388 /nfs/dbraw/zinc/30/33/88/1122303388.db2.gz CHKKEBYDNZVNSQ-HNNXBMFYSA-N 1 0 350.422 4.203 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000556218007 1122735998 /nfs/dbraw/zinc/73/59/98/1122735998.db2.gz PBTYJFVVLHLWKA-GFCCVEGCSA-N 1 0 353.344 4.210 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000154972334 1122994070 /nfs/dbraw/zinc/99/40/70/1122994070.db2.gz DNMOJRXEIORWFA-GFCCVEGCSA-N 1 0 369.343 4.090 20 5 FIBDRO COC(=O)c1csc([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000556884488 1123160913 /nfs/dbraw/zinc/16/09/13/1123160913.db2.gz FBUUBKBNQJBMMH-ZDUSSCGKSA-N 1 0 362.451 4.116 20 5 FIBDRO Cc1nc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)[nH]c1C ZINC000920251200 1123420263 /nfs/dbraw/zinc/42/02/63/1123420263.db2.gz HSSRHSJPHICERX-UHFFFAOYSA-N 1 0 350.378 4.162 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)c1ccc(C(C)C)cc1 ZINC000609358375 1123689478 /nfs/dbraw/zinc/68/94/78/1123689478.db2.gz FZBCVKPKHRNKNV-UHFFFAOYSA-N 1 0 369.465 4.490 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2c(Cl)cccc2OC(F)F)cc1 ZINC000609578327 1123757925 /nfs/dbraw/zinc/75/79/25/1123757925.db2.gz GYUJQDYNACIQFT-UHFFFAOYSA-N 1 0 372.755 4.018 20 5 FIBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609600772 1123764903 /nfs/dbraw/zinc/76/49/03/1123764903.db2.gz QWUUFEJQRNSMOY-GASCZTMLSA-N 1 0 374.510 4.071 20 5 FIBDRO CCC(CC)(CO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000609707679 1123803899 /nfs/dbraw/zinc/80/38/99/1123803899.db2.gz RWVNEUDCLRPXAR-UHFFFAOYSA-N 1 0 357.454 4.003 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)c2cccc(F)c2)s1 ZINC000609708738 1123804513 /nfs/dbraw/zinc/80/45/13/1123804513.db2.gz UDDZPAWMPCSGDR-QGZVFWFLSA-N 1 0 372.421 4.286 20 5 FIBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000175403765 1123858616 /nfs/dbraw/zinc/85/86/16/1123858616.db2.gz VWONOWSMSPKXIN-UHFFFAOYSA-N 1 0 361.829 4.342 20 5 FIBDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000610001987 1123913257 /nfs/dbraw/zinc/91/32/57/1123913257.db2.gz ROEIIVKIJFVSAX-HOTGVXAUSA-N 1 0 368.433 4.148 20 5 FIBDRO Cc1c(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000237604243 1123993866 /nfs/dbraw/zinc/99/38/66/1123993866.db2.gz CHTSFOCMFCPVGK-UHFFFAOYSA-N 1 0 354.328 4.134 20 5 FIBDRO Cn1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(-c2ccccc2)n1 ZINC000179694816 1124032782 /nfs/dbraw/zinc/03/27/82/1124032782.db2.gz WNLZTNKSZPCATF-UHFFFAOYSA-N 1 0 362.433 4.160 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCOC3)o2)c(Cl)c1 ZINC000237816324 1124113487 /nfs/dbraw/zinc/11/34/87/1124113487.db2.gz IBTQMCWPXJXZTA-GFCCVEGCSA-N 1 0 350.802 4.024 20 5 FIBDRO CC(=O)Nc1cccc2c1CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C2 ZINC000615836111 1124128275 /nfs/dbraw/zinc/12/82/75/1124128275.db2.gz VOARVWIMSPMRLS-PTNGSMBKSA-N 1 0 365.433 4.015 20 5 FIBDRO CO[C@]1(C(F)(F)F)CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000615842165 1124134640 /nfs/dbraw/zinc/13/46/40/1124134640.db2.gz FEGMVQOEJMOUPX-LRFDDAOPSA-N 1 0 358.360 4.041 20 5 FIBDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)cc1F ZINC000153655451 1124183965 /nfs/dbraw/zinc/18/39/65/1124183965.db2.gz QUTKWTAJNBSQIW-ZDUSSCGKSA-N 1 0 362.401 4.382 20 5 FIBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273515511 1124188750 /nfs/dbraw/zinc/18/87/50/1124188750.db2.gz PEBMNOMFBMILEL-HZPDHXFCSA-N 1 0 350.415 4.148 20 5 FIBDRO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765849869 1124208965 /nfs/dbraw/zinc/20/89/65/1124208965.db2.gz SLFJQQHPYKBSKS-FOIQADDNSA-N 1 0 358.438 4.014 20 5 FIBDRO Nc1cc2oc3cc(=[NH+]c4cc[nH]c(=O)c4)ccc-3nc2c2ccccc12 ZINC001212281480 1124294454 /nfs/dbraw/zinc/29/44/54/1124294454.db2.gz AVRGCRABHPXKHU-WYMPLXKRSA-N 1 0 354.369 4.001 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000765879139 1124321581 /nfs/dbraw/zinc/32/15/81/1124321581.db2.gz JGWHVQKPYNQKEL-QVKFZJNVSA-N 1 0 350.418 4.441 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000765879141 1124321965 /nfs/dbraw/zinc/32/19/65/1124321965.db2.gz JGWHVQKPYNQKEL-YCRPNKLZSA-N 1 0 350.418 4.441 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2C)cc1[N+](=O)[O-] ZINC000181819343 1125143483 /nfs/dbraw/zinc/14/34/83/1125143483.db2.gz FGIRCPXHPQYJOC-ZDUSSCGKSA-N 1 0 361.829 4.154 20 5 FIBDRO NC(=O)c1ccc(C[NH2+][C@@H](CC2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181940141 1125188417 /nfs/dbraw/zinc/18/84/17/1125188417.db2.gz KMXGRMYZPYISNR-IBGZPJMESA-N 1 0 367.449 4.105 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000301750336 1125208974 /nfs/dbraw/zinc/20/89/74/1125208974.db2.gz UJPFVKKKRCNMDE-LBPRGKRZSA-N 1 0 366.874 4.029 20 5 FIBDRO C[C@H](O)[C@@](C)(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000618577763 1125209301 /nfs/dbraw/zinc/20/93/01/1125209301.db2.gz FCZBEBZMONPALP-WQTXXOFMSA-N 1 0 368.477 4.192 20 5 FIBDRO CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000182096383 1125236007 /nfs/dbraw/zinc/23/60/07/1125236007.db2.gz QJCRBNVUBCSNML-CYBMUJFWSA-N 1 0 373.478 4.045 20 5 FIBDRO CC[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000182155807 1125271905 /nfs/dbraw/zinc/27/19/05/1125271905.db2.gz FQRAJYSATRQKAB-GBESFXJTSA-N 1 0 362.376 4.444 20 5 FIBDRO Cc1cccn2cc(CC[NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)nc12 ZINC000618984866 1125410731 /nfs/dbraw/zinc/41/07/31/1125410731.db2.gz BJWPMASLTBUIDK-LJQANCHMSA-N 1 0 364.449 4.106 20 5 FIBDRO O=[N+]([O-])c1cccc2c(NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccnc21 ZINC000312697203 1125453801 /nfs/dbraw/zinc/45/38/01/1125453801.db2.gz RDDXIHDLYNNGBE-KRWDZBQOSA-N 1 0 362.433 4.077 20 5 FIBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000481387437 567876914 /nfs/dbraw/zinc/87/69/14/567876914.db2.gz BSRJNFDSDMZGLX-DIFFPNOSSA-N 1 0 352.793 4.253 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000481434952 567939681 /nfs/dbraw/zinc/93/96/81/567939681.db2.gz CGWCWXXOJRQIGE-DNVCBOLYSA-N 1 0 370.453 4.025 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000481548717 568050742 /nfs/dbraw/zinc/05/07/42/568050742.db2.gz ZOTSWTVCVJSCGP-KPZWWZAWSA-N 1 0 364.829 4.123 20 5 FIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000128607418 568072860 /nfs/dbraw/zinc/07/28/60/568072860.db2.gz IMPYSXORZOZQLV-UHFFFAOYSA-N 1 0 353.422 4.060 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481715109 568094107 /nfs/dbraw/zinc/09/41/07/568094107.db2.gz WRFMFPATUWFOEK-KKSFZXQISA-N 1 0 352.434 4.486 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OC ZINC000481835429 568146818 /nfs/dbraw/zinc/14/68/18/568146818.db2.gz ZNDHNGGDJHRKPR-HIFRSBDPSA-N 1 0 374.412 4.177 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCc3sc(Cl)cc32)n1 ZINC000568757856 568181879 /nfs/dbraw/zinc/18/18/79/568181879.db2.gz HNHAGFIDWRJBOL-RWMBFGLXSA-N 1 0 366.874 4.267 20 5 FIBDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000481928061 568189312 /nfs/dbraw/zinc/18/93/12/568189312.db2.gz QAKXAQQYQLMVTC-ZDUSSCGKSA-N 1 0 352.356 4.377 20 5 FIBDRO CC[C@@H]([NH2+]C[C@H](c1ccc(C)o1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000482016284 568230805 /nfs/dbraw/zinc/23/08/05/568230805.db2.gz LGDJWNKBRFLMRH-RTBURBONSA-N 1 0 357.454 4.374 20 5 FIBDRO Cc1ccccc1C[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000569072543 568270515 /nfs/dbraw/zinc/27/05/15/568270515.db2.gz CARPSGBYEOJLFO-QGZVFWFLSA-N 1 0 369.465 4.103 20 5 FIBDRO O=C(CC[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000569112314 568278012 /nfs/dbraw/zinc/27/80/12/568278012.db2.gz YIUWKJXEFBSVCP-KOMQPUFPSA-N 1 0 373.840 4.113 20 5 FIBDRO CC[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1c(C)noc1C ZINC000182412683 1125470216 /nfs/dbraw/zinc/47/02/16/1125470216.db2.gz OPIXEGXBILCLLL-INIZCTEOSA-N 1 0 370.409 4.138 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000430195212 1079864498 /nfs/dbraw/zinc/86/44/98/1079864498.db2.gz NIDWADUHGOQFPW-LLVKDONJSA-N 1 0 365.227 4.217 20 5 FIBDRO CSC[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000430200792 1079916909 /nfs/dbraw/zinc/91/69/09/1079916909.db2.gz XLDGQQWGOGVVHB-CYBMUJFWSA-N 1 0 363.508 4.293 20 5 FIBDRO COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000157513729 1079920481 /nfs/dbraw/zinc/92/04/81/1079920481.db2.gz BGXKZBUBNJGSNJ-IRXDYDNUSA-N 1 0 369.465 4.089 20 5 FIBDRO COc1cccc(N2CC[C@H](C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000157513899 1079923480 /nfs/dbraw/zinc/92/34/80/1079923480.db2.gz BGXKZBUBNJGSNJ-IAGOWNOFSA-N 1 0 369.465 4.089 20 5 FIBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000608836910 1079969720 /nfs/dbraw/zinc/96/97/20/1079969720.db2.gz YIYBXRFQESDIMK-HOTGVXAUSA-N 1 0 357.454 4.065 20 5 FIBDRO COc1ccc(C[C@@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cc1 ZINC000610215679 1079984651 /nfs/dbraw/zinc/98/46/51/1079984651.db2.gz UVEOKJLQMROOFV-INIZCTEOSA-N 1 0 358.413 4.197 20 5 FIBDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2cccc(OC)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157555822 1080013946 /nfs/dbraw/zinc/01/39/46/1080013946.db2.gz SNJIUOOAIYHLPW-KKSFZXQISA-N 1 0 369.465 4.171 20 5 FIBDRO C[C@@H]([NH2+]CCCn1cccn1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000126971817 1080044390 /nfs/dbraw/zinc/04/43/90/1080044390.db2.gz BPLRYDJLPVJPPC-CQSZACIVSA-N 1 0 356.451 4.261 20 5 FIBDRO C[C@H]([NH2+]CCc1ccc(Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000219755551 1080464935 /nfs/dbraw/zinc/46/49/35/1080464935.db2.gz IHGFKRQTLXYGST-JTQLQIEISA-N 1 0 355.257 4.312 20 5 FIBDRO Cc1cccc(C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC(C)C)c1 ZINC001167199030 1080829461 /nfs/dbraw/zinc/82/94/61/1080829461.db2.gz CYFUDZQPPFTUNO-UHFFFAOYSA-N 1 0 369.465 4.308 20 5 FIBDRO COC[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(C)C ZINC000610271231 1080987272 /nfs/dbraw/zinc/98/72/72/1080987272.db2.gz RHSICYFPQDPSAB-QGZVFWFLSA-N 1 0 362.401 4.287 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3C[C@@H]3Cc3ccccc3)cs2)c1 ZINC000610271241 1080988730 /nfs/dbraw/zinc/98/87/30/1080988730.db2.gz SXAODFUBUQIGLV-LPHOPBHVSA-N 1 0 365.458 4.439 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000255073946 1081097224 /nfs/dbraw/zinc/09/72/24/1081097224.db2.gz HFLNQNALOWIKEZ-YTFAOPSNSA-N 1 0 358.463 4.258 20 5 FIBDRO Cc1cnc(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000610283860 1081206003 /nfs/dbraw/zinc/20/60/03/1081206003.db2.gz IOHFXSVJJYYRQH-KRWDZBQOSA-N 1 0 360.845 4.201 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCCC4(CCOCC4)C3)o2)c1 ZINC000560543428 1081427273 /nfs/dbraw/zinc/42/72/73/1081427273.db2.gz GMAXZBXFOQKNIG-UHFFFAOYSA-N 1 0 356.422 4.247 20 5 FIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC001167333538 1081456045 /nfs/dbraw/zinc/45/60/45/1081456045.db2.gz XNBNWSPBNBWETA-IBGZPJMESA-N 1 0 354.450 4.318 20 5 FIBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000610370258 1081553502 /nfs/dbraw/zinc/55/35/02/1081553502.db2.gz WKFSWQUMMLJWOD-UHFFFAOYSA-N 1 0 362.470 4.035 20 5 FIBDRO C[C@@](CO)([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCCC1 ZINC000610089361 1081563847 /nfs/dbraw/zinc/56/38/47/1081563847.db2.gz RBUZPHOCGNKWQQ-FQEVSTJZSA-N 1 0 358.438 4.276 20 5 FIBDRO COCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000580205353 1081747309 /nfs/dbraw/zinc/74/73/09/1081747309.db2.gz CBJIITZZXQJBOZ-KBPBESRZSA-N 1 0 364.467 4.025 20 5 FIBDRO Cc1c(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000379652726 1081842972 /nfs/dbraw/zinc/84/29/72/1081842972.db2.gz XUNUPXPIQXZDGJ-OXJNMPFZSA-N 1 0 353.466 4.046 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000050273588 1081987102 /nfs/dbraw/zinc/98/71/02/1081987102.db2.gz QFBGFQCEOQNUSU-IBGZPJMESA-N 1 0 373.840 4.236 20 5 FIBDRO C[C@@](CO)([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCCCC1 ZINC000580584728 1082029958 /nfs/dbraw/zinc/02/99/58/1082029958.db2.gz BSTSCHZHROGKGT-INIZCTEOSA-N 1 0 360.376 4.035 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000156716771 1082239590 /nfs/dbraw/zinc/23/95/90/1082239590.db2.gz TWEHYHWBPHUPOC-HZPDHXFCSA-N 1 0 367.449 4.442 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000156716235 1082239630 /nfs/dbraw/zinc/23/96/30/1082239630.db2.gz QLGQXYWTPXIJNE-CVEARBPZSA-N 1 0 367.449 4.442 20 5 FIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)cc1N(C)C ZINC000580975646 1082263560 /nfs/dbraw/zinc/26/35/60/1082263560.db2.gz CFHGKUGHOIUUGE-ZDUSSCGKSA-N 1 0 370.428 4.175 20 5 FIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000580981306 1082266198 /nfs/dbraw/zinc/26/61/98/1082266198.db2.gz CBHVLDLJBJRNAX-GUYCJALGSA-N 1 0 374.441 4.001 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)cccc1[N+](=O)[O-] ZINC000157014270 1082426752 /nfs/dbraw/zinc/42/67/52/1082426752.db2.gz DNVSZFPAUKDRPM-HUUCEWRRSA-N 1 0 369.421 4.272 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000177964271 1082438596 /nfs/dbraw/zinc/43/85/96/1082438596.db2.gz QZBBMALYLYHAQG-HXUWFJFHSA-N 1 0 369.465 4.062 20 5 FIBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000610505274 1082549998 /nfs/dbraw/zinc/54/99/98/1082549998.db2.gz DYXDLIMFCITRLT-LJQANCHMSA-N 1 0 353.422 4.007 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](F)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000581432667 1082573313 /nfs/dbraw/zinc/57/33/13/1082573313.db2.gz GRLVWBPHWXFHLW-IAGOWNOFSA-N 1 0 374.412 4.163 20 5 FIBDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000610581803 1082578197 /nfs/dbraw/zinc/57/81/97/1082578197.db2.gz NVMQDVWGQKQDEZ-INIZCTEOSA-N 1 0 351.406 4.252 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)cc1[N+](=O)[O-] ZINC000178072487 1082678259 /nfs/dbraw/zinc/67/82/59/1082678259.db2.gz PVBBVMQETIZBED-OAHLLOKOSA-N 1 0 362.813 4.260 20 5 FIBDRO COc1ccc(C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000051132258 1082736405 /nfs/dbraw/zinc/73/64/05/1082736405.db2.gz UJHYDMFCVYLCPC-WIYYLYMNSA-N 1 0 370.449 4.203 20 5 FIBDRO COc1cccc(C2(C[NH2+][C@H](C)CCc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000581733095 1082850791 /nfs/dbraw/zinc/85/07/91/1082850791.db2.gz JOLPNPZENWDSHQ-MRXNPFEDSA-N 1 0 354.450 4.246 20 5 FIBDRO Cc1ccc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC001167482242 1082878953 /nfs/dbraw/zinc/87/89/53/1082878953.db2.gz HPFAXDCIPIUWAC-IBGZPJMESA-N 1 0 367.449 4.459 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510473143 1082967137 /nfs/dbraw/zinc/96/71/37/1082967137.db2.gz PSOOYRPPTNTGGI-YJBOKZPZSA-N 1 0 350.422 4.261 20 5 FIBDRO CCC[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178233236 1083000866 /nfs/dbraw/zinc/00/08/66/1083000866.db2.gz RTVQGLMRLNLREQ-NRFANRHFSA-N 1 0 368.481 4.085 20 5 FIBDRO Cc1ccc(Sc2ccc(C[N@H+](C)CCCCO)cc2[N+](=O)[O-])cc1 ZINC000471823753 1083066109 /nfs/dbraw/zinc/06/61/09/1083066109.db2.gz ZASYQCWSRKJSAW-UHFFFAOYSA-N 1 0 360.479 4.259 20 5 FIBDRO C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1cccc(F)c1 ZINC000610582288 1083213073 /nfs/dbraw/zinc/21/30/73/1083213073.db2.gz BMMGTKLCKQXPQU-BLVKFPJESA-N 1 0 355.369 4.458 20 5 FIBDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000610741174 1083401638 /nfs/dbraw/zinc/40/16/38/1083401638.db2.gz SWPCKBMVUCZTTB-STQMWFEESA-N 1 0 364.829 4.413 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000179408704 1083453250 /nfs/dbraw/zinc/45/32/50/1083453250.db2.gz YAJHDFDLWWYHBA-CHWSQXEVSA-N 1 0 359.382 4.314 20 5 FIBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000179503803 1083512931 /nfs/dbraw/zinc/51/29/31/1083512931.db2.gz HNVZSXZQNLMWTL-IRXDYDNUSA-N 1 0 352.793 4.162 20 5 FIBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 ZINC000535698146 1083586729 /nfs/dbraw/zinc/58/67/29/1083586729.db2.gz GMFBOXBIVNUQIR-UHFFFAOYSA-N 1 0 366.421 4.170 20 5 FIBDRO CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167135910 1083623844 /nfs/dbraw/zinc/62/38/44/1083623844.db2.gz VSMYRIKIWHQLKJ-MRXNPFEDSA-N 1 0 358.438 4.169 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)o2)cc1 ZINC000535809812 1083698144 /nfs/dbraw/zinc/69/81/44/1083698144.db2.gz JUXGRVNFKIFBJB-IRXDYDNUSA-N 1 0 356.422 4.103 20 5 FIBDRO CCC[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610799271 1083708515 /nfs/dbraw/zinc/70/85/15/1083708515.db2.gz MIMNSOBMDJSZLW-GOSISDBHSA-N 1 0 361.486 4.063 20 5 FIBDRO O=[N+]([O-])c1sccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000610808053 1083717818 /nfs/dbraw/zinc/71/78/18/1083717818.db2.gz YBNIISUKXWAFJG-IRXDYDNUSA-N 1 0 357.479 4.147 20 5 FIBDRO COc1ccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2c1 ZINC000610817751 1083747625 /nfs/dbraw/zinc/74/76/25/1083747625.db2.gz SMMCBJZWOPSGHI-AWEZNQCLSA-N 1 0 353.422 4.286 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610821876 1083748650 /nfs/dbraw/zinc/74/86/50/1083748650.db2.gz HIAKMTUZXDDBKP-UXHICEINSA-N 1 0 350.422 4.274 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000610821897 1083749563 /nfs/dbraw/zinc/74/95/63/1083749563.db2.gz OIHIBYWYQXAXRP-OXJNMPFZSA-N 1 0 350.422 4.192 20 5 FIBDRO CCc1ccc([C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612407807 1083776127 /nfs/dbraw/zinc/77/61/27/1083776127.db2.gz NSDZXTJWUFYITN-HGHGUNKESA-N 1 0 369.465 4.056 20 5 FIBDRO COCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000167633209 1083929854 /nfs/dbraw/zinc/92/98/54/1083929854.db2.gz XBJFWZHKHCNTOG-INIZCTEOSA-N 1 0 358.438 4.088 20 5 FIBDRO CC[C@H]([NH2+][C@@H](Cc1nc(C)no1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000277209847 1084019730 /nfs/dbraw/zinc/01/97/30/1084019730.db2.gz WLHPYQSAZKZYKN-OALUTQOASA-N 1 0 366.421 4.311 20 5 FIBDRO Cc1ccc([C@H](C)C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000611560904 1084086518 /nfs/dbraw/zinc/08/65/18/1084086518.db2.gz BPRSVKDPBNHIPR-OXQOHEQNSA-N 1 0 364.449 4.119 20 5 FIBDRO C[C@@H](CCO)C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC000538445069 1084098097 /nfs/dbraw/zinc/09/80/97/1084098097.db2.gz CCFGBXFMGZSBLO-HNNXBMFYSA-N 1 0 358.438 4.133 20 5 FIBDRO C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000158088128 1084387440 /nfs/dbraw/zinc/38/74/40/1084387440.db2.gz DFWJGULRFSTYIG-GJZGRUSLSA-N 1 0 359.495 4.316 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000580282899 1084403223 /nfs/dbraw/zinc/40/32/23/1084403223.db2.gz PWMLDYLIQXBXBW-HNNXBMFYSA-N 1 0 354.454 4.068 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000539246704 1084435087 /nfs/dbraw/zinc/43/50/87/1084435087.db2.gz PAELKHMMWBLDRX-SWLSCSKDSA-N 1 0 361.829 4.316 20 5 FIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(OCC(F)(F)F)cc1 ZINC000511059543 1084517103 /nfs/dbraw/zinc/51/71/03/1084517103.db2.gz NGWSEHHZURJTKS-UHFFFAOYSA-N 1 0 368.355 4.210 20 5 FIBDRO CCOc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1OCC ZINC000511061760 1084530689 /nfs/dbraw/zinc/53/06/89/1084530689.db2.gz BGYQVGYSYFYQTE-UHFFFAOYSA-N 1 0 358.438 4.067 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)n1 ZINC000581744096 1084578796 /nfs/dbraw/zinc/57/87/96/1084578796.db2.gz DJYDZVRDGDCQSS-TUVASFSCSA-N 1 0 374.407 4.233 20 5 FIBDRO CC(=O)c1cc(N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000582459074 1084695783 /nfs/dbraw/zinc/69/57/83/1084695783.db2.gz WHFCURMRJIGRHD-VBKZILBWSA-N 1 0 355.438 4.209 20 5 FIBDRO C[NH+](C)Cc1cccc(CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)c1 ZINC000563263555 1084697414 /nfs/dbraw/zinc/69/74/14/1084697414.db2.gz HASHQKGBPDBRKO-KRWDZBQOSA-N 1 0 367.371 4.050 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1O ZINC000478205096 1084924495 /nfs/dbraw/zinc/92/44/95/1084924495.db2.gz ZTLFCFFWSNKYPD-KRWDZBQOSA-N 1 0 372.396 4.174 20 5 FIBDRO Cc1cccc(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)c1[N+](=O)[O-] ZINC000158296327 1084992319 /nfs/dbraw/zinc/99/23/19/1084992319.db2.gz ZBKSWKKCYWYTSN-UHFFFAOYSA-N 1 0 353.422 4.127 20 5 FIBDRO C[C@@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000290195762 1085011672 /nfs/dbraw/zinc/01/16/72/1085011672.db2.gz SQMNHSBUYYLSDJ-QRWLVFNGSA-N 1 0 352.434 4.340 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(C)(C)O1 ZINC000180368156 1085077037 /nfs/dbraw/zinc/07/70/37/1085077037.db2.gz BCNGTPOMXYESCN-OAHLLOKOSA-N 1 0 361.467 4.154 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CC2CCC2)c2ccccc2)c2c(c1)COCO2 ZINC000180370580 1085077274 /nfs/dbraw/zinc/07/72/74/1085077274.db2.gz FUOKSKGVGDYMFG-FQEVSTJZSA-N 1 0 368.433 4.482 20 5 FIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479096581 1085088222 /nfs/dbraw/zinc/08/82/22/1085088222.db2.gz GQAMPMJHZIQBOP-KBXCAEBGSA-N 1 0 364.405 4.023 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c2ccccc2n1 ZINC000124906157 1085198294 /nfs/dbraw/zinc/19/82/94/1085198294.db2.gz JFCATXIDTSTHJD-AWEZNQCLSA-N 1 0 351.406 4.311 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000479539318 1085203771 /nfs/dbraw/zinc/20/37/71/1085203771.db2.gz RKXBFNGBFSWJDM-DKIMLUQUSA-N 1 0 374.872 4.464 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] ZINC000479872327 1085326551 /nfs/dbraw/zinc/32/65/51/1085326551.db2.gz JFCUJDYZWIEOLA-MAUKXSAKSA-N 1 0 359.495 4.452 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3c2cccc3Br)c(F)c1 ZINC000479880908 1085328874 /nfs/dbraw/zinc/32/88/74/1085328874.db2.gz ALLNDNXKXNUGAA-MRXNPFEDSA-N 1 0 365.202 4.274 20 5 FIBDRO COc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000549535293 1085439616 /nfs/dbraw/zinc/43/96/16/1085439616.db2.gz AHQQFLCZYQWOEM-NSHDSACASA-N 1 0 354.328 4.473 20 5 FIBDRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178646090 1085557208 /nfs/dbraw/zinc/55/72/08/1085557208.db2.gz GYCQDQUIVBDVAQ-CABCVRRESA-N 1 0 355.438 4.430 20 5 FIBDRO C[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000178654677 1085678806 /nfs/dbraw/zinc/67/88/06/1085678806.db2.gz UDSYPXGVSYUTEA-LBPRGKRZSA-N 1 0 372.812 4.192 20 5 FIBDRO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178679371 1085771248 /nfs/dbraw/zinc/77/12/48/1085771248.db2.gz CUMUTUXIZXYRAG-JKSUJKDBSA-N 1 0 355.438 4.198 20 5 FIBDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000178680006 1085778125 /nfs/dbraw/zinc/77/81/25/1085778125.db2.gz FWNQNISSTICIRL-HZPDHXFCSA-N 1 0 355.438 4.198 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(Cc2ccccc2)c1 ZINC000178686592 1085813241 /nfs/dbraw/zinc/81/32/41/1085813241.db2.gz ONIRFYGBTJAGOL-HOTGVXAUSA-N 1 0 350.422 4.251 20 5 FIBDRO COc1cc([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)ccc1F ZINC000582869140 1085856631 /nfs/dbraw/zinc/85/66/31/1085856631.db2.gz RMNUOBPWTNUCMN-GFCCVEGCSA-N 1 0 357.385 4.117 20 5 FIBDRO COc1ccc([C@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c(C)c1OC ZINC000582974535 1085980258 /nfs/dbraw/zinc/98/02/58/1085980258.db2.gz FAWNLKOVSYIPCI-GUYCJALGSA-N 1 0 356.422 4.259 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000544607593 1086044897 /nfs/dbraw/zinc/04/48/97/1086044897.db2.gz FCYLRGTWPVOIDQ-UHFFFAOYSA-N 1 0 374.868 4.395 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000514894153 1086331493 /nfs/dbraw/zinc/33/14/93/1086331493.db2.gz OVNRPDPMSIRTQU-STQMWFEESA-N 1 0 368.462 4.255 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CCCOC4)s2)cc1 ZINC000585767997 1086694141 /nfs/dbraw/zinc/69/41/41/1086694141.db2.gz QEYDGPOESNMCMC-LJQANCHMSA-N 1 0 358.463 4.326 20 5 FIBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)o2)c([N+](=O)[O-])c1 ZINC000585767818 1086695122 /nfs/dbraw/zinc/69/51/22/1086695122.db2.gz DZPKAGTWVINIFZ-XLIONFOSSA-N 1 0 372.421 4.007 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc([S@@](C)=O)cc1 ZINC000279079913 1086789580 /nfs/dbraw/zinc/78/95/80/1086789580.db2.gz MMBHQYSFKJYZHF-PNRGOVPLSA-N 1 0 372.490 4.405 20 5 FIBDRO CCCC(=O)Nc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000158892880 1087523940 /nfs/dbraw/zinc/52/39/40/1087523940.db2.gz FRGJVPZZEDBPRT-OAHLLOKOSA-N 1 0 355.438 4.493 20 5 FIBDRO COc1cccc(C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c1 ZINC000102420017 1087695259 /nfs/dbraw/zinc/69/52/59/1087695259.db2.gz FWQAEHYGCLKQMZ-UHFFFAOYSA-N 1 0 368.389 4.162 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000472357976 1087783025 /nfs/dbraw/zinc/78/30/25/1087783025.db2.gz DGLLIFQKGSXHGF-XOBRGWDASA-N 1 0 371.412 4.064 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CC34CC4)o2)c(Br)c1 ZINC000424187354 1087830337 /nfs/dbraw/zinc/83/03/37/1087830337.db2.gz VLBOKPXTXQNJMJ-HNNXBMFYSA-N 1 0 363.211 4.259 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000504922111 1087974275 /nfs/dbraw/zinc/97/42/75/1087974275.db2.gz XQRBIYKROLYSDQ-AWEZNQCLSA-N 1 0 353.422 4.368 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000504911611 1087980485 /nfs/dbraw/zinc/98/04/85/1087980485.db2.gz IYCYYJDZLXVUIK-FUHWJXTLSA-N 1 0 369.465 4.313 20 5 FIBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000180903806 1088159573 /nfs/dbraw/zinc/15/95/73/1088159573.db2.gz MKHVQGLTQBUUIU-QVKFZJNVSA-N 1 0 363.417 4.041 20 5 FIBDRO CC(C)c1ccc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000189631346 1088556673 /nfs/dbraw/zinc/55/66/73/1088556673.db2.gz CULQMDYOFVAFOA-WMLDXEAASA-N 1 0 374.403 4.291 20 5 FIBDRO COc1ccc(Br)cc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178651704 1088657572 /nfs/dbraw/zinc/65/75/72/1088657572.db2.gz DOWFZWSMSGKNOS-NSHDSACASA-N 1 0 365.227 4.217 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000480701819 1088700441 /nfs/dbraw/zinc/70/04/41/1088700441.db2.gz VOXDLMFVNMLBFV-LJQANCHMSA-N 1 0 354.454 4.221 20 5 FIBDRO C[C@H]1CC[N@H+](C)CCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000514105440 1088753313 /nfs/dbraw/zinc/75/33/13/1088753313.db2.gz RHVOIWVSNOOUQR-HNNXBMFYSA-N 1 0 373.428 4.052 20 5 FIBDRO CO[C@](C)([C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000414500560 1088811669 /nfs/dbraw/zinc/81/16/69/1088811669.db2.gz LXMUNDDJJZFQIR-KPZWWZAWSA-N 1 0 361.467 4.012 20 5 FIBDRO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000434622074 1088841321 /nfs/dbraw/zinc/84/13/21/1088841321.db2.gz AFBPQEPBMXXJGH-LJQANCHMSA-N 1 0 356.401 4.439 20 5 FIBDRO COc1cc(OC)cc(C2(F)CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000549118790 1088857516 /nfs/dbraw/zinc/85/75/16/1088857516.db2.gz WSWPFULTNCJIDB-UHFFFAOYSA-N 1 0 374.412 4.073 20 5 FIBDRO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000434618621 1088867355 /nfs/dbraw/zinc/86/73/55/1088867355.db2.gz PAUGPZXLVFFTTO-IBGZPJMESA-N 1 0 374.412 4.430 20 5 FIBDRO C[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000311853293 1088884992 /nfs/dbraw/zinc/88/49/92/1088884992.db2.gz WHHCHDLKXLQKPI-DYESRHJHSA-N 1 0 353.466 4.158 20 5 FIBDRO C[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000414859928 1088972670 /nfs/dbraw/zinc/97/26/70/1088972670.db2.gz UZXSEKXKLBUMNZ-HOCLYGCPSA-N 1 0 373.428 4.004 20 5 FIBDRO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1c1ccccc1 ZINC000435027211 1089222964 /nfs/dbraw/zinc/22/29/64/1089222964.db2.gz LKKMAZCULYHXPA-YOEHRIQHSA-N 1 0 351.406 4.362 20 5 FIBDRO C[C@]1(c2ccccc2)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000435064076 1089255425 /nfs/dbraw/zinc/25/54/25/1089255425.db2.gz MGMGRWFWRBXKKE-FQEVSTJZSA-N 1 0 351.406 4.290 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000415308501 1089417134 /nfs/dbraw/zinc/41/71/34/1089417134.db2.gz ZXKFSKDHKPHDGW-KRWDZBQOSA-N 1 0 370.453 4.157 20 5 FIBDRO COc1cccc([C@@H](C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)N(C)C)c1 ZINC000517524854 1089732024 /nfs/dbraw/zinc/73/20/24/1089732024.db2.gz ISGOLDAUALDXNW-OAQYLSRUSA-N 1 0 371.481 4.119 20 5 FIBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000515105993 1089783439 /nfs/dbraw/zinc/78/34/39/1089783439.db2.gz CLRPWLPXGSPJKJ-IBGZPJMESA-N 1 0 370.453 4.108 20 5 FIBDRO Cc1c(C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)cccc1[N+](=O)[O-] ZINC000435781177 1089942603 /nfs/dbraw/zinc/94/26/03/1089942603.db2.gz IMSXVXMXMLZTGF-UHFFFAOYSA-N 1 0 362.433 4.356 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](c1cccc(F)c1)N(C)C ZINC000468641007 1090004415 /nfs/dbraw/zinc/00/44/15/1090004415.db2.gz YINYYRZNBCDGKI-CKOFDZGGSA-N 1 0 357.429 4.030 20 5 FIBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc21 ZINC000378404302 1090350682 /nfs/dbraw/zinc/35/06/82/1090350682.db2.gz PFFPFFVVURQDDS-KDOFPFPSSA-N 1 0 353.422 4.052 20 5 FIBDRO CCc1nn(C)c(CC)c1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417308639 1090800682 /nfs/dbraw/zinc/80/06/82/1090800682.db2.gz HWSUBQPPLMGEMK-IBGZPJMESA-N 1 0 356.470 4.010 20 5 FIBDRO C[S@@](=O)Cc1ccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417332707 1090821871 /nfs/dbraw/zinc/82/18/71/1090821871.db2.gz OLJNIRFNZOITCM-RXFWQSSRSA-N 1 0 372.490 4.031 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@@H](c3ccncc3)C1)CCCC2 ZINC000417350184 1090829773 /nfs/dbraw/zinc/82/97/73/1090829773.db2.gz ORVAAMFMSMOAIR-IOMROCGXSA-N 1 0 367.449 4.267 20 5 FIBDRO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000500098156 1091037392 /nfs/dbraw/zinc/03/73/92/1091037392.db2.gz OOJQGVDENZEYAA-KDOFPFPSSA-N 1 0 371.437 4.298 20 5 FIBDRO COc1ccc(C[NH2+]C[C@H]2CC23CC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000418103768 1091064746 /nfs/dbraw/zinc/06/47/46/1091064746.db2.gz WIDOGSRBQDXMAN-QGZVFWFLSA-N 1 0 368.433 4.072 20 5 FIBDRO CN(C(=O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000053644129 1091282190 /nfs/dbraw/zinc/28/21/90/1091282190.db2.gz POGBBWMEFPNIGG-IBGZPJMESA-N 1 0 373.428 4.074 20 5 FIBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C2CC2)c1 ZINC000759850413 1091326298 /nfs/dbraw/zinc/32/62/98/1091326298.db2.gz HSTLBJXNMVNTIY-SFHVURJKSA-N 1 0 364.804 4.085 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000512197141 1091890984 /nfs/dbraw/zinc/89/09/84/1091890984.db2.gz SKDWRPUEZAHDHB-ZWQQMPCFSA-N 1 0 357.498 4.194 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000512221020 1091923936 /nfs/dbraw/zinc/92/39/36/1091923936.db2.gz WARCYCFGGCQXQT-MRXNPFEDSA-N 1 0 355.221 4.115 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCCC[C@H]3OC(F)F)o2)cc1 ZINC000500508320 1092169187 /nfs/dbraw/zinc/16/91/87/1092169187.db2.gz NQVVUCIMHSDODJ-NVXWUHKLSA-N 1 0 366.364 4.495 20 5 FIBDRO COc1ccc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000520931625 1092370679 /nfs/dbraw/zinc/37/06/79/1092370679.db2.gz KMTDYEAMCVIMDX-UHFFFAOYSA-N 1 0 352.390 4.196 20 5 FIBDRO C[C@@H](CN(C)C)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000521600838 1092779149 /nfs/dbraw/zinc/77/91/49/1092779149.db2.gz PODOQYYOGIQHHO-ZDUSSCGKSA-N 1 0 363.845 4.080 20 5 FIBDRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000521587946 1092783196 /nfs/dbraw/zinc/78/31/96/1092783196.db2.gz LKGLDSFGHOBWTK-UHFFFAOYSA-N 1 0 353.422 4.223 20 5 FIBDRO CSc1ccccc1[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000442880665 1092835950 /nfs/dbraw/zinc/83/59/50/1092835950.db2.gz ZGJUTYSOTFMSJC-KGLIPLIRSA-N 1 0 373.478 4.385 20 5 FIBDRO C[N@H+](CCSc1ccc([N+](=O)[O-])c2cccnc12)Cc1ccccc1 ZINC000432943957 1092971980 /nfs/dbraw/zinc/97/19/80/1092971980.db2.gz KMVYPJOVLGLGIA-UHFFFAOYSA-N 1 0 353.447 4.367 20 5 FIBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000439127033 1092979347 /nfs/dbraw/zinc/97/93/47/1092979347.db2.gz HODSLVDRSXTNAZ-YVEFUNNKSA-N 1 0 365.380 4.300 20 5 FIBDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])CCO2 ZINC000614160871 1093017491 /nfs/dbraw/zinc/01/74/91/1093017491.db2.gz ORPVJKITNXCDDA-DNVCBOLYSA-N 1 0 370.449 4.428 20 5 FIBDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])CCO2 ZINC000614160870 1093018444 /nfs/dbraw/zinc/01/84/44/1093018444.db2.gz ORPVJKITNXCDDA-BEFAXECRSA-N 1 0 370.449 4.428 20 5 FIBDRO CC1(C)C[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433127413 1093310542 /nfs/dbraw/zinc/31/05/42/1093310542.db2.gz SMCBVGLZQMDKKP-FQEVSTJZSA-N 1 0 362.433 4.293 20 5 FIBDRO CN(C)[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000433141537 1093325894 /nfs/dbraw/zinc/32/58/94/1093325894.db2.gz AKZKSISAWAIKLW-MSOLQXFVSA-N 1 0 359.495 4.271 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccnc(N3CCCC3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433153257 1093339568 /nfs/dbraw/zinc/33/95/68/1093339568.db2.gz VLZKKJPOLVOSOZ-LJQANCHMSA-N 1 0 366.465 4.102 20 5 FIBDRO CC1(C)C[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433153256 1093340165 /nfs/dbraw/zinc/34/01/65/1093340165.db2.gz VLZKKJPOLVOSOZ-IBGZPJMESA-N 1 0 366.465 4.102 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000433199061 1093407620 /nfs/dbraw/zinc/40/76/20/1093407620.db2.gz JNEFWZGJUJIQKZ-YVLHZVERSA-N 1 0 366.461 4.144 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000474143720 1093446129 /nfs/dbraw/zinc/44/61/29/1093446129.db2.gz VCIUVIKVZZYTBW-UHFFFAOYSA-N 1 0 369.465 4.339 20 5 FIBDRO COCC[C@@H](Cc1ccco1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433226642 1093450287 /nfs/dbraw/zinc/45/02/87/1093450287.db2.gz HMUFSXWLEUUNAO-LIRRHRJNSA-N 1 0 358.438 4.148 20 5 FIBDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)on1 ZINC000509828669 1093465782 /nfs/dbraw/zinc/46/57/82/1093465782.db2.gz UWIFGELMTCYSQX-KRWDZBQOSA-N 1 0 353.378 4.488 20 5 FIBDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000512885723 1093502530 /nfs/dbraw/zinc/50/25/30/1093502530.db2.gz SWCHCTHGOMSONF-SJLPKXTDSA-N 1 0 369.465 4.125 20 5 FIBDRO CC1(C)C[C@H]([NH2+][C@H](CCCO)c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433277855 1093519756 /nfs/dbraw/zinc/51/97/56/1093519756.db2.gz BJMQIHGSDPAPEY-UXHICEINSA-N 1 0 354.450 4.421 20 5 FIBDRO C[C@H](O)C[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000433280881 1093524783 /nfs/dbraw/zinc/52/47/83/1093524783.db2.gz GFFMZRAGYRLALB-HZUJVAHNSA-N 1 0 368.477 4.462 20 5 FIBDRO Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000474212775 1093585375 /nfs/dbraw/zinc/58/53/75/1093585375.db2.gz ONBUNQIEEQHKEJ-FQEVSTJZSA-N 1 0 367.449 4.012 20 5 FIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(C2CC2)cc1 ZINC000419344262 1093709391 /nfs/dbraw/zinc/70/93/91/1093709391.db2.gz RPSOWBWOFPXJAP-CQSZACIVSA-N 1 0 353.422 4.152 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CC(C)(C)C[C@H](C)O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542495129 1093722328 /nfs/dbraw/zinc/72/23/28/1093722328.db2.gz RWPIFRYABQNMNZ-IFXJQAMLSA-N 1 0 360.454 4.226 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCSC[C@H]3C3CCC3)o2)c1 ZINC000419375781 1093814035 /nfs/dbraw/zinc/81/40/35/1093814035.db2.gz RAFDJKKCUKWBBP-KRWDZBQOSA-N 1 0 373.478 4.010 20 5 FIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000052611823 1093837240 /nfs/dbraw/zinc/83/72/40/1093837240.db2.gz ASFYZFCRDFFMPN-CYBMUJFWSA-N 1 0 355.369 4.255 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)s1 ZINC000513123134 1093861363 /nfs/dbraw/zinc/86/13/63/1093861363.db2.gz RVRFOMBACXTDCO-OAHLLOKOSA-N 1 0 368.462 4.357 20 5 FIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(O[C@@H]2CCOC2)c1 ZINC000120587034 1093888043 /nfs/dbraw/zinc/88/80/43/1093888043.db2.gz ILRUVLUZGUHKLU-VQIMIIECSA-N 1 0 370.449 4.230 20 5 FIBDRO COc1ccccc1O[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000513367755 1094083278 /nfs/dbraw/zinc/08/32/78/1094083278.db2.gz RLBSUETUUNWFKO-YJBOKZPZSA-N 1 0 356.422 4.208 20 5 FIBDRO CN(C)[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccco1 ZINC000237030591 1094541542 /nfs/dbraw/zinc/54/15/42/1094541542.db2.gz ASASQZABHPQQKX-QGZVFWFLSA-N 1 0 371.462 4.309 20 5 FIBDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000509945392 1094714550 /nfs/dbraw/zinc/71/45/50/1094714550.db2.gz SIOHQAOJKGDKII-KRWDZBQOSA-N 1 0 368.462 4.224 20 5 FIBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000413233269 1094764970 /nfs/dbraw/zinc/76/49/70/1094764970.db2.gz CRUGBYBBHAQPMX-RYUDHWBXSA-N 1 0 372.391 4.074 20 5 FIBDRO CSc1ccccc1[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000502313358 1095365094 /nfs/dbraw/zinc/36/50/94/1095365094.db2.gz SMVMYFPELBIPIM-ZIAGYGMSSA-N 1 0 373.478 4.385 20 5 FIBDRO COc1cc(C[NH2+][C@H](c2ccc(F)cc2)C(C)C)c([N+](=O)[O-])cc1F ZINC000502539502 1095564007 /nfs/dbraw/zinc/56/40/07/1095564007.db2.gz FDNGXJPXZSTBDO-SFHVURJKSA-N 1 0 350.365 4.369 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CCCC2(O)CCC2)ccc1Oc1ccc(F)cc1 ZINC000421370296 1095567846 /nfs/dbraw/zinc/56/78/46/1095567846.db2.gz IGRKODFJAPOGAV-UHFFFAOYSA-N 1 0 374.412 4.311 20 5 FIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000127102387 1095926526 /nfs/dbraw/zinc/92/65/26/1095926526.db2.gz GUBLWJRKZHKLRX-UHFFFAOYSA-N 1 0 373.478 4.329 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000503410038 1096388205 /nfs/dbraw/zinc/38/82/05/1096388205.db2.gz YTIXCMIFVXLTMB-BFUOFWGJSA-N 1 0 373.840 4.020 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000503411794 1096390980 /nfs/dbraw/zinc/39/09/80/1096390980.db2.gz JMIXDNUGYNKXJC-YJYMSZOUSA-N 1 0 373.840 4.020 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000503926692 1096589615 /nfs/dbraw/zinc/58/96/15/1096589615.db2.gz GTJXFOTULPHPSA-AEFFLSMTSA-N 1 0 369.465 4.267 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000503926698 1096589620 /nfs/dbraw/zinc/58/96/20/1096589620.db2.gz GTJXFOTULPHPSA-WMZOPIPTSA-N 1 0 369.465 4.267 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(c4ccccc4)CC3)n2)cc1 ZINC000532900065 1098592475 /nfs/dbraw/zinc/59/24/75/1098592475.db2.gz JVMMVTDVGLHYKY-UHFFFAOYSA-N 1 0 364.405 4.024 20 5 FIBDRO CC[C@H](c1ccccc1)[N@H+](CC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000532935219 1098628084 /nfs/dbraw/zinc/62/80/84/1098628084.db2.gz WEGKADBUJAAQRM-LJQANCHMSA-N 1 0 355.438 4.031 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533020155 1098694871 /nfs/dbraw/zinc/69/48/71/1098694871.db2.gz CSIMOYVHBCUNFR-UHFFFAOYSA-N 1 0 368.824 4.414 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@@]3(CCSC3)C1)CCCC2 ZINC000515619460 1098769513 /nfs/dbraw/zinc/76/95/13/1098769513.db2.gz LVIKNKCGWWWEJI-LZQZEXGQSA-N 1 0 362.495 4.007 20 5 FIBDRO CCc1nc(C)c([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000515702306 1098846409 /nfs/dbraw/zinc/84/64/09/1098846409.db2.gz FCSMVYLHXNUQMC-LLVKDONJSA-N 1 0 358.467 4.297 20 5 FIBDRO CCN(Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000505790634 1098913313 /nfs/dbraw/zinc/91/33/13/1098913313.db2.gz ODYPRGROIRYNKV-WMZOPIPTSA-N 1 0 371.456 4.391 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](c1ccccc1)C(C)C ZINC000436466435 1099034284 /nfs/dbraw/zinc/03/42/84/1099034284.db2.gz QMYPZQQELFABCW-FQEVSTJZSA-N 1 0 355.438 4.171 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000533435035 1099054072 /nfs/dbraw/zinc/05/40/72/1099054072.db2.gz HYLFWBLEDRUPIH-HFTRVMKXSA-N 1 0 367.449 4.108 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000533435037 1099054633 /nfs/dbraw/zinc/05/46/33/1099054633.db2.gz HYLFWBLEDRUPIH-UWWQBHOKSA-N 1 0 367.449 4.108 20 5 FIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000533511769 1099117593 /nfs/dbraw/zinc/11/75/93/1099117593.db2.gz IGLFWSQGHOYVPZ-CKEIUWERSA-N 1 0 351.878 4.085 20 5 FIBDRO CSC[C@H](C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237368838 1099439558 /nfs/dbraw/zinc/43/95/58/1099439558.db2.gz PZGAAHJNSNQWKS-LBPRGKRZSA-N 1 0 350.415 4.367 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3cccc(C)c3)o2)c([N+](=O)[O-])c1 ZINC000237433863 1099509014 /nfs/dbraw/zinc/50/90/14/1099509014.db2.gz HUURTTNSFPCUAC-UHFFFAOYSA-N 1 0 352.390 4.462 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)C1CC1 ZINC000437073099 1099591551 /nfs/dbraw/zinc/59/15/51/1099591551.db2.gz NCPGVRXSANPDBV-QZTJIDSGSA-N 1 0 356.397 4.168 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)C1CC1 ZINC000437073101 1099592073 /nfs/dbraw/zinc/59/20/73/1099592073.db2.gz NCPGVRXSANPDBV-ZWKOTPCHSA-N 1 0 356.397 4.168 20 5 FIBDRO C[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC12CCC2 ZINC000536692952 1100191444 /nfs/dbraw/zinc/19/14/44/1100191444.db2.gz ISLKVEHKAISVKT-HNNXBMFYSA-N 1 0 355.438 4.304 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(c3ccccc3)C1)CCC2 ZINC000249036298 1100262070 /nfs/dbraw/zinc/26/20/70/1100262070.db2.gz SSDCRLZVBPNRFE-IERDGZPVSA-N 1 0 351.450 4.088 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000536840048 1100351704 /nfs/dbraw/zinc/35/17/04/1100351704.db2.gz PLJNTAQBWKPYSV-GFCCVEGCSA-N 1 0 369.343 4.047 20 5 FIBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c2ccccc21 ZINC000536843564 1100356457 /nfs/dbraw/zinc/35/64/57/1100356457.db2.gz FLDCZTPRDPQXGJ-LIRRHRJNSA-N 1 0 353.422 4.052 20 5 FIBDRO COc1ccccc1OC[C@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000536852154 1100364609 /nfs/dbraw/zinc/36/46/09/1100364609.db2.gz MCDLOOHITZDIPQ-GDBMZVCRSA-N 1 0 358.438 4.278 20 5 FIBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H](C)c1nc2ccccc2s1 ZINC000536858103 1100374463 /nfs/dbraw/zinc/37/44/63/1100374463.db2.gz NRTYDBLXXWNYJV-KBPBESRZSA-N 1 0 371.462 4.365 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459653838 1100396659 /nfs/dbraw/zinc/39/66/59/1100396659.db2.gz DMSAQAWKKGDCQQ-XJKSGUPXSA-N 1 0 372.387 4.337 20 5 FIBDRO CCCCCOc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000425993125 1100632465 /nfs/dbraw/zinc/63/24/65/1100632465.db2.gz ATJJKXDDNLTZPT-UHFFFAOYSA-N 1 0 372.469 4.197 20 5 FIBDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000425996625 1100642741 /nfs/dbraw/zinc/64/27/41/1100642741.db2.gz RKNVRYHEIQKNGQ-LBPRGKRZSA-N 1 0 368.355 4.430 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)c([N+](=O)[O-])cc1OC ZINC000506323838 1100865034 /nfs/dbraw/zinc/86/50/34/1100865034.db2.gz GYWNVKZQOZDWHD-QGZVFWFLSA-N 1 0 356.422 4.258 20 5 FIBDRO CCCc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000426299433 1101225975 /nfs/dbraw/zinc/22/59/75/1101225975.db2.gz VWGMEGUGMLUNMJ-NVXWUHKLSA-N 1 0 357.454 4.345 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459673169 1101312738 /nfs/dbraw/zinc/31/27/38/1101312738.db2.gz IYPHICAPMVVODH-QZTJIDSGSA-N 1 0 367.449 4.110 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1OCCc2sccc21 ZINC000426352530 1101342972 /nfs/dbraw/zinc/34/29/72/1101342972.db2.gz MIOPZQNSHSGEMB-KHDYIWLOSA-N 1 0 358.463 4.326 20 5 FIBDRO CCCCn1cc(C[NH2+][C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)c(C)n1 ZINC000537014408 1101396560 /nfs/dbraw/zinc/39/65/60/1101396560.db2.gz MSZJFJKKXSTXHY-AWEZNQCLSA-N 1 0 360.458 4.149 20 5 FIBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000537100687 1101449542 /nfs/dbraw/zinc/44/95/42/1101449542.db2.gz FSPYPRAGZTXDQF-AWEZNQCLSA-N 1 0 370.375 4.224 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000426390893 1101460873 /nfs/dbraw/zinc/46/08/73/1101460873.db2.gz MTDIFEXXEOCPSI-HYXAFXHYSA-N 1 0 370.424 4.428 20 5 FIBDRO Cc1cc(C)cc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000537117575 1101462289 /nfs/dbraw/zinc/46/22/89/1101462289.db2.gz PVYADGQLPDEXFQ-CYBMUJFWSA-N 1 0 361.829 4.154 20 5 FIBDRO CC(C)c1ccc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000439465371 1101463279 /nfs/dbraw/zinc/46/32/79/1101463279.db2.gz FXEUKDPBJDGGLD-UHFFFAOYSA-N 1 0 373.497 4.103 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000518800200 1101596717 /nfs/dbraw/zinc/59/67/17/1101596717.db2.gz LVDIRMCIXFUWQS-RAXLEYEMSA-N 1 0 365.355 4.244 20 5 FIBDRO C[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000439794811 1101775924 /nfs/dbraw/zinc/77/59/24/1101775924.db2.gz SBRGDJKSWDCXMJ-QAQDUYKDSA-N 1 0 374.412 4.262 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000506710825 1101862209 /nfs/dbraw/zinc/86/22/09/1101862209.db2.gz JZSFURWFVKYOFY-RJIDQJRZSA-N 1 0 358.463 4.351 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449092910 1101887512 /nfs/dbraw/zinc/88/75/12/1101887512.db2.gz VTYVTMJHWYDTON-CQSZACIVSA-N 1 0 365.202 4.274 20 5 FIBDRO O=C(CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccccc1Cl ZINC000130367614 1101936411 /nfs/dbraw/zinc/93/64/11/1101936411.db2.gz LSQLIFXPRMLOQA-UHFFFAOYSA-N 1 0 373.840 4.241 20 5 FIBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CN1C1CC1 ZINC000237697033 1102117924 /nfs/dbraw/zinc/11/79/24/1102117924.db2.gz CHKZNZLHVSEEDJ-UONOGXRCSA-N 1 0 357.479 4.038 20 5 FIBDRO CC(C)c1ccc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000473614575 1102253909 /nfs/dbraw/zinc/25/39/09/1102253909.db2.gz ALEAWJZSRXPZRH-BQFCYCMXSA-N 1 0 373.497 4.196 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@@H](Cc2nccn2C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000610828042 1102299786 /nfs/dbraw/zinc/29/97/86/1102299786.db2.gz HVFSEWCBCGVQBS-APWZRJJASA-N 1 0 364.449 4.271 20 5 FIBDRO CC[C@@H](O)CC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000532428335 1102311287 /nfs/dbraw/zinc/31/12/87/1102311287.db2.gz QIPYNTQYMANBSC-OAHLLOKOSA-N 1 0 364.829 4.291 20 5 FIBDRO COc1ccc(-c2ccc(C[N@H+](C)Cc3cccc(O)c3)o2)c([N+](=O)[O-])c1 ZINC000532502183 1102432320 /nfs/dbraw/zinc/43/23/20/1102432320.db2.gz PJWLFCNRCZWPQM-UHFFFAOYSA-N 1 0 368.389 4.201 20 5 FIBDRO CC(C)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000532499778 1102441754 /nfs/dbraw/zinc/44/17/54/1102441754.db2.gz AZSCJNDZRGZDBM-UHFFFAOYSA-N 1 0 353.850 4.087 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCOC1 ZINC000546691454 1102448023 /nfs/dbraw/zinc/44/80/23/1102448023.db2.gz AWGCBLBHAGWOAB-NWDGAFQWSA-N 1 0 350.802 4.023 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000729682330 1103036403 /nfs/dbraw/zinc/03/64/03/1103036403.db2.gz PRKOAIWNCMYRHD-UHFFFAOYSA-N 1 0 367.361 4.095 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3Cc4cccc(O)c4C3)s2)cc1 ZINC000428568533 1103097789 /nfs/dbraw/zinc/09/77/89/1103097789.db2.gz UATMKBBDKVKWJK-OAHLLOKOSA-N 1 0 366.442 4.286 20 5 FIBDRO C[NH+](C)Cc1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000532730143 1103155320 /nfs/dbraw/zinc/15/53/20/1103155320.db2.gz VGJMIPLKJNGOKZ-UHFFFAOYSA-N 1 0 368.462 4.392 20 5 FIBDRO Cc1ccc(-c2n[nH]cc2C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000507154980 1103171957 /nfs/dbraw/zinc/17/19/57/1103171957.db2.gz MHBLMGKEZJGYDE-UHFFFAOYSA-N 1 0 362.433 4.458 20 5 FIBDRO O=[N+]([O-])c1cccc(CN(Cc2cn3cc(Cl)ccc3n2)C2CC2)c1 ZINC000507170441 1103189447 /nfs/dbraw/zinc/18/94/47/1103189447.db2.gz NXMOQMUXDOJDDZ-UHFFFAOYSA-N 1 0 356.813 4.061 20 5 FIBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2c[nH]nc2-c2ccccc2F)C2CC2)c1 ZINC000507172752 1103191276 /nfs/dbraw/zinc/19/12/76/1103191276.db2.gz HUNDSLHAAKEDKN-UHFFFAOYSA-N 1 0 366.396 4.289 20 5 FIBDRO Cc1ccc(C)c([C@@H](C)[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000507201541 1103201088 /nfs/dbraw/zinc/20/10/88/1103201088.db2.gz GPDYNMKWCCTLRB-OAHLLOKOSA-N 1 0 356.422 4.271 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CCc1nccs1)C(C)C ZINC000532818230 1103255575 /nfs/dbraw/zinc/25/55/75/1103255575.db2.gz NLUBMAKELLVUPH-UHFFFAOYSA-N 1 0 363.483 4.292 20 5 FIBDRO COc1ccc(C[NH2+]Cc2ccc(OC3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000551620352 1103445416 /nfs/dbraw/zinc/44/54/16/1103445416.db2.gz WSSIAQXTWUBDFR-UHFFFAOYSA-N 1 0 356.422 4.215 20 5 FIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000467410782 1103636214 /nfs/dbraw/zinc/63/62/14/1103636214.db2.gz KLYMJAJCWPLIPM-HZPDHXFCSA-N 1 0 355.438 4.095 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(c2ccccc2)CCCCC1 ZINC000477637888 1103749285 /nfs/dbraw/zinc/74/92/85/1103749285.db2.gz PKCPXPRWRBVPDR-UHFFFAOYSA-N 1 0 367.449 4.291 20 5 FIBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000538168230 1104005128 /nfs/dbraw/zinc/00/51/28/1104005128.db2.gz RFZPOAKMABMYDF-CQSZACIVSA-N 1 0 370.384 4.074 20 5 FIBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CC(F)(F)F)c2ccccc2)c1 ZINC000538175876 1104009808 /nfs/dbraw/zinc/00/98/08/1104009808.db2.gz GQOTXZWIRCGRJU-MRXNPFEDSA-N 1 0 354.328 4.257 20 5 FIBDRO CC(C)C[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000538180094 1104012920 /nfs/dbraw/zinc/01/29/20/1104012920.db2.gz RQLXCRRSVZVADV-JXFKEZNVSA-N 1 0 369.465 4.149 20 5 FIBDRO O=C(C[NH2+][C@H](c1cccc(F)c1)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000538233080 1104062799 /nfs/dbraw/zinc/06/27/99/1104062799.db2.gz JARBYWPTBXIRLB-FQEVSTJZSA-N 1 0 371.412 4.194 20 5 FIBDRO COc1ccc(C[NH2+]CC(C)(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509615225 1104949783 /nfs/dbraw/zinc/94/97/83/1104949783.db2.gz DFAPMICSIIQMHU-UHFFFAOYSA-N 1 0 358.438 4.318 20 5 FIBDRO COc1cc(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000520525564 1104975252 /nfs/dbraw/zinc/97/52/52/1104975252.db2.gz QQEGRMZFGAAOPV-DGCLKSJQSA-N 1 0 358.385 4.215 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)c2c(c1)COCO2 ZINC000053099034 1105038352 /nfs/dbraw/zinc/03/83/52/1105038352.db2.gz OGYRLVGOQVUKQW-GOSISDBHSA-N 1 0 374.824 4.356 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000427855979 1105296704 /nfs/dbraw/zinc/29/67/04/1105296704.db2.gz UUAKMKFZBFKTMV-ZDUSSCGKSA-N 1 0 372.856 4.246 20 5 FIBDRO CCC[C@@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000427981668 1105329331 /nfs/dbraw/zinc/32/93/31/1105329331.db2.gz WSNKKCYWSKLNEC-GOSISDBHSA-N 1 0 353.422 4.197 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@](C)(O)CC2)cc1[N+](=O)[O-] ZINC000475333062 1106736961 /nfs/dbraw/zinc/73/69/61/1106736961.db2.gz RUKLSKQTWNLJMI-NRFANRHFSA-N 1 0 369.465 4.100 20 5 FIBDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1F ZINC000451165216 1106954974 /nfs/dbraw/zinc/95/49/74/1106954974.db2.gz USLZTDNAMQRYKR-KGLIPLIRSA-N 1 0 359.401 4.029 20 5 FIBDRO COc1cccc(NCc2ccccc2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000475450117 1107164270 /nfs/dbraw/zinc/16/42/70/1107164270.db2.gz UYNZLRPBTVGQKE-UHFFFAOYSA-N 1 0 355.438 4.201 20 5 FIBDRO C[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000248753956 1107375550 /nfs/dbraw/zinc/37/55/50/1107375550.db2.gz CJPTVENTAJLCDW-RZXSNQJFSA-N 1 0 365.477 4.441 20 5 FIBDRO Cc1c(C[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-] ZINC000451911331 1107379713 /nfs/dbraw/zinc/37/97/13/1107379713.db2.gz NNOVFRNROPWYRL-KRWDZBQOSA-N 1 0 369.248 4.207 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)CC(C)(C)OC)o2)c([N+](=O)[O-])c1 ZINC000237288656 1107623655 /nfs/dbraw/zinc/62/36/55/1107623655.db2.gz YPUSVVLRCMUUKE-CYBMUJFWSA-N 1 0 362.426 4.157 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC2CC([NH+]3CCCCC3)C2)s1 ZINC000475572501 1107778946 /nfs/dbraw/zinc/77/89/46/1107778946.db2.gz YYDKFTFQTXHHOT-UHFFFAOYSA-N 1 0 371.506 4.430 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-] ZINC000531443945 1107903644 /nfs/dbraw/zinc/90/36/44/1107903644.db2.gz XRAWLAWRZZIAGK-DYVFJYSZSA-N 1 0 373.840 4.013 20 5 FIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C)C1 ZINC000520204188 1108020146 /nfs/dbraw/zinc/02/01/46/1108020146.db2.gz UCXJLOWSNZYXMP-HOTGVXAUSA-N 1 0 357.454 4.065 20 5 FIBDRO Cc1ccc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1[N+](=O)[O-] ZINC000520207584 1108021333 /nfs/dbraw/zinc/02/13/33/1108021333.db2.gz CNFIDQFJAYGHHU-FQEVSTJZSA-N 1 0 373.884 4.483 20 5 FIBDRO CC(C)(C)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(F)c1 ZINC000444685153 1108061472 /nfs/dbraw/zinc/06/14/72/1108061472.db2.gz QGYWSQDHTRWZLF-SFHVURJKSA-N 1 0 356.401 4.487 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](CC3CCC3)c3ccccc3)nc2c1 ZINC000444669749 1108072979 /nfs/dbraw/zinc/07/29/79/1108072979.db2.gz FVTKWLVXSOGBBK-GOSISDBHSA-N 1 0 350.422 4.492 20 5 FIBDRO Cc1cccc(C2([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CCCC2)c1 ZINC000444670734 1108073841 /nfs/dbraw/zinc/07/38/41/1108073841.db2.gz FPWBXAZBPOEKSR-UHFFFAOYSA-N 1 0 350.422 4.339 20 5 FIBDRO Cc1c(C[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)cccc1[N+](=O)[O-] ZINC000453213189 1108284146 /nfs/dbraw/zinc/28/41/46/1108284146.db2.gz OINPVMMJXNAZQW-OAHLLOKOSA-N 1 0 350.422 4.155 20 5 FIBDRO COCCC1(C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CCC1 ZINC000531863991 1108292044 /nfs/dbraw/zinc/29/20/44/1108292044.db2.gz TVFRHKUGFSFOGO-UHFFFAOYSA-N 1 0 374.437 4.160 20 5 FIBDRO CC[C@H]([NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H](O)C(F)F ZINC000453270704 1108344300 /nfs/dbraw/zinc/34/43/00/1108344300.db2.gz PIQCQJCDQFIGFH-XAGWURHQSA-N 1 0 370.421 4.379 20 5 FIBDRO C[C@H]([NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000453279429 1108355788 /nfs/dbraw/zinc/35/57/88/1108355788.db2.gz IUVCYMNBXQDFDT-YVEFUNNKSA-N 1 0 368.355 4.388 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1cccc2cccnc21)C1CC1 ZINC000531942956 1108386492 /nfs/dbraw/zinc/38/64/92/1108386492.db2.gz TYSOTQJSNACXLZ-FQEVSTJZSA-N 1 0 361.445 4.296 20 5 FIBDRO COc1ccc(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC(C)C)cc1OC ZINC000523788925 1108520076 /nfs/dbraw/zinc/52/00/76/1108520076.db2.gz SHXFEUMESQPJNO-UHFFFAOYSA-N 1 0 372.465 4.313 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000532200875 1108706679 /nfs/dbraw/zinc/70/66/79/1108706679.db2.gz GWJJSTAJQCNRNM-LLVKDONJSA-N 1 0 352.337 4.056 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCc4ccccc4C3)cs2)c1 ZINC000524305840 1108958738 /nfs/dbraw/zinc/95/87/38/1108958738.db2.gz VAXRFEURVJCAKR-KRWDZBQOSA-N 1 0 365.458 4.365 20 5 FIBDRO CCCC[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000021819338 1108963054 /nfs/dbraw/zinc/96/30/54/1108963054.db2.gz SXTPIISCSOTGAC-KRWDZBQOSA-N 1 0 361.829 4.318 20 5 FIBDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]2CCCO[C@H]21 ZINC000525195025 1109304225 /nfs/dbraw/zinc/30/42/25/1109304225.db2.gz DKZBLEKSKRMPBX-BHIYHBOVSA-N 1 0 356.422 4.148 20 5 FIBDRO COc1ccc(OC2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000525270344 1109319557 /nfs/dbraw/zinc/31/95/57/1109319557.db2.gz PJQBBCMOZAPVFD-OAHLLOKOSA-N 1 0 356.422 4.208 20 5 FIBDRO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1c1ccccc1 ZINC000441076140 1109324783 /nfs/dbraw/zinc/32/47/83/1109324783.db2.gz XLIJQQARLAGFHO-MRXNPFEDSA-N 1 0 351.406 4.362 20 5 FIBDRO COc1ccc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000525266901 1109324798 /nfs/dbraw/zinc/32/47/98/1109324798.db2.gz VOZCYENHYOAVNF-MRXNPFEDSA-N 1 0 358.463 4.218 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@H](O)C(C)C)cc2[N+](=O)[O-])cc1 ZINC000525406015 1109374977 /nfs/dbraw/zinc/37/49/77/1109374977.db2.gz SYECMYRDTGITEQ-SFHVURJKSA-N 1 0 360.479 4.161 20 5 FIBDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]2CCCO[C@H]21 ZINC000525708753 1109488881 /nfs/dbraw/zinc/48/88/81/1109488881.db2.gz WUNOAEOBYKPKCQ-QXAKKESOSA-N 1 0 356.422 4.148 20 5 FIBDRO Cc1ccccc1C[C@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000447406707 1109535653 /nfs/dbraw/zinc/53/56/53/1109535653.db2.gz WVWOGUUFNZHTGP-KRWDZBQOSA-N 1 0 369.465 4.103 20 5 FIBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC000441254666 1109538383 /nfs/dbraw/zinc/53/83/83/1109538383.db2.gz ZOANTFBZWWLSBK-UHFFFAOYSA-N 1 0 370.858 4.219 20 5 FIBDRO CN(C)[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC000447513426 1109566330 /nfs/dbraw/zinc/56/63/30/1109566330.db2.gz WAVCHSWXXWKPEE-VQTJNVASSA-N 1 0 357.429 4.004 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cccc(C(F)(F)F)c2)n1 ZINC000447513515 1109566545 /nfs/dbraw/zinc/56/65/45/1109566545.db2.gz WXMHGBMHZBAOQP-LSDHHAIUSA-N 1 0 368.359 4.084 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCn1cnc3ccccc31)CCC2 ZINC000447514411 1109567277 /nfs/dbraw/zinc/56/72/77/1109567277.db2.gz DYLJLYWBGIIHDN-GOSISDBHSA-N 1 0 350.422 4.002 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OC3CCCC3)nc1)CCC2 ZINC000447543561 1109574199 /nfs/dbraw/zinc/57/41/99/1109574199.db2.gz MEBWSOVIYQZHHF-FQEVSTJZSA-N 1 0 367.449 4.478 20 5 FIBDRO COc1cc2c(cc1C[NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)O[C@H](C)C2 ZINC000447561519 1109582268 /nfs/dbraw/zinc/58/22/68/1109582268.db2.gz IIXKUQSPIRSLAC-BFUOFWGJSA-N 1 0 368.433 4.094 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)n1 ZINC000447584053 1109586746 /nfs/dbraw/zinc/58/67/46/1109586746.db2.gz DJYDZVRDGDCQSS-LJISPDSOSA-N 1 0 374.407 4.233 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1nc3c(s1)CCCC3)CCC2 ZINC000447589795 1109588669 /nfs/dbraw/zinc/58/86/69/1109588669.db2.gz YZWHNYMEGKMSTM-MRXNPFEDSA-N 1 0 357.479 4.140 20 5 FIBDRO COc1cc(C[N@H+]2[C@H](C)C[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000527238464 1109719926 /nfs/dbraw/zinc/71/99/26/1109719926.db2.gz DDXZTCJIRDDZNU-GASCZTMLSA-N 1 0 356.422 4.165 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000026227604 1109853111 /nfs/dbraw/zinc/85/31/11/1109853111.db2.gz PZSGDVNRWJVKFB-ZDUSSCGKSA-N 1 0 361.829 4.236 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000449061549 1109964933 /nfs/dbraw/zinc/96/49/33/1109964933.db2.gz GNQNYFZIWQYGKK-MAUKXSAKSA-N 1 0 359.495 4.014 20 5 FIBDRO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000449142387 1109984277 /nfs/dbraw/zinc/98/42/77/1109984277.db2.gz NZTPDMRLMUOAOL-STQMWFEESA-N 1 0 362.401 4.033 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000449178084 1109989677 /nfs/dbraw/zinc/98/96/77/1109989677.db2.gz TXFDDKRRHBCSPS-HOTGVXAUSA-N 1 0 350.422 4.062 20 5 FIBDRO CC(C)(C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000449236629 1109998881 /nfs/dbraw/zinc/99/88/81/1109998881.db2.gz LASYIEMPIQGKTF-UHFFFAOYSA-N 1 0 367.449 4.107 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000449293047 1110025755 /nfs/dbraw/zinc/02/57/55/1110025755.db2.gz TUHVMOKOACHVHP-IFXJQAMLSA-N 1 0 355.438 4.023 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000449435983 1110078894 /nfs/dbraw/zinc/07/88/94/1110078894.db2.gz GNIUMQLJYQKMDA-INIZCTEOSA-N 1 0 368.355 4.135 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCOC4(CCC4)C3)o2)cc1 ZINC000449476724 1110084243 /nfs/dbraw/zinc/08/42/43/1110084243.db2.gz NLPHQUAERRNSSY-OAHLLOKOSA-N 1 0 356.422 4.294 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000449476454 1110084328 /nfs/dbraw/zinc/08/43/28/1110084328.db2.gz GJPRXOYWJFABBJ-JENIJYKNSA-N 1 0 358.482 4.245 20 5 FIBDRO CO[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H]1C ZINC000449492917 1110087767 /nfs/dbraw/zinc/08/77/67/1110087767.db2.gz CUQAUINPSIYPCN-SJCJKPOMSA-N 1 0 364.829 4.365 20 5 FIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cnc([C@H]4CCCO4)s3)C2)cc1 ZINC000449495735 1110092550 /nfs/dbraw/zinc/09/25/50/1110092550.db2.gz DWPQQYQWCAGIOY-MAUKXSAKSA-N 1 0 373.478 4.282 20 5 FIBDRO CCO[C@H]1CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C[C@H]1C ZINC000449496993 1110093681 /nfs/dbraw/zinc/09/36/81/1110093681.db2.gz QPSLVGCXWLVQPX-KUHUBIRLSA-N 1 0 374.437 4.110 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)c(Cl)c1 ZINC000449627194 1110130649 /nfs/dbraw/zinc/13/06/49/1110130649.db2.gz QHFZSLLKCKYBCL-IUODEOHRSA-N 1 0 352.843 4.320 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](CCCO)C3)o2)c(Cl)c1 ZINC000449790913 1110172701 /nfs/dbraw/zinc/17/27/01/1110172701.db2.gz MSTQFNIXQWNETP-ZDUSSCGKSA-N 1 0 364.829 4.103 20 5 FIBDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000450689809 1110330822 /nfs/dbraw/zinc/33/08/22/1110330822.db2.gz YFCJMFHKGGVHKK-GFCCVEGCSA-N 1 0 362.813 4.194 20 5 FIBDRO Cc1cc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1F ZINC000538321075 1111090041 /nfs/dbraw/zinc/09/00/41/1111090041.db2.gz XWRWPSOPSVOHSB-ORAYPTAESA-N 1 0 371.412 4.110 20 5 FIBDRO CC[NH+]1CCC(CCNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000461243029 1111124789 /nfs/dbraw/zinc/12/47/89/1111124789.db2.gz OQQJSMQZKZXERF-UHFFFAOYSA-N 1 0 361.489 4.240 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCO[C@@H]3C3CC3)o2)c(Cl)c1 ZINC000538421626 1111127138 /nfs/dbraw/zinc/12/71/38/1111127138.db2.gz PLBHWGCROPECOJ-SJLPKXTDSA-N 1 0 362.813 4.165 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@]2(C)CCCOC2)cc1[N+](=O)[O-] ZINC000538969238 1111363467 /nfs/dbraw/zinc/36/34/67/1111363467.db2.gz MDVOBTNNTBZDJZ-HXUWFJFHSA-N 1 0 355.438 4.021 20 5 FIBDRO COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539061163 1111407534 /nfs/dbraw/zinc/40/75/34/1111407534.db2.gz WNHUJRDQGAGDJF-ZBFHGGJFSA-N 1 0 358.438 4.278 20 5 FIBDRO CSCC[C@@H](CO)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539062303 1111407962 /nfs/dbraw/zinc/40/79/62/1111407962.db2.gz XIWTXFXILBQDSP-OLZOCXBDSA-N 1 0 366.508 4.088 20 5 FIBDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000539063272 1111408840 /nfs/dbraw/zinc/40/88/40/1111408840.db2.gz YKORAZXKQSIDKQ-QEEYODRMSA-N 1 0 358.438 4.339 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC000539328414 1111515594 /nfs/dbraw/zinc/51/55/94/1111515594.db2.gz RDVMIGYPIGAFIQ-IBGZPJMESA-N 1 0 373.428 4.358 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1)C1CC1 ZINC000539348794 1111528520 /nfs/dbraw/zinc/52/85/20/1111528520.db2.gz IXDTVSJBMJFUCL-HNNXBMFYSA-N 1 0 367.449 4.070 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1)C1CC1 ZINC000539348797 1111528624 /nfs/dbraw/zinc/52/86/24/1111528624.db2.gz IXDTVSJBMJFUCL-OAHLLOKOSA-N 1 0 367.449 4.070 20 5 FIBDRO Cc1c(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)cccc1[N+](=O)[O-] ZINC000478496785 1111794426 /nfs/dbraw/zinc/79/44/26/1111794426.db2.gz YHZMEFIXWPYMRF-IBGZPJMESA-N 1 0 352.434 4.395 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000553002814 1111878385 /nfs/dbraw/zinc/87/83/85/1111878385.db2.gz KXAUKVLKERWURB-UHFFFAOYSA-N 1 0 373.840 4.164 20 5 FIBDRO CC[C@H]([NH2+][C@@H]1CCc2cc(OC)c(OC)cc21)c1cccc([N+](=O)[O-])c1 ZINC000479071341 1111940656 /nfs/dbraw/zinc/94/06/56/1111940656.db2.gz RCXXPPKMRQVDAN-ZWKOTPCHSA-N 1 0 356.422 4.340 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCc2cccc(C)n2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000479465518 1112034445 /nfs/dbraw/zinc/03/44/45/1112034445.db2.gz SBHIJVVYDVPZNE-OAQYLSRUSA-N 1 0 365.433 4.375 20 5 FIBDRO Cc1c([C@H](C)[NH2+]CC2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000479467627 1112042520 /nfs/dbraw/zinc/04/25/20/1112042520.db2.gz VZZWPZWMTHELBY-KRWDZBQOSA-N 1 0 353.466 4.470 20 5 FIBDRO Cc1c(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000479815211 1112150417 /nfs/dbraw/zinc/15/04/17/1112150417.db2.gz CPZQNXRAXXGBLA-UHFFFAOYSA-N 1 0 362.474 4.069 20 5 FIBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000554047088 1112174826 /nfs/dbraw/zinc/17/48/26/1112174826.db2.gz ACPKDAHBFKVWEI-BEFAXECRSA-N 1 0 370.453 4.025 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3c2cccc3Br)c(F)c1 ZINC000479880907 1112176343 /nfs/dbraw/zinc/17/63/43/1112176343.db2.gz ALLNDNXKXNUGAA-INIZCTEOSA-N 1 0 365.202 4.274 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]CCCN2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000480231099 1112342749 /nfs/dbraw/zinc/34/27/49/1112342749.db2.gz NDCOKWKTHZQLGW-QGZVFWFLSA-N 1 0 353.466 4.002 20 5 FIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000480410272 1112416673 /nfs/dbraw/zinc/41/66/73/1112416673.db2.gz ZPRAFICGMAHQLM-RDJZCZTQSA-N 1 0 362.433 4.390 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000600123837 1112900410 /nfs/dbraw/zinc/90/04/10/1112900410.db2.gz JLBFDJYVBCUYSN-UHFFFAOYSA-N 1 0 351.406 4.120 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000482358515 1113231830 /nfs/dbraw/zinc/23/18/30/1113231830.db2.gz MPTUAIXPXLQLKQ-LNLFQRSKSA-N 1 0 353.466 4.389 20 5 FIBDRO Cc1cccc(CC2(O)CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000482945383 1113404996 /nfs/dbraw/zinc/40/49/96/1113404996.db2.gz IJTGLPQVQVDIBD-SFHVURJKSA-N 1 0 368.477 4.342 20 5 FIBDRO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000160764533 1113447727 /nfs/dbraw/zinc/44/77/27/1113447727.db2.gz HPQKOLVFWMPELM-ZWOKBUDYSA-N 1 0 353.466 4.156 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C[C@H](c2c(F)cccc2F)N(C)C)cccc1[N+](=O)[O-] ZINC000483144094 1113453166 /nfs/dbraw/zinc/45/31/66/1113453166.db2.gz QYDBZZBWVTZHPC-FZKQIMNGSA-N 1 0 363.408 4.135 20 5 FIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483240511 1113469553 /nfs/dbraw/zinc/46/95/53/1113469553.db2.gz RIZCLZXBVFSEOJ-DZGCQCFKSA-N 1 0 358.442 4.464 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000486458734 1113569688 /nfs/dbraw/zinc/56/96/88/1113569688.db2.gz SKBAERGYMNQQMT-KRWDZBQOSA-N 1 0 361.467 4.052 20 5 FIBDRO CCC1CCC([N@H+](CCO)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000488203951 1113878034 /nfs/dbraw/zinc/87/80/34/1113878034.db2.gz QIJXJCFJUARCBJ-UHFFFAOYSA-N 1 0 373.453 4.013 20 5 FIBDRO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCc2ccc(F)cc21 ZINC000911595583 1114001774 /nfs/dbraw/zinc/00/17/74/1114001774.db2.gz INDKFXCHXAXHQY-LBPRGKRZSA-N 1 0 355.369 4.037 20 5 FIBDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000489092586 1114048868 /nfs/dbraw/zinc/04/88/68/1114048868.db2.gz CEPYUHWNPRZLRL-SFHVURJKSA-N 1 0 356.422 4.121 20 5 FIBDRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000490083929 1114216513 /nfs/dbraw/zinc/21/65/13/1114216513.db2.gz VECSPTUTRZSQDP-RDJZCZTQSA-N 1 0 368.433 4.148 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000490388597 1114283747 /nfs/dbraw/zinc/28/37/47/1114283747.db2.gz XRKHCXSGQZRXGM-QGZVFWFLSA-N 1 0 354.450 4.380 20 5 FIBDRO Cc1cccnc1C(C)(C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000570890153 1114381828 /nfs/dbraw/zinc/38/18/28/1114381828.db2.gz IXOXWDYUKBPKGB-GOSISDBHSA-N 1 0 353.466 4.187 20 5 FIBDRO COCCCOc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000586794677 1114394785 /nfs/dbraw/zinc/39/47/85/1114394785.db2.gz REBSZVWOJRDMBX-INIZCTEOSA-N 1 0 358.438 4.169 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000164377391 1114475938 /nfs/dbraw/zinc/47/59/38/1114475938.db2.gz MDWQJJXDOXKJGX-LJQANCHMSA-N 1 0 353.422 4.069 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000164377683 1114476185 /nfs/dbraw/zinc/47/61/85/1114476185.db2.gz SQJQHGNIZUSWJF-LJQANCHMSA-N 1 0 353.422 4.069 20 5 FIBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000571603168 1114483317 /nfs/dbraw/zinc/48/33/17/1114483317.db2.gz WBRZDKNVPMJZKR-LJQANCHMSA-N 1 0 360.479 4.450 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]CCCCOc3ccccc3)c2c1 ZINC000571689919 1114491572 /nfs/dbraw/zinc/49/15/72/1114491572.db2.gz XROQBBWKFAIGHK-UHFFFAOYSA-N 1 0 353.422 4.067 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000588930210 1114675973 /nfs/dbraw/zinc/67/59/73/1114675973.db2.gz UBOQZXIOULZKNG-CRPZLVSXSA-N 1 0 360.841 4.017 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cnc(-c4ccco4)s3)c2c1 ZINC000588933600 1114676823 /nfs/dbraw/zinc/67/68/23/1114676823.db2.gz ALPIEVHHDCXBOA-UHFFFAOYSA-N 1 0 368.418 4.125 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3Cc4ccc(Cl)cc4C3)c2c1 ZINC000588959302 1114681346 /nfs/dbraw/zinc/68/13/46/1114681346.db2.gz XIDLLTSCOXMOAY-MRXNPFEDSA-N 1 0 355.825 4.029 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCCOc4ccc(F)cc43)c2c1 ZINC000588959487 1114681528 /nfs/dbraw/zinc/68/15/28/1114681528.db2.gz CVTSTXWTIVJNCU-SFHVURJKSA-N 1 0 369.396 4.261 20 5 FIBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000056881575 1114829729 /nfs/dbraw/zinc/82/97/29/1114829729.db2.gz BMGKGNCARZEAGR-UHFFFAOYSA-N 1 0 366.421 4.170 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000590173497 1114907928 /nfs/dbraw/zinc/90/79/28/1114907928.db2.gz WZKBMWAKGRWGGD-AWEZNQCLSA-N 1 0 365.355 4.073 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000590551686 1114945523 /nfs/dbraw/zinc/94/55/23/1114945523.db2.gz ZSIHUGHSPWEKSD-UHFFFAOYSA-N 1 0 353.422 4.060 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1cccc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000057555267 1114949153 /nfs/dbraw/zinc/94/91/53/1114949153.db2.gz MSIZYWOFDZZTML-GJZGRUSLSA-N 1 0 363.417 4.426 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C2CCC(OC(F)F)CC2)cc1[N+](=O)[O-] ZINC000590780166 1114972690 /nfs/dbraw/zinc/97/26/90/1114972690.db2.gz SLKNWMDZCYHHCQ-XGNXJENSSA-N 1 0 358.385 4.195 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@@H]2CCCC[C@H]21 ZINC001168400986 1115107565 /nfs/dbraw/zinc/10/75/65/1115107565.db2.gz GMKAWOOGORHIOG-KWCYVHTRSA-N 1 0 353.260 4.368 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H]1CCC(F)(F)C1)[C@H]1CC[C@H](O)CC1 ZINC000592132513 1115205252 /nfs/dbraw/zinc/20/52/52/1115205252.db2.gz HYGILUSUDGPJDY-XIRDDKMYSA-N 1 0 368.424 4.136 20 5 FIBDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000592375544 1115219593 /nfs/dbraw/zinc/21/95/93/1115219593.db2.gz TXQPGHHLKQCQGC-AKAXFMLLSA-N 1 0 361.467 4.154 20 5 FIBDRO CCCC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCc2ncsc2C1 ZINC000592187193 1115220448 /nfs/dbraw/zinc/22/04/48/1115220448.db2.gz ICLGUJGVZGOPCY-CYBMUJFWSA-N 1 0 351.497 4.272 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCO[C@@H](c3cccnc3)C1)CCCC2 ZINC000592396005 1115223042 /nfs/dbraw/zinc/22/30/42/1115223042.db2.gz FDCOELUIVRPXAC-JRGCBEDISA-N 1 0 367.449 4.267 20 5 FIBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc2ccccc2c2cccnc12 ZINC000592777154 1115261974 /nfs/dbraw/zinc/26/19/74/1115261974.db2.gz MPHGLNGVNDUGAS-QGZVFWFLSA-N 1 0 359.473 4.135 20 5 FIBDRO CC(C)c1ccc(CN2CCC3(C2)Oc2ccccc2O3)cc1[N+](=O)[O-] ZINC000574121048 1115291170 /nfs/dbraw/zinc/29/11/70/1115291170.db2.gz OHAZGRNKIGJQCX-UHFFFAOYSA-N 1 0 354.406 4.092 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](C2CC2)C2CCOCC2)o1 ZINC000593669195 1115338170 /nfs/dbraw/zinc/33/81/70/1115338170.db2.gz WZXWGZOJKMZIGC-FQEVSTJZSA-N 1 0 356.422 4.150 20 5 FIBDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000158002609 1115429531 /nfs/dbraw/zinc/42/95/31/1115429531.db2.gz DGWMWCBRUPMSSQ-UONOGXRCSA-N 1 0 361.392 4.050 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000594499704 1115450606 /nfs/dbraw/zinc/45/06/06/1115450606.db2.gz QQPVKWAAFGYIDT-AWEZNQCLSA-N 1 0 372.375 4.159 20 5 FIBDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])CCO2 ZINC000594501186 1115451414 /nfs/dbraw/zinc/45/14/14/1115451414.db2.gz SONMDJIHZHEKJR-ZWKOTPCHSA-N 1 0 354.406 4.094 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(Br)s1 ZINC000594505304 1115452576 /nfs/dbraw/zinc/45/25/76/1115452576.db2.gz PPYBQBFKGFWMSP-GFCCVEGCSA-N 1 0 353.241 4.196 20 5 FIBDRO CC[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCCO1 ZINC000594517985 1115458313 /nfs/dbraw/zinc/45/83/13/1115458313.db2.gz FPOLYBFCYTYMEI-SJORKVTESA-N 1 0 361.467 4.156 20 5 FIBDRO C[C@@]1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1 ZINC000574828179 1115491533 /nfs/dbraw/zinc/49/15/33/1115491533.db2.gz LOKNYTMAYVEFBP-GNBUJSLZSA-N 1 0 354.454 4.058 20 5 FIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000059393767 1115500611 /nfs/dbraw/zinc/50/06/11/1115500611.db2.gz XNLXPHVROCQICL-UHFFFAOYSA-N 1 0 363.820 4.464 20 5 FIBDRO COc1ccc(C[NH2+][C@@]23C[C@@H]2CCC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594950981 1115502034 /nfs/dbraw/zinc/50/20/34/1115502034.db2.gz LQPGCMRIZQFKEM-UWJYYQICSA-N 1 0 368.433 4.215 20 5 FIBDRO CCCC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595011383 1115503552 /nfs/dbraw/zinc/50/35/52/1115503552.db2.gz MUKHTVZEXZYGFC-CQSZACIVSA-N 1 0 371.437 4.193 20 5 FIBDRO CO[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000594995783 1115506093 /nfs/dbraw/zinc/50/60/93/1115506093.db2.gz UNGBOOFRHIQTIW-KRWDZBQOSA-N 1 0 361.467 4.013 20 5 FIBDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595027826 1115510226 /nfs/dbraw/zinc/51/02/26/1115510226.db2.gz TYYJIVZTAYULAW-PJSUUKDQSA-N 1 0 374.437 4.039 20 5 FIBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccc(OC)c(OC)c1 ZINC000595042415 1115510925 /nfs/dbraw/zinc/51/09/25/1115510925.db2.gz FYNXTNFMEDEVSQ-DYVFJYSZSA-N 1 0 374.437 4.423 20 5 FIBDRO Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595097832 1115516193 /nfs/dbraw/zinc/51/61/93/1115516193.db2.gz KTHBYFHKYAZZIN-VQIMIIECSA-N 1 0 368.481 4.097 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000595074815 1115516898 /nfs/dbraw/zinc/51/68/98/1115516898.db2.gz VSLRQDDXOWJVSA-LJQANCHMSA-N 1 0 354.454 4.221 20 5 FIBDRO CCc1ccc([C@H]([NH2+]C[C@@]2(C)CC2(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595081192 1115517521 /nfs/dbraw/zinc/51/75/21/1115517521.db2.gz QKAVZRKXLDMZKK-IAGOWNOFSA-N 1 0 350.365 4.475 20 5 FIBDRO Cn1ccnc1[C@@H]([NH2+]C1CCC(C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595094305 1115517602 /nfs/dbraw/zinc/51/76/02/1115517602.db2.gz WBCCFFRVBDKCHM-NLPFYKDJSA-N 1 0 368.481 4.366 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](c1ccccc1)[C@@H](O)C(C)C ZINC000595097120 1115518065 /nfs/dbraw/zinc/51/80/65/1115518065.db2.gz PIACJRGOFXFANL-GKCIPKSASA-N 1 0 358.438 4.012 20 5 FIBDRO COc1ccc([C@H]2CCCN2Cc2ccc(F)cc2[N+](=O)[O-])cc1OC ZINC000595290296 1115521038 /nfs/dbraw/zinc/52/10/38/1115521038.db2.gz YIHQQPCCTCBURE-MRXNPFEDSA-N 1 0 360.385 4.088 20 5 FIBDRO CCc1cccc2c(C3CC[NH+](Cc4onc(C)c4[N+](=O)[O-])CC3)c[nH]c21 ZINC000595293936 1115521327 /nfs/dbraw/zinc/52/13/27/1115521327.db2.gz VCUCCFQEIKNVFQ-UHFFFAOYSA-N 1 0 368.437 4.315 20 5 FIBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000595373103 1115534551 /nfs/dbraw/zinc/53/45/51/1115534551.db2.gz MBTZGFIIOMEDMJ-UHFFFAOYSA-N 1 0 364.804 4.183 20 5 FIBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000595431746 1115536095 /nfs/dbraw/zinc/53/60/95/1115536095.db2.gz GYZRKJKGQZNMHA-PKOBYXMFSA-N 1 0 362.376 4.225 20 5 FIBDRO Cc1cc(NCc2ccc(OC3CC[NH+](C)CC3)cc2)c([N+](=O)[O-])s1 ZINC000596227024 1115579530 /nfs/dbraw/zinc/57/95/30/1115579530.db2.gz UNBHIDMBWLJAGR-UHFFFAOYSA-N 1 0 361.467 4.050 20 5 FIBDRO COCc1ccccc1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602511082 1115709129 /nfs/dbraw/zinc/70/91/29/1115709129.db2.gz MCBCLBCHCUFVOG-UHFFFAOYSA-N 1 0 354.328 4.050 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CCn2ccnc2)cc1 ZINC000061014662 1115749653 /nfs/dbraw/zinc/74/96/53/1115749653.db2.gz FFIXEKXNTHDVPZ-UHFFFAOYSA-N 1 0 372.812 4.027 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599017242 1115778890 /nfs/dbraw/zinc/77/88/90/1115778890.db2.gz ZSBYCXQBGUHIGL-KRWDZBQOSA-N 1 0 369.248 4.423 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC000599015946 1115778938 /nfs/dbraw/zinc/77/89/38/1115778938.db2.gz VEQCBUVVMCKANU-INIZCTEOSA-N 1 0 355.221 4.115 20 5 FIBDRO C[N@H+](CCC(=O)Nc1cccc2ccccc21)Cc1ccccc1[N+](=O)[O-] ZINC000603581546 1115795578 /nfs/dbraw/zinc/79/55/78/1115795578.db2.gz WWJHBLCQOJIOFZ-UHFFFAOYSA-N 1 0 363.417 4.209 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000593715014 1115801025 /nfs/dbraw/zinc/80/10/25/1115801025.db2.gz FXVVDGUDRUFGFP-DSKINZAPSA-N 1 0 358.482 4.101 20 5 FIBDRO Cc1c(C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000603840621 1115818840 /nfs/dbraw/zinc/81/88/40/1115818840.db2.gz NPPYIWNGKMYFAF-UHFFFAOYSA-N 1 0 354.328 4.434 20 5 FIBDRO CC[NH+](CC)CCOc1ccccc1CNc1ccc([N+](=O)[O-])cc1F ZINC000603856978 1115822269 /nfs/dbraw/zinc/82/22/69/1115822269.db2.gz JGRWZOLLRROVPW-UHFFFAOYSA-N 1 0 361.417 4.067 20 5 FIBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1OC(F)(F)F ZINC000603840894 1115822625 /nfs/dbraw/zinc/82/26/25/1115822625.db2.gz IEZGLHNAFXHCJC-UHFFFAOYSA-N 1 0 370.327 4.004 20 5 FIBDRO CC(C)([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000599533654 1115823694 /nfs/dbraw/zinc/82/36/94/1115823694.db2.gz RMHWIISKKHHZCL-UHFFFAOYSA-N 1 0 357.435 4.108 20 5 FIBDRO CC[NH+](CC)Cc1cccc(CNc2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC000603866485 1115824007 /nfs/dbraw/zinc/82/40/07/1115824007.db2.gz SBGNSQRZUPGKCF-UHFFFAOYSA-N 1 0 364.449 4.019 20 5 FIBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc2ccccc21 ZINC000603892046 1115827010 /nfs/dbraw/zinc/82/70/10/1115827010.db2.gz ZVPGAGZUPBTARH-HNNXBMFYSA-N 1 0 363.417 4.207 20 5 FIBDRO CC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1cc(C)ccc1C ZINC000599640607 1115833281 /nfs/dbraw/zinc/83/32/81/1115833281.db2.gz KYXQXRWRWYIFFX-KRWDZBQOSA-N 1 0 355.438 4.199 20 5 FIBDRO O=[N+]([O-])c1cc(F)ccc1CN[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599680216 1115837660 /nfs/dbraw/zinc/83/76/60/1115837660.db2.gz LJLADISTQVGKQW-OAHLLOKOSA-N 1 0 373.211 4.254 20 5 FIBDRO CCC[C@H](NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000604044307 1115845503 /nfs/dbraw/zinc/84/55/03/1115845503.db2.gz GLXDXSSRWYDICJ-QINHECLXSA-N 1 0 369.465 4.292 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@@H]2CCOC2)cc1 ZINC000604419090 1115865118 /nfs/dbraw/zinc/86/51/18/1115865118.db2.gz CKMGUZYMVRZVSP-AWEZNQCLSA-N 1 0 362.813 4.167 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000604434695 1115865354 /nfs/dbraw/zinc/86/53/54/1115865354.db2.gz NINQDXCUUOLXRG-FQEVSTJZSA-N 1 0 367.449 4.241 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000604520781 1115867322 /nfs/dbraw/zinc/86/73/22/1115867322.db2.gz PTIRUKPDJCIWLV-DYESRHJHSA-N 1 0 370.449 4.203 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCOc2cccc(Cl)c2)c1 ZINC000604533009 1115869329 /nfs/dbraw/zinc/86/93/29/1115869329.db2.gz PUTRMWBSPCUWBO-UHFFFAOYSA-N 1 0 372.755 4.018 20 5 FIBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1F ZINC000594019586 1115962248 /nfs/dbraw/zinc/96/22/48/1115962248.db2.gz OCNBDHWTICBOTH-QGZVFWFLSA-N 1 0 359.401 4.112 20 5 FIBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000533972485 1116097997 /nfs/dbraw/zinc/09/79/97/1116097997.db2.gz GAMXTDCGHLAYRH-AWEZNQCLSA-N 1 0 373.478 4.084 20 5 FIBDRO C[C@H](C[C@@H]1CCCO1)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000608837905 1116131471 /nfs/dbraw/zinc/13/14/71/1116131471.db2.gz XMNOIBJNXNFMTF-APWZRJJASA-N 1 0 369.465 4.410 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4ccccc43)CC2)s1 ZINC000064029272 1116135132 /nfs/dbraw/zinc/13/51/32/1116135132.db2.gz LQNZDXSRPUELQB-UHFFFAOYSA-N 1 0 353.447 4.132 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3Cc3ccccc3)co2)cc1 ZINC000534079383 1116156746 /nfs/dbraw/zinc/15/67/46/1116156746.db2.gz GFQLDLKGXUYQEJ-HXUWFJFHSA-N 1 0 363.417 4.457 20 5 FIBDRO C[C@@]1([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCOC1 ZINC000534449948 1116202791 /nfs/dbraw/zinc/20/27/91/1116202791.db2.gz AMRFIZANAPXGII-GOSISDBHSA-N 1 0 362.813 4.309 20 5 FIBDRO C[C@@H](CO)CCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000535369638 1116299791 /nfs/dbraw/zinc/29/97/91/1116299791.db2.gz MEPHRFXWBYYTCB-CQSZACIVSA-N 1 0 362.401 4.024 20 5 FIBDRO C[C@@H](CCc1ccc(Cl)s1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446848280 1116315980 /nfs/dbraw/zinc/31/59/80/1116315980.db2.gz GLUMYKCRFGSRGM-JTQLQIEISA-N 1 0 364.858 4.297 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000152789788 1116332320 /nfs/dbraw/zinc/33/23/20/1116332320.db2.gz QGFXJAZHQBHTNT-CVEARBPZSA-N 1 0 357.429 4.219 20 5 FIBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCC2 ZINC000089909914 1116351984 /nfs/dbraw/zinc/35/19/84/1116351984.db2.gz NFJULJVCPGNJHT-MSOLQXFVSA-N 1 0 371.437 4.029 20 5 FIBDRO CC[NH+]1CCN(c2ccc(N[C@@H](C)c3cccc([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000539610120 1116352227 /nfs/dbraw/zinc/35/22/27/1116352227.db2.gz QLPMOUKQLCYGIH-KRWDZBQOSA-N 1 0 368.481 4.218 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H]3C3CCOCC3)cs2)c1 ZINC000539670264 1116363614 /nfs/dbraw/zinc/36/36/14/1116363614.db2.gz SJEYWXCZMDZXJS-SFHVURJKSA-N 1 0 373.478 4.109 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+][C@@]2(C)CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000539808172 1116383188 /nfs/dbraw/zinc/38/31/88/1116383188.db2.gz YGISILVRZHBZGD-NRFANRHFSA-N 1 0 367.449 4.073 20 5 FIBDRO Cn1ccnc1[C@@H]([NH2+]C1CCC(C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595093917 1117740371 /nfs/dbraw/zinc/74/03/71/1117740371.db2.gz PUOBSGXBUUGBBB-NLPFYKDJSA-N 1 0 368.481 4.366 20 5 FIBDRO COc1ccc(C[NH2+]CC(C)(C)c2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000462735842 1117741579 /nfs/dbraw/zinc/74/15/79/1117741579.db2.gz QXRWHIBUIHKAKZ-UHFFFAOYSA-N 1 0 366.820 4.463 20 5 FIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)cc1 ZINC000462753182 1117745659 /nfs/dbraw/zinc/74/56/59/1117745659.db2.gz JQCZEUFYGXQUOA-UHFFFAOYSA-N 1 0 368.412 4.032 20 5 FIBDRO C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C[C@H]1CCC[C@H]1O ZINC000539912642 1117749881 /nfs/dbraw/zinc/74/98/81/1117749881.db2.gz FFFUGWPMAHLDCP-DNVCBOLYSA-N 1 0 374.412 4.119 20 5 FIBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C12CCC2 ZINC000462762632 1117753694 /nfs/dbraw/zinc/75/36/94/1117753694.db2.gz KQLQNSRIVJQNEB-RBUKOAKNSA-N 1 0 356.422 4.292 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)c1ccc(F)cc1F ZINC000462755993 1117756449 /nfs/dbraw/zinc/75/64/49/1117756449.db2.gz NJTXPSPIXGGAJD-LBPRGKRZSA-N 1 0 350.365 4.165 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000462789374 1117773319 /nfs/dbraw/zinc/77/33/19/1117773319.db2.gz IYHHYHFNRIRRKV-ZDUSSCGKSA-N 1 0 357.401 4.263 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC(C)(C)CCCO)cc1[N+](=O)[O-] ZINC000540068972 1117853277 /nfs/dbraw/zinc/85/32/77/1117853277.db2.gz KEFISMDWMCQCOZ-UHFFFAOYSA-N 1 0 371.481 4.251 20 5 FIBDRO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540155964 1117908477 /nfs/dbraw/zinc/90/84/77/1117908477.db2.gz OQGNXUNEBGSDDE-KBPBESRZSA-N 1 0 371.437 4.282 20 5 FIBDRO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540155965 1117908875 /nfs/dbraw/zinc/90/88/75/1117908875.db2.gz OQGNXUNEBGSDDE-KGLIPLIRSA-N 1 0 371.437 4.282 20 5 FIBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1sccc1Br ZINC000540173343 1117914761 /nfs/dbraw/zinc/91/47/61/1117914761.db2.gz CYCACGQYWNFPAX-JTQLQIEISA-N 1 0 371.256 4.148 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@H]1CCCC[C@H]1O ZINC000540164967 1117917924 /nfs/dbraw/zinc/91/79/24/1117917924.db2.gz PTJIBKYQDRLHGR-JFIYKMOQSA-N 1 0 366.527 4.386 20 5 FIBDRO CCOc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1OC ZINC000540189558 1117921369 /nfs/dbraw/zinc/92/13/69/1117921369.db2.gz UEYSPVLMGODVJJ-GOSISDBHSA-N 1 0 370.449 4.113 20 5 FIBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000540186962 1117927692 /nfs/dbraw/zinc/92/76/92/1117927692.db2.gz PNGNJWWSJZVSLT-OAHLLOKOSA-N 1 0 355.438 4.227 20 5 FIBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1 ZINC000540354585 1117999410 /nfs/dbraw/zinc/99/94/10/1117999410.db2.gz OFOAPPRGGYIPMP-WBVHZDCISA-N 1 0 355.438 4.280 20 5 FIBDRO CCC[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000540343082 1118003053 /nfs/dbraw/zinc/00/30/53/1118003053.db2.gz NOBJTKFQXPELHE-SFHVURJKSA-N 1 0 355.438 4.363 20 5 FIBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000463188688 1118006842 /nfs/dbraw/zinc/00/68/42/1118006842.db2.gz HLUAXVJWQQSQDI-UHFFFAOYSA-N 1 0 373.884 4.045 20 5 FIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000540375024 1118009880 /nfs/dbraw/zinc/00/98/80/1118009880.db2.gz AUJONOUZMRVBCC-JTQLQIEISA-N 1 0 368.220 4.191 20 5 FIBDRO COc1ccc(OCC[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000540361434 1118015149 /nfs/dbraw/zinc/01/51/49/1118015149.db2.gz FTDSGRUFIPMWKR-HNNXBMFYSA-N 1 0 374.437 4.120 20 5 FIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000463205263 1118020597 /nfs/dbraw/zinc/02/05/97/1118020597.db2.gz MGKRXCYXHKAGLO-UHFFFAOYSA-N 1 0 353.466 4.176 20 5 FIBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000540380514 1118032623 /nfs/dbraw/zinc/03/26/23/1118032623.db2.gz NZPFNUSAJQDURH-AWEZNQCLSA-N 1 0 354.328 4.257 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000540514601 1118102068 /nfs/dbraw/zinc/10/20/68/1118102068.db2.gz QUWMZZJDEKZAGR-WMHRWZGDSA-N 1 0 355.438 4.018 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000540604199 1118144495 /nfs/dbraw/zinc/14/44/95/1118144495.db2.gz UXWJWYSZSLYTGU-HYXAFXHYSA-N 1 0 367.380 4.234 20 5 FIBDRO C[C@H](CCO)C1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000540609277 1118148791 /nfs/dbraw/zinc/14/87/91/1118148791.db2.gz ZZKROTPOFGZTBP-LMMKCTJWSA-N 1 0 360.498 4.084 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H]3CCCCC34CCCC4)n2)c1 ZINC000463452975 1118162229 /nfs/dbraw/zinc/16/22/29/1118162229.db2.gz SUDXBTFEAIJVGE-INIZCTEOSA-N 1 0 356.426 4.237 20 5 FIBDRO C[C@H](CCO)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1 ZINC000540643642 1118170152 /nfs/dbraw/zinc/17/01/52/1118170152.db2.gz NYWBVXRVJHYVRS-OAHLLOKOSA-N 1 0 358.438 4.133 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000540780436 1118243156 /nfs/dbraw/zinc/24/31/56/1118243156.db2.gz ZSKMPIXNTYHNAG-UAGQMJEPSA-N 1 0 350.459 4.238 20 5 FIBDRO Cn1cc(C[NH2+]CCC2=CCCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463700510 1118288485 /nfs/dbraw/zinc/28/84/85/1118288485.db2.gz XANSWKXCYGMYNZ-UHFFFAOYSA-N 1 0 354.454 4.366 20 5 FIBDRO Cc1ccc([C@@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)cc1 ZINC000541390866 1118491831 /nfs/dbraw/zinc/49/18/31/1118491831.db2.gz VSRIJUJSQQZJKX-GOSISDBHSA-N 1 0 367.449 4.030 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000541566267 1118557312 /nfs/dbraw/zinc/55/73/12/1118557312.db2.gz JITJHYFZAPSJEH-STQMWFEESA-N 1 0 371.462 4.495 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000541626457 1118587126 /nfs/dbraw/zinc/58/71/26/1118587126.db2.gz YWFLUAGDWLRPNI-GXFFZTMASA-N 1 0 367.858 4.378 20 5 FIBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000541660318 1118600145 /nfs/dbraw/zinc/60/01/45/1118600145.db2.gz JGAYSNJJQHWTRA-AWEZNQCLSA-N 1 0 369.446 4.448 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000541773208 1118645347 /nfs/dbraw/zinc/64/53/47/1118645347.db2.gz RYLFPSSGZGQSIR-SFHVURJKSA-N 1 0 354.406 4.012 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464761510 1118684535 /nfs/dbraw/zinc/68/45/35/1118684535.db2.gz FEXLDYGEPTZLLS-OAHLLOKOSA-N 1 0 358.463 4.218 20 5 FIBDRO COCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000090217473 1118712142 /nfs/dbraw/zinc/71/21/42/1118712142.db2.gz MQKAFGZJLIHZDV-CVEARBPZSA-N 1 0 358.438 4.340 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000464858893 1118726634 /nfs/dbraw/zinc/72/66/34/1118726634.db2.gz XEMYLJGEDXUHOU-KBXCAEBGSA-N 1 0 371.437 4.298 20 5 FIBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](CCO)c1ccccc1 ZINC000549861110 1118944394 /nfs/dbraw/zinc/94/43/94/1118944394.db2.gz ZJKDIOAURIMJNW-KRWDZBQOSA-N 1 0 368.355 4.169 20 5 FIBDRO CC(C)([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000491999829 1119001924 /nfs/dbraw/zinc/00/19/24/1119001924.db2.gz MTQHHWTUXFCCBC-UHFFFAOYSA-N 1 0 354.328 4.360 20 5 FIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000492107327 1119025371 /nfs/dbraw/zinc/02/53/71/1119025371.db2.gz OZWAORLIDUTWPQ-KFWWJZLASA-N 1 0 351.878 4.085 20 5 FIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000492107335 1119025587 /nfs/dbraw/zinc/02/55/87/1119025587.db2.gz OZWAORLIDUTWPQ-ZNMIVQPWSA-N 1 0 351.878 4.085 20 5 FIBDRO CCOc1cc(C[N@H+](C)Cc2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-] ZINC000492357096 1119077603 /nfs/dbraw/zinc/07/76/03/1119077603.db2.gz MJTGZHOWLFRHQX-UHFFFAOYSA-N 1 0 366.364 4.227 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OCC)c2)cc1OC ZINC000492580814 1119135897 /nfs/dbraw/zinc/13/58/97/1119135897.db2.gz FUEWOUMKQGPZLE-CQSZACIVSA-N 1 0 374.437 4.252 20 5 FIBDRO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000460924883 1119170930 /nfs/dbraw/zinc/17/09/30/1119170930.db2.gz HAZWFSPCNWUFLD-UHFFFAOYSA-N 1 0 367.449 4.152 20 5 FIBDRO CCOc1cc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492766554 1119183067 /nfs/dbraw/zinc/18/30/67/1119183067.db2.gz FZGAEDHPUBRCEN-IBGZPJMESA-N 1 0 370.449 4.032 20 5 FIBDRO CCOc1cc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492766559 1119183118 /nfs/dbraw/zinc/18/31/18/1119183118.db2.gz FZGAEDHPUBRCEN-LJQANCHMSA-N 1 0 370.449 4.032 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000492936290 1119217518 /nfs/dbraw/zinc/21/75/18/1119217518.db2.gz LDHBJMYLXUSBJY-LLVKDONJSA-N 1 0 354.328 4.473 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)ccc1[N+](=O)[O-] ZINC000493011730 1119243205 /nfs/dbraw/zinc/24/32/05/1119243205.db2.gz VPISOHIKSLGICL-NSHDSACASA-N 1 0 352.337 4.056 20 5 FIBDRO Cc1nc(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000493227563 1119353721 /nfs/dbraw/zinc/35/37/21/1119353721.db2.gz KHQBFKSFEMXCRM-HXUWFJFHSA-N 1 0 351.406 4.121 20 5 FIBDRO C[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000761524524 1119411596 /nfs/dbraw/zinc/41/15/96/1119411596.db2.gz FKDVVUXMIIPQJG-CRAIPNDOSA-N 1 0 373.884 4.391 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl ZINC000761533576 1119413964 /nfs/dbraw/zinc/41/39/64/1119413964.db2.gz VNPFKQNXZSGEEZ-UHFFFAOYSA-N 1 0 370.192 4.142 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCCc2nccs2)c2ccccc2)c1 ZINC000494027178 1119526910 /nfs/dbraw/zinc/52/69/10/1119526910.db2.gz GMFSZJFRBXGIKU-LJQANCHMSA-N 1 0 353.447 4.363 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@H]3CCOC3)o2)c(Cl)c1 ZINC000542482308 1119841029 /nfs/dbraw/zinc/84/10/29/1119841029.db2.gz JTTNPXJTNFVCSJ-LBPRGKRZSA-N 1 0 350.802 4.024 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2c[nH]c3ccc(Br)cc23)cc1 ZINC000542483824 1119884048 /nfs/dbraw/zinc/88/40/48/1119884048.db2.gz RJLFZXIZSLOZBS-UHFFFAOYSA-N 1 0 374.238 4.171 20 5 FIBDRO Cc1c(C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000494980284 1120407923 /nfs/dbraw/zinc/40/79/23/1120407923.db2.gz PKYHVNULWKLPOI-DNVCBOLYSA-N 1 0 358.413 4.300 20 5 FIBDRO CCCNc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000193157107 1120468199 /nfs/dbraw/zinc/46/81/99/1120468199.db2.gz KHZPFOMTXVNMMZ-UHFFFAOYSA-N 1 0 365.380 4.308 20 5 FIBDRO Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193277070 1120649504 /nfs/dbraw/zinc/64/95/04/1120649504.db2.gz LPBXZVWLFBROEO-NRFANRHFSA-N 1 0 362.433 4.256 20 5 FIBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000495367753 1120751596 /nfs/dbraw/zinc/75/15/96/1120751596.db2.gz CWKNYTZBTMDZLD-GFCCVEGCSA-N 1 0 361.829 4.100 20 5 FIBDRO CCc1nc2c(s1)[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000495373619 1120758778 /nfs/dbraw/zinc/75/87/78/1120758778.db2.gz GSDCHHAHAFEEGA-ZDUSSCGKSA-N 1 0 365.886 4.477 20 5 FIBDRO COc1ccc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000495372855 1120759572 /nfs/dbraw/zinc/75/95/72/1120759572.db2.gz BNTUBZPIDUVCEX-GFCCVEGCSA-N 1 0 364.829 4.159 20 5 FIBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000542558042 1120827383 /nfs/dbraw/zinc/82/73/83/1120827383.db2.gz YCMCEYIXDIIPIB-LLVKDONJSA-N 1 0 367.858 4.379 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH+](Cc2ccc([N+](=O)[O-])cc2)CC2CCC2)cc1 ZINC000915260079 1120903031 /nfs/dbraw/zinc/90/30/31/1120903031.db2.gz DCOBECYEWSFWGS-UHFFFAOYSA-N 1 0 355.394 4.305 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1[N+](=O)[O-] ZINC000762614130 1120939578 /nfs/dbraw/zinc/93/95/78/1120939578.db2.gz JMDXUFQIEUZBIQ-HYVNUMGLSA-N 1 0 352.525 4.187 20 5 FIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H](c2ccccc2)c2cncnc2)cc1 ZINC000542667132 1121166348 /nfs/dbraw/zinc/16/63/48/1121166348.db2.gz XJQUOUXTFSPILF-NRFANRHFSA-N 1 0 362.433 4.087 20 5 FIBDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000171764907 1121188087 /nfs/dbraw/zinc/18/80/87/1121188087.db2.gz VERXZOOAYADXEG-NSHDSACASA-N 1 0 374.828 4.401 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000153377884 1121299840 /nfs/dbraw/zinc/29/98/40/1121299840.db2.gz TUJWJGUDHAHFQC-CQSZACIVSA-N 1 0 351.406 4.393 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000153377986 1121300058 /nfs/dbraw/zinc/30/00/58/1121300058.db2.gz TUJWJGUDHAHFQC-AWEZNQCLSA-N 1 0 351.406 4.393 20 5 FIBDRO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1Nc1ccc(CO)nc1 ZINC001212387939 1122017670 /nfs/dbraw/zinc/01/76/70/1122017670.db2.gz SYNMHFHTARTBQD-UHFFFAOYSA-N 1 0 358.445 4.393 20 5 FIBDRO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000917092547 1122117640 /nfs/dbraw/zinc/11/76/40/1122117640.db2.gz YWKKBIHLPXSSOK-UHFFFAOYSA-N 1 0 358.413 4.284 20 5 FIBDRO CCC(=O)c1ccc(NC[C@H]([NH2+][C@H](C)CC)c2ccco2)c([N+](=O)[O-])c1 ZINC000553601131 1122158302 /nfs/dbraw/zinc/15/83/02/1122158302.db2.gz IYESXCLTUHGCJJ-CJNGLKHVSA-N 1 0 359.426 4.322 20 5 FIBDRO CCC(=O)c1ccc(NC[C@H]([NH2+][C@@H](C)CC)c2ccco2)c([N+](=O)[O-])c1 ZINC000553601130 1122159668 /nfs/dbraw/zinc/15/96/68/1122159668.db2.gz IYESXCLTUHGCJJ-BBRMVZONSA-N 1 0 359.426 4.322 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1 ZINC000301593314 1122235840 /nfs/dbraw/zinc/23/58/40/1122235840.db2.gz ZRPVXKGCESBQBU-QGZVFWFLSA-N 1 0 369.465 4.215 20 5 FIBDRO C[C@@H]1[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC12CCOCC2 ZINC000542708869 1122313563 /nfs/dbraw/zinc/31/35/63/1122313563.db2.gz WNRCRGDSQMXCFO-HNNXBMFYSA-N 1 0 356.422 4.246 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H](O)C(F)(F)F ZINC000498380727 1122761630 /nfs/dbraw/zinc/76/16/30/1122761630.db2.gz NDGPOPCWGKYLFK-UKRRQHHQSA-N 1 0 374.384 4.115 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000072727477 1123135706 /nfs/dbraw/zinc/13/57/06/1123135706.db2.gz QNWNZHNSGAWFPM-AWEZNQCLSA-N 1 0 356.422 4.071 20 5 FIBDRO CC[N@H+](C)Cc1cccc(CNc2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC000301221780 1123396081 /nfs/dbraw/zinc/39/60/81/1123396081.db2.gz CHIKTZOZISTCTA-UHFFFAOYSA-N 1 0 350.422 4.207 20 5 FIBDRO CC(C)c1ccc(C(C)(C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000609358724 1123689628 /nfs/dbraw/zinc/68/96/28/1123689628.db2.gz VKSZYXXEJXSTIA-UHFFFAOYSA-N 1 0 369.465 4.206 20 5 FIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000609800966 1123839853 /nfs/dbraw/zinc/83/98/53/1123839853.db2.gz YCNJHRSWIWOITO-LJQANCHMSA-N 1 0 358.463 4.154 20 5 FIBDRO C[C@@H]1C[C@H](N(C)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000609964790 1123898746 /nfs/dbraw/zinc/89/87/46/1123898746.db2.gz MDICQIURRBAQBO-CRAIPNDOSA-N 1 0 357.429 4.223 20 5 FIBDRO CC[C@H]([NH2+]CCc1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000610008772 1123915331 /nfs/dbraw/zinc/91/53/31/1123915331.db2.gz RBLBGRKKLVYNML-INIZCTEOSA-N 1 0 362.401 4.035 20 5 FIBDRO C[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000237594567 1123990758 /nfs/dbraw/zinc/99/07/58/1123990758.db2.gz QOBBJNRDNFQZPX-CRAIPNDOSA-N 1 0 373.884 4.391 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000615724147 1124107926 /nfs/dbraw/zinc/10/79/26/1124107926.db2.gz NJLIGQFKINUDKL-DZXKJOIRSA-N 1 0 373.403 4.145 20 5 FIBDRO COc1ccc2c(c1)CC[C@H]([NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C2 ZINC000615727444 1124108745 /nfs/dbraw/zinc/10/87/45/1124108745.db2.gz VZQCBVFSLSKCKQ-XZGNNNQISA-N 1 0 352.434 4.154 20 5 FIBDRO CCCCN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000068225389 1124126138 /nfs/dbraw/zinc/12/61/38/1124126138.db2.gz CBJUVQYNUXLSIR-UHFFFAOYSA-N 1 0 361.486 4.146 20 5 FIBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)cc1 ZINC000765848139 1124151745 /nfs/dbraw/zinc/15/17/45/1124151745.db2.gz GAVCTYRZYYSVBI-HOTGVXAUSA-N 1 0 367.232 4.212 20 5 FIBDRO CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000615966653 1124188050 /nfs/dbraw/zinc/18/80/50/1124188050.db2.gz GTZVEGFWYHVPFG-NEWSRXKRSA-N 1 0 370.497 4.069 20 5 FIBDRO CC[NH+](CC)Cc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)o1 ZINC000056988246 1124254361 /nfs/dbraw/zinc/25/43/61/1124254361.db2.gz AFSLVXMKRDOXFD-UHFFFAOYSA-N 1 0 373.453 4.080 20 5 FIBDRO Cc1cc(NC[C@H](CCO)c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181506250 1124987052 /nfs/dbraw/zinc/98/70/52/1124987052.db2.gz SEYAVNVLFQNTNC-INIZCTEOSA-N 1 0 351.406 4.030 20 5 FIBDRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000181809876 1125141831 /nfs/dbraw/zinc/14/18/31/1125141831.db2.gz SVSNDOLNFIZGFU-ZDUSSCGKSA-N 1 0 361.829 4.154 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3cccc(F)c3)cs2)c1 ZINC000113315500 1125149468 /nfs/dbraw/zinc/14/94/68/1125149468.db2.gz XJRGJCGYZWNWAY-UHFFFAOYSA-N 1 0 357.410 4.190 20 5 FIBDRO CCCC[NH+]1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000113330186 1125151306 /nfs/dbraw/zinc/15/13/06/1125151306.db2.gz KCLFTCMLBMESDB-UHFFFAOYSA-N 1 0 374.510 4.072 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCOC3CCCC3)cs2)c1 ZINC000113331080 1125151873 /nfs/dbraw/zinc/15/18/73/1125151873.db2.gz YJNBQZPLGJIJKD-UHFFFAOYSA-N 1 0 361.467 4.157 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)CCC2 ZINC000618569065 1125208359 /nfs/dbraw/zinc/20/83/59/1125208359.db2.gz AMOXDHCSOGHPOP-LEWJYISDSA-N 1 0 362.433 4.200 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000067962385 221309716 /nfs/dbraw/zinc/30/97/16/221309716.db2.gz XTTAMLXZNGPOCJ-IBGZPJMESA-N 1 0 371.412 4.208 20 5 FIBDRO C[C@@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000568131661 567911679 /nfs/dbraw/zinc/91/16/79/567911679.db2.gz MWBMHWJQLBGDIV-CQSZACIVSA-N 1 0 372.494 4.313 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000481539512 568031225 /nfs/dbraw/zinc/03/12/25/568031225.db2.gz YUBFPOPXPKCBNM-CVEARBPZSA-N 1 0 357.429 4.219 20 5 FIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000482071875 568253845 /nfs/dbraw/zinc/25/38/45/568253845.db2.gz HKRYCWBKFVWWPM-DNVCBOLYSA-N 1 0 370.453 4.025 20 5 FIBDRO Cc1cccc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000569386201 568400089 /nfs/dbraw/zinc/40/00/89/568400089.db2.gz WFRQKJITAOBGRX-AEFFLSMTSA-N 1 0 367.449 4.028 20 5 FIBDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000182022183 568468077 /nfs/dbraw/zinc/46/80/77/568468077.db2.gz AXQCLWBFYNYVAH-SNVBAGLBSA-N 1 0 368.220 4.191 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000182720390 1125610175 /nfs/dbraw/zinc/61/01/75/1125610175.db2.gz GKMRWPJAARGDCV-GOEBONIOSA-N 1 0 363.458 4.035 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c(Cl)c1 ZINC000619722732 1125668011 /nfs/dbraw/zinc/66/80/11/1125668011.db2.gz XFYXHOMCMVMHOK-HNNXBMFYSA-N 1 0 374.872 4.161 20 5 FIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000619783845 1125696123 /nfs/dbraw/zinc/69/61/23/1125696123.db2.gz LVKJPVGRODWGHU-HXUWFJFHSA-N 1 0 371.456 4.124 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186942998 1079747310 /nfs/dbraw/zinc/74/73/10/1079747310.db2.gz ZNDPMNJTCFEESC-MRXNPFEDSA-N 1 0 372.440 4.173 20 5 FIBDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000608836568 1079831924 /nfs/dbraw/zinc/83/19/24/1079831924.db2.gz UJGJOBNXBQPOGP-QWRGUYRKSA-N 1 0 365.227 4.363 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)c([N+](=O)[O-])cc1F ZINC001167069509 1079984293 /nfs/dbraw/zinc/98/42/93/1079984293.db2.gz CARWAXIOTXOCTH-KRWDZBQOSA-N 1 0 358.413 4.340 20 5 FIBDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@H]2CCO[C@H]21 ZINC000247100786 1080793075 /nfs/dbraw/zinc/79/30/75/1080793075.db2.gz VDWPJKHBXLSEMX-ZTFGCOKTSA-N 1 0 358.463 4.226 20 5 FIBDRO COc1cc(C[N@H+](CCc2ccccc2)CC(C)C)c([N+](=O)[O-])cc1F ZINC001167193345 1080820249 /nfs/dbraw/zinc/82/02/49/1080820249.db2.gz VOCJOLKOWPRYLY-UHFFFAOYSA-N 1 0 360.429 4.443 20 5 FIBDRO CCOc1cc(C[NH2+][C@H](CC)c2ccc(OC)c(OC)c2)ccc1[N+](=O)[O-] ZINC000510242801 1080857083 /nfs/dbraw/zinc/85/70/83/1080857083.db2.gz QEHQUINHTRZOPP-MRXNPFEDSA-N 1 0 374.437 4.252 20 5 FIBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(Cc3ccc(F)cc3)CC2)cc1 ZINC001167271302 1080936755 /nfs/dbraw/zinc/93/67/55/1080936755.db2.gz ZOHJTKQTNMMLFU-UHFFFAOYSA-N 1 0 372.440 4.458 20 5 FIBDRO C[C@@H](O)CC(C)(C)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610271165 1080986963 /nfs/dbraw/zinc/98/69/63/1080986963.db2.gz YWBRFEWKVHIRAZ-MRXNPFEDSA-N 1 0 371.481 4.249 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000610271093 1080995665 /nfs/dbraw/zinc/99/56/65/1080995665.db2.gz ZIBXJTYKFOAQPF-APWZRJJASA-N 1 0 369.465 4.003 20 5 FIBDRO CCc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC001125366761 1081039642 /nfs/dbraw/zinc/03/96/42/1081039642.db2.gz KMEPAHHPRCCCID-UHFFFAOYSA-N 1 0 367.449 4.048 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000109765396 1081180860 /nfs/dbraw/zinc/18/08/60/1081180860.db2.gz AINIYWGKLTVXSG-AWEZNQCLSA-N 1 0 350.422 4.412 20 5 FIBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000177353474 1081211403 /nfs/dbraw/zinc/21/14/03/1081211403.db2.gz NTGISUKTWKTYRZ-AWEZNQCLSA-N 1 0 373.478 4.084 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000177480100 1081223311 /nfs/dbraw/zinc/22/33/11/1081223311.db2.gz VPJUWYZUYGSWDW-BMFZPTHFSA-N 1 0 355.438 4.012 20 5 FIBDRO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000610340660 1081495120 /nfs/dbraw/zinc/49/51/20/1081495120.db2.gz MQUTXMFWWIDNIT-KRWDZBQOSA-N 1 0 353.466 4.432 20 5 FIBDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001167406751 1081963513 /nfs/dbraw/zinc/96/35/13/1081963513.db2.gz VLKYRXGSBGYNCV-CQSZACIVSA-N 1 0 364.833 4.309 20 5 FIBDRO CCC[C@H]([NH2+]Cc1ccccc1Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000119265670 1082072936 /nfs/dbraw/zinc/07/29/36/1082072936.db2.gz QAFNJDAPUBOYMQ-NRFANRHFSA-N 1 0 364.449 4.471 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471611376 1082090487 /nfs/dbraw/zinc/09/04/87/1082090487.db2.gz PYNUIBZPFRDIDE-GCKMJXCFSA-N 1 0 371.481 4.336 20 5 FIBDRO O=[N+]([O-])c1ccc(NC[C@H](c2cccs2)[NH+]2CCCC2)c2ccncc21 ZINC000068836734 1082101457 /nfs/dbraw/zinc/10/14/57/1082101457.db2.gz IWNMQRLWCWMACR-GOSISDBHSA-N 1 0 368.462 4.454 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-] ZINC000177851222 1082204410 /nfs/dbraw/zinc/20/44/10/1082204410.db2.gz NVNJNHSCJPNTEZ-ZDUSSCGKSA-N 1 0 361.829 4.154 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000156703730 1082239792 /nfs/dbraw/zinc/23/97/92/1082239792.db2.gz DOEIDHMYHMVCBO-JKSUJKDBSA-N 1 0 367.449 4.442 20 5 FIBDRO CN(C)c1cccnc1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000581220940 1082382214 /nfs/dbraw/zinc/38/22/14/1082382214.db2.gz RNEYMVVKMUBAQA-UHFFFAOYSA-N 1 0 368.462 4.074 20 5 FIBDRO CC(C)c1nc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cs1 ZINC000156950204 1082395832 /nfs/dbraw/zinc/39/58/32/1082395832.db2.gz MIYACSJHLPZHKJ-KRWDZBQOSA-N 1 0 359.495 4.328 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cc1[N+](=O)[O-] ZINC000157125251 1082487612 /nfs/dbraw/zinc/48/76/12/1082487612.db2.gz FCBCDXFWRGHQBL-CABCVRRESA-N 1 0 369.421 4.272 20 5 FIBDRO O=[N+]([O-])c1sccc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000610469428 1082562870 /nfs/dbraw/zinc/56/28/70/1082562870.db2.gz ODPYIZKIKSEFAP-LJQANCHMSA-N 1 0 357.479 4.149 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](C)c3ccncc3)o2)c([N+](=O)[O-])c1 ZINC000610517797 1082729744 /nfs/dbraw/zinc/72/97/44/1082729744.db2.gz UKAYFUQICBXSBE-AWEZNQCLSA-N 1 0 367.405 4.152 20 5 FIBDRO COc1cc(Br)ccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000187439846 1082940964 /nfs/dbraw/zinc/94/09/64/1082940964.db2.gz CLPFHIWYCAHXNG-LLVKDONJSA-N 1 0 365.227 4.217 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@@H](Cn2cccn2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000610821893 1082964408 /nfs/dbraw/zinc/96/44/08/1082964408.db2.gz NWLYZKIQJHYUEO-LPHOPBHVSA-N 1 0 350.422 4.192 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510473140 1082966479 /nfs/dbraw/zinc/96/64/79/1082966479.db2.gz PSOOYRPPTNTGGI-CRAIPNDOSA-N 1 0 350.422 4.261 20 5 FIBDRO CC(C)([NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000175986683 1083042747 /nfs/dbraw/zinc/04/27/47/1083042747.db2.gz MMTJDJHLQMCEIG-FQEVSTJZSA-N 1 0 370.449 4.178 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCC[C@H]3Cc3ccccc3)nc2c1 ZINC000610581514 1083207156 /nfs/dbraw/zinc/20/71/56/1083207156.db2.gz OQXOCCXVUMVIKE-INIZCTEOSA-N 1 0 351.406 4.333 20 5 FIBDRO O=[N+]([O-])c1cc(F)c(CN[C@@H]2CCC[C@H]2OCc2ccccc2)c(F)c1 ZINC000510632681 1083213531 /nfs/dbraw/zinc/21/35/31/1083213531.db2.gz WPPPTMGZROTUHY-RTBURBONSA-N 1 0 362.376 4.101 20 5 FIBDRO Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000610581804 1083214254 /nfs/dbraw/zinc/21/42/54/1083214254.db2.gz NVMQDVWGQKQDEZ-MRXNPFEDSA-N 1 0 351.406 4.252 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCS[C@H]4CCCC[C@H]43)o2)c1 ZINC000610619586 1083265466 /nfs/dbraw/zinc/26/54/66/1083265466.db2.gz HHJYRIRJLXNVRP-AEFFLSMTSA-N 1 0 373.478 4.152 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000610664659 1083304260 /nfs/dbraw/zinc/30/42/60/1083304260.db2.gz GXRMUMAMNNHTNQ-UHFFFAOYSA-N 1 0 353.422 4.060 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(COC)c2)cc1[N+](=O)[O-] ZINC000179425547 1083458575 /nfs/dbraw/zinc/45/85/75/1083458575.db2.gz IZGLRUWPBDMQRY-CYBMUJFWSA-N 1 0 362.401 4.130 20 5 FIBDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000510956788 1083535977 /nfs/dbraw/zinc/53/59/77/1083535977.db2.gz ANYDDILMXRULIU-UGSOOPFHSA-N 1 0 358.413 4.341 20 5 FIBDRO CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000167145125 1083631267 /nfs/dbraw/zinc/63/12/67/1083631267.db2.gz SFLQLDKONYUVJA-QGZVFWFLSA-N 1 0 372.465 4.478 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccccc1C ZINC000535777043 1083651522 /nfs/dbraw/zinc/65/15/22/1083651522.db2.gz IKQFSXSYSBZZPB-NVXWUHKLSA-N 1 0 360.479 4.097 20 5 FIBDRO O=[N+]([O-])c1ccc(F)cc1CN(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000177159872 1083689116 /nfs/dbraw/zinc/68/91/16/1083689116.db2.gz ZJQXLGMSFTVWBJ-LJQANCHMSA-N 1 0 370.380 4.063 20 5 FIBDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000610812888 1083739067 /nfs/dbraw/zinc/73/90/67/1083739067.db2.gz OJKQOUORXZWQGQ-CRAIPNDOSA-N 1 0 361.392 4.193 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](Cc1nccn1C)c1ccccc1 ZINC000610828109 1083744732 /nfs/dbraw/zinc/74/47/32/1083744732.db2.gz KNLDZYKFAZPAGN-UZLBHIALSA-N 1 0 364.449 4.271 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@H](Cc2nccn2C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000610828045 1083744870 /nfs/dbraw/zinc/74/48/70/1083744870.db2.gz HVFSEWCBCGVQBS-VQIMIIECSA-N 1 0 364.449 4.271 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](Cc1nccn1C)c1ccccc1 ZINC000610828107 1083744958 /nfs/dbraw/zinc/74/49/58/1083744958.db2.gz KNLDZYKFAZPAGN-OXJNMPFZSA-N 1 0 364.449 4.271 20 5 FIBDRO CC[C@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610828237 1083745745 /nfs/dbraw/zinc/74/57/45/1083745745.db2.gz PLBITZWCAYJNTK-PMACEKPBSA-N 1 0 364.449 4.353 20 5 FIBDRO COc1ccc2[nH]cc(CC[NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3C)c2c1 ZINC000610817686 1083748121 /nfs/dbraw/zinc/74/81/21/1083748121.db2.gz KPOIHBRSZOQTRG-CQSZACIVSA-N 1 0 353.422 4.286 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC([C@@H]4CCOC4)CC3)o2)cc1 ZINC000612402071 1083776580 /nfs/dbraw/zinc/77/65/80/1083776580.db2.gz CAJVLPAIDIZZMV-QGZVFWFLSA-N 1 0 356.422 4.103 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C)nc1N1CCCC1 ZINC000615727455 1083845973 /nfs/dbraw/zinc/84/59/73/1083845973.db2.gz XGMRCNWUEQUZOO-VBKFSLOCSA-N 1 0 366.465 4.092 20 5 FIBDRO Cc1cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1C[NH+](C)C ZINC000458313719 1083892248 /nfs/dbraw/zinc/89/22/48/1083892248.db2.gz JJQNHRNKOCMAFZ-AWEZNQCLSA-N 1 0 373.478 4.084 20 5 FIBDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3c(F)cccc3[N+](=O)[O-])c2C1 ZINC001125799779 1084016095 /nfs/dbraw/zinc/01/60/95/1084016095.db2.gz OYUPFPTUVFCXST-UHFFFAOYSA-N 1 0 371.412 4.348 20 5 FIBDRO CCOc1ccc([C@H](C)N[C@@H](C)c2nnc([C@@H](C)CC)[nH]2)cc1[N+](=O)[O-] ZINC000277209532 1084017533 /nfs/dbraw/zinc/01/75/33/1084017533.db2.gz KFABKNATVYOBRF-AVGNSLFASA-N 1 0 361.446 4.037 20 5 FIBDRO Cc1cc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1F ZINC000538321077 1084059700 /nfs/dbraw/zinc/05/97/00/1084059700.db2.gz XWRWPSOPSVOHSB-YJYMSZOUSA-N 1 0 371.412 4.110 20 5 FIBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCO1 ZINC000538775158 1084196289 /nfs/dbraw/zinc/19/62/89/1084196289.db2.gz OKBNXGLDPKKWGR-XJKSGUPXSA-N 1 0 360.385 4.183 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000472060348 1084208506 /nfs/dbraw/zinc/20/85/06/1084208506.db2.gz SSZGWZADJLZNCI-UHFFFAOYSA-N 1 0 354.450 4.380 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000157012569 1084293379 /nfs/dbraw/zinc/29/33/79/1084293379.db2.gz QIMONNMWIHAENL-GJZGRUSLSA-N 1 0 369.421 4.272 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000539071057 1084305925 /nfs/dbraw/zinc/30/59/25/1084305925.db2.gz MHESXBKHPVLVKO-CQSZACIVSA-N 1 0 368.462 4.315 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177846592 1084375127 /nfs/dbraw/zinc/37/51/27/1084375127.db2.gz CKIMNRQTZYHVTK-HXUWFJFHSA-N 1 0 367.449 4.072 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)C(C)(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000539255002 1084441127 /nfs/dbraw/zinc/44/11/27/1084441127.db2.gz HARANFVPTXOCKK-MRXNPFEDSA-N 1 0 369.465 4.188 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000581677007 1084583703 /nfs/dbraw/zinc/58/37/03/1084583703.db2.gz NLFXMWZHGWTHQZ-DYVFJYSZSA-N 1 0 356.422 4.340 20 5 FIBDRO COc1cc(C[NH2+]CCCCc2ccc(Cl)s2)c([N+](=O)[O-])cc1O ZINC000551235512 1084585159 /nfs/dbraw/zinc/58/51/59/1084585159.db2.gz SXLVVAYEEBPTDU-UHFFFAOYSA-N 1 0 370.858 4.136 20 5 FIBDRO COc1cc(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000381226682 1084637441 /nfs/dbraw/zinc/63/74/41/1084637441.db2.gz XGCRAGMZDYOZJN-GOEBONIOSA-N 1 0 373.428 4.065 20 5 FIBDRO CC(C)(C)c1ncc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000582144736 1084665652 /nfs/dbraw/zinc/66/56/52/1084665652.db2.gz AAPGMUBMDFMAIG-UHFFFAOYSA-N 1 0 358.467 4.162 20 5 FIBDRO CC(=O)c1cc(N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000582459073 1084695680 /nfs/dbraw/zinc/69/56/80/1084695680.db2.gz WHFCURMRJIGRHD-JLTOFOAXSA-N 1 0 355.438 4.209 20 5 FIBDRO CCc1ccc([C@H]([NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414255458 1084918737 /nfs/dbraw/zinc/91/87/37/1084918737.db2.gz JPPLDZIMMUXBJF-JZJQHEAOSA-N 1 0 358.438 4.243 20 5 FIBDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1C ZINC000511127281 1085017409 /nfs/dbraw/zinc/01/74/09/1085017409.db2.gz UOIOQOCHPLMADW-HXUWFJFHSA-N 1 0 368.433 4.415 20 5 FIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(c2ccccc2)C1 ZINC001167586224 1085183400 /nfs/dbraw/zinc/18/34/00/1085183400.db2.gz JCXAVPXIZMXJCP-SFHVURJKSA-N 1 0 359.857 4.349 20 5 FIBDRO CC(C)C1CCC([NH+]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)CC1 ZINC001167593577 1085309797 /nfs/dbraw/zinc/30/97/97/1085309797.db2.gz CBQCIZDUAQBEII-UHFFFAOYSA-N 1 0 363.477 4.066 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C[C@H](c2ccccc2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000479850970 1085317526 /nfs/dbraw/zinc/31/75/26/1085317526.db2.gz JPJGXWDLLGVFSU-DYESRHJHSA-N 1 0 353.466 4.391 20 5 FIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cc2ccccc2o1 ZINC000181758916 1085399086 /nfs/dbraw/zinc/39/90/86/1085399086.db2.gz CCRKFMXFPVFUNP-LLVKDONJSA-N 1 0 373.796 4.284 20 5 FIBDRO CC[C@H]([NH2+]CCCn1c(C)nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000480078845 1085414591 /nfs/dbraw/zinc/41/45/91/1085414591.db2.gz BHKRRJRIQGZJLB-SFHVURJKSA-N 1 0 352.438 4.384 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178640298 1085416074 /nfs/dbraw/zinc/41/60/74/1085416074.db2.gz CDSLYNAHCKGQHY-KRWDZBQOSA-N 1 0 353.466 4.432 20 5 FIBDRO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)Cc1ccsc1 ZINC000187796287 1085537227 /nfs/dbraw/zinc/53/72/27/1085537227.db2.gz FNLPERGPXVCHFV-ZDUSSCGKSA-N 1 0 372.450 4.159 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000024673536 1085691519 /nfs/dbraw/zinc/69/15/19/1085691519.db2.gz ZJPMORFAJGUCGU-INIZCTEOSA-N 1 0 367.449 4.142 20 5 FIBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000111177065 1085713298 /nfs/dbraw/zinc/71/32/98/1085713298.db2.gz ZJGKKKLRDZPFAJ-OAHLLOKOSA-N 1 0 354.454 4.142 20 5 FIBDRO COc1ccc(-c2ccc(C[N@@H+](C)C3CCC(OC)CC3)o2)c([N+](=O)[O-])c1 ZINC000093415022 1085784308 /nfs/dbraw/zinc/78/43/08/1085784308.db2.gz YKDQJUNWMAXJMX-UHFFFAOYSA-N 1 0 374.437 4.253 20 5 FIBDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000178690627 1085817512 /nfs/dbraw/zinc/81/75/12/1085817512.db2.gz GQUUFXPJEGYDRY-KBPBESRZSA-N 1 0 359.401 4.029 20 5 FIBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1c1ccccc1 ZINC000582878291 1085869380 /nfs/dbraw/zinc/86/93/80/1085869380.db2.gz OTKHWMIMVJSMJG-UZLBHIALSA-N 1 0 367.449 4.049 20 5 FIBDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000535963206 1086413626 /nfs/dbraw/zinc/41/36/26/1086413626.db2.gz KBCCVYAFUINRKT-SFHVURJKSA-N 1 0 364.449 4.226 20 5 FIBDRO C[C@@H](CNc1ccnc2c1cccc2[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000432314461 1086504440 /nfs/dbraw/zinc/50/44/40/1086504440.db2.gz QQEFPHKATBKJAU-ZDUSSCGKSA-N 1 0 368.462 4.063 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1)C(C)C ZINC000110125609 1086508678 /nfs/dbraw/zinc/50/86/78/1086508678.db2.gz XYXQQRQHGVSLNZ-MRXNPFEDSA-N 1 0 369.465 4.316 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCc1nccs1 ZINC000583279745 1086516463 /nfs/dbraw/zinc/51/64/63/1086516463.db2.gz OCKZJFWHEOVZOU-ZDUSSCGKSA-N 1 0 351.497 4.144 20 5 FIBDRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000166070373 1086594919 /nfs/dbraw/zinc/59/49/19/1086594919.db2.gz VDQZVHSUCNPTSF-IBGZPJMESA-N 1 0 361.486 4.063 20 5 FIBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000432357396 1086656464 /nfs/dbraw/zinc/65/64/64/1086656464.db2.gz LTJRDXPEWFEYNU-BZNIZROVSA-N 1 0 350.802 4.023 20 5 FIBDRO CC(C)(C)OC1CC(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000432420940 1086746252 /nfs/dbraw/zinc/74/62/52/1086746252.db2.gz NCWYBVABRAJVNI-PPSBMQLTSA-N 1 0 360.498 4.489 20 5 FIBDRO CC(=O)c1ccc(NC2CCN(Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000052467187 1086861764 /nfs/dbraw/zinc/86/17/64/1086861764.db2.gz HVYKDSYVWIWPEB-UHFFFAOYSA-N 1 0 371.412 4.013 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH+]2CCC3(CCO3)CC2)ccc1Oc1ccc(F)cc1 ZINC000548807088 1086939198 /nfs/dbraw/zinc/93/91/98/1086939198.db2.gz GNFGWGINKDVGRQ-UHFFFAOYSA-N 1 0 372.396 4.281 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@](C)(Cc1ccccc1)[C@H](C)O ZINC000584207051 1087219766 /nfs/dbraw/zinc/21/97/66/1087219766.db2.gz VJOAMHCJCAVNLW-FIKGOQFSSA-N 1 0 356.466 4.184 20 5 FIBDRO Cc1ccc([C@@H](C)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000480282596 1087331262 /nfs/dbraw/zinc/33/12/62/1087331262.db2.gz XLMXYIKAELHJDX-XLIONFOSSA-N 1 0 353.466 4.391 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000409637466 1087540263 /nfs/dbraw/zinc/54/02/63/1087540263.db2.gz HVTNSJPILOTSGD-UHFFFAOYSA-N 1 0 352.390 4.196 20 5 FIBDRO Cc1cc(N2CCCO[C@@H](c3ccccc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611925805 1087579053 /nfs/dbraw/zinc/57/90/53/1087579053.db2.gz BPWAKQQYOGBKBM-OAQYLSRUSA-N 1 0 363.417 4.419 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccccc3CO)s2)cc1 ZINC000102424328 1087697802 /nfs/dbraw/zinc/69/78/02/1087697802.db2.gz VNYBFBHNZKFZST-UHFFFAOYSA-N 1 0 354.431 4.105 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cnc3ccccc3c2)cc1[N+](=O)[O-] ZINC000504899496 1087955981 /nfs/dbraw/zinc/95/59/81/1087955981.db2.gz HXMAFPSRLRGZNW-AWEZNQCLSA-N 1 0 351.406 4.393 20 5 FIBDRO CCc1nc(CC[NH2+][C@@H](CC)CSc2ccccc2[N+](=O)[O-])cs1 ZINC000504894213 1087967643 /nfs/dbraw/zinc/96/76/43/1087967643.db2.gz KIJGYWROZWSQAS-ZDUSSCGKSA-N 1 0 365.524 4.317 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000504899677 1087970528 /nfs/dbraw/zinc/97/05/28/1087970528.db2.gz KCQLBHHEVMRBQP-HUUCEWRRSA-N 1 0 358.438 4.371 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)Oc2ccccc2F)cc1[N+](=O)[O-] ZINC000504899550 1087971955 /nfs/dbraw/zinc/97/19/55/1087971955.db2.gz IMLKTCHRBHMMSL-ZIAGYGMSSA-N 1 0 362.401 4.251 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(CC)CCOCC1 ZINC000504920322 1087973381 /nfs/dbraw/zinc/97/33/81/1087973381.db2.gz NKVMHJFUEFBDPU-OAHLLOKOSA-N 1 0 352.500 4.262 20 5 FIBDRO CCc1cnc(C[NH2+][C@H](CC)CSc2ccccc2[N+](=O)[O-])s1 ZINC000504912691 1087980527 /nfs/dbraw/zinc/98/05/27/1087980527.db2.gz ZOFAQIDZYPWIJW-GFCCVEGCSA-N 1 0 351.497 4.274 20 5 FIBDRO CC(C)[NH+]1CCC(N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180813205 1088091034 /nfs/dbraw/zinc/09/10/34/1088091034.db2.gz LZRLBYCVTKGZGN-NRFANRHFSA-N 1 0 353.466 4.147 20 5 FIBDRO COc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1Br ZINC000177856754 1088444458 /nfs/dbraw/zinc/44/44/58/1088444458.db2.gz HDZMQCWXQDXPAC-NSHDSACASA-N 1 0 365.227 4.217 20 5 FIBDRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000311306376 1088550559 /nfs/dbraw/zinc/55/05/59/1088550559.db2.gz RALXMPIAPRBUQI-CABCVRRESA-N 1 0 363.458 4.035 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3CCO)o2)c(Cl)c1 ZINC000189951332 1088703630 /nfs/dbraw/zinc/70/36/30/1088703630.db2.gz JSFRGJJNYNSAHI-SJKOYZFVSA-N 1 0 364.829 4.149 20 5 FIBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C(c3ccccc3)c3ccccc3)C2)nc1 ZINC000514085612 1088726563 /nfs/dbraw/zinc/72/65/63/1088726563.db2.gz YNQIDVWWYAJXMX-IBGZPJMESA-N 1 0 374.444 4.266 20 5 FIBDRO CC(C)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccnc1 ZINC000414558687 1088823364 /nfs/dbraw/zinc/82/33/64/1088823364.db2.gz NRDFXCKGUJACMZ-UHFFFAOYSA-N 1 0 351.406 4.317 20 5 FIBDRO CC(C)(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccnc1 ZINC000414565594 1088824195 /nfs/dbraw/zinc/82/41/95/1088824195.db2.gz ZBBMKLOTJNCUEU-UHFFFAOYSA-N 1 0 351.406 4.317 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000181520339 1088864294 /nfs/dbraw/zinc/86/42/94/1088864294.db2.gz SYLZZCJUBULOOH-HZPDHXFCSA-N 1 0 355.438 4.014 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)c1ccccc1 ZINC000181529874 1088923400 /nfs/dbraw/zinc/92/34/00/1088923400.db2.gz UXLQUZYWNYJVDB-KFWWJZLASA-N 1 0 366.421 4.488 20 5 FIBDRO C[C@@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000414859930 1088972186 /nfs/dbraw/zinc/97/21/86/1088972186.db2.gz UZXSEKXKLBUMNZ-ZBFHGGJFSA-N 1 0 373.428 4.004 20 5 FIBDRO C[C@@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000414859922 1088972684 /nfs/dbraw/zinc/97/26/84/1088972684.db2.gz UZXSEKXKLBUMNZ-GDBMZVCRSA-N 1 0 373.428 4.004 20 5 FIBDRO CCOc1cccc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000425245534 1089134878 /nfs/dbraw/zinc/13/48/78/1089134878.db2.gz WQIWTKZSKKLWGQ-HNNXBMFYSA-N 1 0 370.453 4.026 20 5 FIBDRO CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000472834887 1089699163 /nfs/dbraw/zinc/69/91/63/1089699163.db2.gz QFMNBKMGBREDFF-INIZCTEOSA-N 1 0 358.442 4.436 20 5 FIBDRO CC[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000181556715 1089801986 /nfs/dbraw/zinc/80/19/86/1089801986.db2.gz RCLMXJUFWLPHOG-UXHICEINSA-N 1 0 356.466 4.438 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1nc2ccccc2n1C ZINC000468639667 1090000790 /nfs/dbraw/zinc/00/07/90/1090000790.db2.gz GIKXPUDKSGJSQM-DTQAZKPQSA-N 1 0 364.449 4.107 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103231886 1090072398 /nfs/dbraw/zinc/07/23/98/1090072398.db2.gz OPOGNJJRLMGHTD-KRWDZBQOSA-N 1 0 374.485 4.023 20 5 FIBDRO CC[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181593597 1090374472 /nfs/dbraw/zinc/37/44/72/1090374472.db2.gz ZMSHITSMWHHGKY-KKSFZXQISA-N 1 0 368.481 4.256 20 5 FIBDRO COCCOc1ccccc1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417309554 1090803476 /nfs/dbraw/zinc/80/34/76/1090803476.db2.gz FBYJGLPOYQKLMR-HXUWFJFHSA-N 1 0 370.449 4.177 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000566474278 1090861679 /nfs/dbraw/zinc/86/16/79/1090861679.db2.gz GFTHXYGCHWYBMQ-DNVCBOLYSA-N 1 0 371.506 4.145 20 5 FIBDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236869332 1090942582 /nfs/dbraw/zinc/94/25/82/1090942582.db2.gz ZEFDLPJICOYJLP-BDJLRTHQSA-N 1 0 352.818 4.005 20 5 FIBDRO O=C(CC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500066237 1091017215 /nfs/dbraw/zinc/01/72/15/1091017215.db2.gz FWAUOQWSUVALEY-HNNXBMFYSA-N 1 0 373.840 4.066 20 5 FIBDRO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000500098158 1091037351 /nfs/dbraw/zinc/03/73/51/1091037351.db2.gz OOJQGVDENZEYAA-RDTXWAMCSA-N 1 0 371.437 4.298 20 5 FIBDRO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500099849 1091037654 /nfs/dbraw/zinc/03/76/54/1091037654.db2.gz VGBLFXRSFBSNFT-LIRRHRJNSA-N 1 0 371.412 4.146 20 5 FIBDRO O=C(CC[N@@H+]1CCCCC[C@@H]1c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000500111178 1091045888 /nfs/dbraw/zinc/04/58/88/1091045888.db2.gz ANDMICDYBFEMDW-QGZVFWFLSA-N 1 0 357.410 4.134 20 5 FIBDRO Cc1nc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c(C)o1 ZINC000500224298 1091116771 /nfs/dbraw/zinc/11/67/71/1091116771.db2.gz NHLQKCHVKZAEEA-UHFFFAOYSA-N 1 0 357.435 4.260 20 5 FIBDRO CC1CC[NH+](Cc2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc2)CC1 ZINC000053619244 1091256812 /nfs/dbraw/zinc/25/68/12/1091256812.db2.gz HZKVRQVUFQSTEK-UHFFFAOYSA-N 1 0 359.451 4.141 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000511665214 1091518680 /nfs/dbraw/zinc/51/86/80/1091518680.db2.gz OTAPHSVNMFFYKJ-UHFFFAOYSA-N 1 0 367.449 4.184 20 5 FIBDRO C[C@H](c1ccsc1)[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432133602 1091717816 /nfs/dbraw/zinc/71/78/16/1091717816.db2.gz NWMXDYZGHVNZQC-CQSZACIVSA-N 1 0 368.462 4.088 20 5 FIBDRO Cc1ccc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)cc1[N+](=O)[O-] ZINC000500462088 1092102559 /nfs/dbraw/zinc/10/25/59/1092102559.db2.gz PTRMRDPPTWHOFU-IBGZPJMESA-N 1 0 360.841 4.048 20 5 FIBDRO CC(C)c1ccc(C[NH2+]CCc2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000520951826 1092377027 /nfs/dbraw/zinc/37/70/27/1092377027.db2.gz OFWSBNMJMKBKBB-UHFFFAOYSA-N 1 0 364.449 4.236 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)o2)c1 ZINC000572688800 1092533962 /nfs/dbraw/zinc/53/39/62/1092533962.db2.gz AWUGWCAWHDOHLI-UXHICEINSA-N 1 0 368.433 4.388 20 5 FIBDRO CCOc1ccc(C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000521196470 1092573532 /nfs/dbraw/zinc/57/35/32/1092573532.db2.gz ITDMPIBGDUWOOI-UHFFFAOYSA-N 1 0 358.438 4.413 20 5 FIBDRO CCC[C@@H](O)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236929184 1092741648 /nfs/dbraw/zinc/74/16/48/1092741648.db2.gz CSXXXEPDWHBEEL-CQSZACIVSA-N 1 0 364.829 4.291 20 5 FIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000549810407 1092801417 /nfs/dbraw/zinc/80/14/17/1092801417.db2.gz LBGMLYONXJYMDA-UHFFFAOYSA-N 1 0 370.840 4.313 20 5 FIBDRO Cc1cc(N2CC[C@H](n3ncc4ccccc43)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543978346 1092865524 /nfs/dbraw/zinc/86/55/24/1092865524.db2.gz KKARGYWZEANKKI-KRWDZBQOSA-N 1 0 373.416 4.253 20 5 FIBDRO CC1CC[NH+](CCCNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000521821471 1092938834 /nfs/dbraw/zinc/93/88/34/1092938834.db2.gz XAJOZZDGVGPYCG-UHFFFAOYSA-N 1 0 357.454 4.066 20 5 FIBDRO C[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178658077 1092962794 /nfs/dbraw/zinc/96/27/94/1092962794.db2.gz YKOFKVZVAIDGLF-JEYLPNPQSA-N 1 0 363.458 4.081 20 5 FIBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@H](c1ccccc1)[NH+](C)C ZINC000439126902 1092983024 /nfs/dbraw/zinc/98/30/24/1092983024.db2.gz GIGHCHYLKKYGGF-VBKZILBWSA-N 1 0 350.422 4.246 20 5 FIBDRO O=C(CN1CCC[C@@H](c2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000433075931 1093204346 /nfs/dbraw/zinc/20/43/46/1093204346.db2.gz IKEWLDUZVMIIIL-OAHLLOKOSA-N 1 0 373.840 4.066 20 5 FIBDRO COCCOc1ccccc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433150308 1093344196 /nfs/dbraw/zinc/34/41/96/1093344196.db2.gz GCDISEPUMNGNSN-LJQANCHMSA-N 1 0 370.449 4.132 20 5 FIBDRO C[C@@H](O)CCC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000433177522 1093370305 /nfs/dbraw/zinc/37/03/05/1093370305.db2.gz ADABZOBXUGWEJK-CYBMUJFWSA-N 1 0 364.829 4.291 20 5 FIBDRO CC[NH+](CC)Cc1cccc(CNc2ccc([N+](=O)[O-])cc2COC)c1 ZINC000474140459 1093433396 /nfs/dbraw/zinc/43/33/96/1093433396.db2.gz IFWNFZKYTGOGGC-UHFFFAOYSA-N 1 0 357.454 4.195 20 5 FIBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cc1COC)c1ccsc1 ZINC000474150359 1093463035 /nfs/dbraw/zinc/46/30/35/1093463035.db2.gz BDBBZQCJBDUJLN-GOSISDBHSA-N 1 0 363.483 4.298 20 5 FIBDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000512896022 1093527062 /nfs/dbraw/zinc/52/70/62/1093527062.db2.gz SPMXDPQYRLYFLV-GOEBONIOSA-N 1 0 374.412 4.288 20 5 FIBDRO Cc1ccc(CC(C)(C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000419310767 1093538999 /nfs/dbraw/zinc/53/89/99/1093538999.db2.gz AYLUWUPVUIMVHK-UHFFFAOYSA-N 1 0 366.421 4.064 20 5 FIBDRO CC1(C)C[C@H]([NH2+]Cc2cccc3c2OCCCO3)c2cc([N+](=O)[O-])ccc21 ZINC000433294824 1093561305 /nfs/dbraw/zinc/56/13/05/1093561305.db2.gz NJXZUXJYTGAQBK-SFHVURJKSA-N 1 0 368.433 4.268 20 5 FIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ncc(C(F)(F)F)s2)cc1 ZINC000433332536 1093592767 /nfs/dbraw/zinc/59/27/67/1093592767.db2.gz WPGGSECEUOFVDG-UHFFFAOYSA-N 1 0 359.373 4.183 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419329986 1093652397 /nfs/dbraw/zinc/65/23/97/1093652397.db2.gz FSLLNZDOVSTJTI-AWEZNQCLSA-N 1 0 353.422 4.070 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419344002 1093706595 /nfs/dbraw/zinc/70/65/95/1093706595.db2.gz RKRRHUIARYPZSD-AWEZNQCLSA-N 1 0 353.422 4.070 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C2CC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419344867 1093711348 /nfs/dbraw/zinc/71/13/48/1093711348.db2.gz SKRBNRLOIMGUSO-UONOGXRCSA-N 1 0 353.422 4.150 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000474439431 1093786132 /nfs/dbraw/zinc/78/61/32/1093786132.db2.gz NBKUZDOSYPPKOJ-KXBFYZLASA-N 1 0 370.453 4.025 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000397991353 1093799417 /nfs/dbraw/zinc/79/94/17/1093799417.db2.gz ASGUQIKSZWTBSC-WFXMLNOXSA-N 1 0 367.493 4.464 20 5 FIBDRO CC(=O)c1ccc(NC2CC[NH+](Cc3ccccc3C)CC2)c([N+](=O)[O-])c1 ZINC000052406883 1093804007 /nfs/dbraw/zinc/80/40/07/1093804007.db2.gz NHUZPPQMOMDLFG-UHFFFAOYSA-N 1 0 367.449 4.182 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000182320407 1093815978 /nfs/dbraw/zinc/81/59/78/1093815978.db2.gz QTPZAVGYMGNOGG-HNNXBMFYSA-N 1 0 351.406 4.452 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000513124095 1093861841 /nfs/dbraw/zinc/86/18/41/1093861841.db2.gz ZFSVLBQLXAPVHB-QTWIXLPOSA-N 1 0 366.417 4.216 20 5 FIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cc(Br)cs1 ZINC000404175075 1093898993 /nfs/dbraw/zinc/89/89/93/1093898993.db2.gz HHPRNBABFARAPQ-UHFFFAOYSA-N 1 0 355.257 4.093 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000120644204 1093908347 /nfs/dbraw/zinc/90/83/47/1093908347.db2.gz VIWAETSVFNFUFF-PMACEKPBSA-N 1 0 370.449 4.312 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513247152 1094034397 /nfs/dbraw/zinc/03/43/97/1094034397.db2.gz KLJNWGKVBREEKH-FOIQADDNSA-N 1 0 367.449 4.315 20 5 FIBDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000513256908 1094039759 /nfs/dbraw/zinc/03/97/59/1094039759.db2.gz OKOGUIDEMRCSBI-KBXCAEBGSA-N 1 0 364.405 4.228 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000513440870 1094127369 /nfs/dbraw/zinc/12/73/69/1094127369.db2.gz YLELTWYYFXKICZ-SVEBXFOSSA-N 1 0 352.390 4.174 20 5 FIBDRO COCc1ccccc1/C=C(/C)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000513552676 1094209972 /nfs/dbraw/zinc/20/99/72/1094209972.db2.gz CXUADBBUVCGBNI-LGMDPLHJSA-N 1 0 354.450 4.319 20 5 FIBDRO Cc1noc(C[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277132263 1094280758 /nfs/dbraw/zinc/28/07/58/1094280758.db2.gz OQCCTHXXRSHEDV-KSSFIOAISA-N 1 0 366.421 4.229 20 5 FIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(Br)cs1 ZINC000226395170 1094284025 /nfs/dbraw/zinc/28/40/25/1094284025.db2.gz UFTFINOMPBVZEN-SNVBAGLBSA-N 1 0 355.257 4.312 20 5 FIBDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000474600143 1094402118 /nfs/dbraw/zinc/40/21/18/1094402118.db2.gz UOGZXKLQOYGLQM-RBSFLKMASA-N 1 0 358.438 4.455 20 5 FIBDRO O=C(CC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000500989009 1094403873 /nfs/dbraw/zinc/40/38/73/1094403873.db2.gz JVSCMJRPDACMND-HHNLSAEISA-N 1 0 365.433 4.101 20 5 FIBDRO CN(Cc1cc(Cl)c2c(c1)OCCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000501758559 1094916447 /nfs/dbraw/zinc/91/64/47/1094916447.db2.gz UPIIGDISRWABSL-UHFFFAOYSA-N 1 0 362.813 4.042 20 5 FIBDRO COc1cc(C[NH2+]CC2CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237135337 1095106817 /nfs/dbraw/zinc/10/68/17/1095106817.db2.gz BAEKCYCSEJGOCC-UHFFFAOYSA-N 1 0 356.422 4.072 20 5 FIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cnn(C2CCCC2)c1 ZINC000502412225 1095435046 /nfs/dbraw/zinc/43/50/46/1095435046.db2.gz CENHJXFYVXYQRQ-CYBMUJFWSA-N 1 0 362.861 4.453 20 5 FIBDRO CC[C@@H]1C[C@]1([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(C)c1 ZINC000502482325 1095512248 /nfs/dbraw/zinc/51/22/48/1095512248.db2.gz QGAICAFVRCNIBW-JLTOFOAXSA-N 1 0 350.422 4.195 20 5 FIBDRO CC[C@H]1C[C@]1([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502484227 1095514086 /nfs/dbraw/zinc/51/40/86/1095514086.db2.gz WVHVOKMFRGYRSO-HRAATJIYSA-N 1 0 367.449 4.065 20 5 FIBDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000183552267 1095522714 /nfs/dbraw/zinc/52/27/14/1095522714.db2.gz UVODULJUPPLSGM-KGLIPLIRSA-N 1 0 367.405 4.327 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)c1ccc(Br)cn1 ZINC000281318339 1095526459 /nfs/dbraw/zinc/52/64/59/1095526459.db2.gz ZQKMRTDGSMXQHW-RYUDHWBXSA-N 1 0 364.243 4.473 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3cccnc3CC2)cc(C(F)(F)F)c1 ZINC000421851056 1095953577 /nfs/dbraw/zinc/95/35/77/1095953577.db2.gz FQJNEMCESBSPRD-HNNXBMFYSA-N 1 0 365.355 4.046 20 5 FIBDRO Cc1ccc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000183822913 1096219534 /nfs/dbraw/zinc/21/95/34/1096219534.db2.gz OITZTOPNDOEGLG-UHFFFAOYSA-N 1 0 374.238 4.437 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2O ZINC000513791627 1096458512 /nfs/dbraw/zinc/45/85/12/1096458512.db2.gz RTKPQBQQQFSAAK-JVPBZIDWSA-N 1 0 352.434 4.289 20 5 FIBDRO Nc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423354733 1096654330 /nfs/dbraw/zinc/65/43/30/1096654330.db2.gz NZGRPWQXQCKQTN-UXHICEINSA-N 1 0 351.450 4.165 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423450755 1096680344 /nfs/dbraw/zinc/68/03/44/1096680344.db2.gz XMDAWZSJVXRWAS-SUMWQHHRSA-N 1 0 355.438 4.000 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)cccc1[N+](=O)[O-] ZINC000423432208 1096684008 /nfs/dbraw/zinc/68/40/08/1096684008.db2.gz JEOGMNKJGFXPOI-DYVFJYSZSA-N 1 0 355.438 4.438 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)cccc1[N+](=O)[O-] ZINC000423432210 1096684403 /nfs/dbraw/zinc/68/44/03/1096684403.db2.gz JEOGMNKJGFXPOI-GUYCJALGSA-N 1 0 355.438 4.438 20 5 FIBDRO CC[NH+](CC)[C@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000504253386 1096726163 /nfs/dbraw/zinc/72/61/63/1096726163.db2.gz MIQHUVUEOHKHPV-KRWDZBQOSA-N 1 0 352.394 4.076 20 5 FIBDRO CC(C)[NH+]1CCN(c2cccc(N[C@H](C)c3ccccc3[N+](=O)[O-])c2)CC1 ZINC000504393455 1096764579 /nfs/dbraw/zinc/76/45/79/1096764579.db2.gz GAHWHAASAZKJIM-QGZVFWFLSA-N 1 0 368.481 4.298 20 5 FIBDRO Cc1cc(NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000515550465 1098692339 /nfs/dbraw/zinc/69/23/39/1098692339.db2.gz SOTYIHOMBTXDSO-CALCHBBNSA-N 1 0 369.465 4.125 20 5 FIBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000533290857 1098940373 /nfs/dbraw/zinc/94/03/73/1098940373.db2.gz SYNAJCITDRVXRZ-SOLBZPMBSA-N 1 0 367.449 4.047 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000533367916 1099000288 /nfs/dbraw/zinc/00/02/88/1099000288.db2.gz AZLFFHJLVBBUMR-NRFANRHFSA-N 1 0 367.449 4.363 20 5 FIBDRO CC[N@H+](CCc1cccs1)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000533397815 1099007592 /nfs/dbraw/zinc/00/75/92/1099007592.db2.gz CGPNEKBTXBYOPE-UHFFFAOYSA-N 1 0 371.462 4.418 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000533521168 1099140376 /nfs/dbraw/zinc/14/03/76/1099140376.db2.gz AILVQOOLTAKGNV-NRFANRHFSA-N 1 0 367.449 4.363 20 5 FIBDRO C[C@H]([NH2+]C(C)(C)CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccccc1 ZINC000516202047 1099264010 /nfs/dbraw/zinc/26/40/10/1099264010.db2.gz JPZLBDNPWBZLTJ-LBPRGKRZSA-N 1 0 371.466 4.141 20 5 FIBDRO C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000516814883 1099824066 /nfs/dbraw/zinc/82/40/66/1099824066.db2.gz JAVIPOMJYVCKRC-RDTXWAMCSA-N 1 0 359.495 4.095 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1)C1CC1 ZINC000508767973 1100044733 /nfs/dbraw/zinc/04/47/33/1100044733.db2.gz DLQHDTIJMHQCNA-UHFFFAOYSA-N 1 0 353.422 4.140 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459508133 1100264001 /nfs/dbraw/zinc/26/40/01/1100264001.db2.gz AVLHLTFYJSDSIR-INIZCTEOSA-N 1 0 352.434 4.220 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC4(C3)CCCOC4)o2)c(Cl)c1 ZINC000459601964 1100336604 /nfs/dbraw/zinc/33/66/04/1100336604.db2.gz CZLRWKATUCHDMX-UHFFFAOYSA-N 1 0 362.813 4.121 20 5 FIBDRO COc1cc(C[NH2+]CCC2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237143848 1100338549 /nfs/dbraw/zinc/33/85/49/1100338549.db2.gz YALWNXUOCFEGPY-UHFFFAOYSA-N 1 0 356.422 4.072 20 5 FIBDRO COCCC1(C)C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000459636649 1100373168 /nfs/dbraw/zinc/37/31/68/1100373168.db2.gz WTOYWFKHKYMPGJ-UHFFFAOYSA-N 1 0 364.829 4.367 20 5 FIBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H](C)c1nc2ccccc2s1 ZINC000536858138 1100374904 /nfs/dbraw/zinc/37/49/04/1100374904.db2.gz NRTYDBLXXWNYJV-UONOGXRCSA-N 1 0 371.462 4.365 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(C3CC3)cc2F)n1 ZINC000425957369 1100493668 /nfs/dbraw/zinc/49/36/68/1100493668.db2.gz BHHUSOOHWSTZRN-ZWKOTPCHSA-N 1 0 358.417 4.081 20 5 FIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc(-c4ccccc4)c3)CC2)n1 ZINC000425988007 1100621936 /nfs/dbraw/zinc/62/19/36/1100621936.db2.gz DGXAHRWCRSOFQS-UHFFFAOYSA-N 1 0 362.433 4.295 20 5 FIBDRO CC(C)(C)[NH+]1CCC(N[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000517749730 1100642520 /nfs/dbraw/zinc/64/25/20/1100642520.db2.gz BJUDHWYLDDOWJK-HNNXBMFYSA-N 1 0 359.392 4.051 20 5 FIBDRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000426018758 1100672402 /nfs/dbraw/zinc/67/24/02/1100672402.db2.gz QFDMCUIPUQVGEM-NEPJUHHUSA-N 1 0 361.364 4.023 20 5 FIBDRO COCC[N@H+](C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000506351944 1100908414 /nfs/dbraw/zinc/90/84/14/1100908414.db2.gz BZZKIPXFTKIOQF-UHFFFAOYSA-N 1 0 350.802 4.119 20 5 FIBDRO COc1cc(C[NH2+]CC2CCCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509590440 1100987407 /nfs/dbraw/zinc/98/74/07/1100987407.db2.gz FHVZISNCQAJCGR-UHFFFAOYSA-N 1 0 370.449 4.462 20 5 FIBDRO COc1cccc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000518266276 1101050767 /nfs/dbraw/zinc/05/07/67/1101050767.db2.gz ULFLIAMVWJATGM-UHFFFAOYSA-N 1 0 352.390 4.196 20 5 FIBDRO CCSc1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000426350529 1101337306 /nfs/dbraw/zinc/33/73/06/1101337306.db2.gz HRLTVHCJYFVFCN-IAGOWNOFSA-N 1 0 360.483 4.177 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)c2ccccc2)c1 ZINC000585765433 1101343410 /nfs/dbraw/zinc/34/34/10/1101343410.db2.gz DYVVDWXSXBXGRX-QFIPXVFZSA-N 1 0 372.428 4.393 20 5 FIBDRO Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000537175372 1101520781 /nfs/dbraw/zinc/52/07/81/1101520781.db2.gz GWSCSRYFSFHXLJ-IAGOWNOFSA-N 1 0 369.465 4.048 20 5 FIBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC000537178611 1101522511 /nfs/dbraw/zinc/52/25/11/1101522511.db2.gz RDJFSCCFLIHQBE-UHFFFAOYSA-N 1 0 356.470 4.185 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000537179226 1101522670 /nfs/dbraw/zinc/52/26/70/1101522670.db2.gz YOBKWIDUTNVIAD-FUHWJXTLSA-N 1 0 372.465 4.117 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000518800199 1101596358 /nfs/dbraw/zinc/59/63/58/1101596358.db2.gz LVDIRMCIXFUWQS-JLHYYAGUSA-N 1 0 365.355 4.244 20 5 FIBDRO COc1ccc([C@@H]2CCC[N@@H+]2C/C=C\c2ccccc2[N+](=O)[O-])cc1OC ZINC000506636067 1101631192 /nfs/dbraw/zinc/63/11/92/1101631192.db2.gz ZSHMXNHGJZHCAE-MTIYJEKLSA-N 1 0 368.433 4.462 20 5 FIBDRO Cc1cc(N2CCC(C[N@@H+](C)C(C)C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000537344208 1101675805 /nfs/dbraw/zinc/67/58/05/1101675805.db2.gz DPSZLVKLEYPDSI-UHFFFAOYSA-N 1 0 356.470 4.008 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000506661685 1101714296 /nfs/dbraw/zinc/71/42/96/1101714296.db2.gz OOPIBXHWQSCLQW-UHFFFAOYSA-N 1 0 356.422 4.079 20 5 FIBDRO CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001142514331 1102112812 /nfs/dbraw/zinc/11/28/12/1102112812.db2.gz LLCUAPSHIKGMET-HZPDHXFCSA-N 1 0 370.453 4.067 20 5 FIBDRO Cc1ccc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000237716962 1102121449 /nfs/dbraw/zinc/12/14/49/1102121449.db2.gz YAXAXWJCXKAILO-UHFFFAOYSA-N 1 0 353.447 4.359 20 5 FIBDRO CN1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000550784077 1102283240 /nfs/dbraw/zinc/28/32/40/1102283240.db2.gz CYMSCOUQMWJFIN-MOPGFXCFSA-N 1 0 373.884 4.216 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2ccc(Cl)s2)cccc1[N+](=O)[O-] ZINC000026250796 1102303253 /nfs/dbraw/zinc/30/32/53/1102303253.db2.gz QJFJARAONIBDHF-UHFFFAOYSA-N 1 0 367.858 4.079 20 5 FIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000550847328 1102543409 /nfs/dbraw/zinc/54/34/09/1102543409.db2.gz LHOSVLKNIQVIRW-QRWLVFNGSA-N 1 0 367.449 4.095 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+][C@@H](c2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC000026266759 1102548219 /nfs/dbraw/zinc/54/82/19/1102548219.db2.gz MXYMSMAHEFYHPM-HXUWFJFHSA-N 1 0 355.438 4.219 20 5 FIBDRO Cc1cccnc1C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000106481261 1102582678 /nfs/dbraw/zinc/58/26/78/1102582678.db2.gz QWPPGSYRJCHIQS-UHFFFAOYSA-N 1 0 362.433 4.356 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCCO2 ZINC000192606883 1102644821 /nfs/dbraw/zinc/64/48/21/1102644821.db2.gz AYEAUJRHQMPRTH-SCLBCKFNSA-N 1 0 354.406 4.094 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@H](C[NH+]4CCCCC4)C3)o2)c1 ZINC000537647944 1102682400 /nfs/dbraw/zinc/68/24/00/1102682400.db2.gz FBZHNOGSONLIGX-QGZVFWFLSA-N 1 0 369.465 4.163 20 5 FIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000551052230 1102866127 /nfs/dbraw/zinc/86/61/27/1102866127.db2.gz XVFOQZLQXKNNIG-LBPRGKRZSA-N 1 0 367.268 4.238 20 5 FIBDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237814467 1102944913 /nfs/dbraw/zinc/94/49/13/1102944913.db2.gz ULLGVSUGSZFTFT-INIZCTEOSA-N 1 0 368.462 4.224 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC(F)F)c2)cc1[N+](=O)[O-] ZINC000089543206 1102979322 /nfs/dbraw/zinc/97/93/22/1102979322.db2.gz QTQRSTOZYSRJJC-ZDUSSCGKSA-N 1 0 350.365 4.398 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CCC2(OC)CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000551244347 1103001270 /nfs/dbraw/zinc/00/12/70/1103001270.db2.gz XNJAALFJGZTENU-IBGZPJMESA-N 1 0 358.438 4.388 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000507009861 1103032961 /nfs/dbraw/zinc/03/29/61/1103032961.db2.gz YWOVQLSADLKRFP-LJQANCHMSA-N 1 0 373.428 4.358 20 5 FIBDRO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1C ZINC000507119982 1103127229 /nfs/dbraw/zinc/12/72/29/1103127229.db2.gz IWMBIKQBNDLETN-UHFFFAOYSA-N 1 0 364.449 4.326 20 5 FIBDRO Cc1ccc(-c2n[nH]cc2C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)o1 ZINC000507151361 1103169181 /nfs/dbraw/zinc/16/91/81/1103169181.db2.gz DVSWOKNXQQCOFL-UHFFFAOYSA-N 1 0 354.410 4.297 20 5 FIBDRO Cn1cc(C[N@H+](C)CCCc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507156226 1103175924 /nfs/dbraw/zinc/17/59/24/1103175924.db2.gz RVNCJZAWJDFHAG-UHFFFAOYSA-N 1 0 364.449 4.060 20 5 FIBDRO Cc1ccc(-c2n[nH]cc2C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000507172000 1103191499 /nfs/dbraw/zinc/19/14/99/1103191499.db2.gz YLRNINDSROGIJN-UHFFFAOYSA-N 1 0 362.433 4.458 20 5 FIBDRO COCC[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000507486364 1103432620 /nfs/dbraw/zinc/43/26/20/1103432620.db2.gz VKUKKQHKFPGDQI-SZMVWBNQSA-N 1 0 358.438 4.266 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551737847 1103581134 /nfs/dbraw/zinc/58/11/34/1103581134.db2.gz CNKPZVMQIDFMRA-CQSZACIVSA-N 1 0 361.392 4.146 20 5 FIBDRO CC[C@H](C)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000507695812 1103625537 /nfs/dbraw/zinc/62/55/37/1103625537.db2.gz XRZDBZZWRWCMJX-HNNXBMFYSA-N 1 0 366.421 4.446 20 5 FIBDRO Cc1ccc(Sc2ccc(C[N@H+]3CC[C@H]([C@H](C)O)C3)cc2[N+](=O)[O-])cc1 ZINC000507700954 1103629199 /nfs/dbraw/zinc/62/91/99/1103629199.db2.gz YBUKAKODIWJIAK-RDJZCZTQSA-N 1 0 372.490 4.257 20 5 FIBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@H]1CCC[C@H]1O ZINC000537709489 1103870588 /nfs/dbraw/zinc/87/05/88/1103870588.db2.gz FVDUEXMXTDHWEM-SJKOYZFVSA-N 1 0 364.829 4.101 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000537840724 1103963630 /nfs/dbraw/zinc/96/36/30/1103963630.db2.gz FLTHZDWHUAEDPV-UHFFFAOYSA-N 1 0 369.465 4.232 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000537842194 1103965421 /nfs/dbraw/zinc/96/54/21/1103965421.db2.gz WUDLRLOHRKJACH-OAHLLOKOSA-N 1 0 366.417 4.216 20 5 FIBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)c(Br)c1 ZINC000052926202 1104165600 /nfs/dbraw/zinc/16/56/00/1104165600.db2.gz LRCILSYHWYCGGZ-JTQLQIEISA-N 1 0 353.191 4.347 20 5 FIBDRO CCC[N@H+](CCc1cccs1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000184512477 1104502953 /nfs/dbraw/zinc/50/29/53/1104502953.db2.gz JFYVZZJRNBLFFC-UHFFFAOYSA-N 1 0 372.450 4.161 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1cccc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000057555210 1104931421 /nfs/dbraw/zinc/93/14/21/1104931421.db2.gz KAOXWIWKBMVVBN-GJZGRUSLSA-N 1 0 363.417 4.426 20 5 FIBDRO COCCCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237181414 1104968217 /nfs/dbraw/zinc/96/82/17/1104968217.db2.gz WHSXFOVXUHJCKX-UHFFFAOYSA-N 1 0 352.818 4.415 20 5 FIBDRO COc1cc(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000520525566 1104975381 /nfs/dbraw/zinc/97/53/81/1104975381.db2.gz QQEGRMZFGAAOPV-YPMHNXCESA-N 1 0 358.385 4.215 20 5 FIBDRO COc1cc(C[NH2+]CC(C)(C)c2cccc(Cl)c2)c([N+](=O)[O-])cc1O ZINC000507923562 1105272959 /nfs/dbraw/zinc/27/29/59/1105272959.db2.gz NJQDRLIDXKRJJM-UHFFFAOYSA-N 1 0 364.829 4.030 20 5 FIBDRO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451102302 1106933304 /nfs/dbraw/zinc/93/33/04/1106933304.db2.gz CLEGPMBBIMJCNY-GJZGRUSLSA-N 1 0 369.465 4.397 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC3(CCC(O)CC3)CC2)c1 ZINC000451158060 1106950273 /nfs/dbraw/zinc/95/02/73/1106950273.db2.gz YURULACGGBJKDX-UHFFFAOYSA-N 1 0 372.387 4.131 20 5 FIBDRO Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000026483400 1107013915 /nfs/dbraw/zinc/01/39/15/1107013915.db2.gz IMZDYVLUCKVQGL-CZUORRHYSA-N 1 0 359.451 4.129 20 5 FIBDRO COc1ccc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000186433739 1107032925 /nfs/dbraw/zinc/03/29/25/1107032925.db2.gz XNRNCOKHTJSDKR-AWEZNQCLSA-N 1 0 354.328 4.039 20 5 FIBDRO CC(C)c1ccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000186435619 1107098285 /nfs/dbraw/zinc/09/82/85/1107098285.db2.gz QEFKAIPPPIDDIV-OAQYLSRUSA-N 1 0 352.434 4.350 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C1CCOCC1 ZINC000530566757 1107149445 /nfs/dbraw/zinc/14/94/45/1107149445.db2.gz LRGJRNQRWUYDOC-GOSISDBHSA-N 1 0 374.437 4.158 20 5 FIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3nc4cc(F)ccc4o3)C2)cc1 ZINC000451551728 1107171110 /nfs/dbraw/zinc/17/11/10/1107171110.db2.gz UWRIKKPQESXTTP-CQSZACIVSA-N 1 0 355.369 4.255 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000451848883 1107340554 /nfs/dbraw/zinc/34/05/54/1107340554.db2.gz GZDDHGUEEYGZJI-IBGZPJMESA-N 1 0 369.421 4.052 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451853064 1107344790 /nfs/dbraw/zinc/34/47/90/1107344790.db2.gz LFTWMNYFVNLGKI-IBGZPJMESA-N 1 0 369.421 4.052 20 5 FIBDRO Cn1cc([C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(C)(C)C)cn1 ZINC000531206526 1107650035 /nfs/dbraw/zinc/65/00/35/1107650035.db2.gz NGBZZOMFZBLZIV-LJQANCHMSA-N 1 0 368.437 4.465 20 5 FIBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000909598205 1107792718 /nfs/dbraw/zinc/79/27/18/1107792718.db2.gz FHGAYAXDAWYGSK-UHFFFAOYSA-N 1 0 361.829 4.179 20 5 FIBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C)C1 ZINC000520204190 1108020834 /nfs/dbraw/zinc/02/08/34/1108020834.db2.gz UCXJLOWSNZYXMP-JKSUJKDBSA-N 1 0 357.454 4.065 20 5 FIBDRO COc1ccc(C[NH2+]Cc2ccc(-c3csc(C)n3)cc2)cc1[N+](=O)[O-] ZINC000520217300 1108056885 /nfs/dbraw/zinc/05/68/85/1108056885.db2.gz QCCQWRQZOYLDPQ-UHFFFAOYSA-N 1 0 369.446 4.325 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000531704585 1108083674 /nfs/dbraw/zinc/08/36/74/1108083674.db2.gz MPHNGSVRAIISKE-CQSZACIVSA-N 1 0 368.412 4.121 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000531702720 1108084090 /nfs/dbraw/zinc/08/40/90/1108084090.db2.gz OUUSFNKCRVEKOM-LNLFQRSKSA-N 1 0 353.466 4.389 20 5 FIBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-c2cccnc2)cc1 ZINC000444690166 1108092479 /nfs/dbraw/zinc/09/24/79/1108092479.db2.gz RDTFRFNAUQCSNW-CQSZACIVSA-N 1 0 373.416 4.384 20 5 FIBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-c2cccnc2)cc1 ZINC000444690165 1108093318 /nfs/dbraw/zinc/09/33/18/1108093318.db2.gz RDTFRFNAUQCSNW-AWEZNQCLSA-N 1 0 373.416 4.384 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000520246988 1108193144 /nfs/dbraw/zinc/19/31/44/1108193144.db2.gz MVYVHCFLLVGMMT-UHFFFAOYSA-N 1 0 356.353 4.163 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nn1C ZINC000453215350 1108286464 /nfs/dbraw/zinc/28/64/64/1108286464.db2.gz CEWFLKLYJNYYFE-GJZGRUSLSA-N 1 0 350.422 4.407 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]4OCC[C@@H]43)s2)cc1 ZINC000531864606 1108290823 /nfs/dbraw/zinc/29/08/23/1108290823.db2.gz QDOJSSKPTXFNTH-KURKYZTESA-N 1 0 358.463 4.371 20 5 FIBDRO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000453244391 1108316805 /nfs/dbraw/zinc/31/68/05/1108316805.db2.gz CZYUABSQVJNBBD-BBRMVZONSA-N 1 0 372.421 4.401 20 5 FIBDRO CSc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000440615126 1108338247 /nfs/dbraw/zinc/33/82/47/1108338247.db2.gz BSJRRIJKLVABRK-UONOGXRCSA-N 1 0 373.478 4.303 20 5 FIBDRO CCOc1cc2c(cc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)O[C@H](C)C2 ZINC000531943857 1108384180 /nfs/dbraw/zinc/38/41/80/1108384180.db2.gz ULULGOBEMTVXGK-HUUCEWRRSA-N 1 0 370.449 4.476 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000453324462 1108416323 /nfs/dbraw/zinc/41/63/23/1108416323.db2.gz VZKDHJBYZNEUNO-DOXZYTNZSA-N 1 0 350.459 4.095 20 5 FIBDRO CCC[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCCOC(C)C)CC1 ZINC000453358991 1108464662 /nfs/dbraw/zinc/46/46/62/1108464662.db2.gz MIBQXAXUSLNCLH-HXUWFJFHSA-N 1 0 364.486 4.342 20 5 FIBDRO CC[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000453383282 1108467522 /nfs/dbraw/zinc/46/75/22/1108467522.db2.gz SJDBAHSLBNOEDD-ZSYWTGECSA-N 1 0 372.469 4.029 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCC[C@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453368003 1108485340 /nfs/dbraw/zinc/48/53/40/1108485340.db2.gz MQSGRDVGAHBPCN-MGPUTAFESA-N 1 0 358.438 4.246 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c(Cl)c1 ZINC000453573763 1108635474 /nfs/dbraw/zinc/63/54/74/1108635474.db2.gz HLXKDGWVBYPLKL-UHFFFAOYSA-N 1 0 372.852 4.312 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)cc1[N+](=O)[O-] ZINC000532346682 1108773948 /nfs/dbraw/zinc/77/39/48/1108773948.db2.gz ZZLCWTAWTHWEAN-SAABIXHNSA-N 1 0 369.465 4.003 20 5 FIBDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000524295055 1108954905 /nfs/dbraw/zinc/95/49/05/1108954905.db2.gz ZENHGFWCKVDYSM-LJQANCHMSA-N 1 0 362.401 4.167 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000445992911 1109073065 /nfs/dbraw/zinc/07/30/65/1109073065.db2.gz REUWDMQEFIZLLX-VDZJLULYSA-N 1 0 367.449 4.156 20 5 FIBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000525127904 1109272585 /nfs/dbraw/zinc/27/25/85/1109272585.db2.gz RXRLHLQKGSRAIW-KRWDZBQOSA-N 1 0 366.421 4.098 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000525145236 1109277414 /nfs/dbraw/zinc/27/74/14/1109277414.db2.gz IJPCCKWJKDKKCW-MRXNPFEDSA-N 1 0 367.449 4.387 20 5 FIBDRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446847994 1109357180 /nfs/dbraw/zinc/35/71/80/1109357180.db2.gz CUCNQTWLIWHPIM-QRWLVFNGSA-N 1 0 350.422 4.071 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@H](C)[C@H](C)CO)cc2[N+](=O)[O-])cc1 ZINC000525406073 1109374090 /nfs/dbraw/zinc/37/40/90/1109374090.db2.gz SMPZNCZRSORXEV-HUUCEWRRSA-N 1 0 360.479 4.161 20 5 FIBDRO COc1ccc(OCC[N@H+](C)Cc2csc3ccccc23)c([N+](=O)[O-])c1 ZINC000441178450 1109410303 /nfs/dbraw/zinc/41/03/03/1109410303.db2.gz SQPZWIGPOHYQHH-UHFFFAOYSA-N 1 0 372.446 4.329 20 5 FIBDRO COc1cc(C[N@@H+]2CCC3(C2)CCCCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000525636259 1109464122 /nfs/dbraw/zinc/46/41/22/1109464122.db2.gz MOSFVEBGXGEJAZ-UHFFFAOYSA-N 1 0 370.396 4.361 20 5 FIBDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]2CCCO[C@@H]21 ZINC000525708752 1109489114 /nfs/dbraw/zinc/48/91/14/1109489114.db2.gz WUNOAEOBYKPKCQ-QRQLOZEOSA-N 1 0 356.422 4.148 20 5 FIBDRO C[C@@H](C1CCCCC1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447399506 1109534079 /nfs/dbraw/zinc/53/40/79/1109534079.db2.gz WOCUOUNHEBEMTD-LBPRGKRZSA-N 1 0 353.850 4.087 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)CCC2 ZINC000447522462 1109560178 /nfs/dbraw/zinc/56/01/78/1109560178.db2.gz YVBBCRWSESUOLZ-RBUKOAKNSA-N 1 0 371.506 4.460 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2csc3ccccc23)n1 ZINC000447545516 1109574517 /nfs/dbraw/zinc/57/45/17/1109574517.db2.gz XJQCSXBZAUHAKV-DLBZAZTESA-N 1 0 370.478 4.322 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](OCC)c2ccccc2)cc1[N+](=O)[O-] ZINC000447570107 1109577560 /nfs/dbraw/zinc/57/75/60/1109577560.db2.gz FMDJNKWYRYNMQJ-YWZLYKJASA-N 1 0 358.438 4.422 20 5 FIBDRO Cc1ccc([C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)N2CCCC2)o1 ZINC000447564228 1109583659 /nfs/dbraw/zinc/58/36/59/1109583659.db2.gz VYHIGAORAWKVTB-PMACEKPBSA-N 1 0 369.465 4.300 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000026231509 1109889353 /nfs/dbraw/zinc/88/93/53/1109889353.db2.gz OJKXSZMGGBWMMI-INIZCTEOSA-N 1 0 359.451 4.130 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000449072491 1109973019 /nfs/dbraw/zinc/97/30/19/1109973019.db2.gz PTVVHUMQNCQYAC-LSDHHAIUSA-N 1 0 367.449 4.225 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000449225412 1110001455 /nfs/dbraw/zinc/00/14/55/1110001455.db2.gz OKQJEFPBTILDKK-CYBMUJFWSA-N 1 0 374.391 4.103 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000449304264 1110022320 /nfs/dbraw/zinc/02/23/20/1110022320.db2.gz ZDHIQUFMTOMBML-NEPJUHHUSA-N 1 0 364.243 4.034 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CC2=CCOCC2)ccc1Oc1ccccc1Cl ZINC000449405085 1110060221 /nfs/dbraw/zinc/06/02/21/1110060221.db2.gz XARZNCJPRONFKI-UHFFFAOYSA-N 1 0 374.824 4.477 20 5 FIBDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000449428957 1110066433 /nfs/dbraw/zinc/06/64/33/1110066433.db2.gz SBQNVTGEUZUEMX-INIZCTEOSA-N 1 0 357.454 4.003 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCOC4(CCC4)C3)cs2)c1 ZINC000449476485 1110084368 /nfs/dbraw/zinc/08/43/68/1110084368.db2.gz NDYNXXHXBIQFHD-CQSZACIVSA-N 1 0 373.478 4.157 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(CF)CCOCC3)s2)cc1 ZINC000449486737 1110089739 /nfs/dbraw/zinc/08/97/39/1110089739.db2.gz VAMRCBKVDWZWSR-UHFFFAOYSA-N 1 0 364.442 4.179 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNCc2cnc(C3CC3)o2)s1 ZINC000449700223 1110149026 /nfs/dbraw/zinc/14/90/26/1110149026.db2.gz SMHLETQIBONWSI-UHFFFAOYSA-N 1 0 355.419 4.479 20 5 FIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000026368179 1110244599 /nfs/dbraw/zinc/24/45/99/1110244599.db2.gz CKVJLECXFNPPEY-CHWSQXEVSA-N 1 0 361.829 4.234 20 5 FIBDRO Cn1cc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538399556 1111116102 /nfs/dbraw/zinc/11/61/02/1111116102.db2.gz NUFRIWBBMVZQLG-UWWQBHOKSA-N 1 0 354.454 4.054 20 5 FIBDRO Cc1cc(NC[C@H](c2ccsc2)[NH+](C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000538448151 1111145496 /nfs/dbraw/zinc/14/54/96/1111145496.db2.gz KURRLKANXIGLKP-QGZVFWFLSA-N 1 0 356.451 4.228 20 5 FIBDRO COc1ccc(C[N@@H+]2CCC23CCC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538738498 1111271487 /nfs/dbraw/zinc/27/14/87/1111271487.db2.gz YYXMVZPAXOUEAS-UHFFFAOYSA-N 1 0 368.433 4.311 20 5 FIBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000538738176 1111271919 /nfs/dbraw/zinc/27/19/19/1111271919.db2.gz DRFGHHJCASADIF-YJBOKZPZSA-N 1 0 357.454 4.159 20 5 FIBDRO Cc1cc(NC2CC[NH+](CC3CC3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461776014 1111350737 /nfs/dbraw/zinc/35/07/37/1111350737.db2.gz APNFPAZSFHISTD-UHFFFAOYSA-N 1 0 357.376 4.208 20 5 FIBDRO CSc1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000539038480 1111393547 /nfs/dbraw/zinc/39/35/47/1111393547.db2.gz YWKBEPHYLDAVCJ-DOTOQJQBSA-N 1 0 357.479 4.213 20 5 FIBDRO C[C@H]([NH2+]CCOc1ncc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000539060893 1111406527 /nfs/dbraw/zinc/40/65/27/1111406527.db2.gz JVFCWKIXLAVPAX-JTQLQIEISA-N 1 0 356.209 4.026 20 5 FIBDRO COc1cc(NCc2ccc(C[NH+]3CCC(C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000462082689 1111484671 /nfs/dbraw/zinc/48/46/71/1111484671.db2.gz CSHIOSSTHCKNKJ-UHFFFAOYSA-N 1 0 369.465 4.447 20 5 FIBDRO CCSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000539303840 1111513147 /nfs/dbraw/zinc/51/31/47/1111513147.db2.gz OKAVDRDEXZHSEG-CQSZACIVSA-N 1 0 373.478 4.305 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000477930119 1111605172 /nfs/dbraw/zinc/60/51/72/1111605172.db2.gz MZYZFEHDVZHONI-RRMPHLOHSA-N 1 0 370.449 4.422 20 5 FIBDRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000478433943 1111775965 /nfs/dbraw/zinc/77/59/65/1111775965.db2.gz WVIHHYFWKZMRIK-LBPRGKRZSA-N 1 0 368.359 4.036 20 5 FIBDRO Cc1cccc(C(C)(C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000553006792 1111879637 /nfs/dbraw/zinc/87/96/37/1111879637.db2.gz TZVJNRQQLWRRFI-UHFFFAOYSA-N 1 0 355.438 4.065 20 5 FIBDRO CC(=O)c1cc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000553076522 1111903015 /nfs/dbraw/zinc/90/30/15/1111903015.db2.gz PQBWISONBPABDB-KUHUBIRLSA-N 1 0 373.478 4.354 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCCc3ccc(F)cc32)n1 ZINC000479475530 1112037402 /nfs/dbraw/zinc/03/74/02/1112037402.db2.gz NCJXTEBRFZRFLU-OKZBNKHCSA-N 1 0 358.417 4.081 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)n1 ZINC000479523320 1112052559 /nfs/dbraw/zinc/05/25/59/1112052559.db2.gz DQSIDPBRTOLZIZ-WZGPROSRSA-N 1 0 372.444 4.340 20 5 FIBDRO CCC(=O)c1ccc(NC2CC[NH+](CC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000479953132 1112212753 /nfs/dbraw/zinc/21/27/53/1112212753.db2.gz GUQZEPISSHSCCJ-UHFFFAOYSA-N 1 0 359.470 4.254 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000480096756 1112284733 /nfs/dbraw/zinc/28/47/33/1112284733.db2.gz RUWLJQYCTVWICA-LPHOPBHVSA-N 1 0 357.454 4.374 20 5 FIBDRO Cc1ccc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c([N+](=O)[O-])c1 ZINC000480561150 1112479554 /nfs/dbraw/zinc/47/95/54/1112479554.db2.gz HERUSLTVALNVSN-UHFFFAOYSA-N 1 0 357.376 4.120 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000554808884 1112505641 /nfs/dbraw/zinc/50/56/41/1112505641.db2.gz YWCJPISUEPLNLB-UHFFFAOYSA-N 1 0 364.405 4.216 20 5 FIBDRO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000481304149 1112877352 /nfs/dbraw/zinc/87/73/52/1112877352.db2.gz DAFXQVZQUYZJQA-CXAGYDPISA-N 1 0 359.495 4.314 20 5 FIBDRO CC(C)(C)c1csc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000482555182 1113294499 /nfs/dbraw/zinc/29/44/99/1113294499.db2.gz HGFUSAFTMIBXIC-OAHLLOKOSA-N 1 0 359.495 4.460 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC2CC[NH+](CC3CC3)CC2)s1 ZINC000171050235 1113304292 /nfs/dbraw/zinc/30/42/92/1113304292.db2.gz VDTGCOWUNDAPIH-UHFFFAOYSA-N 1 0 371.506 4.287 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3nccs3)o2)c(Cl)c1 ZINC000171052051 1113306831 /nfs/dbraw/zinc/30/68/31/1113306831.db2.gz PUDIMTCVVQNYCU-UHFFFAOYSA-N 1 0 363.826 4.297 20 5 FIBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000027140862 1113517664 /nfs/dbraw/zinc/51/76/64/1113517664.db2.gz DPNGJTUQTSAHFE-UHFFFAOYSA-N 1 0 373.840 4.486 20 5 FIBDRO C[C@H](c1ccc2ccccc2c1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488729064 1113982495 /nfs/dbraw/zinc/98/24/95/1113982495.db2.gz CSQYXFXAKHUHMQ-OAHLLOKOSA-N 1 0 350.422 4.343 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000489005480 1114034215 /nfs/dbraw/zinc/03/42/15/1114034215.db2.gz QEOZCDAWNYDGBM-HOCLYGCPSA-N 1 0 359.401 4.042 20 5 FIBDRO COc1cc(CN(C)[C@@H](C)c2nc3ccccc3s2)ccc1[N+](=O)[O-] ZINC000489982165 1114202043 /nfs/dbraw/zinc/20/20/43/1114202043.db2.gz XNRPVOMJABLQMF-LBPRGKRZSA-N 1 0 357.435 4.406 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c(F)c1 ZINC000490400977 1114287553 /nfs/dbraw/zinc/28/75/53/1114287553.db2.gz NMMRPCKGGXBPRF-ZDUSSCGKSA-N 1 0 373.359 4.394 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@@H](CO)CC2)ccc1Oc1ccc(F)cc1 ZINC000151399546 1114360063 /nfs/dbraw/zinc/36/00/63/1114360063.db2.gz GUCPTXBOPNFPSQ-CZIWCDLHSA-N 1 0 374.412 4.167 20 5 FIBDRO COCCCOc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000586794678 1114395094 /nfs/dbraw/zinc/39/50/94/1114395094.db2.gz REBSZVWOJRDMBX-MRXNPFEDSA-N 1 0 358.438 4.169 20 5 FIBDRO Cc1ccc(C[NH2+]C[C@@H](c2ccc(OC(C)C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000572200115 1114621594 /nfs/dbraw/zinc/62/15/94/1114621594.db2.gz JVAQHVQWFLELFT-NRFANRHFSA-N 1 0 371.481 4.083 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000156886396 1114631301 /nfs/dbraw/zinc/63/13/01/1114631301.db2.gz OFLDOOVFQHSBDG-HUUCEWRRSA-N 1 0 353.422 4.133 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1Cl ZINC000056197412 1114658259 /nfs/dbraw/zinc/65/82/59/1114658259.db2.gz GQFYMTPSCQKMET-QWRGUYRKSA-N 1 0 365.792 4.065 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCCOc4ccc(F)cc43)c2c1 ZINC000588959484 1114681359 /nfs/dbraw/zinc/68/13/59/1114681359.db2.gz CVTSTXWTIVJNCU-GOSISDBHSA-N 1 0 369.396 4.261 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000165876101 1114904943 /nfs/dbraw/zinc/90/49/43/1114904943.db2.gz ATSVOTMGHLVWON-MRXNPFEDSA-N 1 0 363.417 4.420 20 5 FIBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000590615059 1114953525 /nfs/dbraw/zinc/95/35/25/1114953525.db2.gz OXPKSQNQPRIOAV-SFHVURJKSA-N 1 0 361.829 4.174 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592178340 1115217184 /nfs/dbraw/zinc/21/71/84/1115217184.db2.gz YHVHFLMRZWHRGA-LJQANCHMSA-N 1 0 372.852 4.408 20 5 FIBDRO C[C@@H]1CC2(C[N@@H+]1Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CCOCC2 ZINC000592527813 1115241032 /nfs/dbraw/zinc/24/10/32/1115241032.db2.gz QUOHTNCTKHLIIR-OAHLLOKOSA-N 1 0 356.422 4.246 20 5 FIBDRO [NH3+]Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 ZINC000592284950 1115259949 /nfs/dbraw/zinc/25/99/49/1115259949.db2.gz KGKHEKNDOGBMTF-UHFFFAOYSA-N 1 0 371.462 4.341 20 5 FIBDRO C[C@@H]1CC2(C[N@@H+]1Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)CCOCC2 ZINC000592525646 1115341386 /nfs/dbraw/zinc/34/13/86/1115341386.db2.gz CIMYIOVHUSVAJM-CQSZACIVSA-N 1 0 373.478 4.109 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000574583279 1115418497 /nfs/dbraw/zinc/41/84/97/1115418497.db2.gz GXENMMXXUCAUGS-GOSISDBHSA-N 1 0 353.422 4.088 20 5 FIBDRO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594495259 1115450236 /nfs/dbraw/zinc/45/02/36/1115450236.db2.gz OYXWTOJGGUANBT-HNNXBMFYSA-N 1 0 350.422 4.248 20 5 FIBDRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000594502510 1115451351 /nfs/dbraw/zinc/45/13/51/1115451351.db2.gz JQBCDLJQOBYYDC-LJQANCHMSA-N 1 0 362.433 4.174 20 5 FIBDRO CCc1ccc([C@@H]([NH2+][C@H](C)Cc2ccccn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000594513636 1115457829 /nfs/dbraw/zinc/45/78/29/1115457829.db2.gz DXJASLCRXJCZII-VFNWGFHPSA-N 1 0 365.433 4.455 20 5 FIBDRO Cc1ncn(CCCCc2noc(-c3cc([N+](=O)[O-])c(C)cc3C)n2)c1C ZINC000594534725 1115461845 /nfs/dbraw/zinc/46/18/45/1115461845.db2.gz OJCFLMUDEFPCBP-UHFFFAOYSA-N 1 0 369.425 4.098 20 5 FIBDRO CC[C@H](COCC1CC1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594957986 1115502638 /nfs/dbraw/zinc/50/26/38/1115502638.db2.gz XKWLMYMYKKSSFH-OAHLLOKOSA-N 1 0 361.467 4.013 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000595010683 1115503476 /nfs/dbraw/zinc/50/34/76/1115503476.db2.gz DGPCVOZTOCVKRQ-HUUCEWRRSA-N 1 0 366.421 4.201 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000595010681 1115503520 /nfs/dbraw/zinc/50/35/20/1115503520.db2.gz DGPCVOZTOCVKRQ-GJZGRUSLSA-N 1 0 366.421 4.201 20 5 FIBDRO CC1(C)[C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1(F)F ZINC000594991216 1115506128 /nfs/dbraw/zinc/50/61/28/1115506128.db2.gz GGPCEJRJGNWAMC-CYBMUJFWSA-N 1 0 353.394 4.099 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000595009017 1115507967 /nfs/dbraw/zinc/50/79/67/1115507967.db2.gz ARYGJNPAXUYHLE-CABCVRRESA-N 1 0 366.421 4.201 20 5 FIBDRO CCc1ccc([C@H]([NH2+]C[C@H]2CCOC2(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595108511 1115516695 /nfs/dbraw/zinc/51/66/95/1115516695.db2.gz QZOAREIRZYRHTQ-DNVCBOLYSA-N 1 0 358.438 4.244 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(COC)cs2)cc1[N+](=O)[O-] ZINC000595077857 1115516910 /nfs/dbraw/zinc/51/69/10/1115516910.db2.gz QQYMPIMIMBWBHF-LBPRGKRZSA-N 1 0 350.440 4.052 20 5 FIBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000595298052 1115521949 /nfs/dbraw/zinc/52/19/49/1115521949.db2.gz NTSLCQPKSSNVJN-PXNSSMCTSA-N 1 0 358.413 4.334 20 5 FIBDRO Cc1noc(C[NH2+][C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000595433468 1115535914 /nfs/dbraw/zinc/53/59/14/1115535914.db2.gz WWUUFVJANORAQW-ZJUUUORDSA-N 1 0 357.332 4.192 20 5 FIBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000595524462 1115540295 /nfs/dbraw/zinc/54/02/95/1115540295.db2.gz UTAOSQWAJHAAAN-IBGZPJMESA-N 1 0 358.413 4.118 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC4(CCCC4)CC3)o2)cc1 ZINC000595641348 1115554379 /nfs/dbraw/zinc/55/43/79/1115554379.db2.gz JLUXLDYPZXJFSN-UHFFFAOYSA-N 1 0 356.426 4.191 20 5 FIBDRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000595686351 1115556661 /nfs/dbraw/zinc/55/66/61/1115556661.db2.gz XHHTUQGYRVVNNC-SCLBCKFNSA-N 1 0 359.401 4.048 20 5 FIBDRO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000595867571 1115566718 /nfs/dbraw/zinc/56/67/18/1115566718.db2.gz OVANWPOWALWPDI-LLVKDONJSA-N 1 0 371.359 4.363 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnccc1C(F)(F)F ZINC000596117496 1115574986 /nfs/dbraw/zinc/57/49/86/1115574986.db2.gz HWBXIENVSWSLEG-LBPRGKRZSA-N 1 0 353.344 4.120 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)F)ccc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000596185987 1115576475 /nfs/dbraw/zinc/57/64/75/1115576475.db2.gz RUXZXGYYBMKOGD-UHFFFAOYSA-N 1 0 362.380 4.256 20 5 FIBDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)o1 ZINC000598884735 1115764342 /nfs/dbraw/zinc/76/43/42/1115764342.db2.gz YAXPWIMYAAHABZ-UHFFFAOYSA-N 1 0 371.437 4.013 20 5 FIBDRO Cc1ccc(C[NH2+]CCc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000061108995 1115776950 /nfs/dbraw/zinc/77/69/50/1115776950.db2.gz AXOYAMIRCISUEF-UHFFFAOYSA-N 1 0 354.328 4.134 20 5 FIBDRO C[N@@H+]1CCCC[C@H](CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000599070734 1115787152 /nfs/dbraw/zinc/78/71/52/1115787152.db2.gz OGHJDWFKUBQJPS-UTKZUKDTSA-N 1 0 353.466 4.006 20 5 FIBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cc(OC)c(OC)c(OC)c1 ZINC000593704198 1115800555 /nfs/dbraw/zinc/80/05/55/1115800555.db2.gz ASQYXFHIEKCGMP-CXAGYDPISA-N 1 0 374.437 4.423 20 5 FIBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cc(OC)c(OC)c(OC)c1 ZINC000593726107 1115806089 /nfs/dbraw/zinc/80/60/89/1115806089.db2.gz MDCRFRZESJGBOG-MRXNPFEDSA-N 1 0 374.437 4.170 20 5 FIBDRO C[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]2CCCC[C@@H]12 ZINC000603846948 1115821047 /nfs/dbraw/zinc/82/10/47/1115821047.db2.gz IEGGASJHZOSEGZ-XOKHGSTOSA-N 1 0 356.426 4.045 20 5 FIBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2cccnc2[N+](=O)[O-])C1 ZINC000603862332 1115822863 /nfs/dbraw/zinc/82/28/63/1115822863.db2.gz PJRXPSCRBWGQPF-HOTGVXAUSA-N 1 0 354.454 4.080 20 5 FIBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2s1 ZINC000604012654 1115840875 /nfs/dbraw/zinc/84/08/75/1115840875.db2.gz YZYBNUNDVVABKR-UHFFFAOYSA-N 1 0 357.435 4.105 20 5 FIBDRO CC(C)(C)c1ccc(Oc2ccc(C[NH2+]CCCO)cc2[N+](=O)[O-])cc1 ZINC000604476538 1115866421 /nfs/dbraw/zinc/86/64/21/1115866421.db2.gz OONNCMQXGYZOKL-UHFFFAOYSA-N 1 0 358.438 4.157 20 5 FIBDRO C[C@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000173438829 1116067261 /nfs/dbraw/zinc/06/72/61/1116067261.db2.gz LFUJRUWNTCLFDZ-BONVTDFDSA-N 1 0 355.221 4.286 20 5 FIBDRO CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000608788720 1116130108 /nfs/dbraw/zinc/13/01/08/1116130108.db2.gz QSCZSXQUDNSWHA-DYESRHJHSA-N 1 0 353.466 4.252 20 5 FIBDRO C[C@@H](CN1CCCCC1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000608836330 1116131148 /nfs/dbraw/zinc/13/11/48/1116131148.db2.gz JUKKTSBAYFUSLD-HNNXBMFYSA-N 1 0 359.495 4.287 20 5 FIBDRO C[C@@H]1CCCN(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000608836262 1116131202 /nfs/dbraw/zinc/13/12/02/1116131202.db2.gz WWRLLYGMRLVJMJ-OAHLLOKOSA-N 1 0 359.495 4.145 20 5 FIBDRO Cc1ccc(C[NH2+]C[C@@H]2CCN(c3cc(Cl)ccc3C)C2)cc1[N+](=O)[O-] ZINC000608837940 1116131463 /nfs/dbraw/zinc/13/14/63/1116131463.db2.gz ZZATZEASVQYOSH-KRWDZBQOSA-N 1 0 373.884 4.481 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)c2c(c1)COCO2 ZINC000608909325 1116134847 /nfs/dbraw/zinc/13/48/47/1116134847.db2.gz NHVMLYXGGCQSBF-LJQANCHMSA-N 1 0 368.433 4.059 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)c2c(c1)COCO2 ZINC000608977461 1116139295 /nfs/dbraw/zinc/13/92/95/1116139295.db2.gz LJIHJLWSZVFSSJ-KRWDZBQOSA-N 1 0 368.433 4.231 20 5 FIBDRO C[C@@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000456287242 1116174052 /nfs/dbraw/zinc/17/40/52/1116174052.db2.gz VYPGHSWQDSNPLA-CWTRNNRKSA-N 1 0 371.412 4.025 20 5 FIBDRO CC(C)c1ccc(C[NH2+]Cc2ccccc2-c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000535341433 1116296930 /nfs/dbraw/zinc/29/69/30/1116296930.db2.gz SLUKVXCPOPYENF-UHFFFAOYSA-N 1 0 364.449 4.409 20 5 FIBDRO CCS[C@H]1CCCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000539830412 1116387813 /nfs/dbraw/zinc/38/78/13/1116387813.db2.gz UFULUITYBYQPHU-SFHVURJKSA-N 1 0 374.510 4.103 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1nsc2ccccc12 ZINC000595094519 1117741316 /nfs/dbraw/zinc/74/13/16/1117741316.db2.gz LDEMZODMEXLJAM-GFCCVEGCSA-N 1 0 357.435 4.106 20 5 FIBDRO C[C@@H](CO)[NH2+]Cc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000462734212 1117741368 /nfs/dbraw/zinc/74/13/68/1117741368.db2.gz IPXQUAFLCCWNAV-AWEZNQCLSA-N 1 0 358.438 4.155 20 5 FIBDRO Cc1cccc(-c2n[nH]cc2C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000462768251 1117766432 /nfs/dbraw/zinc/76/64/32/1117766432.db2.gz OVPVNTMNTLQRNX-UHFFFAOYSA-N 1 0 364.449 4.406 20 5 FIBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000462786830 1117771178 /nfs/dbraw/zinc/77/11/78/1117771178.db2.gz CKDGUKIPQHRYBM-ZIAGYGMSSA-N 1 0 371.428 4.366 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)cc1 ZINC000462942911 1117871720 /nfs/dbraw/zinc/87/17/20/1117871720.db2.gz COVYSQPBAHXFDH-UHFFFAOYSA-N 1 0 367.380 4.330 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000540152935 1117906689 /nfs/dbraw/zinc/90/66/89/1117906689.db2.gz XDJRHRZNPYVDOZ-YVEFUNNKSA-N 1 0 368.355 4.306 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1c[nH]c2ncccc12 ZINC000540152938 1117906729 /nfs/dbraw/zinc/90/67/29/1117906729.db2.gz XEFFKSNPVVMKGD-HNNXBMFYSA-N 1 0 370.478 4.174 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] ZINC000540157093 1117909382 /nfs/dbraw/zinc/90/93/82/1117909382.db2.gz AMIXQQDOHDAOCH-GFCCVEGCSA-N 1 0 369.343 4.047 20 5 FIBDRO Cc1cnc(NCC2CC[NH+](Cc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000463060781 1117947535 /nfs/dbraw/zinc/94/75/35/1117947535.db2.gz LMKNUGLFJKQMHF-UHFFFAOYSA-N 1 0 374.872 4.276 20 5 FIBDRO C[C@@H](c1ccsc1)[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000463063465 1117948070 /nfs/dbraw/zinc/94/80/70/1117948070.db2.gz VBGQRCRSNKVNTC-NBUZRDOWSA-N 1 0 357.479 4.048 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000540388492 1118023726 /nfs/dbraw/zinc/02/37/26/1118023726.db2.gz QOMXAZNKPWYYBU-LAUBAEHRSA-N 1 0 370.449 4.249 20 5 FIBDRO Cc1cccc(C(C)(C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000540411179 1118038123 /nfs/dbraw/zinc/03/81/23/1118038123.db2.gz MKYNGJNSYFBPCT-UHFFFAOYSA-N 1 0 361.829 4.020 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)c2ccc(Br)s2)ccc1[N+](=O)[O-] ZINC000443340626 1118074043 /nfs/dbraw/zinc/07/40/43/1118074043.db2.gz JWAQBWMDCUJOMO-SECBINFHSA-N 1 0 371.256 4.278 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] ZINC000152939466 1118137697 /nfs/dbraw/zinc/13/76/97/1118137697.db2.gz ZUPOKURQPAGEEJ-OAHLLOKOSA-N 1 0 366.421 4.030 20 5 FIBDRO C[C@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC[N@@H+]1C ZINC000540610971 1118150561 /nfs/dbraw/zinc/15/05/61/1118150561.db2.gz YVKWQWNKCHLRIJ-STQMWFEESA-N 1 0 363.845 4.081 20 5 FIBDRO O=C(C[NH2+][C@H]1CCCCC12CCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000463427169 1118151341 /nfs/dbraw/zinc/15/13/41/1118151341.db2.gz ANUJKAVDWGNSEN-INIZCTEOSA-N 1 0 365.861 4.279 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H]3CCCCC34CCCC4)n2)c1 ZINC000463452977 1118161945 /nfs/dbraw/zinc/16/19/45/1118161945.db2.gz SUDXBTFEAIJVGE-MRXNPFEDSA-N 1 0 356.426 4.237 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCCOCC2)cc1[N+](=O)[O-] ZINC000540687964 1118187875 /nfs/dbraw/zinc/18/78/75/1118187875.db2.gz MUQLZMSQZNGSNO-QGZVFWFLSA-N 1 0 355.438 4.021 20 5 FIBDRO CCc1ccc([C@@H]([NH2+][C@H](C)Cc2cc(C)n[nH]2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541564646 1118556638 /nfs/dbraw/zinc/55/66/38/1118556638.db2.gz AONUZFYZJMJYFV-XCLFUZPHSA-N 1 0 368.437 4.092 20 5 FIBDRO CC(C)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000541625688 1118587452 /nfs/dbraw/zinc/58/74/52/1118587452.db2.gz IIKYCCKIBLURML-XJKSGUPXSA-N 1 0 361.467 4.360 20 5 FIBDRO COc1cc(CN(C)Cc2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1F ZINC000464694433 1118658248 /nfs/dbraw/zinc/65/82/48/1118658248.db2.gz VTEYTYMDQWGOCW-UHFFFAOYSA-N 1 0 356.756 4.167 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCc3ccccc3Cl)CC2)cc1 ZINC000464777437 1118690815 /nfs/dbraw/zinc/69/08/15/1118690815.db2.gz PCKGUDUKVGQYQJ-UHFFFAOYSA-N 1 0 360.841 4.334 20 5 FIBDRO C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464783563 1118693659 /nfs/dbraw/zinc/69/36/59/1118693659.db2.gz MGQNPPYUWMBDDI-OXQOHEQNSA-N 1 0 362.470 4.033 20 5 FIBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C)C[C@H]2c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000464841786 1118718076 /nfs/dbraw/zinc/71/80/76/1118718076.db2.gz XZHYATMQYGIAAY-PBHICJAKSA-N 1 0 374.437 4.357 20 5 FIBDRO CCCCOC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000464863177 1118728252 /nfs/dbraw/zinc/72/82/52/1118728252.db2.gz ZXRLFYJDYUJMMH-UHFFFAOYSA-N 1 0 373.453 4.073 20 5 FIBDRO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000609144643 1118772308 /nfs/dbraw/zinc/77/23/08/1118772308.db2.gz TZUAOUWLAFZFKU-OXQOHEQNSA-N 1 0 358.413 4.334 20 5 FIBDRO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000609144642 1118772424 /nfs/dbraw/zinc/77/24/24/1118772424.db2.gz TZUAOUWLAFZFKU-OXJNMPFZSA-N 1 0 358.413 4.334 20 5 FIBDRO Cc1cc(Br)cc2c1[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CC2 ZINC000491822636 1118983899 /nfs/dbraw/zinc/98/38/99/1118983899.db2.gz WYKNPJNDJIEYET-HNNXBMFYSA-N 1 0 361.239 4.443 20 5 FIBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC000492466950 1119099278 /nfs/dbraw/zinc/09/92/78/1119099278.db2.gz ZWMDOQNRVPUMAC-GOSISDBHSA-N 1 0 356.422 4.339 20 5 FIBDRO CCOc1cc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492538829 1119126383 /nfs/dbraw/zinc/12/63/83/1119126383.db2.gz QRBNLEDQKRTHNP-SFHVURJKSA-N 1 0 355.438 4.070 20 5 FIBDRO CCOc1cc(C[NH2+][C@H](CC)c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000492609355 1119139759 /nfs/dbraw/zinc/13/97/59/1119139759.db2.gz STMZXCRMKUACDX-MRXNPFEDSA-N 1 0 372.421 4.006 20 5 FIBDRO CCOc1cc(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)ccc1[N+](=O)[O-] ZINC000492722159 1119176136 /nfs/dbraw/zinc/17/61/36/1119176136.db2.gz MLUXZJMQRQWBPG-AWEZNQCLSA-N 1 0 374.437 4.170 20 5 FIBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2c2ccccc2OC)ccc1[N+](=O)[O-] ZINC000492768383 1119183641 /nfs/dbraw/zinc/18/36/41/1119183641.db2.gz ISPLQOVXKRBHJV-KRWDZBQOSA-N 1 0 356.422 4.339 20 5 FIBDRO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000492784366 1119188050 /nfs/dbraw/zinc/18/80/50/1119188050.db2.gz PDHKXCWJOKFNJG-KRWDZBQOSA-N 1 0 358.438 4.489 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000492936158 1119218206 /nfs/dbraw/zinc/21/82/06/1119218206.db2.gz KFYFJOJCWBSNSV-LLVKDONJSA-N 1 0 365.227 4.217 20 5 FIBDRO CC(C)(C)OC(=O)CCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493225608 1119352625 /nfs/dbraw/zinc/35/26/25/1119352625.db2.gz GQNGUJQJZATJME-FQEVSTJZSA-N 1 0 370.449 4.396 20 5 FIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccc(OC)c(OC)c1 ZINC000761505921 1119406420 /nfs/dbraw/zinc/40/64/20/1119406420.db2.gz ILTOULQUHLCQKU-UHFFFAOYSA-N 1 0 364.829 4.288 20 5 FIBDRO CC(C)C[C@@H](CCO)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493246283 1119433655 /nfs/dbraw/zinc/43/36/55/1119433655.db2.gz HJHMLUXGXKPRBO-UTKZUKDTSA-N 1 0 356.466 4.319 20 5 FIBDRO C[NH+](C)Cc1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000031232573 1119433689 /nfs/dbraw/zinc/43/36/89/1119433689.db2.gz DYHSAENPYHSTRB-UHFFFAOYSA-N 1 0 355.419 4.123 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CCc2csc(C)n2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542477346 1119626742 /nfs/dbraw/zinc/62/67/42/1119626742.db2.gz HKHAUPFLPDWTHS-IBGZPJMESA-N 1 0 371.462 4.437 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@@H]3CCOC3)o2)c(Cl)c1 ZINC000542482307 1119841327 /nfs/dbraw/zinc/84/13/27/1119841327.db2.gz JTTNPXJTNFVCSJ-GFCCVEGCSA-N 1 0 350.802 4.024 20 5 FIBDRO Cc1ccc([C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)N2CCCC2)o1 ZINC000542484421 1119881794 /nfs/dbraw/zinc/88/17/94/1119881794.db2.gz ZLLMBMRJIUJATH-KRWDZBQOSA-N 1 0 363.845 4.076 20 5 FIBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C12CCC2 ZINC000494514752 1119884647 /nfs/dbraw/zinc/88/46/47/1119884647.db2.gz XGHRQEYHSWFAGV-GJZGRUSLSA-N 1 0 358.360 4.051 20 5 FIBDRO CC(C)n1ccc(C[C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000494532304 1119896878 /nfs/dbraw/zinc/89/68/78/1119896878.db2.gz YJXUWZOZFJXAMM-LBPRGKRZSA-N 1 0 370.375 4.112 20 5 FIBDRO COc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2C)cc1[N+](=O)[O-] ZINC000190859946 1119951284 /nfs/dbraw/zinc/95/12/84/1119951284.db2.gz BPRIXZISRBGPQT-UHFFFAOYSA-N 1 0 354.328 4.220 20 5 FIBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494715091 1120079600 /nfs/dbraw/zinc/07/96/00/1120079600.db2.gz LSPCFQYPMAZEAD-WOJBJXKFSA-N 1 0 356.466 4.317 20 5 FIBDRO C[C@@H](CCO)C1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000494948627 1120386317 /nfs/dbraw/zinc/38/63/17/1120386317.db2.gz IUOCHZYCDSECIO-UWJYYQICSA-N 1 0 368.477 4.463 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000494942204 1120391478 /nfs/dbraw/zinc/39/14/78/1120391478.db2.gz PYQGQDRKUACZSP-IFXJQAMLSA-N 1 0 374.412 4.000 20 5 FIBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000542555798 1120786417 /nfs/dbraw/zinc/78/64/17/1120786417.db2.gz GFTZQPKRIPKPIJ-MFKMUULPSA-N 1 0 367.858 4.378 20 5 FIBDRO COc1ccc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(F)c1 ZINC000495425909 1120802027 /nfs/dbraw/zinc/80/20/27/1120802027.db2.gz HFKKRKIISAINND-NSHDSACASA-N 1 0 352.793 4.289 20 5 FIBDRO Cc1nc2c(s1)[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000495438696 1120823536 /nfs/dbraw/zinc/82/35/36/1120823536.db2.gz ISWUJTLWCFSMFW-ZDUSSCGKSA-N 1 0 351.859 4.223 20 5 FIBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c2ccncc21 ZINC000301062122 1120902728 /nfs/dbraw/zinc/90/27/28/1120902728.db2.gz SNDXXVZDMXDZLY-NRFANRHFSA-N 1 0 362.433 4.392 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1[N+](=O)[O-] ZINC000762614129 1120939555 /nfs/dbraw/zinc/93/95/55/1120939555.db2.gz JMDXUFQIEUZBIQ-DJIMGWMZSA-N 1 0 352.525 4.187 20 5 FIBDRO O=[N+]([O-])c1ccc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)c2ccncc21 ZINC000301088242 1121001468 /nfs/dbraw/zinc/00/14/68/1121001468.db2.gz UNALZQHKUFJIJH-FQEVSTJZSA-N 1 0 362.433 4.392 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000090656826 1121102452 /nfs/dbraw/zinc/10/24/52/1121102452.db2.gz XYKDYLMCYXMZDE-VQIMIIECSA-N 1 0 356.466 4.356 20 5 FIBDRO Cc1c([C@H](C)[NH2+]Cc2ccnc(OC3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000153352755 1121221210 /nfs/dbraw/zinc/22/12/10/1121221210.db2.gz YANWNJVZKLDXGU-HNNXBMFYSA-N 1 0 355.438 4.470 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000497076139 1121821882 /nfs/dbraw/zinc/82/18/82/1121821882.db2.gz DEKVZVSWBONRBT-HWKANZROSA-N 1 0 370.474 4.234 20 5 FIBDRO Cc1ccc(C[NH2+]CCc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000916839002 1121882446 /nfs/dbraw/zinc/88/24/46/1121882446.db2.gz MBBSTJAYULQTHX-UHFFFAOYSA-N 1 0 353.466 4.226 20 5 FIBDRO CC[NH+](CC)CCOc1ccc(NCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000916841008 1121883702 /nfs/dbraw/zinc/88/37/02/1121883702.db2.gz WCOQVYPCMWKWTM-UHFFFAOYSA-N 1 0 357.454 4.236 20 5 FIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000917004885 1121998714 /nfs/dbraw/zinc/99/87/14/1121998714.db2.gz IHOYDEFNQHUHKM-UHFFFAOYSA-N 1 0 372.396 4.407 20 5 FIBDRO CC(=O)c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301597027 1122231075 /nfs/dbraw/zinc/23/10/75/1122231075.db2.gz SQPYLYDHCRMHGV-KXBFYZLASA-N 1 0 367.449 4.120 20 5 FIBDRO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000917436409 1122303642 /nfs/dbraw/zinc/30/36/42/1122303642.db2.gz CHKKEBYDNZVNSQ-OAHLLOKOSA-N 1 0 350.422 4.203 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000154469611 1122389562 /nfs/dbraw/zinc/38/95/62/1122389562.db2.gz OBMZLLXMRUEFNH-HNNXBMFYSA-N 1 0 364.449 4.368 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1c(-c2ccccc2)nc2sccn21 ZINC000917996515 1122518368 /nfs/dbraw/zinc/51/83/68/1122518368.db2.gz ZWGUKNXTHMKHDR-UHFFFAOYSA-N 1 0 364.430 4.261 20 5 FIBDRO COc1ccccc1[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000609280917 1122679987 /nfs/dbraw/zinc/67/99/87/1122679987.db2.gz WNAHQNVHOIIXFU-QGZVFWFLSA-N 1 0 356.422 4.209 20 5 FIBDRO CC(C)[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cn1 ZINC000498625948 1122915116 /nfs/dbraw/zinc/91/51/16/1122915116.db2.gz IBMHFJSLJPJLAD-QGZVFWFLSA-N 1 0 351.809 4.312 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2CCC=C(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000556505411 1122929041 /nfs/dbraw/zinc/92/90/41/1122929041.db2.gz HDWRWMCWTAUNAO-UHFFFAOYSA-N 1 0 365.433 4.021 20 5 FIBDRO COCc1ccccc1/C=C(/C)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000556857140 1123142677 /nfs/dbraw/zinc/14/26/77/1123142677.db2.gz AHZNHHUCYIEMID-VKAVYKQESA-N 1 0 354.450 4.319 20 5 FIBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000609432183 1123712971 /nfs/dbraw/zinc/71/29/71/1123712971.db2.gz QLCURHQTSXURHK-OAHLLOKOSA-N 1 0 358.438 4.065 20 5 FIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000609672573 1123790070 /nfs/dbraw/zinc/79/00/70/1123790070.db2.gz QENWJEGHRXULCY-IBGZPJMESA-N 1 0 358.463 4.154 20 5 FIBDRO Cc1ccc(C)c(OC2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000064632259 1123875951 /nfs/dbraw/zinc/87/59/51/1123875951.db2.gz NRXNKBLRDGLTFQ-UHFFFAOYSA-N 1 0 370.449 4.134 20 5 FIBDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@@H]2CCO[C@H]21 ZINC000610162144 1123952692 /nfs/dbraw/zinc/95/26/92/1123952692.db2.gz AUYNPDHXDDGEHJ-CGTJXYLNSA-N 1 0 358.463 4.226 20 5 FIBDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000615723992 1124108822 /nfs/dbraw/zinc/10/88/22/1124108822.db2.gz HCYFRNSDUBATAZ-CPPNXCSESA-N 1 0 354.406 4.120 20 5 FIBDRO CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765849015 1124193865 /nfs/dbraw/zinc/19/38/65/1124193865.db2.gz NZBANMVCFLMJQW-HRAATJIYSA-N 1 0 372.465 4.404 20 5 FIBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1Cl ZINC000765848986 1124194016 /nfs/dbraw/zinc/19/40/16/1124194016.db2.gz MYLIAONWNOHGHY-MGPLVRAMSA-N 1 0 355.221 4.286 20 5 FIBDRO CCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000462389028 1124203991 /nfs/dbraw/zinc/20/39/91/1124203991.db2.gz RFWLSUPMMJVFAL-UHFFFAOYSA-N 1 0 356.264 4.034 20 5 FIBDRO COc1ccc2oc([C@H](C)[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)c(C)c2c1 ZINC000765850385 1124205093 /nfs/dbraw/zinc/20/50/93/1124205093.db2.gz YAAVJOVBHLMEFV-SCLBCKFNSA-N 1 0 370.405 4.042 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000765879140 1124321562 /nfs/dbraw/zinc/32/15/62/1124321562.db2.gz JGWHVQKPYNQKEL-VFNWGFHPSA-N 1 0 350.418 4.441 20 5 FIBDRO CC[C@@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180422506 1124322253 /nfs/dbraw/zinc/32/22/53/1124322253.db2.gz HHZGQNKRTUUFGV-LJQANCHMSA-N 1 0 350.422 4.236 20 5 FIBDRO Cc1cc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000153818019 1124528494 /nfs/dbraw/zinc/52/84/94/1124528494.db2.gz WSWKRKZSMXPPMO-DLBZAZTESA-N 1 0 374.485 4.022 20 5 FIBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000542929387 1124889509 /nfs/dbraw/zinc/88/95/09/1124889509.db2.gz XXMRHQDFCSIWCI-UAGQMJEPSA-N 1 0 352.862 4.274 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301747238 1125194775 /nfs/dbraw/zinc/19/47/75/1125194775.db2.gz QRNLPMULSQZVRL-CQSZACIVSA-N 1 0 366.893 4.124 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000077421060 1125198132 /nfs/dbraw/zinc/19/81/32/1125198132.db2.gz RTRATGUHENWNFE-CHWSQXEVSA-N 1 0 364.829 4.147 20 5 FIBDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571696 1125211995 /nfs/dbraw/zinc/21/19/95/1125211995.db2.gz MPIMOGADCQUZBI-MSOLQXFVSA-N 1 0 354.406 4.094 20 5 FIBDRO O=[N+]([O-])c1cc(F)c(NC2CC[NH+](Cc3ccc(F)cc3)CC2)c(F)c1 ZINC000301778296 1125263303 /nfs/dbraw/zinc/26/33/03/1125263303.db2.gz ILRAWSVTJBBYHC-UHFFFAOYSA-N 1 0 365.355 4.089 20 5 FIBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccncc21 ZINC000312139500 1125273247 /nfs/dbraw/zinc/27/32/47/1125273247.db2.gz OJXHTIOSRLDBNS-QGZVFWFLSA-N 1 0 362.433 4.220 20 5 FIBDRO O=[N+]([O-])c1c(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc2ncccc21 ZINC000312139540 1125273730 /nfs/dbraw/zinc/27/37/30/1125273730.db2.gz VPKRJIYDHOPPOK-QGZVFWFLSA-N 1 0 362.433 4.220 20 5 FIBDRO CC1CC[NH+](C2CCC(Nc3ncc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000301787672 1125282359 /nfs/dbraw/zinc/28/23/59/1125282359.db2.gz XJBXSLOOEWWYIK-UHFFFAOYSA-N 1 0 352.866 4.098 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1nccn1Cc1ccccc1 ZINC000132196924 1125401364 /nfs/dbraw/zinc/40/13/64/1125401364.db2.gz NPEZHCGHDXEFLM-KRWDZBQOSA-N 1 0 364.449 4.041 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1cccc2ccccc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000098068115 222225285 /nfs/dbraw/zinc/22/52/85/222225285.db2.gz UDGOMVYXQYTWTA-HUUCEWRRSA-N 1 0 363.417 4.426 20 5 FIBDRO CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000517900735 567828795 /nfs/dbraw/zinc/82/87/95/567828795.db2.gz VAOCCPZATYKCRX-PXNSSMCTSA-N 1 0 353.466 4.252 20 5 FIBDRO CC(C)CC1(C)CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000517910832 567909388 /nfs/dbraw/zinc/90/93/88/567909388.db2.gz PEZRFRMAICPDFO-UHFFFAOYSA-N 1 0 358.442 4.293 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481596719 568064326 /nfs/dbraw/zinc/06/43/26/568064326.db2.gz VWBLAXBDOWDDAW-INIZCTEOSA-N 1 0 372.440 4.173 20 5 FIBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1N1CCCC1 ZINC000541997868 568412741 /nfs/dbraw/zinc/41/27/41/568412741.db2.gz OEDUPHUOJHVCNE-UHFFFAOYSA-N 1 0 359.857 4.480 20 5 FIBDRO C[C@H](O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCCCC1 ZINC000570228109 568463787 /nfs/dbraw/zinc/46/37/87/568463787.db2.gz JZZWKYKLLNTIGS-LBPRGKRZSA-N 1 0 360.376 4.129 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182817829 1125637974 /nfs/dbraw/zinc/63/79/74/1125637974.db2.gz CEPJUHIPPGBYCA-DOMZBBRYSA-N 1 0 368.359 4.208 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000619722723 1125668718 /nfs/dbraw/zinc/66/87/18/1125668718.db2.gz VDNJIQDJAWWSSA-SJORKVTESA-N 1 0 368.481 4.377 20 5 FIBDRO Cc1cc([C@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)s1 ZINC000182982237 1125708843 /nfs/dbraw/zinc/70/88/43/1125708843.db2.gz KCQAPJGMJNBHQS-ZDUSSCGKSA-N 1 0 361.467 4.261 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CCCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000153945116 1079750994 /nfs/dbraw/zinc/75/09/94/1079750994.db2.gz JUSGUOAUPUKCTJ-QAPCUYQASA-N 1 0 358.438 4.158 20 5 FIBDRO CSC[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000430200794 1079917201 /nfs/dbraw/zinc/91/72/01/1079917201.db2.gz XLDGQQWGOGVVHB-ZDUSSCGKSA-N 1 0 363.508 4.293 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOc3cccc(F)c3)o2)cc1 ZINC000608836113 1079961007 /nfs/dbraw/zinc/96/10/07/1079961007.db2.gz NJBUGHGTDFRKHT-UHFFFAOYSA-N 1 0 356.353 4.163 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)c([N+](=O)[O-])cc1F ZINC001167069511 1079984583 /nfs/dbraw/zinc/98/45/83/1079984583.db2.gz CARWAXIOTXOCTH-QGZVFWFLSA-N 1 0 358.413 4.340 20 5 FIBDRO COc1ccc(C[C@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cc1 ZINC000610215680 1079984727 /nfs/dbraw/zinc/98/47/27/1079984727.db2.gz UVEOKJLQMROOFV-MRXNPFEDSA-N 1 0 358.413 4.197 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000430218664 1080001539 /nfs/dbraw/zinc/00/15/39/1080001539.db2.gz NHUPBDOFQRUSHP-SGTLLEGYSA-N 1 0 364.829 4.123 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537947515 1080207941 /nfs/dbraw/zinc/20/79/41/1080207941.db2.gz XJXBXZCSTKBHCS-AGRHKRQWSA-N 1 0 359.857 4.344 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CCOCC1 ZINC000134490665 1080247212 /nfs/dbraw/zinc/24/72/12/1080247212.db2.gz LTNRZTPJYDZSPW-LBPRGKRZSA-N 1 0 364.829 4.413 20 5 FIBDRO Cc1cccc(CN(C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 ZINC001167101271 1080449535 /nfs/dbraw/zinc/44/95/35/1080449535.db2.gz ULRRRLVNELHBAW-UHFFFAOYSA-N 1 0 372.812 4.239 20 5 FIBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000609762691 1080472182 /nfs/dbraw/zinc/47/21/82/1080472182.db2.gz PFFUVFQOUGTJEK-LJQANCHMSA-N 1 0 369.421 4.200 20 5 FIBDRO CCOc1cc(NCc2ccccc2C[NH+](CC)CC)ccc1[N+](=O)[O-] ZINC000471260266 1080625751 /nfs/dbraw/zinc/62/57/51/1080625751.db2.gz YJNHTTWZEKKNFQ-UHFFFAOYSA-N 1 0 357.454 4.447 20 5 FIBDRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000467999229 1080688815 /nfs/dbraw/zinc/68/88/15/1080688815.db2.gz YKNCJZUMOMKNNA-ZDUSSCGKSA-N 1 0 350.365 4.398 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001167256542 1080915720 /nfs/dbraw/zinc/91/57/20/1080915720.db2.gz ZHYDIAWHRLPRGV-MOPGFXCFSA-N 1 0 359.514 4.408 20 5 FIBDRO Cc1ccc(C[C@@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001167265196 1080932102 /nfs/dbraw/zinc/93/21/02/1080932102.db2.gz YZORMZRACIXLAE-IBGZPJMESA-N 1 0 354.450 4.237 20 5 FIBDRO Cc1nc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc2ccccc12 ZINC000579919001 1081005353 /nfs/dbraw/zinc/00/53/53/1081005353.db2.gz CPQXCWDQNHTGHR-QGZVFWFLSA-N 1 0 362.433 4.226 20 5 FIBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000177353462 1081211624 /nfs/dbraw/zinc/21/16/24/1081211624.db2.gz NTGISUKTWKTYRZ-CQSZACIVSA-N 1 0 373.478 4.084 20 5 FIBDRO CCC1CCC(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000560529336 1081412644 /nfs/dbraw/zinc/41/26/44/1081412644.db2.gz LKMAYLDPFSSZSP-LADRWXRNSA-N 1 0 356.470 4.224 20 5 FIBDRO Cc1c(NC(=O)CC[N@H+](Cc2cccs2)C(C)C)cccc1[N+](=O)[O-] ZINC000560855878 1081578427 /nfs/dbraw/zinc/57/84/27/1081578427.db2.gz SNLMAFFQTFMNLG-UHFFFAOYSA-N 1 0 361.467 4.204 20 5 FIBDRO C[C@H](CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)[S@](C)=O ZINC000090517902 1081784863 /nfs/dbraw/zinc/78/48/63/1081784863.db2.gz ZKQTUPDREASVAN-RSPPDBIESA-N 1 0 366.508 4.131 20 5 FIBDRO CC[C@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000177779807 1081997639 /nfs/dbraw/zinc/99/76/39/1081997639.db2.gz JOZHUOFLIJLRHM-IRXDYDNUSA-N 1 0 368.355 4.388 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1ccccc1Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000119265784 1082073079 /nfs/dbraw/zinc/07/30/79/1082073079.db2.gz QAFNJDAPUBOYMQ-OAQYLSRUSA-N 1 0 364.449 4.471 20 5 FIBDRO CCCC(=O)Nc1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000581262424 1082413276 /nfs/dbraw/zinc/41/32/76/1082413276.db2.gz XBDLSQQHSPBPEA-SFHVURJKSA-N 1 0 353.422 4.111 20 5 FIBDRO C[C@H](c1ccccc1)[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC001167453966 1082447762 /nfs/dbraw/zinc/44/77/62/1082447762.db2.gz PJLCGCBBOILQMS-IIBYNOLFSA-N 1 0 354.450 4.492 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000134497792 1082609537 /nfs/dbraw/zinc/60/95/37/1082609537.db2.gz CLAXZGSDHZBUBQ-AWEZNQCLSA-N 1 0 374.412 4.431 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1F ZINC000126582220 1082671193 /nfs/dbraw/zinc/67/11/93/1082671193.db2.gz VYLRLTNIDZVGKG-ZIAGYGMSSA-N 1 0 359.401 4.029 20 5 FIBDRO C[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccncc1 ZINC000610517700 1082728929 /nfs/dbraw/zinc/72/89/29/1082728929.db2.gz HPYQZLRSRJTGEG-CYBMUJFWSA-N 1 0 354.435 4.007 20 5 FIBDRO COCCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000610538814 1082908981 /nfs/dbraw/zinc/90/89/81/1082908981.db2.gz YCTOFXVKWQKYGT-CABCVRRESA-N 1 0 374.437 4.040 20 5 FIBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001167487151 1082955993 /nfs/dbraw/zinc/95/59/93/1082955993.db2.gz GKDZKSQJBPEABD-TZIWHRDSSA-N 1 0 356.466 4.280 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510473141 1082966684 /nfs/dbraw/zinc/96/66/84/1082966684.db2.gz PSOOYRPPTNTGGI-MAUKXSAKSA-N 1 0 350.422 4.261 20 5 FIBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000588439120 1083070067 /nfs/dbraw/zinc/07/00/67/1083070067.db2.gz FETAWRZLTBMXTF-QINSGFPZSA-N 1 0 353.422 4.007 20 5 FIBDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000471827001 1083072131 /nfs/dbraw/zinc/07/21/31/1083072131.db2.gz XPDYUVWCPOTHGC-SJLPKXTDSA-N 1 0 355.438 4.020 20 5 FIBDRO O=[N+]([O-])c1cc(F)c(CN[C@H]2CCC[C@@H]2OCc2ccccc2)c(F)c1 ZINC000510632677 1083213683 /nfs/dbraw/zinc/21/36/83/1083213683.db2.gz WPPPTMGZROTUHY-OALUTQOASA-N 1 0 362.376 4.101 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430941358 1083244652 /nfs/dbraw/zinc/24/46/52/1083244652.db2.gz WAXOMFYPGICAMG-PKOBYXMFSA-N 1 0 354.450 4.380 20 5 FIBDRO C[C@H](COc1ccccc1C(F)(F)F)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000520944667 1083321291 /nfs/dbraw/zinc/32/12/91/1083321291.db2.gz FKBCKAFSWCHTLN-GFCCVEGCSA-N 1 0 354.328 4.171 20 5 FIBDRO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000092437677 1083405945 /nfs/dbraw/zinc/40/59/45/1083405945.db2.gz SHHYNFQQXYGMJO-UHFFFAOYSA-N 1 0 356.451 4.079 20 5 FIBDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4ccccc4[N+](=O)[O-])C3)nc2c1 ZINC000535666917 1083501436 /nfs/dbraw/zinc/50/14/36/1083501436.db2.gz VFRLVTXUSVMWDU-MRXNPFEDSA-N 1 0 350.422 4.159 20 5 FIBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])cc1 ZINC000188358073 1083526745 /nfs/dbraw/zinc/52/67/45/1083526745.db2.gz FXJQDXMTGSEJJP-UHFFFAOYSA-N 1 0 373.478 4.411 20 5 FIBDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000510980812 1083556696 /nfs/dbraw/zinc/55/66/96/1083556696.db2.gz QYIQAVGHHNYWDJ-RBUKOAKNSA-N 1 0 356.397 4.397 20 5 FIBDRO CC(C)Oc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000179683578 1083605134 /nfs/dbraw/zinc/60/51/34/1083605134.db2.gz FYXPIRFGZYJKLK-OAHLLOKOSA-N 1 0 371.437 4.061 20 5 FIBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCCC2)c2ncccc12 ZINC000024059649 1083724948 /nfs/dbraw/zinc/72/49/48/1083724948.db2.gz CAIPEIBUYSJWJZ-UHFFFAOYSA-N 1 0 362.433 4.351 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)cccc1[N+](=O)[O-] ZINC000610812607 1083725995 /nfs/dbraw/zinc/72/59/95/1083725995.db2.gz DBGYQAAZVRUSDH-DZGCQCFKSA-N 1 0 361.392 4.111 20 5 FIBDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610824542 1083743266 /nfs/dbraw/zinc/74/32/66/1083743266.db2.gz IXJVLGRKOPKYIC-RBUKOAKNSA-N 1 0 368.433 4.038 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000610821896 1083749137 /nfs/dbraw/zinc/74/91/37/1083749137.db2.gz OIHIBYWYQXAXRP-JXFKEZNVSA-N 1 0 350.422 4.192 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@H](Cn2cccn2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000610821894 1083749237 /nfs/dbraw/zinc/74/92/37/1083749237.db2.gz NWLYZKIQJHYUEO-QFBILLFUSA-N 1 0 350.422 4.192 20 5 FIBDRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000411372182 1083758345 /nfs/dbraw/zinc/75/83/45/1083758345.db2.gz UNOYXZMAVMVJNZ-VQTJNVASSA-N 1 0 367.449 4.179 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(OC)ccc3C2)cc1[N+](=O)[O-] ZINC000612419800 1083786679 /nfs/dbraw/zinc/78/66/79/1083786679.db2.gz UMGMUDNJOOJFIZ-KDOFPFPSSA-N 1 0 370.449 4.210 20 5 FIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1csc(Br)c1 ZINC000548935743 1083858594 /nfs/dbraw/zinc/85/85/94/1083858594.db2.gz VNZGJCIPDHCNEH-UHFFFAOYSA-N 1 0 355.257 4.093 20 5 FIBDRO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000612540002 1083902147 /nfs/dbraw/zinc/90/21/47/1083902147.db2.gz QGBCHCRTJYXEBB-BEFAXECRSA-N 1 0 362.376 4.225 20 5 FIBDRO CC(C)CSCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001167499324 1084022399 /nfs/dbraw/zinc/02/23/99/1084022399.db2.gz GIPKPMCFYYRVEO-UHFFFAOYSA-N 1 0 352.500 4.217 20 5 FIBDRO C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000550000386 1084060504 /nfs/dbraw/zinc/06/05/04/1084060504.db2.gz QHYANIWNYDAONQ-GZMMTYOYSA-N 1 0 356.266 4.386 20 5 FIBDRO Cn1cc(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c2ccc(F)cc21 ZINC000472047864 1084183147 /nfs/dbraw/zinc/18/31/47/1084183147.db2.gz IRLZSISDIBFUDM-XQRVVYSFSA-N 1 0 353.397 4.071 20 5 FIBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCO1 ZINC000538775157 1084196731 /nfs/dbraw/zinc/19/67/31/1084196731.db2.gz OKBNXGLDPKKWGR-CZUORRHYSA-N 1 0 360.385 4.183 20 5 FIBDRO COCCSc1ccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000538206070 1084200165 /nfs/dbraw/zinc/20/01/65/1084200165.db2.gz CLGLTLDZUYVADE-OAHLLOKOSA-N 1 0 360.479 4.227 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2=O)c1 ZINC000156752656 1084229978 /nfs/dbraw/zinc/22/99/78/1084229978.db2.gz DLWJLFYCLRVPFD-LSDHHAIUSA-N 1 0 353.422 4.133 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000613025678 1084275477 /nfs/dbraw/zinc/27/54/77/1084275477.db2.gz KJYCJRXEUPZMBS-HXUWFJFHSA-N 1 0 367.449 4.459 20 5 FIBDRO COc1cc(C)c([C@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000579971526 1084309546 /nfs/dbraw/zinc/30/95/46/1084309546.db2.gz DVAMIOIZSKJNTM-GUYCJALGSA-N 1 0 356.422 4.259 20 5 FIBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1OC(F)F ZINC000539080855 1084310126 /nfs/dbraw/zinc/31/01/26/1084310126.db2.gz ZCWJKGARVFCLJW-LLVKDONJSA-N 1 0 370.327 4.065 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000177779378 1084320731 /nfs/dbraw/zinc/32/07/31/1084320731.db2.gz RJCONUNTVZZUTC-SJKOYZFVSA-N 1 0 368.355 4.306 20 5 FIBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000177779833 1084320904 /nfs/dbraw/zinc/32/09/04/1084320904.db2.gz JOZHUOFLIJLRHM-DLBZAZTESA-N 1 0 368.355 4.388 20 5 FIBDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)c2ccccc21 ZINC000580035397 1084330022 /nfs/dbraw/zinc/33/00/22/1084330022.db2.gz GZYIHKRVUHFLMK-RBUKOAKNSA-N 1 0 368.433 4.175 20 5 FIBDRO Cc1cc(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000071952689 1084374539 /nfs/dbraw/zinc/37/45/39/1084374539.db2.gz MSWUBSLFHVIREQ-CALCHBBNSA-N 1 0 369.465 4.125 20 5 FIBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc(OC)c1OC ZINC000157441841 1084383371 /nfs/dbraw/zinc/38/33/71/1084383371.db2.gz WWSRSCXMBKGBRR-KGLIPLIRSA-N 1 0 374.437 4.341 20 5 FIBDRO CC(C)c1ccc([C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000119752874 1084540040 /nfs/dbraw/zinc/54/00/40/1084540040.db2.gz SWSCXFRIYXPCPM-FQEVSTJZSA-N 1 0 369.465 4.304 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[C@@H](c3ccccc3)O1)CCC2 ZINC000581481657 1084552397 /nfs/dbraw/zinc/55/23/97/1084552397.db2.gz XZJFCQAXLUVVKM-GIVPXCGWSA-N 1 0 352.434 4.482 20 5 FIBDRO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071773 1084591816 /nfs/dbraw/zinc/59/18/16/1084591816.db2.gz HRUMIJPDCNFAGC-OAHLLOKOSA-N 1 0 351.406 4.485 20 5 FIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(Cl)cc2cccnc21 ZINC000511074833 1084631413 /nfs/dbraw/zinc/63/14/13/1084631413.db2.gz PYAFGUASFBRQMU-UHFFFAOYSA-N 1 0 355.825 4.471 20 5 FIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(Br)s1 ZINC000511075526 1084641724 /nfs/dbraw/zinc/64/17/24/1084641724.db2.gz ZOUYOYZYQJIXIL-UHFFFAOYSA-N 1 0 355.257 4.093 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)o1 ZINC000539897038 1084694572 /nfs/dbraw/zinc/69/45/72/1084694572.db2.gz XWYSYPLQAJPZBQ-CVEARBPZSA-N 1 0 356.422 4.103 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@]1(C)CCCc2ccccc21 ZINC000540906532 1084788175 /nfs/dbraw/zinc/78/81/75/1084788175.db2.gz FEWKOGPEJNAHDP-OAQYLSRUSA-N 1 0 367.449 4.073 20 5 FIBDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000290195756 1085024216 /nfs/dbraw/zinc/02/42/16/1085024216.db2.gz SQMNHSBUYYLSDJ-MGPUTAFESA-N 1 0 352.434 4.340 20 5 FIBDRO CC(C)(C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000414331582 1085074668 /nfs/dbraw/zinc/07/46/68/1085074668.db2.gz KIHHXPRMDZEZCV-APWZRJJASA-N 1 0 353.466 4.268 20 5 FIBDRO CCOc1ccc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000480081480 1085413141 /nfs/dbraw/zinc/41/31/41/1085413141.db2.gz FVCHVQNBOLINSE-HNNXBMFYSA-N 1 0 358.438 4.286 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178641561 1085421265 /nfs/dbraw/zinc/42/12/65/1085421265.db2.gz WNHWTXVFXPEUNR-GFCCVEGCSA-N 1 0 354.328 4.387 20 5 FIBDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)ccc2NC1=O ZINC000178661095 1085680786 /nfs/dbraw/zinc/68/07/86/1085680786.db2.gz XMKLDSSLWZFOBA-VEVIJQCQSA-N 1 0 369.421 4.116 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000024673541 1085691502 /nfs/dbraw/zinc/69/15/02/1085691502.db2.gz ZJPMORFAJGUCGU-MRXNPFEDSA-N 1 0 367.449 4.142 20 5 FIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000135754985 1085809503 /nfs/dbraw/zinc/80/95/03/1085809503.db2.gz YPMOSCOYQJHCNJ-UHFFFAOYSA-N 1 0 359.451 4.021 20 5 FIBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000161461270 1085950847 /nfs/dbraw/zinc/95/08/47/1085950847.db2.gz YSAVTCHRDOMYKX-HWPZZCPQSA-N 1 0 355.221 4.286 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001167658706 1086388476 /nfs/dbraw/zinc/38/84/76/1086388476.db2.gz KNOOCNRQBQROTO-MRXNPFEDSA-N 1 0 363.477 4.210 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCc4c3cccc4O)o2)cc1 ZINC000105486584 1086556580 /nfs/dbraw/zinc/55/65/80/1086556580.db2.gz HCRURVHKVXQELI-SFHVURJKSA-N 1 0 350.374 4.338 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000106468188 1086647628 /nfs/dbraw/zinc/64/76/28/1086647628.db2.gz SMRADKOODVSZEQ-NSHDSACASA-N 1 0 354.328 4.473 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc([S@](C)=O)cc1 ZINC000279079918 1086789134 /nfs/dbraw/zinc/78/91/34/1086789134.db2.gz MMBHQYSFKJYZHF-SOXCLGPMSA-N 1 0 372.490 4.405 20 5 FIBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc([S@](C)=O)cc1 ZINC000279079915 1086789289 /nfs/dbraw/zinc/78/92/89/1086789289.db2.gz MMBHQYSFKJYZHF-RHYZYYMOSA-N 1 0 372.490 4.405 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1csc(Br)c1 ZINC000583641176 1086889815 /nfs/dbraw/zinc/88/98/15/1086889815.db2.gz GXEPGFSLLCSWLT-GFCCVEGCSA-N 1 0 353.241 4.196 20 5 FIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000163416441 1086929661 /nfs/dbraw/zinc/92/96/61/1086929661.db2.gz OQNVRFYRXBEAKT-UHFFFAOYSA-N 1 0 373.840 4.405 20 5 FIBDRO COc1ccc([C@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c(C)c1OC ZINC000583715890 1086931301 /nfs/dbraw/zinc/93/13/01/1086931301.db2.gz CNKLVJNWCQBVFC-VIHMKRCTSA-N 1 0 356.422 4.284 20 5 FIBDRO CC(C)(C)C1=CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000536172899 1087066968 /nfs/dbraw/zinc/06/69/68/1087066968.db2.gz MUYAIOOCCIKSHC-UHFFFAOYSA-N 1 0 355.438 4.471 20 5 FIBDRO CN(C)C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000584223782 1087223568 /nfs/dbraw/zinc/22/35/68/1087223568.db2.gz ZHRUXUTYDCRNQP-UXHICEINSA-N 1 0 371.456 4.349 20 5 FIBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000708576790 1087594871 /nfs/dbraw/zinc/59/48/71/1087594871.db2.gz INBGQUZVWCOONE-HOCLYGCPSA-N 1 0 359.857 4.428 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](Cc4ccncc4)C3)o2)cc1 ZINC000611983803 1087673442 /nfs/dbraw/zinc/67/34/42/1087673442.db2.gz LLCYZNKEYVRKDV-QGZVFWFLSA-N 1 0 363.417 4.314 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180421668 1087909070 /nfs/dbraw/zinc/90/90/70/1087909070.db2.gz PDYLLBREKGWBNY-ZDUSSCGKSA-N 1 0 359.382 4.141 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)c1ccccc1 ZINC000504899697 1087970295 /nfs/dbraw/zinc/97/02/95/1087970295.db2.gz KOQKISJKPIKVRL-DLBZAZTESA-N 1 0 360.479 4.179 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000504911570 1087979923 /nfs/dbraw/zinc/97/99/23/1087979923.db2.gz IKPBGFVBKPCBFP-AWEZNQCLSA-N 1 0 351.406 4.393 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1sc(C)nc1C ZINC000504911813 1087980358 /nfs/dbraw/zinc/98/03/58/1087980358.db2.gz LVRHRCPQCKVKMA-AWEZNQCLSA-N 1 0 365.524 4.371 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(NC(C)=O)c1 ZINC000504917501 1087984474 /nfs/dbraw/zinc/98/44/74/1087984474.db2.gz CVXMIHLNZPENKY-MRXNPFEDSA-N 1 0 373.478 4.214 20 5 FIBDRO CC1(C)CC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC(C)(C)[NH2+]1 ZINC000236739111 1088226216 /nfs/dbraw/zinc/22/62/16/1088226216.db2.gz NQVOMHFXNXBGBE-UHFFFAOYSA-N 1 0 357.454 4.254 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](CCO)C3CCCC3)o2)c(Cl)c1 ZINC000505271135 1088309634 /nfs/dbraw/zinc/30/96/34/1088309634.db2.gz FNVLVXIMAINJTJ-UHFFFAOYSA-N 1 0 364.829 4.245 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCC2=O)cc1 ZINC000181355686 1088344564 /nfs/dbraw/zinc/34/45/64/1088344564.db2.gz NJWCAMOJLNNPEU-ZDUSSCGKSA-N 1 0 373.840 4.226 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000311254152 1088443047 /nfs/dbraw/zinc/44/30/47/1088443047.db2.gz LMVNHFUBBYDEKT-BPUTZDHNSA-N 1 0 363.458 4.081 20 5 FIBDRO COCC[C@H](COC)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000580205355 1088522157 /nfs/dbraw/zinc/52/21/57/1088522157.db2.gz CBJIITZZXQJBOZ-UONOGXRCSA-N 1 0 364.467 4.025 20 5 FIBDRO Cc1cccc2nc(C3CC[NH+](Cc4cccc([N+](=O)[O-])c4)CC3)oc21 ZINC000189801011 1088637115 /nfs/dbraw/zinc/63/71/15/1088637115.db2.gz CPDUDOAYFYOAER-UHFFFAOYSA-N 1 0 351.406 4.424 20 5 FIBDRO C[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(F)(F)F ZINC000414534532 1088816086 /nfs/dbraw/zinc/81/60/86/1088816086.db2.gz WRWKNNLCYNDPDI-JTQLQIEISA-N 1 0 359.373 4.396 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000514176490 1088863154 /nfs/dbraw/zinc/86/31/54/1088863154.db2.gz QKGIYNAHVTYELJ-UHFFFAOYSA-N 1 0 357.376 4.068 20 5 FIBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1 ZINC000024926881 1089125810 /nfs/dbraw/zinc/12/58/10/1089125810.db2.gz XBQSLNWYNCOXDO-UHFFFAOYSA-N 1 0 373.478 4.411 20 5 FIBDRO CCOc1cccc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000425245536 1089135435 /nfs/dbraw/zinc/13/54/35/1089135435.db2.gz WQIWTKZSKKLWGQ-OAHLLOKOSA-N 1 0 370.453 4.026 20 5 FIBDRO Cc1ccn(C2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)n1 ZINC000435048638 1089237115 /nfs/dbraw/zinc/23/71/15/1089237115.db2.gz JIHJAIUHWLZPLE-UHFFFAOYSA-N 1 0 366.421 4.197 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCCC4(CCOCC4)C3)cs2)c1 ZINC000271197307 1089997919 /nfs/dbraw/zinc/99/79/19/1089997919.db2.gz RYPCLZUEKCFRMR-UHFFFAOYSA-N 1 0 373.478 4.111 20 5 FIBDRO COc1ccc(CN(Cc2ccco2)Cc2cccs2)cc1[N+](=O)[O-] ZINC000051234855 1090105736 /nfs/dbraw/zinc/10/57/36/1090105736.db2.gz HSWBARMMXKBMTD-UHFFFAOYSA-N 1 0 358.419 4.460 20 5 FIBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc(F)c(F)c1 ZINC000104666352 1090289016 /nfs/dbraw/zinc/28/90/16/1090289016.db2.gz RJORHETVVNDZJY-UHFFFAOYSA-N 1 0 373.359 4.203 20 5 FIBDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc21 ZINC000378404305 1090350579 /nfs/dbraw/zinc/35/05/79/1090350579.db2.gz PFFPFFVVURQDDS-RDTXWAMCSA-N 1 0 353.422 4.052 20 5 FIBDRO CC[C@@H](CCO)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236947608 1090445142 /nfs/dbraw/zinc/44/51/42/1090445142.db2.gz AWYMGQMNEDLLJJ-AWEZNQCLSA-N 1 0 364.829 4.291 20 5 FIBDRO CC(C)(C)[NH+]1CCC(N[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000517749731 1090708766 /nfs/dbraw/zinc/70/87/66/1090708766.db2.gz BJUDHWYLDDOWJK-OAHLLOKOSA-N 1 0 359.392 4.051 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c(OC)c1 ZINC000417307490 1090800213 /nfs/dbraw/zinc/80/02/13/1090800213.db2.gz BSIIIFGBAWLXAU-IBGZPJMESA-N 1 0 356.422 4.169 20 5 FIBDRO Cc1cc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cc(N2CCCC2)n1 ZINC000584522572 1091017026 /nfs/dbraw/zinc/01/70/26/1091017026.db2.gz QEANTQOTHPJVQT-MRXNPFEDSA-N 1 0 368.481 4.009 20 5 FIBDRO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000500098157 1091037864 /nfs/dbraw/zinc/03/78/64/1091037864.db2.gz OOJQGVDENZEYAA-KSSFIOAISA-N 1 0 371.437 4.298 20 5 FIBDRO COC1(C(F)(F)F)CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000418095554 1091057539 /nfs/dbraw/zinc/05/75/39/1091057539.db2.gz GMKASCMKNHMFRT-RAXLEYEMSA-N 1 0 358.360 4.041 20 5 FIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(C2CC2)cc1 ZINC000418115920 1091066328 /nfs/dbraw/zinc/06/63/28/1091066328.db2.gz QEQBMRNZJLLKTR-ZDUSSCGKSA-N 1 0 354.406 4.190 20 5 FIBDRO COCCCC[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000418142953 1091081282 /nfs/dbraw/zinc/08/12/82/1091081282.db2.gz YUWZYOFOJWZYLY-UHFFFAOYSA-N 1 0 362.401 4.385 20 5 FIBDRO Cc1nc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)c(C)o1 ZINC000500241505 1091139172 /nfs/dbraw/zinc/13/91/72/1091139172.db2.gz ISJFQBLITCIESH-UHFFFAOYSA-N 1 0 357.435 4.260 20 5 FIBDRO CC(C)(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)cc1 ZINC000053644319 1091282766 /nfs/dbraw/zinc/28/27/66/1091282766.db2.gz HKOCSBYHXSWQPI-IBGZPJMESA-N 1 0 374.412 4.477 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c1 ZINC000500398142 1091428455 /nfs/dbraw/zinc/42/84/55/1091428455.db2.gz CLDQAFLAUNLJLR-SNVBAGLBSA-N 1 0 350.312 4.111 20 5 FIBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000549512416 1091632063 /nfs/dbraw/zinc/63/20/63/1091632063.db2.gz CPDHQWHRRYWFQW-HZPDHXFCSA-N 1 0 354.454 4.080 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000500510349 1092165650 /nfs/dbraw/zinc/16/56/50/1092165650.db2.gz ZUAPPEOVXJHUOD-UTCJRWHESA-N 1 0 353.397 4.451 20 5 FIBDRO Cc1sc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000500763080 1092535447 /nfs/dbraw/zinc/53/54/47/1092535447.db2.gz UOZMWSLUSDURKO-CYBMUJFWSA-N 1 0 373.478 4.449 20 5 FIBDRO COC(=O)C(C)(C)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000512491921 1092570436 /nfs/dbraw/zinc/57/04/36/1092570436.db2.gz MKULHZSFPRXLMP-UHFFFAOYSA-N 1 0 362.451 4.002 20 5 FIBDRO CCOc1cc(C[NH2+]C(C)(C)COCc2ccccc2)ccc1[N+](=O)[O-] ZINC000500824605 1092606794 /nfs/dbraw/zinc/60/67/94/1092606794.db2.gz XOZBEIBAJFXCGO-UHFFFAOYSA-N 1 0 358.438 4.079 20 5 FIBDRO CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000236933701 1092812042 /nfs/dbraw/zinc/81/20/42/1092812042.db2.gz NABDOKDIZXKVBC-OAHLLOKOSA-N 1 0 359.495 4.145 20 5 FIBDRO C[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[NH+]1CCCCC1 ZINC000521814017 1092924815 /nfs/dbraw/zinc/92/48/15/1092924815.db2.gz PPHNUQTZXVHMJX-INIZCTEOSA-N 1 0 357.454 4.066 20 5 FIBDRO C[NH+](C)[C@@H]1CCOc2c(Nc3ccc([N+](=O)[O-])c4cnccc34)cccc21 ZINC000432940317 1092974869 /nfs/dbraw/zinc/97/48/69/1092974869.db2.gz UQTWOWOGSLZILN-GOSISDBHSA-N 1 0 364.405 4.272 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](OC(F)F)C3)o2)c(Cl)c1 ZINC000522016677 1093035608 /nfs/dbraw/zinc/03/56/08/1093035608.db2.gz NLLVGBVQLGJPHZ-LBPRGKRZSA-N 1 0 372.755 4.322 20 5 FIBDRO Cc1cccc([C@@H]2CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000542318075 1093242398 /nfs/dbraw/zinc/24/23/98/1093242398.db2.gz RMCUEXOWXKWWCA-GOSISDBHSA-N 1 0 367.449 4.030 20 5 FIBDRO COc1ccc2cc(C[N@H+](C)CCc3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000522268451 1093254493 /nfs/dbraw/zinc/25/44/93/1093254493.db2.gz NSCIKAFOYHLNFQ-UHFFFAOYSA-N 1 0 350.418 4.431 20 5 FIBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)Oc1ccccc1 ZINC000522282681 1093276112 /nfs/dbraw/zinc/27/61/12/1093276112.db2.gz AAIWVDJBHAZDMK-UHFFFAOYSA-N 1 0 366.364 4.143 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000063549433 1093300641 /nfs/dbraw/zinc/30/06/41/1093300641.db2.gz HFPFQTCXLYNACJ-IBGZPJMESA-N 1 0 371.412 4.208 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433137685 1093322447 /nfs/dbraw/zinc/32/24/47/1093322447.db2.gz UVNIMIRHJBUOAK-HRAATJIYSA-N 1 0 365.477 4.433 20 5 FIBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433137686 1093322728 /nfs/dbraw/zinc/32/27/28/1093322728.db2.gz UVNIMIRHJBUOAK-IERDGZPVSA-N 1 0 365.477 4.433 20 5 FIBDRO CC1(C)C[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433146887 1093331880 /nfs/dbraw/zinc/33/18/80/1093331880.db2.gz MWMJFQIAQJFKGZ-OALUTQOASA-N 1 0 369.465 4.337 20 5 FIBDRO COCCOc1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433151209 1093343582 /nfs/dbraw/zinc/34/35/82/1093343582.db2.gz NIGXDECLXBKNMY-FQEVSTJZSA-N 1 0 370.449 4.132 20 5 FIBDRO CC1(C)C[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)c2cc([N+](=O)[O-])ccc21 ZINC000433163148 1093350468 /nfs/dbraw/zinc/35/04/68/1093350468.db2.gz NXNAEUUSHUFLBM-IBGZPJMESA-N 1 0 364.449 4.416 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000433199060 1093407338 /nfs/dbraw/zinc/40/73/38/1093407338.db2.gz JNEFWZGJUJIQKZ-LICLKQGHSA-N 1 0 366.461 4.144 20 5 FIBDRO Cn1nc(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000433239273 1093453581 /nfs/dbraw/zinc/45/35/81/1093453581.db2.gz JRTBDYVGFLYVBI-LJQANCHMSA-N 1 0 364.449 4.036 20 5 FIBDRO COC[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000433287315 1093545618 /nfs/dbraw/zinc/54/56/18/1093545618.db2.gz PAEBJTDFBVNGEL-RTBURBONSA-N 1 0 358.413 4.434 20 5 FIBDRO CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CC2 ZINC000433291843 1093549308 /nfs/dbraw/zinc/54/93/08/1093549308.db2.gz XNYVWHYEWCLGJE-FOIQADDNSA-N 1 0 368.481 4.242 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccnc(OC3CCC3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433304286 1093558521 /nfs/dbraw/zinc/55/85/21/1093558521.db2.gz MTVJXVQIOLLVQM-LJQANCHMSA-N 1 0 367.449 4.433 20 5 FIBDRO CSCCCCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000185159870 1093571612 /nfs/dbraw/zinc/57/16/12/1093571612.db2.gz VZADWJQGJRGWJU-UHFFFAOYSA-N 1 0 351.497 4.341 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000433310507 1093576579 /nfs/dbraw/zinc/57/65/79/1093576579.db2.gz CDCNNOVGKXOAMO-GOSISDBHSA-N 1 0 360.841 4.242 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513112009 1093851677 /nfs/dbraw/zinc/85/16/77/1093851677.db2.gz RAHCAJKGLSHDRC-KSSFIOAISA-N 1 0 356.422 4.071 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000086234967 1093894762 /nfs/dbraw/zinc/89/47/62/1093894762.db2.gz PNYGBLRTTGCPRR-CQSZACIVSA-N 1 0 357.410 4.050 20 5 FIBDRO C[C@@H]([NH2+]CCCn1ccnc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151108202 1093904709 /nfs/dbraw/zinc/90/47/09/1093904709.db2.gz UPGXSLIXZIRKBV-CQSZACIVSA-N 1 0 356.451 4.261 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473512385 1093905491 /nfs/dbraw/zinc/90/54/91/1093905491.db2.gz HSSHTZPEROQQEL-IAGOWNOFSA-N 1 0 368.481 4.234 20 5 FIBDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000513256247 1094038839 /nfs/dbraw/zinc/03/88/39/1094038839.db2.gz KQNPVTOAACKDIR-KDOFPFPSSA-N 1 0 364.405 4.228 20 5 FIBDRO CCN(C[C@@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1)CC(F)(F)F ZINC000182823757 1094172726 /nfs/dbraw/zinc/17/27/26/1094172726.db2.gz WRPCSUAIEQHNCS-GJZGRUSLSA-N 1 0 373.419 4.170 20 5 FIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(Sc2ccccn2)o1 ZINC000513552636 1094209491 /nfs/dbraw/zinc/20/94/91/1094209491.db2.gz CICSIABLACLSKN-UHFFFAOYSA-N 1 0 369.446 4.409 20 5 FIBDRO CC(C)([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000168482383 1094360974 /nfs/dbraw/zinc/36/09/74/1094360974.db2.gz STIPNPJHSREOSC-UHFFFAOYSA-N 1 0 354.328 4.360 20 5 FIBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000413233271 1094765371 /nfs/dbraw/zinc/76/53/71/1094765371.db2.gz CRUGBYBBHAQPMX-VXGBXAGGSA-N 1 0 372.391 4.074 20 5 FIBDRO CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000544370685 1095011587 /nfs/dbraw/zinc/01/15/87/1095011587.db2.gz KELOATWCIFAWGY-PIGZYNQJSA-N 1 0 352.793 4.253 20 5 FIBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000421562555 1095703351 /nfs/dbraw/zinc/70/33/51/1095703351.db2.gz YEBZYIVWSZPLSR-SFHVURJKSA-N 1 0 353.422 4.013 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000421876791 1095971964 /nfs/dbraw/zinc/97/19/64/1095971964.db2.gz KBVUCCBFXZHWOC-ZFWWWQNUSA-N 1 0 350.484 4.177 20 5 FIBDRO COc1cccc([C@H](C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)OC)c1 ZINC001203216336 1096387216 /nfs/dbraw/zinc/38/72/16/1096387216.db2.gz RUTCSLAZZCAJMQ-FQEVSTJZSA-N 1 0 358.438 4.204 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC12CCOCC2 ZINC000503889222 1096584308 /nfs/dbraw/zinc/58/43/08/1096584308.db2.gz WDORSXWETOYURB-CRAIPNDOSA-N 1 0 364.511 4.404 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000515410492 1098561878 /nfs/dbraw/zinc/56/18/78/1098561878.db2.gz ITJKPCKMCNYEMN-OAHLLOKOSA-N 1 0 353.422 4.222 20 5 FIBDRO C[C@H](Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000436330641 1098934144 /nfs/dbraw/zinc/93/41/44/1098934144.db2.gz MCIAMLOULOHRGQ-RYUDHWBXSA-N 1 0 372.391 4.074 20 5 FIBDRO Cc1ccc(C[C@H](C)[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000533293960 1098942543 /nfs/dbraw/zinc/94/25/43/1098942543.db2.gz BNLBCBBJGWBMGI-HNNXBMFYSA-N 1 0 366.421 4.016 20 5 FIBDRO C[C@@H](c1ccc(F)c(Cl)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533380297 1098996325 /nfs/dbraw/zinc/99/63/25/1098996325.db2.gz HUDQYWZKFZPFND-WCQYABFASA-N 1 0 364.808 4.030 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000533435532 1099055153 /nfs/dbraw/zinc/05/51/53/1099055153.db2.gz IAOYKGHLJPDULI-AEFFLSMTSA-N 1 0 367.449 4.110 20 5 FIBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000533435583 1099055737 /nfs/dbraw/zinc/05/57/37/1099055737.db2.gz LYBVWMIVCSHKDD-MAUKXSAKSA-N 1 0 367.449 4.110 20 5 FIBDRO [NH3+]C1(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCC1 ZINC000414886492 1099071365 /nfs/dbraw/zinc/07/13/65/1099071365.db2.gz YGBRAKLOPZRUTJ-UHFFFAOYSA-N 1 0 361.829 4.012 20 5 FIBDRO CC[C@@H](c1ccccc1)[N@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000508671901 1099477979 /nfs/dbraw/zinc/47/79/79/1099477979.db2.gz PHMXUDAIHPCMGD-IBGZPJMESA-N 1 0 356.422 4.435 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccc(F)cc3)o2)c([N+](=O)[O-])c1 ZINC000237432367 1099508747 /nfs/dbraw/zinc/50/87/47/1099508747.db2.gz SHIXHJCFLDORSP-UHFFFAOYSA-N 1 0 356.353 4.292 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000467354187 1099736144 /nfs/dbraw/zinc/73/61/44/1099736144.db2.gz MACYEZRUWNRMNU-WBVHZDCISA-N 1 0 355.438 4.123 20 5 FIBDRO COc1ccc(C[N@@H+]2CCC[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000536674198 1100160361 /nfs/dbraw/zinc/16/03/61/1100160361.db2.gz PGEHWOVNKTVYIK-OAHLLOKOSA-N 1 0 356.422 4.167 20 5 FIBDRO Cn1cc(C[N@@H+]2CCC3(C2)CCCCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000536677534 1100169405 /nfs/dbraw/zinc/16/94/05/1100169405.db2.gz FDRGNDOPRCFYIJ-UHFFFAOYSA-N 1 0 354.454 4.152 20 5 FIBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](C)C2(CCC2)C1 ZINC000536703801 1100209832 /nfs/dbraw/zinc/20/98/32/1100209832.db2.gz ZNINXKKZJTYCPH-CHWSQXEVSA-N 1 0 365.861 4.087 20 5 FIBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000536722916 1100247310 /nfs/dbraw/zinc/24/73/10/1100247310.db2.gz XEOJTKKKXUWXCZ-DOTOQJQBSA-N 1 0 355.438 4.020 20 5 FIBDRO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000459597441 1100334477 /nfs/dbraw/zinc/33/44/77/1100334477.db2.gz PJJMAGUHYWGNPP-UHFFFAOYSA-N 1 0 370.375 4.005 20 5 FIBDRO COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000536826767 1100342205 /nfs/dbraw/zinc/34/22/05/1100342205.db2.gz KLVXSXGJCPDGNJ-HUUCEWRRSA-N 1 0 358.438 4.141 20 5 FIBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c2ccccc21 ZINC000536843494 1100356389 /nfs/dbraw/zinc/35/63/89/1100356389.db2.gz FLDCZTPRDPQXGJ-KUHUBIRLSA-N 1 0 353.422 4.052 20 5 FIBDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000536849185 1100362769 /nfs/dbraw/zinc/36/27/69/1100362769.db2.gz ANXCLVHGOUAZTH-BXTJHSDWSA-N 1 0 358.438 4.339 20 5 FIBDRO Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000459642980 1100380917 /nfs/dbraw/zinc/38/09/17/1100380917.db2.gz CICGFMXFIIBIBZ-INIZCTEOSA-N 1 0 372.387 4.084 20 5 FIBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCCC[C@@H]1C ZINC000517535990 1100473012 /nfs/dbraw/zinc/47/30/12/1100473012.db2.gz SDRQPFVVYTVTAP-JKSUJKDBSA-N 1 0 357.454 4.207 20 5 FIBDRO C[C@@H]([NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCCC1)c1ccccc1 ZINC000517621357 1100553904 /nfs/dbraw/zinc/55/39/04/1100553904.db2.gz MRAAKIRKWLUDIJ-CQSZACIVSA-N 1 0 373.478 4.050 20 5 FIBDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000517778631 1100656675 /nfs/dbraw/zinc/65/66/75/1100656675.db2.gz ZLMNCZQGIMXPOD-GOSISDBHSA-N 1 0 369.396 4.043 20 5 FIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Oc1ccccc1 ZINC000506285041 1100761501 /nfs/dbraw/zinc/76/15/01/1100761501.db2.gz OOBWNIVJSPGIQI-HNNXBMFYSA-N 1 0 352.390 4.412 20 5 FIBDRO C[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)[N@@H+]1CCC[C@@H](C)C1 ZINC000518031469 1100874777 /nfs/dbraw/zinc/87/47/77/1100874777.db2.gz VJAGHZJMENWWTM-SJORKVTESA-N 1 0 361.489 4.238 20 5 FIBDRO Cc1ccc2cc(C[NH2+]CCc3c[nH]c4ccc([N+](=O)[O-])cc34)ccc2n1 ZINC000518250218 1101047704 /nfs/dbraw/zinc/04/77/04/1101047704.db2.gz VNFWXSMDUVTIFR-UHFFFAOYSA-N 1 0 360.417 4.265 20 5 FIBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(C)C ZINC000518523567 1101280111 /nfs/dbraw/zinc/28/01/11/1101280111.db2.gz GZJKLINRFPCLFF-AWEZNQCLSA-N 1 0 370.881 4.126 20 5 FIBDRO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000518562230 1101304997 /nfs/dbraw/zinc/30/49/97/1101304997.db2.gz CLGBEDLSHDXYJJ-IAGOWNOFSA-N 1 0 356.422 4.340 20 5 FIBDRO CC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000537027553 1101404246 /nfs/dbraw/zinc/40/42/46/1101404246.db2.gz CTSAQHUBWKESFY-HNNXBMFYSA-N 1 0 361.829 4.236 20 5 FIBDRO Cc1cccc([C@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1C ZINC000537088017 1101453557 /nfs/dbraw/zinc/45/35/57/1101453557.db2.gz QBTUNWICEGJDFY-INIZCTEOSA-N 1 0 355.438 4.199 20 5 FIBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](Cc2ccccc2Cl)c2ccccc2)n1 ZINC000537108532 1101475105 /nfs/dbraw/zinc/47/51/05/1101475105.db2.gz YEPPHFLOLKBUMM-SFHVURJKSA-N 1 0 370.840 4.018 20 5 FIBDRO C[N@H+](CCc1cccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1)C1CC1 ZINC000537128173 1101484634 /nfs/dbraw/zinc/48/46/34/1101484634.db2.gz XQXFHLCOCGLUFL-UHFFFAOYSA-N 1 0 373.840 4.137 20 5 FIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cc2cccc(F)c2o1 ZINC000475719180 1101487391 /nfs/dbraw/zinc/48/73/91/1101487391.db2.gz SHGDJWKFPOENCL-GFCCVEGCSA-N 1 0 371.368 4.160 20 5 FIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1Cl ZINC000537174588 1101518980 /nfs/dbraw/zinc/51/89/80/1101518980.db2.gz SWPANOXXLQOBCQ-NSHDSACASA-N 1 0 365.792 4.067 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000537175601 1101520253 /nfs/dbraw/zinc/52/02/53/1101520253.db2.gz RLFORZRMVIHHGH-IIBYNOLFSA-N 1 0 369.465 4.067 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000537291294 1101611174 /nfs/dbraw/zinc/61/11/74/1101611174.db2.gz OXIQVDUZVBVFSV-NRFANRHFSA-N 1 0 367.449 4.281 20 5 FIBDRO COc1ccc([C@H]2CCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])cc1OC ZINC000506636063 1101631636 /nfs/dbraw/zinc/63/16/36/1101631636.db2.gz ZSHMXNHGJZHCAE-KRZKXXONSA-N 1 0 368.433 4.462 20 5 FIBDRO COc1ccc([C@H]2CCC[N@@H+]2C/C=C\c2ccccc2[N+](=O)[O-])cc1OC ZINC000506636061 1101631682 /nfs/dbraw/zinc/63/16/82/1101631682.db2.gz ZSHMXNHGJZHCAE-GNJLHFKMSA-N 1 0 368.433 4.462 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000439777120 1101757521 /nfs/dbraw/zinc/75/75/21/1101757521.db2.gz ZHEXAKCGXKGGQP-UAPYVXQJSA-N 1 0 369.465 4.098 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000026226339 1101948244 /nfs/dbraw/zinc/94/82/44/1101948244.db2.gz RLJGJJFLFCNKPH-UHFFFAOYSA-N 1 0 361.829 4.017 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000532441270 1102328324 /nfs/dbraw/zinc/32/83/24/1102328324.db2.gz QEMIGHTUJYPVDF-CYBMUJFWSA-N 1 0 350.365 4.398 20 5 FIBDRO C[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]2CCCC[C@H]12 ZINC000532470977 1102389459 /nfs/dbraw/zinc/38/94/59/1102389459.db2.gz DAJAMLNMTFTHSG-XYPHTWIQSA-N 1 0 356.426 4.045 20 5 FIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000532638030 1102627706 /nfs/dbraw/zinc/62/77/06/1102627706.db2.gz WNRDBFYDBIWSQW-HNNXBMFYSA-N 1 0 357.479 4.310 20 5 FIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccccc1Cl ZINC000550920355 1102691398 /nfs/dbraw/zinc/69/13/98/1102691398.db2.gz DSVPBXBPLCJOOB-STQMWFEESA-N 1 0 361.829 4.316 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000537651178 1102704174 /nfs/dbraw/zinc/70/41/74/1102704174.db2.gz ZJGWZLNDHCEWHC-ZAOIQFLMSA-N 1 0 352.434 4.147 20 5 FIBDRO O=C(CC[N@@H+]1CCC[C@@H](c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000550990856 1102750433 /nfs/dbraw/zinc/75/04/33/1102750433.db2.gz BYGJVBUQRQELGW-GOSISDBHSA-N 1 0 367.449 4.193 20 5 FIBDRO CCC(CC)([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)c(Cl)c1 ZINC000476835002 1102896458 /nfs/dbraw/zinc/89/64/58/1102896458.db2.gz ZKMZGJUDDSTQSO-UHFFFAOYSA-N 1 0 371.268 4.440 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000551097100 1102914269 /nfs/dbraw/zinc/91/42/69/1102914269.db2.gz KQUZRGQLGZQUPV-KGLIPLIRSA-N 1 0 373.419 4.217 20 5 FIBDRO Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc(C)c1OC(F)F ZINC000729682100 1103037320 /nfs/dbraw/zinc/03/73/20/1103037320.db2.gz LEPFRJHCJCASEV-UHFFFAOYSA-N 1 0 350.365 4.145 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(N3CCCCC3)c1)CCC2 ZINC000192689316 1103046540 /nfs/dbraw/zinc/04/65/40/1103046540.db2.gz ILHUYDUVWYZKSH-HXUWFJFHSA-N 1 0 366.465 4.147 20 5 FIBDRO CN(Cc1ccc(Br)c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000507147406 1103148288 /nfs/dbraw/zinc/14/82/88/1103148288.db2.gz YIVHRDAENYIRPZ-UHFFFAOYSA-N 1 0 353.191 4.128 20 5 FIBDRO CCOc1ccc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1OC ZINC000507165771 1103164985 /nfs/dbraw/zinc/16/49/85/1103164985.db2.gz AHEGWWMFKJRMNT-UHFFFAOYSA-N 1 0 356.422 4.167 20 5 FIBDRO CC[N@H+](CCc1ccccc1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000507165806 1103165325 /nfs/dbraw/zinc/16/53/25/1103165325.db2.gz AWZACTJSAYFVFD-UHFFFAOYSA-N 1 0 364.449 4.060 20 5 FIBDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccccc1[N+](=O)[O-] ZINC000507178240 1103178572 /nfs/dbraw/zinc/17/85/72/1103178572.db2.gz FDDVXJOTNMRUDU-UHFFFAOYSA-N 1 0 351.406 4.314 20 5 FIBDRO COCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 ZINC000507170155 1103186977 /nfs/dbraw/zinc/18/69/77/1103186977.db2.gz ZNVNAGFJJHHJAE-UHFFFAOYSA-N 1 0 350.802 4.119 20 5 FIBDRO CC(C)[N@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000507173376 1103193579 /nfs/dbraw/zinc/19/35/79/1103193579.db2.gz MCICTVKKKIOKCB-UHFFFAOYSA-N 1 0 350.422 4.396 20 5 FIBDRO CCC1(C)CC[NH+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000507201089 1103198078 /nfs/dbraw/zinc/19/80/78/1103198078.db2.gz DJCYNVGDQPTPDD-UHFFFAOYSA-N 1 0 358.385 4.217 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000507283396 1103276260 /nfs/dbraw/zinc/27/62/60/1103276260.db2.gz YCSAHLQLKWHDKU-AWEZNQCLSA-N 1 0 371.412 4.146 20 5 FIBDRO Cc1c([C@H](C)N[C@H](C[NH+]2CCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000120833507 1103374319 /nfs/dbraw/zinc/37/43/19/1103374319.db2.gz MFYDKJLCEHGJAB-FXAWDEMLSA-N 1 0 353.466 4.391 20 5 FIBDRO Cc1n[nH]cc1C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000551571245 1103376090 /nfs/dbraw/zinc/37/60/90/1103376090.db2.gz LVYDMFZHKNZXKP-UHFFFAOYSA-N 1 0 366.421 4.266 20 5 FIBDRO CCSc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000507548211 1103488207 /nfs/dbraw/zinc/48/82/07/1103488207.db2.gz JTCUGJCSIMKDTB-ZIAGYGMSSA-N 1 0 373.478 4.385 20 5 FIBDRO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCCC3)cc2)c2ncccc12 ZINC000537795181 1103936641 /nfs/dbraw/zinc/93/66/41/1103936641.db2.gz MXODMLOUBBRHGE-UHFFFAOYSA-N 1 0 362.433 4.351 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]CCCCSC)o2)c([N+](=O)[O-])c1 ZINC000130464988 1103943803 /nfs/dbraw/zinc/94/38/03/1103943803.db2.gz AREWPQOQIXQFFD-UHFFFAOYSA-N 1 0 350.440 4.096 20 5 FIBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000538168229 1104005261 /nfs/dbraw/zinc/00/52/61/1104005261.db2.gz RFZPOAKMABMYDF-AWEZNQCLSA-N 1 0 370.384 4.074 20 5 FIBDRO CC(C)C[C@H](NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000538180109 1104012618 /nfs/dbraw/zinc/01/26/18/1104012618.db2.gz RQLXCRRSVZVADV-UZLBHIALSA-N 1 0 369.465 4.149 20 5 FIBDRO Cc1cc(C)cc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000538204701 1104017147 /nfs/dbraw/zinc/01/71/47/1104017147.db2.gz MELQWHMXZOFSRQ-CYBMUJFWSA-N 1 0 361.829 4.154 20 5 FIBDRO COc1ccc(OCC[N@@H+]2CCCCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000441377300 1104317046 /nfs/dbraw/zinc/31/70/46/1104317046.db2.gz ASZBOTKJWSPMPT-INIZCTEOSA-N 1 0 360.410 4.193 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000441403299 1104345956 /nfs/dbraw/zinc/34/59/56/1104345956.db2.gz KQHVLVCEUIXTMV-HOCLYGCPSA-N 1 0 356.397 4.390 20 5 FIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc(F)c(F)c(F)c1 ZINC000574841156 1105104854 /nfs/dbraw/zinc/10/48/54/1105104854.db2.gz VEIMXRKSUXPGNV-JTQLQIEISA-N 1 0 363.339 4.387 20 5 FIBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC000520785479 1105274542 /nfs/dbraw/zinc/27/45/42/1105274542.db2.gz VZPFQPFKFKCBNI-UHFFFAOYSA-N 1 0 354.328 4.124 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@](C)(O)CC2)cc1[N+](=O)[O-] ZINC000475333063 1106737750 /nfs/dbraw/zinc/73/77/50/1106737750.db2.gz RUKLSKQTWNLJMI-OAQYLSRUSA-N 1 0 369.465 4.100 20 5 FIBDRO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451109108 1106925715 /nfs/dbraw/zinc/92/57/15/1106925715.db2.gz XUPVDNSTZXKJLR-LSDHHAIUSA-N 1 0 355.438 4.396 20 5 FIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(C2CC2)c1 ZINC000451110659 1106926740 /nfs/dbraw/zinc/92/67/40/1106926740.db2.gz FGWFZRGTARHTEM-LBPRGKRZSA-N 1 0 373.840 4.415 20 5 FIBDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000451103439 1106933064 /nfs/dbraw/zinc/93/30/64/1106933064.db2.gz NUINRIRGACFDAN-INIZCTEOSA-N 1 0 350.422 4.248 20 5 FIBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000530626142 1107206152 /nfs/dbraw/zinc/20/61/52/1107206152.db2.gz QLAOVHZKUGQPEY-QFIPXVFZSA-N 1 0 365.477 4.083 20 5 FIBDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000530728441 1107289859 /nfs/dbraw/zinc/28/98/59/1107289859.db2.gz LZHNHVJMTFEFME-UONOGXRCSA-N 1 0 359.401 4.029 20 5 FIBDRO C[C@H](Cc1ccncc1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000530913234 1107407027 /nfs/dbraw/zinc/40/70/27/1107407027.db2.gz BZOHUYCNYNPZDX-CQSZACIVSA-N 1 0 353.447 4.439 20 5 FIBDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000508482872 1107409052 /nfs/dbraw/zinc/40/90/52/1107409052.db2.gz CFLXNAYZLXSIOO-UHFFFAOYSA-N 1 0 355.438 4.387 20 5 FIBDRO CC(C)[C@@H](CO)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000530933012 1107421993 /nfs/dbraw/zinc/42/19/93/1107421993.db2.gz DUZDDNJUYJBZLH-OAHLLOKOSA-N 1 0 364.829 4.147 20 5 FIBDRO O=[N+]([O-])c1cccc(Cl)c1CN[C@@H](c1cccs1)C1(CO)CCC1 ZINC000452059458 1107454889 /nfs/dbraw/zinc/45/48/89/1107454889.db2.gz KMXCDAUJKQQLHQ-INIZCTEOSA-N 1 0 366.870 4.303 20 5 FIBDRO Cc1cccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000452083505 1107461019 /nfs/dbraw/zinc/46/10/19/1107461019.db2.gz JZAPIKHCYQIKHB-QWHCGFSZSA-N 1 0 361.829 4.234 20 5 FIBDRO C[C@@H](N[C@H](C)c1c(F)cccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000531204611 1107646741 /nfs/dbraw/zinc/64/67/41/1107646741.db2.gz ZMUTWKOGKXEYMU-GHMZBOCLSA-N 1 0 365.792 4.065 20 5 FIBDRO Cn1cc([C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)(C)C)cn1 ZINC000531206366 1107650432 /nfs/dbraw/zinc/65/04/32/1107650432.db2.gz VUTNJWTUXFZKQB-IBGZPJMESA-N 1 0 368.437 4.465 20 5 FIBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000909600502 1107793757 /nfs/dbraw/zinc/79/37/57/1107793757.db2.gz FYNIMDLNFDXBQR-UHFFFAOYSA-N 1 0 373.428 4.020 20 5 FIBDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)CCO2 ZINC000186698153 1107956493 /nfs/dbraw/zinc/95/64/93/1107956493.db2.gz UNAWEOSBMHKQMN-KSSFIOAISA-N 1 0 356.422 4.476 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000531692566 1108059638 /nfs/dbraw/zinc/05/96/38/1108059638.db2.gz GUOGQNOTGANBRD-APWZRJJASA-N 1 0 357.454 4.374 20 5 FIBDRO C[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCC(C)CC1 ZINC000520221078 1108068090 /nfs/dbraw/zinc/06/80/90/1108068090.db2.gz LRTGKCQVJFJZEV-MRXNPFEDSA-N 1 0 357.454 4.065 20 5 FIBDRO COc1ccccc1N1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000531707602 1108085137 /nfs/dbraw/zinc/08/51/37/1108085137.db2.gz NAFMQDVTGYEZSG-INIZCTEOSA-N 1 0 369.465 4.231 20 5 FIBDRO C[C@@H]([NH2+]C1(CNCc2cccc([N+](=O)[O-])c2)CCCC1)c1ccccc1 ZINC000523520434 1108298515 /nfs/dbraw/zinc/29/85/15/1108298515.db2.gz RFNUNBIPKFTHRY-QGZVFWFLSA-N 1 0 353.466 4.348 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)n1)C1CC1 ZINC000453268925 1108344900 /nfs/dbraw/zinc/34/49/00/1108344900.db2.gz OUMGSLDIXMAJFO-OAHLLOKOSA-N 1 0 365.355 4.120 20 5 FIBDRO COc1ncc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000453300109 1108376908 /nfs/dbraw/zinc/37/69/08/1108376908.db2.gz VDVLCFPXNZJXTH-INIZCTEOSA-N 1 0 361.829 4.164 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000453318498 1108407413 /nfs/dbraw/zinc/40/74/13/1108407413.db2.gz MDIMPWBXOSBULG-HOTGVXAUSA-N 1 0 364.511 4.404 20 5 FIBDRO CC[C@H]([NH2+]C[C@@H](C)N1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000531954015 1108441063 /nfs/dbraw/zinc/44/10/63/1108441063.db2.gz VEHAGASUMCIXIE-KDOFPFPSSA-N 1 0 359.495 4.144 20 5 FIBDRO Cc1cc(N(C)Cc2cnc(C(C)C)nc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000440668021 1108476364 /nfs/dbraw/zinc/47/63/64/1108476364.db2.gz VANWCXWILOVQDH-UHFFFAOYSA-N 1 0 351.410 4.001 20 5 FIBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000453363769 1108479119 /nfs/dbraw/zinc/47/91/19/1108479119.db2.gz RIDIZQBBQYYQBU-XPGWFJOJSA-N 1 0 367.449 4.222 20 5 FIBDRO COc1ccc(CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC(C)C)cc1OC ZINC000523761121 1108507164 /nfs/dbraw/zinc/50/71/64/1108507164.db2.gz XEVXPYZNSMUESE-UHFFFAOYSA-N 1 0 372.465 4.313 20 5 FIBDRO C[NH+](C)CC[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)C ZINC000523864073 1108614451 /nfs/dbraw/zinc/61/44/51/1108614451.db2.gz GIRXDCADCJFQIX-LJQANCHMSA-N 1 0 359.470 4.311 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCC3CC(F)(F)C3)cs2)c1 ZINC000453587518 1108646169 /nfs/dbraw/zinc/64/61/69/1108646169.db2.gz KAWWSUQXMKIZTN-UHFFFAOYSA-N 1 0 353.394 4.243 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000532188011 1108699012 /nfs/dbraw/zinc/69/90/12/1108699012.db2.gz ZEIGGDBBNVSMBC-QAPCUYQASA-N 1 0 359.495 4.452 20 5 FIBDRO CC(C)(CCO)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000525208041 1109301578 /nfs/dbraw/zinc/30/15/78/1109301578.db2.gz KFVSXKGZBXHJSQ-UHFFFAOYSA-N 1 0 362.401 4.024 20 5 FIBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000446832918 1109355415 /nfs/dbraw/zinc/35/54/15/1109355415.db2.gz QRIMIYFMCIWZKN-MRXNPFEDSA-N 1 0 352.818 4.005 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(Oc2ncccc2C)CC1 ZINC000429715798 1109446639 /nfs/dbraw/zinc/44/66/39/1109446639.db2.gz JIAUCBXJUYBDSJ-MRXNPFEDSA-N 1 0 355.438 4.211 20 5 FIBDRO COc1ccc(OCC[N@H+](Cc2ccco2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000441208775 1109453012 /nfs/dbraw/zinc/45/30/12/1109453012.db2.gz RJCZKMFOHJJPEJ-UHFFFAOYSA-N 1 0 360.410 4.020 20 5 FIBDRO COc1ccc(OCC[N@H+](Cc2cccc(F)c2)C(C)C)c([N+](=O)[O-])c1 ZINC000441223078 1109475407 /nfs/dbraw/zinc/47/54/07/1109475407.db2.gz AXEALWBPOAWRHA-UHFFFAOYSA-N 1 0 362.401 4.032 20 5 FIBDRO CC1(C)[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]2CCCO[C@@H]21 ZINC000525709616 1109488352 /nfs/dbraw/zinc/48/83/52/1109488352.db2.gz UKOMACRUWAGVLA-ZACQAIPSSA-N 1 0 373.478 4.012 20 5 FIBDRO C[C@H](OCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447517879 1109558831 /nfs/dbraw/zinc/55/88/31/1109558831.db2.gz UWVUXOSUCJMANC-YTQUADARSA-N 1 0 372.469 4.033 20 5 FIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2s1 ZINC000525951870 1109561361 /nfs/dbraw/zinc/56/13/61/1109561361.db2.gz DHYAVFIDEWWDFD-ZDUSSCGKSA-N 1 0 369.446 4.489 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1cc2ccccc2s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000525951745 1109561558 /nfs/dbraw/zinc/56/15/58/1109561558.db2.gz DPFAJFVHFOZRKU-CHWSQXEVSA-N 1 0 369.446 4.487 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCCCC3)nc1)CCC2 ZINC000447528175 1109562843 /nfs/dbraw/zinc/56/28/43/1109562843.db2.gz HIAAZQIRTIATOE-FQEVSTJZSA-N 1 0 366.465 4.147 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Cl)c3c(c1)OCCO3)CCC2 ZINC000447541599 1109573474 /nfs/dbraw/zinc/57/34/74/1109573474.db2.gz GVAKFCYSWAUJFU-KRWDZBQOSA-N 1 0 374.824 4.187 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2csc3ccccc23)n1 ZINC000447547479 1109575156 /nfs/dbraw/zinc/57/51/56/1109575156.db2.gz CDQUNHXSZCXGIC-HZPDHXFCSA-N 1 0 356.451 4.280 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCc2ccc(Cl)cc2)n1 ZINC000447584104 1109587031 /nfs/dbraw/zinc/58/70/31/1109587031.db2.gz DVCMWPIPOKZKTH-IAGOWNOFSA-N 1 0 362.861 4.151 20 5 FIBDRO Cn1cc(-c2ccccc2C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000447589571 1109588565 /nfs/dbraw/zinc/58/85/65/1109588565.db2.gz YEQUCMDGWAEIEY-NRFANRHFSA-N 1 0 362.433 4.163 20 5 FIBDRO CN1CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000447589114 1109588807 /nfs/dbraw/zinc/58/88/07/1109588807.db2.gz WXTHTDIZDRTGLH-HKBOAZHASA-N 1 0 351.450 4.007 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000526096955 1109618020 /nfs/dbraw/zinc/61/80/20/1109618020.db2.gz KVYSZXQHQITBEX-SJORKVTESA-N 1 0 374.485 4.022 20 5 FIBDRO COc1ccc(C[N@H+]2[C@H](C)C[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000527238483 1109720018 /nfs/dbraw/zinc/72/00/18/1109720018.db2.gz FOSJFZAUTNGYJW-GASCZTMLSA-N 1 0 356.422 4.165 20 5 FIBDRO CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449083214 1109975439 /nfs/dbraw/zinc/97/54/39/1109975439.db2.gz SJCWSVQAVLHIGX-HNNXBMFYSA-N 1 0 355.438 4.054 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000449171444 1109987911 /nfs/dbraw/zinc/98/79/11/1109987911.db2.gz AGCXAVLAYDTYKE-OPYAIIAOSA-N 1 0 367.493 4.169 20 5 FIBDRO CC(C)([NH2+]Cc1ccc2c(c1)OCCCCO2)c1ccccc1[N+](=O)[O-] ZINC000449338919 1110032817 /nfs/dbraw/zinc/03/28/17/1110032817.db2.gz HZEFOLZOVPVAKN-UHFFFAOYSA-N 1 0 356.422 4.171 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000449334349 1110039785 /nfs/dbraw/zinc/03/97/85/1110039785.db2.gz XALLESCAYXGMJI-JKSUJKDBSA-N 1 0 350.422 4.062 20 5 FIBDRO COc1cc(C[NH2+]C2CC(C)(F)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000449370104 1110045703 /nfs/dbraw/zinc/04/57/03/1110045703.db2.gz IKECKLPVHZYECR-UHFFFAOYSA-N 1 0 374.412 4.163 20 5 FIBDRO C[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc2O1 ZINC000449422798 1110070963 /nfs/dbraw/zinc/07/09/63/1110070963.db2.gz FOYDJWBDELHLMV-IAQYHMDHSA-N 1 0 364.348 4.198 20 5 FIBDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000449448530 1110072745 /nfs/dbraw/zinc/07/27/45/1110072745.db2.gz IAOHSSHPLVZNBO-ZDUSSCGKSA-N 1 0 362.401 4.165 20 5 FIBDRO CC(C)c1ccc(C[NH2+]Cc2ccnc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000449435704 1110078203 /nfs/dbraw/zinc/07/82/03/1110078203.db2.gz AIBBYKIKEMNNBG-UHFFFAOYSA-N 1 0 353.344 4.422 20 5 FIBDRO CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H]1C ZINC000449492919 1110087856 /nfs/dbraw/zinc/08/78/56/1110087856.db2.gz CUQAUINPSIYPCN-YVEFUNNKSA-N 1 0 364.829 4.365 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCCC3(F)F)cs2)c1 ZINC000449491325 1110091926 /nfs/dbraw/zinc/09/19/26/1110091926.db2.gz GJUSBUHYKSCVDG-GFCCVEGCSA-N 1 0 353.394 4.243 20 5 FIBDRO CCC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)COC1 ZINC000449596731 1110121437 /nfs/dbraw/zinc/12/14/37/1110121437.db2.gz CHNDQEMCMPFOII-UHFFFAOYSA-N 1 0 350.802 4.024 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccccc3CO)o2)c(Cl)c1 ZINC000538376068 1111114088 /nfs/dbraw/zinc/11/40/88/1111114088.db2.gz ZNBKGMPVHZMFNT-UHFFFAOYSA-N 1 0 372.808 4.290 20 5 FIBDRO CC[N@@H+]1CC[C@H](N(C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000538718095 1111260444 /nfs/dbraw/zinc/26/04/44/1111260444.db2.gz URSZNHBZTXIYMM-PBHICJAKSA-N 1 0 374.510 4.023 20 5 FIBDRO CC[C@H]([NH2+][C@@H](C)[C@H](OC)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539051109 1111400248 /nfs/dbraw/zinc/40/02/48/1111400248.db2.gz WWILDLASWMJPIP-GKCIPKSASA-N 1 0 358.438 4.420 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000539085494 1111414169 /nfs/dbraw/zinc/41/41/69/1111414169.db2.gz XCAVNFYXBJHBQX-SCLBCKFNSA-N 1 0 373.840 4.013 20 5 FIBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000539246705 1111485000 /nfs/dbraw/zinc/48/50/00/1111485000.db2.gz PAELKHMMWBLDRX-WFASDCNBSA-N 1 0 361.829 4.316 20 5 FIBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000539326002 1111522612 /nfs/dbraw/zinc/52/26/12/1111522612.db2.gz KLWQWYPKZMWJIM-INIZCTEOSA-N 1 0 363.417 4.386 20 5 FIBDRO CCN(C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000539377057 1111536973 /nfs/dbraw/zinc/53/69/73/1111536973.db2.gz PRLHGKYTPZZQEB-CVEARBPZSA-N 1 0 361.486 4.124 20 5 FIBDRO C[C@@H]1CCC[C@H](C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000552063885 1111563559 /nfs/dbraw/zinc/56/35/59/1111563559.db2.gz QNQNRSCLSWQGNF-FXRXJOCMSA-N 1 0 356.470 4.080 20 5 FIBDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000478490889 1111792182 /nfs/dbraw/zinc/79/21/82/1111792182.db2.gz NZIJVFRRSXAYKP-OAHLLOKOSA-N 1 0 355.438 4.027 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@H]2CCCc3ccc(F)cc32)n1 ZINC000479475529 1112037376 /nfs/dbraw/zinc/03/73/76/1112037376.db2.gz NCJXTEBRFZRFLU-KSZLIROESA-N 1 0 358.417 4.081 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)n1 ZINC000479523318 1112052585 /nfs/dbraw/zinc/05/25/85/1112052585.db2.gz DQSIDPBRTOLZIZ-DSLXNQLJSA-N 1 0 372.444 4.340 20 5 FIBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000554047094 1112175077 /nfs/dbraw/zinc/17/50/77/1112175077.db2.gz ACPKDAHBFKVWEI-HNAYVOBHSA-N 1 0 370.453 4.025 20 5 FIBDRO CCC(=O)c1ccc(NCc2ccccc2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000479937541 1112205180 /nfs/dbraw/zinc/20/51/80/1112205180.db2.gz FASIPLUHTVKRCR-UHFFFAOYSA-N 1 0 367.449 4.395 20 5 FIBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000479940239 1112205885 /nfs/dbraw/zinc/20/58/85/1112205885.db2.gz KSPIVAQDFAVKSK-UHFFFAOYSA-N 1 0 371.485 4.108 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)c2ccccc2)c1 ZINC000554139490 1112217021 /nfs/dbraw/zinc/21/70/21/1112217021.db2.gz HIZNFWRLRISZRH-FVJLSDCUSA-N 1 0 354.450 4.073 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nccn1-c1ccccc1 ZINC000554373289 1112324295 /nfs/dbraw/zinc/32/42/95/1112324295.db2.gz FJXWQVXTGQQPHF-IRXDYDNUSA-N 1 0 364.449 4.452 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1nccn1-c1ccccc1 ZINC000554373288 1112324551 /nfs/dbraw/zinc/32/45/51/1112324551.db2.gz FJXWQVXTGQQPHF-IAGOWNOFSA-N 1 0 364.449 4.452 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000480227669 1112339949 /nfs/dbraw/zinc/33/99/49/1112339949.db2.gz IXGRWFDKYXKKTE-KRWDZBQOSA-N 1 0 353.466 4.002 20 5 FIBDRO COc1ccc(C)cc1[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000554742772 1112468367 /nfs/dbraw/zinc/46/83/67/1112468367.db2.gz YWVOBBSPXBOMDL-CQSZACIVSA-N 1 0 353.422 4.286 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCCC3)nc2)cc1[N+](=O)[O-] ZINC000480744213 1112582887 /nfs/dbraw/zinc/58/28/87/1112582887.db2.gz XQXPYCSBKDPVPT-MRXNPFEDSA-N 1 0 354.454 4.139 20 5 FIBDRO Cc1ccc(C(C)(C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cn1 ZINC000555425209 1112841592 /nfs/dbraw/zinc/84/15/92/1112841592.db2.gz AKBGQHWTXXKBLM-UHFFFAOYSA-N 1 0 353.344 4.342 20 5 FIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc2n[nH]cc2c1 ZINC000555524436 1112910540 /nfs/dbraw/zinc/91/05/40/1112910540.db2.gz RUROFQUICVIZLN-SNVBAGLBSA-N 1 0 364.327 4.341 20 5 FIBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc3ccccc3c3cccnc23)c1 ZINC000482351022 1113229453 /nfs/dbraw/zinc/22/94/53/1113229453.db2.gz LROQAALSKSPIDE-UHFFFAOYSA-N 1 0 356.429 4.097 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CCC2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000159986808 1113277624 /nfs/dbraw/zinc/27/76/24/1113277624.db2.gz XHZJYNNCFXHTBB-CQSZACIVSA-N 1 0 373.419 4.218 20 5 FIBDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000160041421 1113286903 /nfs/dbraw/zinc/28/69/03/1113286903.db2.gz GXNLJYKFARYBJA-QGZVFWFLSA-N 1 0 368.481 4.289 20 5 FIBDRO CCCCNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000160104507 1113297857 /nfs/dbraw/zinc/29/78/57/1113297857.db2.gz FXIDUBDLJBMXMU-MRXNPFEDSA-N 1 0 369.465 4.284 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(CN(Cc3ccc(Cl)cc3)C3CC3)nc2c1 ZINC000482707992 1113337698 /nfs/dbraw/zinc/33/76/98/1113337698.db2.gz QLBUIHQTBCBWKZ-UHFFFAOYSA-N 1 0 356.813 4.289 20 5 FIBDRO Cc1cccc(CC2(O)CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000482931133 1113402233 /nfs/dbraw/zinc/40/22/33/1113402233.db2.gz WMEGPIKOXVFWNB-QGZVFWFLSA-N 1 0 354.450 4.034 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1cccc(-n2ccnc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000483146686 1113454382 /nfs/dbraw/zinc/45/43/82/1113454382.db2.gz YNXDDVFUVRAEJM-HXUWFJFHSA-N 1 0 350.422 4.412 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)cc1[N+](=O)[O-] ZINC000486434294 1113567750 /nfs/dbraw/zinc/56/77/50/1113567750.db2.gz NNJYRYWBECAZDE-HNNXBMFYSA-N 1 0 365.433 4.040 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](c2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC000027449308 1113646462 /nfs/dbraw/zinc/64/64/62/1113646462.db2.gz UJCKGFFSBLREJG-KXBFYZLASA-N 1 0 355.438 4.217 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000150324379 1113900529 /nfs/dbraw/zinc/90/05/29/1113900529.db2.gz HBEWCYLRMDZNEI-AWEZNQCLSA-N 1 0 359.401 4.064 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1c[nH]c2cccc(C)c12 ZINC000488459727 1113931617 /nfs/dbraw/zinc/93/16/17/1113931617.db2.gz OUPDKJBPUBCMQV-UHFFFAOYSA-N 1 0 353.422 4.116 20 5 FIBDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cc1 ZINC000490077281 1114213718 /nfs/dbraw/zinc/21/37/18/1114213718.db2.gz DIOOLVVACPLTBJ-GOEBONIOSA-N 1 0 351.406 4.422 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)ccc1[N+](=O)[O-] ZINC000490083615 1114216328 /nfs/dbraw/zinc/21/63/28/1114216328.db2.gz BDYCKLKVDCEEFC-SFHVURJKSA-N 1 0 355.438 4.007 20 5 FIBDRO C[C@@H](CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000490125527 1114221383 /nfs/dbraw/zinc/22/13/83/1114221383.db2.gz QHAMPVRMUPNVGJ-UWJYYQICSA-N 1 0 353.466 4.006 20 5 FIBDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491194951 1114379852 /nfs/dbraw/zinc/37/98/52/1114379852.db2.gz RKNOUINAQBZOGO-UHFFFAOYSA-N 1 0 368.412 4.189 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000586778943 1114391988 /nfs/dbraw/zinc/39/19/88/1114391988.db2.gz GPNLULMFTSPMPN-QYZOEREBSA-N 1 0 372.852 4.253 20 5 FIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000760647636 1114401868 /nfs/dbraw/zinc/40/18/68/1114401868.db2.gz DXSBYGQXYKJUNH-UHFFFAOYSA-N 1 0 360.841 4.168 20 5 FIBDRO CCN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000249702766 1114592930 /nfs/dbraw/zinc/59/29/30/1114592930.db2.gz DUOCUOHNQXIJPK-CRAIPNDOSA-N 1 0 359.495 4.314 20 5 FIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000156819658 1114596753 /nfs/dbraw/zinc/59/67/53/1114596753.db2.gz YTHTXVJVVXNJMW-UHFFFAOYSA-N 1 0 353.422 4.060 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCCOc4cc(F)ccc43)c2c1 ZINC000588959467 1114681315 /nfs/dbraw/zinc/68/13/15/1114681315.db2.gz BNBCPYBQBSMIEB-GOSISDBHSA-N 1 0 369.396 4.261 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@H]2CCCC[C@@H]12 ZINC001168400988 1115107593 /nfs/dbraw/zinc/10/75/93/1115107593.db2.gz GMKAWOOGORHIOG-XBFCOCLRSA-N 1 0 353.260 4.368 20 5 FIBDRO CCc1ccc([C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000591582548 1115109437 /nfs/dbraw/zinc/10/94/37/1115109437.db2.gz KAAOHGMACATAMH-OXQOHEQNSA-N 1 0 369.465 4.104 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000760909319 1115170925 /nfs/dbraw/zinc/17/09/25/1115170925.db2.gz QTCGXXHWBGNFBH-SRWJYRBRSA-N 1 0 354.450 4.384 20 5 FIBDRO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000592153478 1115216000 /nfs/dbraw/zinc/21/60/00/1115216000.db2.gz DLFIUUOOFVGEJJ-RDJZCZTQSA-N 1 0 370.453 4.293 20 5 FIBDRO CC(C)CCSc1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC000592357100 1115281113 /nfs/dbraw/zinc/28/11/13/1115281113.db2.gz PLJJSFFNZAYTMI-ZDUSSCGKSA-N 1 0 362.455 4.208 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](C)CC(F)F)o2)c([N+](=O)[O-])c1 ZINC000592372511 1115281424 /nfs/dbraw/zinc/28/14/24/1115281424.db2.gz CKHXXZGWQDPWCP-NSHDSACASA-N 1 0 354.353 4.244 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnn(-c3ccccc3C)c2)cc1[N+](=O)[O-] ZINC000592365371 1115283126 /nfs/dbraw/zinc/28/31/26/1115283126.db2.gz QNPMWFXJBYAKQU-INIZCTEOSA-N 1 0 350.422 4.248 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000593076380 1115299472 /nfs/dbraw/zinc/29/94/72/1115299472.db2.gz AQUIYARPYGOWDD-QWQRMKEZSA-N 1 0 370.453 4.117 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](C3CC3)C3CCOCC3)o2)cc1 ZINC000593668347 1115338743 /nfs/dbraw/zinc/33/87/43/1115338743.db2.gz JTHQGUDYNBKKJC-HXUWFJFHSA-N 1 0 356.422 4.150 20 5 FIBDRO O=[N+]([O-])c1cccc(OCC[N@H+](Cc2ccco2)Cc2ccccc2)c1 ZINC000058933394 1115355447 /nfs/dbraw/zinc/35/54/47/1115355447.db2.gz VKUOKPJOMNZYNO-UHFFFAOYSA-N 1 0 352.390 4.269 20 5 FIBDRO C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC000594500014 1115450865 /nfs/dbraw/zinc/45/08/65/1115450865.db2.gz GKZLLIXWNAFDFB-DYVFJYSZSA-N 1 0 364.405 4.025 20 5 FIBDRO COCC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000594514131 1115457419 /nfs/dbraw/zinc/45/74/19/1115457419.db2.gz HBRMJTRGCKKDFY-UHFFFAOYSA-N 1 0 350.802 4.024 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000594614618 1115472062 /nfs/dbraw/zinc/47/20/62/1115472062.db2.gz YIUJXKZZSSIDLK-UHFFFAOYSA-N 1 0 362.433 4.226 20 5 FIBDRO COc1cc(C[NH2+][C@]23C[C@H]2CCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594950994 1115502345 /nfs/dbraw/zinc/50/23/45/1115502345.db2.gz MALPEWOSUWONEM-DYESRHJHSA-N 1 0 368.433 4.215 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000595031398 1115510016 /nfs/dbraw/zinc/51/00/16/1115510016.db2.gz FOKNEHUEKOBTRP-IYJAJMOOSA-N 1 0 374.412 4.313 20 5 FIBDRO C[C@@H]([NH2+]Cc1cccc(COC[C@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000595102452 1115515905 /nfs/dbraw/zinc/51/59/05/1115515905.db2.gz ICGBBWHTHIMFRU-IIBYNOLFSA-N 1 0 370.449 4.141 20 5 FIBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000595298053 1115521569 /nfs/dbraw/zinc/52/15/69/1115521569.db2.gz NTSLCQPKSSNVJN-XLIONFOSSA-N 1 0 358.413 4.334 20 5 FIBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000595358221 1115533958 /nfs/dbraw/zinc/53/39/58/1115533958.db2.gz SHJFQONFZUDMEI-CQSZACIVSA-N 1 0 355.369 4.255 20 5 FIBDRO Cc1noc(C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000595489463 1115536890 /nfs/dbraw/zinc/53/68/90/1115536890.db2.gz AWJOIAZYGQOVIC-KBPBESRZSA-N 1 0 369.343 4.336 20 5 FIBDRO Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575195321 1115547483 /nfs/dbraw/zinc/54/74/83/1115547483.db2.gz HCYUKRFRFQRLHG-QGZVFWFLSA-N 1 0 373.840 4.162 20 5 FIBDRO COc1ccc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] ZINC000593111726 1115558101 /nfs/dbraw/zinc/55/81/01/1115558101.db2.gz LODVKGPHLHFVKM-UHFFFAOYSA-N 1 0 366.339 4.401 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cc4ccncc4s3)CC2)cc1 ZINC000597013113 1115633098 /nfs/dbraw/zinc/63/30/98/1115633098.db2.gz DECRSOJZJNLFBX-UHFFFAOYSA-N 1 0 369.446 4.248 20 5 FIBDRO CCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CCCCC1 ZINC000060495317 1115648561 /nfs/dbraw/zinc/64/85/61/1115648561.db2.gz SKIXSBMFHDWDJH-UHFFFAOYSA-N 1 0 358.442 4.437 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000602551946 1115710867 /nfs/dbraw/zinc/71/08/67/1115710867.db2.gz LXJRYSMNVOEGPP-INIZCTEOSA-N 1 0 368.355 4.217 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc(C(F)(F)F)c1 ZINC000598954382 1115772934 /nfs/dbraw/zinc/77/29/34/1115772934.db2.gz DEKUAEZSMQTRGJ-NSHDSACASA-N 1 0 354.328 4.473 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2CCCOC2)ccc1Oc1ccc(F)cc1 ZINC000598985811 1115773327 /nfs/dbraw/zinc/77/33/27/1115773327.db2.gz ZDGVYBIQCAATLU-OAHLLOKOSA-N 1 0 374.412 4.433 20 5 FIBDRO COc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc(C(F)(F)F)c1 ZINC000598978421 1115774776 /nfs/dbraw/zinc/77/47/76/1115774776.db2.gz TWEHQLACMJVSCX-UHFFFAOYSA-N 1 0 354.328 4.220 20 5 FIBDRO COc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000593674416 1115787878 /nfs/dbraw/zinc/78/78/78/1115787878.db2.gz SJXJOHQIQKVKNW-OAHLLOKOSA-N 1 0 360.385 4.135 20 5 FIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000599086453 1115788023 /nfs/dbraw/zinc/78/80/23/1115788023.db2.gz NSTLPDSNMRUXNF-LBPRGKRZSA-N 1 0 373.375 4.024 20 5 FIBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(CC4(F)F)C3)o2)c([N+](=O)[O-])c1 ZINC000593696286 1115797902 /nfs/dbraw/zinc/79/79/02/1115797902.db2.gz ZTPGWFBUCDORPI-QGZVFWFLSA-N 1 0 364.348 4.095 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc(OC)c(OC)c(OC)c1 ZINC000593704201 1115800470 /nfs/dbraw/zinc/80/04/70/1115800470.db2.gz ASQYXFHIEKCGMP-SUMWQHHRSA-N 1 0 374.437 4.423 20 5 FIBDRO CCc1ccc(CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)cc1 ZINC000603629963 1115800475 /nfs/dbraw/zinc/80/04/75/1115800475.db2.gz LCUUPBOCKAAICX-UHFFFAOYSA-N 1 0 368.433 4.188 20 5 FIBDRO Cc1c(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000603843213 1115820447 /nfs/dbraw/zinc/82/04/47/1115820447.db2.gz GFTGCUNRAUNKMX-GOSISDBHSA-N 1 0 354.406 4.012 20 5 FIBDRO C[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]2CCCC[C@H]12 ZINC000603846946 1115821109 /nfs/dbraw/zinc/82/11/09/1115821109.db2.gz IEGGASJHZOSEGZ-KBRIMQKVSA-N 1 0 356.426 4.045 20 5 FIBDRO CC[NH+](CC)CCOc1ccccc1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000603857535 1115821732 /nfs/dbraw/zinc/82/17/32/1115821732.db2.gz XHNYPYATOOERBA-UHFFFAOYSA-N 1 0 361.417 4.067 20 5 FIBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2cccnc2[N+](=O)[O-])C1 ZINC000603862333 1115823104 /nfs/dbraw/zinc/82/31/04/1115823104.db2.gz PJRXPSCRBWGQPF-HZPDHXFCSA-N 1 0 354.454 4.080 20 5 FIBDRO Cc1sc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000604028361 1115843570 /nfs/dbraw/zinc/84/35/70/1115843570.db2.gz XPMHWNZWDLNRLC-UHFFFAOYSA-N 1 0 373.478 4.245 20 5 FIBDRO Cc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000604435115 1115865232 /nfs/dbraw/zinc/86/52/32/1115865232.db2.gz XYFLPJHOLFICDB-FQEVSTJZSA-N 1 0 367.449 4.377 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000604434696 1115865429 /nfs/dbraw/zinc/86/54/29/1115865429.db2.gz NINQDXCUUOLXRG-HXUWFJFHSA-N 1 0 367.449 4.241 20 5 FIBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccc1F ZINC000604493305 1115867815 /nfs/dbraw/zinc/86/78/15/1115867815.db2.gz HQJRUYSXSYODRI-UHFFFAOYSA-N 1 0 373.428 4.283 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(c3ccc(Br)cc3)CC2)cc1 ZINC000604538849 1115869450 /nfs/dbraw/zinc/86/94/50/1115869450.db2.gz ULCMHIFGMQCANK-UHFFFAOYSA-N 1 0 361.239 4.179 20 5 FIBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000172149556 1115920785 /nfs/dbraw/zinc/92/07/85/1115920785.db2.gz WRFNXYUEUPTPIA-UHFFFAOYSA-N 1 0 372.396 4.064 20 5 FIBDRO C[NH+](C)CCn1ccc(NC(=O)c2c3ccccc3cc3ccccc32)n1 ZINC000173356331 1116054577 /nfs/dbraw/zinc/05/45/77/1116054577.db2.gz BPHPOOROXUSXOL-UHFFFAOYSA-N 1 0 358.445 4.003 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCN4CCCC[C@H]34)s2)cc1 ZINC000608836011 1116131213 /nfs/dbraw/zinc/13/12/13/1116131213.db2.gz GSGRQPUHVODOTB-ZWKOTPCHSA-N 1 0 357.479 4.040 20 5 FIBDRO C[C@@H]1CCCN(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000608836241 1116131250 /nfs/dbraw/zinc/13/12/50/1116131250.db2.gz RYTWODQWODANIO-OAHLLOKOSA-N 1 0 359.495 4.145 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]CCc3ccc(C)o3)o2)c([N+](=O)[O-])c1 ZINC000608836332 1116131335 /nfs/dbraw/zinc/13/13/35/1116131335.db2.gz JWPWVMNJEAIOLW-UHFFFAOYSA-N 1 0 356.378 4.097 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)C1CC1 ZINC000089667109 1116228689 /nfs/dbraw/zinc/22/86/89/1116228689.db2.gz DEGZDRQDJPQIGI-QGZVFWFLSA-N 1 0 371.506 4.084 20 5 FIBDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000534974871 1116257162 /nfs/dbraw/zinc/25/71/62/1116257162.db2.gz BMNOATHKIPLADZ-LBPRGKRZSA-N 1 0 364.829 4.290 20 5 FIBDRO Cc1cc(C[NH3+])cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 ZINC000457373201 1116270581 /nfs/dbraw/zinc/27/05/81/1116270581.db2.gz LBNMDILLBAERNT-UHFFFAOYSA-N 1 0 359.451 4.115 20 5 FIBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000535416280 1116305449 /nfs/dbraw/zinc/30/54/49/1116305449.db2.gz HLIJOSJCWZQGME-UHFFFAOYSA-N 1 0 369.446 4.432 20 5 FIBDRO CC(C)(C)OC(=O)C1CCC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000539521672 1116337437 /nfs/dbraw/zinc/33/74/37/1116337437.db2.gz FUUWIZWFBGRHOI-SOFGYWHQSA-N 1 0 360.454 4.098 20 5 FIBDRO CC[NH+]1CCN(c2ccc(N[C@H](C)c3cccc([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000539610121 1116352364 /nfs/dbraw/zinc/35/23/64/1116352364.db2.gz QLPMOUKQLCYGIH-QGZVFWFLSA-N 1 0 368.481 4.218 20 5 FIBDRO CCOCc1ccc(C[NH2+][C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 ZINC000152851084 1116355385 /nfs/dbraw/zinc/35/53/85/1116355385.db2.gz XVFYCVHMOZLQDT-OAHLLOKOSA-N 1 0 358.438 4.381 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000539850148 1116390666 /nfs/dbraw/zinc/39/06/66/1116390666.db2.gz DYAQDNLTHLGWBK-QGZVFWFLSA-N 1 0 369.465 4.163 20 5 FIBDRO CC(C)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000539899592 1117741002 /nfs/dbraw/zinc/74/10/02/1117741002.db2.gz GXFLGOZHHPMGPQ-FXAWDEMLSA-N 1 0 357.498 4.167 20 5 FIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000462764308 1117755280 /nfs/dbraw/zinc/75/52/80/1117755280.db2.gz FOIOGHKDLAEYRW-GOSISDBHSA-N 1 0 369.465 4.172 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCC[C@@]2(C)CO)cc1[N+](=O)[O-] ZINC000462757106 1117756717 /nfs/dbraw/zinc/75/67/17/1117756717.db2.gz XNCZPSNIDVJAOV-SFTDATJTSA-N 1 0 369.465 4.003 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000462805712 1117788596 /nfs/dbraw/zinc/78/85/96/1117788596.db2.gz OHTGGFBZKGLEAH-DLBZAZTESA-N 1 0 371.456 4.171 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462852701 1117812578 /nfs/dbraw/zinc/81/25/78/1117812578.db2.gz FGQZIBVTXNTKAP-KOMQPUFPSA-N 1 0 361.239 4.393 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000462847054 1117817564 /nfs/dbraw/zinc/81/75/64/1117817564.db2.gz XWOUWPJPMNDJJW-INMHGKMJSA-N 1 0 350.484 4.013 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(NC(=O)C(C)C)cc1 ZINC000540119756 1117880668 /nfs/dbraw/zinc/88/06/68/1117880668.db2.gz QVGBJDHLWYMMSG-HNNXBMFYSA-N 1 0 355.438 4.349 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)c1nc(-c2ccccc2)no1 ZINC000540154325 1117907987 /nfs/dbraw/zinc/90/79/87/1117907987.db2.gz YRFBMTOIKXBRFO-GJZGRUSLSA-N 1 0 366.421 4.408 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H](O)Cc1ccccc1 ZINC000540154935 1117908048 /nfs/dbraw/zinc/90/80/48/1117908048.db2.gz ASOFKZVJCWUTRP-SUMDDJOVSA-N 1 0 374.506 4.047 20 5 FIBDRO Cc1cnc(NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000463052438 1117941500 /nfs/dbraw/zinc/94/15/00/1117941500.db2.gz HPMPQXVNBISHEP-OAHLLOKOSA-N 1 0 354.454 4.142 20 5 FIBDRO CC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000540324140 1117992157 /nfs/dbraw/zinc/99/21/57/1117992157.db2.gz INTMPFUIRZAJNX-HNNXBMFYSA-N 1 0 361.829 4.236 20 5 FIBDRO COc1cccc([C@@H](C)[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000540332247 1117996353 /nfs/dbraw/zinc/99/63/53/1117996353.db2.gz DRJFNYVFTIPGGR-CQSZACIVSA-N 1 0 367.405 4.152 20 5 FIBDRO CCOc1ccccc1[C@H](CC)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000540353491 1117998945 /nfs/dbraw/zinc/99/89/45/1117998945.db2.gz DLIGMUMLXAFGCI-KSSFIOAISA-N 1 0 371.437 4.061 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000540343053 1118003004 /nfs/dbraw/zinc/00/30/04/1118003004.db2.gz MHOIQOWFCJELTG-LJQANCHMSA-N 1 0 355.438 4.219 20 5 FIBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000540365876 1118016833 /nfs/dbraw/zinc/01/68/33/1118016833.db2.gz KGXHGMBIMRBVED-KRWDZBQOSA-N 1 0 370.840 4.055 20 5 FIBDRO Cc1cccc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1C ZINC000540387033 1118021472 /nfs/dbraw/zinc/02/14/72/1118021472.db2.gz ZRFYBSGBIXJHNH-INIZCTEOSA-N 1 0 355.438 4.199 20 5 FIBDRO Cc1cccc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1C ZINC000540386219 1118021700 /nfs/dbraw/zinc/02/17/00/1118021700.db2.gz PZFFFGMTHXJMPF-INIZCTEOSA-N 1 0 355.438 4.199 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000540411982 1118039305 /nfs/dbraw/zinc/03/93/05/1118039305.db2.gz WKKVCELKHDBMMO-UHFFFAOYSA-N 1 0 361.829 4.020 20 5 FIBDRO CCC[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000540476994 1118078605 /nfs/dbraw/zinc/07/86/05/1118078605.db2.gz GUGPUYXIJUXFQF-VQIMIIECSA-N 1 0 369.465 4.211 20 5 FIBDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2C1 ZINC000076171374 1118133965 /nfs/dbraw/zinc/13/39/65/1118133965.db2.gz QYDBHELHUTWVMW-UHFFFAOYSA-N 1 0 353.422 4.209 20 5 FIBDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000540600078 1118141601 /nfs/dbraw/zinc/14/16/01/1118141601.db2.gz ZZXSAZWIPMYBRD-QGZVFWFLSA-N 1 0 352.818 4.149 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H]3CCCCC34CCCC4)n2)cc1 ZINC000463439168 1118146099 /nfs/dbraw/zinc/14/60/99/1118146099.db2.gz IAZGYUQSOWNCOA-INIZCTEOSA-N 1 0 356.426 4.237 20 5 FIBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000460347664 1118359088 /nfs/dbraw/zinc/35/90/88/1118359088.db2.gz NXCPWYIRKDACMO-WFASDCNBSA-N 1 0 353.850 4.135 20 5 FIBDRO C[NH+](C)C1(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000491315022 1118477754 /nfs/dbraw/zinc/47/77/54/1118477754.db2.gz GRFYTOVMKTZSJW-HXUWFJFHSA-N 1 0 353.466 4.148 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]CC[C@H]3CCO[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000541371765 1118492049 /nfs/dbraw/zinc/49/20/49/1118492049.db2.gz SELUICKDIXYMSM-CABCVRRESA-N 1 0 374.437 4.158 20 5 FIBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000541660319 1118599976 /nfs/dbraw/zinc/59/99/76/1118599976.db2.gz JGAYSNJJQHWTRA-CQSZACIVSA-N 1 0 369.446 4.448 20 5 FIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000464714949 1118662217 /nfs/dbraw/zinc/66/22/17/1118662217.db2.gz SUTWRYZPYWWKFO-UHFFFAOYSA-N 1 0 367.449 4.395 20 5 FIBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])nc3)cc2)C1 ZINC000549915913 1118975846 /nfs/dbraw/zinc/97/58/46/1118975846.db2.gz NBBLKIVDXZYXTC-HOTGVXAUSA-N 1 0 354.454 4.080 20 5 FIBDRO CC(C)[N@H+](C)Cc1cccc(CNCc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000152115154 1119099441 /nfs/dbraw/zinc/09/94/41/1119099441.db2.gz HGPCZIKDXLJIGU-UHFFFAOYSA-N 1 0 361.873 4.378 20 5 FIBDRO CC(C)(C)OC(=O)CCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493225609 1119352318 /nfs/dbraw/zinc/35/23/18/1119352318.db2.gz GQNGUJQJZATJME-HXUWFJFHSA-N 1 0 370.449 4.396 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCOc2cccc3cccnc32)cc1Cl ZINC000761522274 1119409326 /nfs/dbraw/zinc/40/93/26/1119409326.db2.gz WZZAYQYNCHPQDR-UHFFFAOYSA-N 1 0 371.824 4.355 20 5 FIBDRO Cc1cccc(NCC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000493989536 1119519878 /nfs/dbraw/zinc/51/98/78/1119519878.db2.gz LGPXTXPFGHFBFK-NRFANRHFSA-N 1 0 362.433 4.089 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)c2ccccc2)c1 ZINC000494012614 1119524694 /nfs/dbraw/zinc/52/46/94/1119524694.db2.gz QVVBUPUWADBNCL-UYAOXDASSA-N 1 0 352.434 4.376 20 5 FIBDRO CCc1ccc([C@H]([NH2+]C[C@](C)(O)[C@H](C)CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542474532 1119555039 /nfs/dbraw/zinc/55/50/39/1119555039.db2.gz HDMPLMFHQWBJRH-XMCHAPAWSA-N 1 0 360.454 4.226 20 5 FIBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cccc(F)c1 ZINC000609193219 1119839975 /nfs/dbraw/zinc/83/99/75/1119839975.db2.gz CGCNRBJQIAFZIP-UHFFFAOYSA-N 1 0 355.369 4.063 20 5 FIBDRO Cc1cc(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)cc([N+](=O)[O-])c1 ZINC000494443515 1119863032 /nfs/dbraw/zinc/86/30/32/1119863032.db2.gz VBCWRQNNDBFJFK-UHFFFAOYSA-N 1 0 353.422 4.127 20 5 FIBDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CC2 ZINC000494471272 1119872795 /nfs/dbraw/zinc/87/27/95/1119872795.db2.gz MCVDCQKKJMJRNB-QGZVFWFLSA-N 1 0 366.339 4.399 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc(C(F)(F)F)c1 ZINC000494530742 1119895135 /nfs/dbraw/zinc/89/51/35/1119895135.db2.gz XRSXYCMIRRENLQ-RRQGHBQHSA-N 1 0 372.387 4.299 20 5 FIBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(Br)cs1 ZINC000494592654 1119989417 /nfs/dbraw/zinc/98/94/17/1119989417.db2.gz UBPULOJVLPGAGG-JTQLQIEISA-N 1 0 355.257 4.312 20 5 FIBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(Br)cs1 ZINC000494592655 1119989557 /nfs/dbraw/zinc/98/95/57/1119989557.db2.gz UBPULOJVLPGAGG-SNVBAGLBSA-N 1 0 355.257 4.312 20 5 FIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)c1 ZINC000542494230 1120064451 /nfs/dbraw/zinc/06/44/51/1120064451.db2.gz ICPLUWZEZDKQEZ-FQEVSTJZSA-N 1 0 351.381 4.051 20 5 FIBDRO Cc1cc(NC[C@H](O)c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302199727 1120407518 /nfs/dbraw/zinc/40/75/18/1120407518.db2.gz URBMYGAUSAUMAZ-SFHVURJKSA-N 1 0 357.797 4.250 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCCC(F)(F)C2)n1 ZINC000495008955 1120427486 /nfs/dbraw/zinc/42/74/86/1120427486.db2.gz ZAZPXTVRKQRLLM-RRFJBIMHSA-N 1 0 356.417 4.080 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@@H]2CCO)ccc1Oc1ccc(F)cc1 ZINC000495184708 1120531910 /nfs/dbraw/zinc/53/19/10/1120531910.db2.gz PNNFULMNSPVKFZ-QAPCUYQASA-N 1 0 374.412 4.167 20 5 FIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000761968919 1120607965 /nfs/dbraw/zinc/60/79/65/1120607965.db2.gz CYAJJMUROFQCNW-UHFFFAOYSA-N 1 0 358.413 4.041 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)CCC2 ZINC000193323812 1120695798 /nfs/dbraw/zinc/69/57/98/1120695798.db2.gz MAWHOCISOKDYJH-IAOVAPTHSA-N 1 0 372.387 4.045 20 5 FIBDRO O=[N+]([O-])c1ccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c2ccncc21 ZINC000301062124 1120902793 /nfs/dbraw/zinc/90/27/93/1120902793.db2.gz SNDXXVZDMXDZLY-OAQYLSRUSA-N 1 0 362.433 4.392 20 5 FIBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153646864 1121003733 /nfs/dbraw/zinc/00/37/33/1121003733.db2.gz AWVXLDSKFYOCHH-UHFFFAOYSA-N 1 0 370.453 4.019 20 5 FIBDRO C[C@H]1C[C@H]1C[NH+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc([N+](=O)[O-])c1 ZINC000915634967 1121012381 /nfs/dbraw/zinc/01/23/81/1121012381.db2.gz QAVCOHOOLYNRLD-YOEHRIQHSA-N 1 0 355.394 4.161 20 5 FIBDRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000171764900 1121188224 /nfs/dbraw/zinc/18/82/24/1121188224.db2.gz VERXZOOAYADXEG-LLVKDONJSA-N 1 0 374.828 4.401 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488076399 1121408875 /nfs/dbraw/zinc/40/88/75/1121408875.db2.gz MXWSYTOVEQVWRQ-SJORKVTESA-N 1 0 368.481 4.234 20 5 FIBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000916569609 1121549000 /nfs/dbraw/zinc/54/90/00/1121549000.db2.gz OUEPBVQLYSIUML-OAHLLOKOSA-N 1 0 361.829 4.236 20 5 FIBDRO C[C@@](O)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000765815883 1122123338 /nfs/dbraw/zinc/12/33/38/1122123338.db2.gz LMWHCCZQZFETJX-UYAOXDASSA-N 1 0 374.868 4.067 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000153544335 1122123997 /nfs/dbraw/zinc/12/39/97/1122123997.db2.gz MINCFXMVMOBAGO-CQSZACIVSA-N 1 0 372.421 4.006 20 5 FIBDRO CC(=O)c1ccc(NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000301485319 1122168486 /nfs/dbraw/zinc/16/84/86/1122168486.db2.gz WKMAHGHUWYDRII-GOSISDBHSA-N 1 0 361.829 4.166 20 5 FIBDRO Cc1c(C[NH2+]Cc2ccc(COCC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000917136102 1122191826 /nfs/dbraw/zinc/19/18/26/1122191826.db2.gz XWFXCJHLCSBCRE-UHFFFAOYSA-N 1 0 368.355 4.272 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000154294396 1122200499 /nfs/dbraw/zinc/20/04/99/1122200499.db2.gz NDHLNTVRSKBTHL-VCBZYWHSSA-N 1 0 358.438 4.156 20 5 FIBDRO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000917437968 1122304432 /nfs/dbraw/zinc/30/44/32/1122304432.db2.gz QJKYQUMRZDTDIT-HNNXBMFYSA-N 1 0 350.422 4.203 20 5 FIBDRO CC(C)(C)[C@@H]([NH2+]Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000917433066 1122312145 /nfs/dbraw/zinc/31/21/45/1122312145.db2.gz VGVNEIMEXDDWJP-SFHVURJKSA-N 1 0 365.437 4.188 20 5 FIBDRO CC(C)c1ccc(C(C)(C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000609358810 1123689777 /nfs/dbraw/zinc/68/97/77/1123689777.db2.gz ZWIGCDVICCYKOF-UHFFFAOYSA-N 1 0 355.438 4.182 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(c3cccc(Br)c3)CC2)c1 ZINC000609677596 1123794261 /nfs/dbraw/zinc/79/42/61/1123794261.db2.gz NLMMHZVMVXGELU-UHFFFAOYSA-N 1 0 361.239 4.179 20 5 FIBDRO CC1CC[NH+](C[C@@H]2CCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000609709265 1123804819 /nfs/dbraw/zinc/80/48/19/1123804819.db2.gz NPMZLIKXRCOSKO-INIZCTEOSA-N 1 0 365.905 4.192 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2(c3cccc(F)c3)CC2)c1 ZINC000610089367 1123936945 /nfs/dbraw/zinc/93/69/45/1123936945.db2.gz RWVPHJHUJUFJBG-UHFFFAOYSA-N 1 0 366.339 4.157 20 5 FIBDRO CCC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000610133380 1123949951 /nfs/dbraw/zinc/94/99/51/1123949951.db2.gz LSIDWHKNGZJGKI-OIISXLGYSA-N 1 0 352.862 4.274 20 5 FIBDRO C[C@H]([NH2+]C1(CNc2ccc(F)cc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000301248788 1123961510 /nfs/dbraw/zinc/96/15/10/1123961510.db2.gz CJAXINBSIKRSFY-HNNXBMFYSA-N 1 0 373.428 4.046 20 5 FIBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[N@H+](C)Cc1ccccc1 ZINC000301246341 1123961794 /nfs/dbraw/zinc/96/17/94/1123961794.db2.gz LFVYSDUIBJMTAW-HNNXBMFYSA-N 1 0 350.422 4.075 20 5 FIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000237832623 1124117381 /nfs/dbraw/zinc/11/73/81/1124117381.db2.gz VXXGUVVJZLFHII-IBGZPJMESA-N 1 0 374.824 4.260 20 5 FIBDRO CC(C)[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccnn1C ZINC000615943146 1124171338 /nfs/dbraw/zinc/17/13/38/1124171338.db2.gz GFNOVBDVYAACEJ-SFHVURJKSA-N 1 0 368.437 4.118 20 5 FIBDRO Cc1cccc(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000237938729 1124181451 /nfs/dbraw/zinc/18/14/51/1124181451.db2.gz VQKQNBFQDLXGGJ-UHFFFAOYSA-N 1 0 353.447 4.359 20 5 FIBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)[NH+](C)C)cc1 ZINC000462374409 1124185887 /nfs/dbraw/zinc/18/58/87/1124185887.db2.gz GREMIBOSCGXQEO-MRXNPFEDSA-N 1 0 365.380 4.219 20 5 FIBDRO Cc1c(C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)cccc1[N+](=O)[O-] ZINC000616483595 1124320192 /nfs/dbraw/zinc/32/01/92/1124320192.db2.gz NKJMACNJJFXKTE-UHFFFAOYSA-N 1 0 370.840 4.091 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000765879138 1124322436 /nfs/dbraw/zinc/32/24/36/1124322436.db2.gz JGWHVQKPYNQKEL-BTYIYWSLSA-N 1 0 350.418 4.441 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000554311442 1124326476 /nfs/dbraw/zinc/32/64/76/1124326476.db2.gz ZXRCIOUFDFNNGN-GOSISDBHSA-N 1 0 373.478 4.376 20 5 FIBDRO CC[C@@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCOC1 ZINC000616487703 1124333877 /nfs/dbraw/zinc/33/38/77/1124333877.db2.gz HCYZKXJMBDIUCH-QGZVFWFLSA-N 1 0 350.802 4.167 20 5 FIBDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000542820451 1124390912 /nfs/dbraw/zinc/39/09/12/1124390912.db2.gz ZLENPFJIWVCIMF-GDBMZVCRSA-N 1 0 374.412 4.119 20 5 FIBDRO C[NH+](C)C1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000091671076 1124732029 /nfs/dbraw/zinc/73/20/29/1124732029.db2.gz SHECUPSERHCLMJ-UHFFFAOYSA-N 1 0 373.428 4.052 20 5 FIBDRO CC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001168675923 1124750065 /nfs/dbraw/zinc/75/00/65/1124750065.db2.gz HGAGQUAFXNBVLW-INIZCTEOSA-N 1 0 364.829 4.377 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000489005477 1125056358 /nfs/dbraw/zinc/05/63/58/1125056358.db2.gz QEOZCDAWNYDGBM-GOEBONIOSA-N 1 0 359.401 4.042 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCc4cc(O)ccc4C3)o2)c1 ZINC000618197834 1125111774 /nfs/dbraw/zinc/11/17/74/1125111774.db2.gz FZEYJUDDBSKIIY-QGZVFWFLSA-N 1 0 364.401 4.208 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC(C)C)c2)cc1[N+](=O)[O-] ZINC000181813358 1125143714 /nfs/dbraw/zinc/14/37/14/1125143714.db2.gz YXMBEHISBCLAAT-MRXNPFEDSA-N 1 0 369.465 4.140 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000181816849 1125143907 /nfs/dbraw/zinc/14/39/07/1125143907.db2.gz JOPKENSFALDMQP-HNNXBMFYSA-N 1 0 355.438 4.316 20 5 FIBDRO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000077421068 1125197835 /nfs/dbraw/zinc/19/78/35/1125197835.db2.gz RTRATGUHENWNFE-OLZOCXBDSA-N 1 0 364.829 4.147 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000063484731 212032162 /nfs/dbraw/zinc/03/21/62/212032162.db2.gz XTTAMLXZNGPOCJ-LJQANCHMSA-N 1 0 371.412 4.208 20 5 FIBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541787031 567822376 /nfs/dbraw/zinc/82/23/76/567822376.db2.gz KXWONQJVENUWHF-UHFFFAOYSA-N 1 0 372.400 4.016 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000481388967 567876578 /nfs/dbraw/zinc/87/65/78/567876578.db2.gz GELRSEWBLXDTMW-SGTLLEGYSA-N 1 0 364.829 4.123 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000481388963 567881666 /nfs/dbraw/zinc/88/16/66/567881666.db2.gz GELRSEWBLXDTMW-KPZWWZAWSA-N 1 0 364.829 4.123 20 5 FIBDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000481426822 567923172 /nfs/dbraw/zinc/92/31/72/567923172.db2.gz OIGNLSUBJMVNDS-APPDUMDISA-N 1 0 352.793 4.253 20 5 FIBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1C)[NH+](C)C ZINC000481434951 567941850 /nfs/dbraw/zinc/94/18/50/567941850.db2.gz CGWCWXXOJRQIGE-BEFAXECRSA-N 1 0 370.453 4.025 20 5 FIBDRO CCC[C@@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000481536085 568029050 /nfs/dbraw/zinc/02/90/50/568029050.db2.gz QPERBLQMEBQZHU-WOJBJXKFSA-N 1 0 369.465 4.245 20 5 FIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000128584120 568060721 /nfs/dbraw/zinc/06/07/21/568060721.db2.gz YBGUDKRCHSTKGV-UHFFFAOYSA-N 1 0 373.840 4.405 20 5 FIBDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000481666536 568083511 /nfs/dbraw/zinc/08/35/11/568083511.db2.gz IZGSWXRRVCYILE-CYBMUJFWSA-N 1 0 352.356 4.377 20 5 FIBDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568651203 568106960 /nfs/dbraw/zinc/10/69/60/568106960.db2.gz OEOXDFHCEKSKNV-YLJYHZDGSA-N 1 0 354.450 4.210 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCc3sc(Cl)cc32)n1 ZINC000568757854 568181871 /nfs/dbraw/zinc/18/18/71/568181871.db2.gz HNHAGFIDWRJBOL-JHJVBQTASA-N 1 0 366.874 4.267 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cc(-c2ccccc2)on1)C1CC1 ZINC000482011844 568226867 /nfs/dbraw/zinc/22/68/67/568226867.db2.gz FARKVCHFIULHEV-LJQANCHMSA-N 1 0 363.417 4.361 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000569133829 568286819 /nfs/dbraw/zinc/28/68/19/568286819.db2.gz PQQJOXCYBSAJCX-SCZPIIQISA-N 1 0 360.841 4.017 20 5 FIBDRO Cc1cc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc2ccc([N+](=O)[O-])cc12 ZINC001165048925 721967770 /nfs/dbraw/zinc/96/77/70/721967770.db2.gz PQMRBPIDUYIOBE-KRWDZBQOSA-N 1 0 368.481 4.296 20 5 FIBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000312778835 1125488225 /nfs/dbraw/zinc/48/82/25/1125488225.db2.gz YRDFBCCANIHKPO-GOSISDBHSA-N 1 0 371.456 4.126 20 5 FIBDRO C[N@H+](CCc1cccs1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093685319 1125491497 /nfs/dbraw/zinc/49/14/97/1125491497.db2.gz FXUAMKIVDUZPDO-UHFFFAOYSA-N 1 0 359.476 4.454 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c(Cl)c1 ZINC000182458584 1125505361 /nfs/dbraw/zinc/50/53/61/1125505361.db2.gz WTNUOZCYMAEMHS-IBGZPJMESA-N 1 0 374.824 4.260 20 5 FIBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)c1ccco1 ZINC000078613030 1125577650 /nfs/dbraw/zinc/57/76/50/1125577650.db2.gz DJTRHHCQGGDXGG-QGZVFWFLSA-N 1 0 354.410 4.231 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000619531350 1125609302 /nfs/dbraw/zinc/60/93/02/1125609302.db2.gz QXDJHPDPOREKCC-WIYYLYMNSA-N 1 0 370.449 4.203 20 5 FIBDRO C[C@@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000182804613 1125629297 /nfs/dbraw/zinc/62/92/97/1125629297.db2.gz VHZFQPSFRMOEEI-OAHLLOKOSA-N 1 0 357.479 4.317 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000619722720 1125668495 /nfs/dbraw/zinc/66/84/95/1125668495.db2.gz VDNJIQDJAWWSSA-DLBZAZTESA-N 1 0 368.481 4.377 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c(Cl)c1 ZINC000619722733 1125668594 /nfs/dbraw/zinc/66/85/94/1125668594.db2.gz XFYXHOMCMVMHOK-OAHLLOKOSA-N 1 0 374.872 4.161 20 5 FIBDRO C[NH+](C)C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000619799217 1125703730 /nfs/dbraw/zinc/70/37/30/1125703730.db2.gz VFKNYZWAMWRUGJ-QGZVFWFLSA-N 1 0 368.264 4.294 20 5 FIBDRO CC(=O)c1ccc(N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000557753132 1079632321 /nfs/dbraw/zinc/63/23/21/1079632321.db2.gz SUZHJYMIRLZLOH-VBKZILBWSA-N 1 0 355.438 4.209 20 5 FIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001203150671 1079700641 /nfs/dbraw/zinc/70/06/41/1079700641.db2.gz NDEXPFJONOUAOF-UHFFFAOYSA-N 1 0 374.485 4.130 20 5 FIBDRO O=C(CC[N@H+](Cc1ccc(Cl)cc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC001167064999 1079908053 /nfs/dbraw/zinc/90/80/53/1079908053.db2.gz ZYTGDUCHMFBJRA-UHFFFAOYSA-N 1 0 373.840 4.241 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000430210357 1079963699 /nfs/dbraw/zinc/96/36/99/1079963699.db2.gz CZQNJDISMMLWQC-NSHDSACASA-N 1 0 370.327 4.353 20 5 FIBDRO CC[C@@H](C)[N@H+](CCc1ccccc1F)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001167244067 1080901814 /nfs/dbraw/zinc/90/18/14/1080901814.db2.gz FJYIHZFTANGGGT-FOIQADDNSA-N 1 0 360.429 4.111 20 5 FIBDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)ccc2NC1=O ZINC000247205868 1080966972 /nfs/dbraw/zinc/96/69/72/1080966972.db2.gz XMKLDSSLWZFOBA-VBHSOAQHSA-N 1 0 369.421 4.116 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000610271094 1080995704 /nfs/dbraw/zinc/99/57/04/1080995704.db2.gz ZIBXJTYKFOAQPF-LPHOPBHVSA-N 1 0 369.465 4.003 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CC2CC2)c2ccccc2)c2c(c1)COCO2 ZINC000610271338 1080999364 /nfs/dbraw/zinc/99/93/64/1080999364.db2.gz GSMAXGNOZHSGFC-IBGZPJMESA-N 1 0 354.406 4.092 20 5 FIBDRO CC(C)(CCc1ccccc1)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000177187964 1081195307 /nfs/dbraw/zinc/19/53/07/1081195307.db2.gz PXACNBMSNZQIMI-UHFFFAOYSA-N 1 0 366.421 4.146 20 5 FIBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000177553576 1081225493 /nfs/dbraw/zinc/22/54/93/1081225493.db2.gz WEYBDJZPNIWVDQ-KDOFPFPSSA-N 1 0 364.405 4.023 20 5 FIBDRO CCc1ccc(C(C)(C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000177597898 1081232946 /nfs/dbraw/zinc/23/29/46/1081232946.db2.gz WARNRIWIIONKND-UHFFFAOYSA-N 1 0 356.422 4.049 20 5 FIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2sccc21 ZINC000468044259 1081403036 /nfs/dbraw/zinc/40/30/36/1081403036.db2.gz FRLIEMGPUUAOFX-MLGOLLRUSA-N 1 0 359.451 4.041 20 5 FIBDRO C[C@@H](Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000610341836 1081496851 /nfs/dbraw/zinc/49/68/51/1081496851.db2.gz ZVFIUQSXEUMDRN-MRXNPFEDSA-N 1 0 371.506 4.359 20 5 FIBDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083199349 1081547764 /nfs/dbraw/zinc/54/77/64/1081547764.db2.gz JVORSEZERNLEFY-GXTWGEPZSA-N 1 0 355.369 4.253 20 5 FIBDRO CSc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000610371183 1081554734 /nfs/dbraw/zinc/55/47/34/1081554734.db2.gz HOAYFDBYYVEAGY-UHFFFAOYSA-N 1 0 358.463 4.360 20 5 FIBDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001167406750 1081963204 /nfs/dbraw/zinc/96/32/04/1081963204.db2.gz VLKYRXGSBGYNCV-AWEZNQCLSA-N 1 0 364.833 4.309 20 5 FIBDRO CC(C)C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000580676627 1082076028 /nfs/dbraw/zinc/07/60/28/1082076028.db2.gz BREVBQXJFBJRJK-HNNXBMFYSA-N 1 0 361.467 4.362 20 5 FIBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1C[C@@H](OCC)C1(C)C ZINC001167446674 1082319865 /nfs/dbraw/zinc/31/98/65/1082319865.db2.gz BZYNZUXGVNVJMS-ZWKOTPCHSA-N 1 0 350.459 4.019 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000177938474 1082352386 /nfs/dbraw/zinc/35/23/86/1082352386.db2.gz PONYFEHYAQYRQN-LHSJRXKWSA-N 1 0 368.433 4.476 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000134497815 1082609830 /nfs/dbraw/zinc/60/98/30/1082609830.db2.gz CLAXZGSDHZBUBQ-CQSZACIVSA-N 1 0 374.412 4.431 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000537944525 1082621585 /nfs/dbraw/zinc/62/15/85/1082621585.db2.gz DXPLZLMKDASHKT-DHSIGJKJSA-N 1 0 350.459 4.238 20 5 FIBDRO COCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000610538815 1082909359 /nfs/dbraw/zinc/90/93/59/1082909359.db2.gz YCTOFXVKWQKYGT-HUUCEWRRSA-N 1 0 374.437 4.040 20 5 FIBDRO CO[C@H]1CC[C@H]([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000471827002 1083072379 /nfs/dbraw/zinc/07/23/79/1083072379.db2.gz XPDYUVWCPOTHGC-WMZOPIPTSA-N 1 0 355.438 4.020 20 5 FIBDRO CCC[C@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178323978 1083181545 /nfs/dbraw/zinc/18/15/45/1083181545.db2.gz KAQJTCIKWVIXDV-YWZLYKJASA-N 1 0 365.437 4.368 20 5 FIBDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000610664593 1083303171 /nfs/dbraw/zinc/30/31/71/1083303171.db2.gz NWOOCQQMUGHVEB-UHFFFAOYSA-N 1 0 355.438 4.306 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](c3ccc(Cl)cc3)C3CC3)nc2c1 ZINC000510783311 1083311834 /nfs/dbraw/zinc/31/18/34/1083311834.db2.gz YVMIHYAQBMJNAJ-GOSISDBHSA-N 1 0 356.813 4.365 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC([C@H]4CCCO4)CC3)o2)c1 ZINC000188244633 1083390144 /nfs/dbraw/zinc/39/01/44/1083390144.db2.gz ZZFGYZZNDDIBIG-LJQANCHMSA-N 1 0 356.422 4.246 20 5 FIBDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)s1 ZINC000179372292 1083394518 /nfs/dbraw/zinc/39/45/18/1083394518.db2.gz OIZNCHTWTHESQN-OLZOCXBDSA-N 1 0 361.467 4.259 20 5 FIBDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000179503848 1083512459 /nfs/dbraw/zinc/51/24/59/1083512459.db2.gz HNVZSXZQNLMWTL-IAGOWNOFSA-N 1 0 352.793 4.162 20 5 FIBDRO CCOc1ccccc1[C@@H](CC)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179755399 1083616674 /nfs/dbraw/zinc/61/66/74/1083616674.db2.gz SCSCNJKFLLRXOG-MRXNPFEDSA-N 1 0 371.437 4.063 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccccc1C ZINC000535777044 1083651795 /nfs/dbraw/zinc/65/17/95/1083651795.db2.gz IKQFSXSYSBZZPB-RDJZCZTQSA-N 1 0 360.479 4.097 20 5 FIBDRO CCCO[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000364529492 1083664935 /nfs/dbraw/zinc/66/49/35/1083664935.db2.gz PKLPVYJSMZWINS-SFHVURJKSA-N 1 0 373.453 4.073 20 5 FIBDRO CC(C)[NH2+]C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000179834250 1083699323 /nfs/dbraw/zinc/69/93/23/1083699323.db2.gz VSYPBQWUNPRHHO-UHFFFAOYSA-N 1 0 359.495 4.286 20 5 FIBDRO Cc1noc(C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c2ccccc2)n1 ZINC000277000612 1083705193 /nfs/dbraw/zinc/70/51/93/1083705193.db2.gz AGXOWVNYRJBGIC-KBXCAEBGSA-N 1 0 366.421 4.229 20 5 FIBDRO C[C@@H](N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000610809708 1083718982 /nfs/dbraw/zinc/71/89/82/1083718982.db2.gz PVVYUSJOUKHGOU-UTKZUKDTSA-N 1 0 353.466 4.473 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](Cc2nccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000610827833 1083743283 /nfs/dbraw/zinc/74/32/83/1083743283.db2.gz CSZYGYBBVZHJNN-APWZRJJASA-N 1 0 364.449 4.271 20 5 FIBDRO CC[C@@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610821878 1083749153 /nfs/dbraw/zinc/74/91/53/1083749153.db2.gz HIAKMTUZXDDBKP-WOJBJXKFSA-N 1 0 350.422 4.274 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(OC)ccc3C2)cc1[N+](=O)[O-] ZINC000612419806 1083786159 /nfs/dbraw/zinc/78/61/59/1083786159.db2.gz UMGMUDNJOOJFIZ-RDTXWAMCSA-N 1 0 370.449 4.210 20 5 FIBDRO Cc1ccc(-c2cc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)on2)cc1 ZINC000548934617 1083848214 /nfs/dbraw/zinc/84/82/14/1083848214.db2.gz MFLDBKVLCGCNHM-UHFFFAOYSA-N 1 0 351.406 4.233 20 5 FIBDRO CC(C)(CO)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000610916152 1083849164 /nfs/dbraw/zinc/84/91/64/1083849164.db2.gz GNGBLPWMVBWBCR-UHFFFAOYSA-N 1 0 364.829 4.149 20 5 FIBDRO Cn1cc(C[N@H+](C)[C@@H]2CCc3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179905906 1083869563 /nfs/dbraw/zinc/86/95/63/1083869563.db2.gz FRDDNKKHNMYOGK-HXUWFJFHSA-N 1 0 362.433 4.115 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCOC4(CCCC4)C3)o2)c1 ZINC000136702555 1083892105 /nfs/dbraw/zinc/89/21/05/1083892105.db2.gz AAKNFVBBGMXZJS-MRXNPFEDSA-N 1 0 356.422 4.436 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3(Cc4ccccc4)CCCC3)nc2c1 ZINC000612536107 1083892709 /nfs/dbraw/zinc/89/27/09/1083892709.db2.gz IAVOEAUXCOQXRS-UHFFFAOYSA-N 1 0 351.406 4.381 20 5 FIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000177451350 1083970666 /nfs/dbraw/zinc/97/06/66/1083970666.db2.gz PDBHFLMGZDKSQM-WMZOPIPTSA-N 1 0 362.401 4.195 20 5 FIBDRO CCC1CCC(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000611560639 1084089964 /nfs/dbraw/zinc/08/99/64/1084089964.db2.gz JKVPXLXBJPLWDT-LADRWXRNSA-N 1 0 356.470 4.224 20 5 FIBDRO COc1ccccc1[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)OC(C)C ZINC000472050472 1084178756 /nfs/dbraw/zinc/17/87/56/1084178756.db2.gz ZFEXACSUXXFJLN-HXUWFJFHSA-N 1 0 358.438 4.168 20 5 FIBDRO COc1ccccc1[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)OC(C)C ZINC000472056496 1084204398 /nfs/dbraw/zinc/20/43/98/1084204398.db2.gz WFROWFAFNLVCEW-HXUWFJFHSA-N 1 0 358.438 4.168 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000156752368 1084229607 /nfs/dbraw/zinc/22/96/07/1084229607.db2.gz DLWJLFYCLRVPFD-GJZGRUSLSA-N 1 0 353.422 4.133 20 5 FIBDRO CCc1nc2cc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)ccc2n1C1CC1 ZINC000548979560 1084293138 /nfs/dbraw/zinc/29/31/38/1084293138.db2.gz WAIPBQCGYHDNIK-UHFFFAOYSA-N 1 0 350.422 4.132 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000539058255 1084299620 /nfs/dbraw/zinc/29/96/20/1084299620.db2.gz PUHXCPVOKXTAAU-UQPPLGOBSA-N 1 0 362.470 4.454 20 5 FIBDRO CC(C)c1ccc(C[NH2+]C[C@H](CO)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000580974563 1084497180 /nfs/dbraw/zinc/49/71/80/1084497180.db2.gz KNTCEURIAIYQPX-OAHLLOKOSA-N 1 0 362.857 4.237 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000539317391 1084512125 /nfs/dbraw/zinc/51/21/25/1084512125.db2.gz YDNYDSDWOOUCSQ-UHFFFAOYSA-N 1 0 361.829 4.020 20 5 FIBDRO COc1cc(OC)cc(OCCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000540221995 1084747747 /nfs/dbraw/zinc/74/77/47/1084747747.db2.gz LBDAXQJXNZPDQE-HNNXBMFYSA-N 1 0 374.437 4.040 20 5 FIBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1OC ZINC000582564218 1084759325 /nfs/dbraw/zinc/75/93/25/1084759325.db2.gz NWTNCBNMWPSWNU-LBPRGKRZSA-N 1 0 364.829 4.425 20 5 FIBDRO COc1cc(C[N@H+](C(C)C)C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180190782 1084847317 /nfs/dbraw/zinc/84/73/17/1084847317.db2.gz KMTFNQSLJKXKTN-UHFFFAOYSA-N 1 0 358.385 4.010 20 5 FIBDRO COc1cc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1Cl ZINC000582308841 1084853303 /nfs/dbraw/zinc/85/33/03/1084853303.db2.gz ZIVMCVDURZQOFO-SFHVURJKSA-N 1 0 374.868 4.410 20 5 FIBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000178564382 1084935586 /nfs/dbraw/zinc/93/55/86/1084935586.db2.gz HXMZAGPUIWJCNL-MGPLVRAMSA-N 1 0 355.221 4.286 20 5 FIBDRO CC1(C)C[C@H]([NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000582390259 1084946042 /nfs/dbraw/zinc/94/60/42/1084946042.db2.gz ZMKYBCBOMWJHDO-RZUBCFFCSA-N 1 0 366.461 4.073 20 5 FIBDRO C[C@@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000479561514 1085209386 /nfs/dbraw/zinc/20/93/86/1085209386.db2.gz VJKSHQUHESUIGM-CYBMUJFWSA-N 1 0 368.355 4.429 20 5 FIBDRO CC(C)(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(F)c1 ZINC000178615013 1085234873 /nfs/dbraw/zinc/23/48/73/1085234873.db2.gz ZZEKIGDOCPNMGC-LJQANCHMSA-N 1 0 374.412 4.477 20 5 FIBDRO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000375721259 1085251104 /nfs/dbraw/zinc/25/11/04/1085251104.db2.gz VILOGVOMVQCCPG-VQTJNVASSA-N 1 0 365.433 4.060 20 5 FIBDRO CCC[C@H]([NH2+]CCc1ccc(OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000479748736 1085273947 /nfs/dbraw/zinc/27/39/47/1085273947.db2.gz DSNCZOBNWRFUBK-SFHVURJKSA-N 1 0 358.438 4.286 20 5 FIBDRO CCC[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000479871013 1085326429 /nfs/dbraw/zinc/32/64/29/1085326429.db2.gz FAQLRCYVSIXZCG-RTBURBONSA-N 1 0 357.454 4.456 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000582695481 1085405530 /nfs/dbraw/zinc/40/55/30/1085405530.db2.gz RFNBKMLBNZNABJ-QUCCMNQESA-N 1 0 356.422 4.003 20 5 FIBDRO COc1cccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 ZINC000549535317 1085439266 /nfs/dbraw/zinc/43/92/66/1085439266.db2.gz BBSFRFVJINTFSD-NSHDSACASA-N 1 0 354.328 4.473 20 5 FIBDRO CC(C)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cccnc1 ZINC000093223765 1085448067 /nfs/dbraw/zinc/44/80/67/1085448067.db2.gz GLWAGQGUXZGLHL-UHFFFAOYSA-N 1 0 366.421 4.098 20 5 FIBDRO CCC1(O)CCC([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000611520668 1085455690 /nfs/dbraw/zinc/45/56/90/1085455690.db2.gz NRDHZHOVAIEPPD-CKHPTIKVSA-N 1 0 354.450 4.358 20 5 FIBDRO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)Cc1ccsc1 ZINC000187796311 1085538003 /nfs/dbraw/zinc/53/80/03/1085538003.db2.gz FNLPERGPXVCHFV-CYBMUJFWSA-N 1 0 372.450 4.159 20 5 FIBDRO COc1ccc2[nH]cc(C3CC[NH+](Cc4ccccc4[N+](=O)[O-])CC3)c2c1 ZINC000108971896 1085575371 /nfs/dbraw/zinc/57/53/71/1085575371.db2.gz BTNIBOFSDKALSE-UHFFFAOYSA-N 1 0 365.433 4.464 20 5 FIBDRO C[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178651806 1085584947 /nfs/dbraw/zinc/58/49/47/1085584947.db2.gz FWVYRNZLRBPSEC-HZPDHXFCSA-N 1 0 359.495 4.219 20 5 FIBDRO COc1ccc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000178652644 1085596154 /nfs/dbraw/zinc/59/61/54/1085596154.db2.gz NQCSYOTUFVUHRD-GFCCVEGCSA-N 1 0 366.364 4.098 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000104705414 1085813148 /nfs/dbraw/zinc/81/31/48/1085813148.db2.gz KIVAQCCPCQGQSS-HXUWFJFHSA-N 1 0 371.412 4.112 20 5 FIBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001167625867 1085813347 /nfs/dbraw/zinc/81/33/47/1085813347.db2.gz QMYCJIGPGGHTQW-UHFFFAOYSA-N 1 0 354.454 4.142 20 5 FIBDRO Cc1c([C@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000178695851 1085863853 /nfs/dbraw/zinc/86/38/53/1085863853.db2.gz WAVUJXKSZQYDKW-LBPRGKRZSA-N 1 0 362.813 4.179 20 5 FIBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000612469227 1085871977 /nfs/dbraw/zinc/87/19/77/1085871977.db2.gz DEARTHVLRAEDDP-MRXNPFEDSA-N 1 0 357.385 4.232 20 5 FIBDRO CCCCO[C@H]1C[C@@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000572886562 1085899140 /nfs/dbraw/zinc/89/91/40/1085899140.db2.gz UJUFAEDDCSPJEV-MSOLQXFVSA-N 1 0 373.453 4.323 20 5 FIBDRO COc1ccc2oc([C@@H](C)[NH2+]CCOc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000541654096 1085915715 /nfs/dbraw/zinc/91/57/15/1085915715.db2.gz APGDBPZUKGDDLM-CQSZACIVSA-N 1 0 370.405 4.388 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000583153322 1086308239 /nfs/dbraw/zinc/30/82/39/1086308239.db2.gz LGQBVXVJZFGQOH-MRXNPFEDSA-N 1 0 366.339 4.313 20 5 FIBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662596733 1086500658 /nfs/dbraw/zinc/50/06/58/1086500658.db2.gz IWXCQQQDHCMPMQ-IBGZPJMESA-N 1 0 373.500 4.240 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCc3c2cccc3O)o1 ZINC000105486607 1086559909 /nfs/dbraw/zinc/55/99/09/1086559909.db2.gz SAIPULXPNADYRV-QGZVFWFLSA-N 1 0 350.374 4.338 20 5 FIBDRO COC1CC[NH+](C2(CNc3c(Cl)cccc3[N+](=O)[O-])CCCC2)CC1 ZINC000432329165 1086596422 /nfs/dbraw/zinc/59/64/22/1086596422.db2.gz YUOKEUZHRZTICX-UHFFFAOYSA-N 1 0 367.877 4.084 20 5 FIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2sccc2c1 ZINC000583606922 1086857556 /nfs/dbraw/zinc/85/75/56/1086857556.db2.gz WLHQGSKYKRGAGC-CYBMUJFWSA-N 1 0 369.446 4.316 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H](CC(F)(F)F)C3)o2)c1 ZINC000278564206 1087097959 /nfs/dbraw/zinc/09/79/59/1087097959.db2.gz BQGIICUCDMDCCN-LBPRGKRZSA-N 1 0 369.343 4.067 20 5 FIBDRO CCOCc1ccccc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480270516 1087322798 /nfs/dbraw/zinc/32/27/98/1087322798.db2.gz ZVDPHOSYQRZIDQ-FQEVSTJZSA-N 1 0 354.450 4.242 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@](C)(Cc1ccccc1)[C@@H](C)O ZINC000480481582 1087514253 /nfs/dbraw/zinc/51/42/53/1087514253.db2.gz WCWHNEQNRMEBLL-IYQILZRWSA-N 1 0 368.477 4.218 20 5 FIBDRO CC[C@H]1c2ccsc2CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120437213 1087604903 /nfs/dbraw/zinc/60/49/03/1087604903.db2.gz KKWCCGICQOVQQS-HNNXBMFYSA-N 1 0 370.434 4.216 20 5 FIBDRO C[C@H](NCc1csc(Cc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000180404300 1087897736 /nfs/dbraw/zinc/89/77/36/1087897736.db2.gz WBADYTNFESINJQ-AWEZNQCLSA-N 1 0 353.447 4.493 20 5 FIBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1n1ccnc1 ZINC000180611044 1087980531 /nfs/dbraw/zinc/98/05/31/1087980531.db2.gz JBWQQRWQPNIUJO-KXBFYZLASA-N 1 0 366.421 4.134 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CC2(c3ccccc3OC)CC2)cc1[N+](=O)[O-] ZINC000504912648 1087981543 /nfs/dbraw/zinc/98/15/43/1087981543.db2.gz YXWBWSHCNZLJDM-HNNXBMFYSA-N 1 0 370.449 4.385 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000504927866 1087994771 /nfs/dbraw/zinc/99/47/71/1087994771.db2.gz VQVSDEXVSXZEOO-DTTOXWODSA-N 1 0 364.511 4.259 20 5 FIBDRO CC[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000181011949 1088220448 /nfs/dbraw/zinc/22/04/48/1088220448.db2.gz JIDWIKOIICXDEC-MRXNPFEDSA-N 1 0 368.462 4.397 20 5 FIBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000177553547 1088361227 /nfs/dbraw/zinc/36/12/27/1088361227.db2.gz WEYBDJZPNIWVDQ-RDTXWAMCSA-N 1 0 364.405 4.023 20 5 FIBDRO CC(C)c1ccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000189471958 1088483685 /nfs/dbraw/zinc/48/36/85/1088483685.db2.gz WTMVRFNATKVVEN-UHFFFAOYSA-N 1 0 373.419 4.082 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000178652767 1088657644 /nfs/dbraw/zinc/65/76/44/1088657644.db2.gz LEQYYBSPXVZBOX-NSHDSACASA-N 1 0 365.227 4.217 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)s1 ZINC000514077748 1088713491 /nfs/dbraw/zinc/71/34/91/1088713491.db2.gz YRRXPVYXUSOXAZ-LZQZEXGQSA-N 1 0 370.474 4.371 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000414550356 1088823482 /nfs/dbraw/zinc/82/34/82/1088823482.db2.gz IUDPPKPYWQUGPR-FQEVSTJZSA-N 1 0 352.434 4.257 20 5 FIBDRO CC1(C)C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c2cc(N)ccc2O1 ZINC000415022175 1089060938 /nfs/dbraw/zinc/06/09/38/1089060938.db2.gz BVDBTNKYJNQQDF-UABRLCRWSA-N 1 0 353.422 4.082 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000415038751 1089075804 /nfs/dbraw/zinc/07/58/04/1089075804.db2.gz QDRLHNSTVHGRIO-KSSFIOAISA-N 1 0 369.465 4.390 20 5 FIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000549169448 1089105172 /nfs/dbraw/zinc/10/51/72/1089105172.db2.gz UZXLGYPVRXUEGO-HNNXBMFYSA-N 1 0 358.360 4.028 20 5 FIBDRO CCC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000505605091 1089295709 /nfs/dbraw/zinc/29/57/09/1089295709.db2.gz GBEPJABVBGSAMB-UHFFFAOYSA-N 1 0 364.449 4.408 20 5 FIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC(c2ccccc2)C1 ZINC000549235876 1089316542 /nfs/dbraw/zinc/31/65/42/1089316542.db2.gz PVQJYBFJEHTUKI-HJOIGYKYSA-N 1 0 367.449 4.095 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)c1 ZINC000435781281 1089944753 /nfs/dbraw/zinc/94/47/53/1089944753.db2.gz IRKMJPNOAJCEEA-AULYBMBSSA-N 1 0 366.339 4.371 20 5 FIBDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072605906 1090269562 /nfs/dbraw/zinc/26/95/62/1090269562.db2.gz DRRWMGOQWBSXMT-JKSUJKDBSA-N 1 0 358.442 4.339 20 5 FIBDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000120225147 1090291678 /nfs/dbraw/zinc/29/16/78/1090291678.db2.gz STHHRROBBKGCHL-HNNXBMFYSA-N 1 0 364.449 4.307 20 5 FIBDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000104701030 1090310121 /nfs/dbraw/zinc/31/01/21/1090310121.db2.gz RULFIVAEBHFLIW-IFXJQAMLSA-N 1 0 353.422 4.053 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000378391446 1090342258 /nfs/dbraw/zinc/34/22/58/1090342258.db2.gz DJJHQFADEZRTAJ-KLHJMIIUSA-N 1 0 370.449 4.422 20 5 FIBDRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000190591749 1090402781 /nfs/dbraw/zinc/40/27/81/1090402781.db2.gz NCSHOMMATJLURT-AWEZNQCLSA-N 1 0 373.428 4.318 20 5 FIBDRO CCOCCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236846291 1090520864 /nfs/dbraw/zinc/52/08/64/1090520864.db2.gz PUZYSIGVWOBXBF-UHFFFAOYSA-N 1 0 352.818 4.415 20 5 FIBDRO CCCCn1cc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c(C)n1 ZINC000417303295 1090793115 /nfs/dbraw/zinc/79/31/15/1090793115.db2.gz AGFRTEKXKUPFSL-FQEVSTJZSA-N 1 0 356.470 4.457 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCO[C@@H](c3ccccn3)C1)CCCC2 ZINC000417348838 1090827710 /nfs/dbraw/zinc/82/77/10/1090827710.db2.gz JSNCIGYPRFJDBD-LKUPVBHCSA-N 1 0 367.449 4.267 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCOC3(CCSCC3)C1)CCC2 ZINC000278839566 1091770428 /nfs/dbraw/zinc/77/04/28/1091770428.db2.gz UQSPNLDGEPFYJV-YJBOKZPZSA-N 1 0 362.495 4.007 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000107657816 1091786260 /nfs/dbraw/zinc/78/62/60/1091786260.db2.gz URCZDPZBQYBLHH-DGCLKSJQSA-N 1 0 363.767 4.306 20 5 FIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000107713266 1091832357 /nfs/dbraw/zinc/83/23/57/1091832357.db2.gz LKJDRXFFSMLDLB-HNNXBMFYSA-N 1 0 374.746 4.090 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000107898761 1091973351 /nfs/dbraw/zinc/97/33/51/1091973351.db2.gz BSLAFWXFSZOOAJ-UHFFFAOYSA-N 1 0 360.841 4.086 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@@H]2CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000500454803 1092089373 /nfs/dbraw/zinc/08/93/73/1092089373.db2.gz FDNVORMZWVNPIP-CYBMUJFWSA-N 1 0 358.385 4.215 20 5 FIBDRO CN(c1ccccc1)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000512374241 1092185834 /nfs/dbraw/zinc/18/58/34/1092185834.db2.gz DRMGXCJPOGGCLA-VQHVLOKHSA-N 1 0 351.450 4.209 20 5 FIBDRO CC[NH+](CC)Cc1ccc(CNc2cc(OC)c([N+](=O)[O-])cc2F)cc1 ZINC000508280355 1092208995 /nfs/dbraw/zinc/20/89/95/1092208995.db2.gz QCIICKHJAGSZAY-UHFFFAOYSA-N 1 0 361.417 4.196 20 5 FIBDRO C[NH+](C)[C@@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)c1cccs1 ZINC000521055199 1092451526 /nfs/dbraw/zinc/45/15/26/1092451526.db2.gz ZLTFJBFIFFTYIZ-ZFWWWQNUSA-N 1 0 373.400 4.152 20 5 FIBDRO Cc1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000500758681 1092518933 /nfs/dbraw/zinc/51/89/33/1092518933.db2.gz MJTKNKRTPUJQOG-HNNXBMFYSA-N 1 0 367.449 4.387 20 5 FIBDRO CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000521380054 1092669428 /nfs/dbraw/zinc/66/94/28/1092669428.db2.gz ILANRISIPJKOMU-QFBILLFUSA-N 1 0 369.465 4.090 20 5 FIBDRO CSc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)[NH+](C)C)cc1 ZINC000549683672 1092686159 /nfs/dbraw/zinc/68/61/59/1092686159.db2.gz KEIQYJAFHIWGNQ-OAHLLOKOSA-N 1 0 366.874 4.080 20 5 FIBDRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000521502900 1092738624 /nfs/dbraw/zinc/73/86/24/1092738624.db2.gz INZIAFNNEVZUGQ-HNNXBMFYSA-N 1 0 364.804 4.216 20 5 FIBDRO COCCN(Cc1cccs1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549750477 1092746416 /nfs/dbraw/zinc/74/64/16/1092746416.db2.gz ITATWQSDPJSVGQ-UHFFFAOYSA-N 1 0 374.384 4.324 20 5 FIBDRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000474038452 1092775165 /nfs/dbraw/zinc/77/51/65/1092775165.db2.gz SBBBWWNFSQMEKM-QGZVFWFLSA-N 1 0 356.422 4.124 20 5 FIBDRO Cc1ccccc1[C@H]([C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])N(C)C ZINC000443003429 1092911233 /nfs/dbraw/zinc/91/12/33/1092911233.db2.gz UQCLVPPXXUFINC-VTYRTOMDSA-N 1 0 353.466 4.197 20 5 FIBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000443014921 1092915501 /nfs/dbraw/zinc/91/55/01/1092915501.db2.gz REDJRYDDCZSTMP-SECBINFHSA-N 1 0 371.256 4.278 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2cc(F)cc(F)c2)o1 ZINC000521833761 1092930378 /nfs/dbraw/zinc/93/03/78/1092930378.db2.gz IVRICFVNQJYKMK-UHFFFAOYSA-N 1 0 358.344 4.465 20 5 FIBDRO CO[C@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000443075200 1092934983 /nfs/dbraw/zinc/93/49/83/1092934983.db2.gz ZEEULPWEPKMUPR-APWZRJJASA-N 1 0 369.465 4.362 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCc2ccco2)cc1[N+](=O)[O-] ZINC000521823082 1092941115 /nfs/dbraw/zinc/94/11/15/1092941115.db2.gz BRECPRDHWWKRDE-UHFFFAOYSA-N 1 0 351.406 4.288 20 5 FIBDRO C[NH+](C)[C@@H]1CCOc2c(Nc3ccc([N+](=O)[O-])c4cccnc34)cccc21 ZINC000432935992 1092969481 /nfs/dbraw/zinc/96/94/81/1092969481.db2.gz GEZSDXRPHSMUME-QGZVFWFLSA-N 1 0 364.405 4.272 20 5 FIBDRO C[NH+](C)[C@@H]1CCOc2c(Nc3nc4ccccc4cc3[N+](=O)[O-])cccc21 ZINC000432946901 1092981909 /nfs/dbraw/zinc/98/19/09/1092981909.db2.gz YNXGFFCIUFXANN-QGZVFWFLSA-N 1 0 364.405 4.272 20 5 FIBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@@H](c1ccccc1)[NH+](C)C ZINC000439126904 1092982348 /nfs/dbraw/zinc/98/23/48/1092982348.db2.gz GIGHCHYLKKYGGF-XOBRGWDASA-N 1 0 350.422 4.246 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccc(O)c(F)c3)s2)cc1 ZINC000120453823 1093138672 /nfs/dbraw/zinc/13/86/72/1093138672.db2.gz ZWFLVBSVJBEMTO-UHFFFAOYSA-N 1 0 358.394 4.458 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]C2(C(=O)Nc3ccccc3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433078566 1093206531 /nfs/dbraw/zinc/20/65/31/1093206531.db2.gz SILTTYDDUXRNQX-GOSISDBHSA-N 1 0 365.433 4.078 20 5 FIBDRO CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CC2 ZINC000433105356 1093258123 /nfs/dbraw/zinc/25/81/23/1093258123.db2.gz ZSWGDLCFRGSHFL-DNVCBOLYSA-N 1 0 368.481 4.242 20 5 FIBDRO Cc1ccc2c(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)ccc(O)c2n1 ZINC000429687190 1093299440 /nfs/dbraw/zinc/29/94/40/1093299440.db2.gz RIVNIDSYDNZMID-AWEZNQCLSA-N 1 0 351.406 4.316 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)c2cc([N+](=O)[O-])ccc21 ZINC000433155076 1093342201 /nfs/dbraw/zinc/34/22/01/1093342201.db2.gz WISMXLWWZJHRKL-LJQANCHMSA-N 1 0 362.433 4.293 20 5 FIBDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2-n2ccnc2)c2cc([N+](=O)[O-])ccc21 ZINC000433155075 1093342426 /nfs/dbraw/zinc/34/24/26/1093342426.db2.gz WISMXLWWZJHRKL-IBGZPJMESA-N 1 0 362.433 4.293 20 5 FIBDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237006423 1093345249 /nfs/dbraw/zinc/34/52/49/1093345249.db2.gz IETOSTLSGSSGTM-SCLBCKFNSA-N 1 0 362.401 4.023 20 5 FIBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)c2cc([N+](=O)[O-])ccc21 ZINC000433166929 1093358187 /nfs/dbraw/zinc/35/81/87/1093358187.db2.gz LUOULMIJMAMBJK-IBGZPJMESA-N 1 0 366.465 4.102 20 5 FIBDRO C[NH+](C)Cc1cc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1F ZINC000522412475 1093508170 /nfs/dbraw/zinc/50/81/70/1093508170.db2.gz KIFHNEMEPMNGDJ-UHFFFAOYSA-N 1 0 371.334 4.426 20 5 FIBDRO Cc1ccnc(NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000522417561 1093548955 /nfs/dbraw/zinc/54/89/55/1093548955.db2.gz BFPZGCLRZPOPKH-OAHLLOKOSA-N 1 0 354.454 4.142 20 5 FIBDRO CCc1ccc([C@@H](CO)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433303331 1093559096 /nfs/dbraw/zinc/55/90/96/1093559096.db2.gz KRVKHZAIXNDVJU-VQTJNVASSA-N 1 0 354.450 4.203 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000474186504 1093561788 /nfs/dbraw/zinc/56/17/88/1093561788.db2.gz XRTWLQFKEBWAAE-UHFFFAOYSA-N 1 0 373.428 4.282 20 5 FIBDRO CC1(C)C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2cccn2)c2cc([N+](=O)[O-])ccc21 ZINC000433296068 1093562661 /nfs/dbraw/zinc/56/26/61/1093562661.db2.gz RCNGUPQTOITOJI-FHWLQOOXSA-N 1 0 354.454 4.287 20 5 FIBDRO COc1ccc([C@H](CCO)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433305947 1093572066 /nfs/dbraw/zinc/57/20/66/1093572066.db2.gz QQMHJEJWERHHPI-PMACEKPBSA-N 1 0 370.449 4.039 20 5 FIBDRO CC[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1c(C)nn(C)c1C ZINC000433307254 1093573181 /nfs/dbraw/zinc/57/31/81/1093573181.db2.gz UUYNKWIHIUWXBB-ROUUACIJSA-N 1 0 356.470 4.408 20 5 FIBDRO CC[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1c(C)nn(C)c1C ZINC000433307247 1093573249 /nfs/dbraw/zinc/57/32/49/1093573249.db2.gz UUYNKWIHIUWXBB-MSOLQXFVSA-N 1 0 356.470 4.408 20 5 FIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000429964885 1093684415 /nfs/dbraw/zinc/68/44/15/1093684415.db2.gz CHRYLJAFDLHOCE-DNVCBOLYSA-N 1 0 370.453 4.025 20 5 FIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000429964892 1093684464 /nfs/dbraw/zinc/68/44/64/1093684464.db2.gz CHRYLJAFDLHOCE-KXBFYZLASA-N 1 0 370.453 4.025 20 5 FIBDRO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000398169279 1093820099 /nfs/dbraw/zinc/82/00/99/1093820099.db2.gz HPQKOLVFWMPELM-ABSDTBQOSA-N 1 0 353.466 4.156 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[N@H+](C)C[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000513472417 1094151782 /nfs/dbraw/zinc/15/17/82/1094151782.db2.gz DYFUIJPSZKYNIN-SFHVURJKSA-N 1 0 369.465 4.221 20 5 FIBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000513507431 1094168900 /nfs/dbraw/zinc/16/89/00/1094168900.db2.gz ULDFIWMOTBZTDR-FAELENHSSA-N 1 0 352.862 4.010 20 5 FIBDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236980254 1094284313 /nfs/dbraw/zinc/28/43/13/1094284313.db2.gz ZEFDLPJICOYJLP-ZBEGNZNMSA-N 1 0 352.818 4.005 20 5 FIBDRO Cn1cc(C[NH+]2CCC3(CCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513714132 1094695171 /nfs/dbraw/zinc/69/51/71/1094695171.db2.gz YVSFGFZLBBMCHH-UHFFFAOYSA-N 1 0 354.454 4.152 20 5 FIBDRO Cc1ccc([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c(C)c1 ZINC000501844207 1094958910 /nfs/dbraw/zinc/95/89/10/1094958910.db2.gz RWVULVBHQUSCSP-KRWDZBQOSA-N 1 0 367.449 4.030 20 5 FIBDRO COc1cc(C[NH2+]C2CCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237106922 1094985220 /nfs/dbraw/zinc/98/52/20/1094985220.db2.gz IAVOEIQMCDTYPV-UHFFFAOYSA-N 1 0 356.422 4.215 20 5 FIBDRO COc1cc(C)c(C[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000502254854 1095273273 /nfs/dbraw/zinc/27/32/73/1095273273.db2.gz WRGJACYNWBURNZ-GJZGRUSLSA-N 1 0 358.438 4.202 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](c2ccc(F)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000502487082 1095497307 /nfs/dbraw/zinc/49/73/07/1095497307.db2.gz SWBFBDJLIDHUJT-LIRRHRJNSA-N 1 0 373.428 4.356 20 5 FIBDRO CC[C@@H]1C[C@@]1([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(C)c1 ZINC000502482327 1095511580 /nfs/dbraw/zinc/51/15/80/1095511580.db2.gz QGAICAFVRCNIBW-VLIAUNLRSA-N 1 0 350.422 4.195 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+][C@@H](c2ccc(F)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000502483282 1095513860 /nfs/dbraw/zinc/51/38/60/1095513860.db2.gz IBDDOPPXAFRUOH-HXUWFJFHSA-N 1 0 373.428 4.358 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1ccc(Br)cn1 ZINC000281318336 1095525277 /nfs/dbraw/zinc/52/52/77/1095525277.db2.gz ZQKMRTDGSMXQHW-NWDGAFQWSA-N 1 0 364.243 4.473 20 5 FIBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000421506325 1095670032 /nfs/dbraw/zinc/67/00/32/1095670032.db2.gz JRGNXVDQAQPKJE-UHFFFAOYSA-N 1 0 367.449 4.101 20 5 FIBDRO Cc1ccc(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000502765932 1095794286 /nfs/dbraw/zinc/79/42/86/1095794286.db2.gz FELVQINLUDXXGE-UHFFFAOYSA-N 1 0 374.485 4.068 20 5 FIBDRO CC1CC[NH+](Cc2ccc(CNc3ncc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC000522934123 1095903504 /nfs/dbraw/zinc/90/35/04/1095903504.db2.gz SCLZFZJBFCXIGK-UHFFFAOYSA-N 1 0 374.872 4.487 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000421876789 1095971661 /nfs/dbraw/zinc/97/16/61/1095971661.db2.gz KBVUCCBFXZHWOC-HIFRSBDPSA-N 1 0 350.484 4.177 20 5 FIBDRO Cc1c(C[NH2+]Cc2ccc(F)c(Br)c2)cccc1[N+](=O)[O-] ZINC000231884769 1096126094 /nfs/dbraw/zinc/12/60/94/1096126094.db2.gz NWPXVKGBFNVVCJ-UHFFFAOYSA-N 1 0 353.191 4.095 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000503896462 1096578479 /nfs/dbraw/zinc/57/84/79/1096578479.db2.gz XCEOLDHRCPNGQT-GOEBONIOSA-N 1 0 374.412 4.431 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC12CCOCC2 ZINC000503919172 1096586734 /nfs/dbraw/zinc/58/67/34/1096586734.db2.gz FGMLURLYFLBKNA-ILZDJORESA-N 1 0 358.482 4.245 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000503927308 1096590708 /nfs/dbraw/zinc/59/07/08/1096590708.db2.gz IPRMUMYQRZYYPS-NJZAAPMLSA-N 1 0 358.385 4.195 20 5 FIBDRO CC1(C)C[C@H]([NH2+]Cc2cccc3c2CCCN3)c2cc([N+](=O)[O-])ccc21 ZINC000423414946 1096675617 /nfs/dbraw/zinc/67/56/17/1096675617.db2.gz OGIFGLSDEJCTKI-FQEVSTJZSA-N 1 0 351.450 4.465 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3)cc1[N+](=O)[O-] ZINC000423454512 1096699201 /nfs/dbraw/zinc/69/92/01/1096699201.db2.gz ZGLCDMSWUYWUMW-AWEZNQCLSA-N 1 0 355.438 4.202 20 5 FIBDRO CC[C@@H](C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000504230909 1096714157 /nfs/dbraw/zinc/71/41/57/1096714157.db2.gz WQVGQMKAYIUTHO-MRXNPFEDSA-N 1 0 355.438 4.224 20 5 FIBDRO COc1ccc(CC2CC[NH+](Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1 ZINC000504477863 1096786674 /nfs/dbraw/zinc/78/66/74/1096786674.db2.gz PKQTYPPQMMJLFW-UHFFFAOYSA-N 1 0 370.449 4.067 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1cccs1)C(C)C ZINC000532926733 1098596135 /nfs/dbraw/zinc/59/61/35/1098596135.db2.gz SCVCSGWECVYVSG-UHFFFAOYSA-N 1 0 361.467 4.204 20 5 FIBDRO Cc1cccc(CN(C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000532920530 1098610681 /nfs/dbraw/zinc/61/06/81/1098610681.db2.gz DAQCPWVXTKXFRQ-CYBMUJFWSA-N 1 0 361.829 4.016 20 5 FIBDRO CC[C@@H](c1ccccc1)[N@H+](CC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000532935218 1098628390 /nfs/dbraw/zinc/62/83/90/1098628390.db2.gz WEGKADBUJAAQRM-IBGZPJMESA-N 1 0 355.438 4.031 20 5 FIBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000515550482 1098692220 /nfs/dbraw/zinc/69/22/20/1098692220.db2.gz NOTMWHYIWABORN-HZPDHXFCSA-N 1 0 356.470 4.313 20 5 FIBDRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000533045256 1098710010 /nfs/dbraw/zinc/71/00/10/1098710010.db2.gz AHDKRZUZPVVBBD-LIRRHRJNSA-N 1 0 353.422 4.053 20 5 FIBDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]2CCCC[C@H]12 ZINC000079866250 1098731825 /nfs/dbraw/zinc/73/18/25/1098731825.db2.gz CXDPQLUKNNYLJA-XYPHTWIQSA-N 1 0 356.426 4.045 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436313823 1098922699 /nfs/dbraw/zinc/92/26/99/1098922699.db2.gz CLQZZNIFMWBFKK-GFCCVEGCSA-N 1 0 360.380 4.075 20 5 FIBDRO C[C@H](Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000436330640 1098934630 /nfs/dbraw/zinc/93/46/30/1098934630.db2.gz MCIAMLOULOHRGQ-NWDGAFQWSA-N 1 0 372.391 4.074 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000436407392 1098982406 /nfs/dbraw/zinc/98/24/06/1098982406.db2.gz JLCLIEPFXMWLKD-UHFFFAOYSA-N 1 0 362.842 4.032 20 5 FIBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C1 ZINC000536658449 1100112651 /nfs/dbraw/zinc/11/26/51/1100112651.db2.gz AFJUUUKJYSLQQI-KXBFYZLASA-N 1 0 357.454 4.017 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC4(C3)CCOCC4)s2)cc1 ZINC000536663224 1100136819 /nfs/dbraw/zinc/13/68/19/1100136819.db2.gz DEXBKSZDUDODAN-UHFFFAOYSA-N 1 0 358.463 4.326 20 5 FIBDRO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000536826765 1100341842 /nfs/dbraw/zinc/34/18/42/1100341842.db2.gz KLVXSXGJCPDGNJ-GJZGRUSLSA-N 1 0 358.438 4.141 20 5 FIBDRO CC[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000536834477 1100345391 /nfs/dbraw/zinc/34/53/91/1100345391.db2.gz VNAOZECKRQRCBR-CQSZACIVSA-N 1 0 369.343 4.128 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000536840468 1100351825 /nfs/dbraw/zinc/35/18/25/1100351825.db2.gz RUHQQIARBNAJCA-FHERZECASA-N 1 0 362.470 4.454 20 5 FIBDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000536849188 1100362490 /nfs/dbraw/zinc/36/24/90/1100362490.db2.gz ANXCLVHGOUAZTH-QEEYODRMSA-N 1 0 358.438 4.339 20 5 FIBDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000459632127 1100366203 /nfs/dbraw/zinc/36/62/03/1100366203.db2.gz DSQCTMJXWWSXMF-HNNXBMFYSA-N 1 0 366.421 4.146 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)cccc1[N+](=O)[O-] ZINC000536856343 1100371626 /nfs/dbraw/zinc/37/16/26/1100371626.db2.gz FNMAUQVBVYRCKM-CJNGLKHVSA-N 1 0 373.840 4.013 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000536869248 1100387900 /nfs/dbraw/zinc/38/79/00/1100387900.db2.gz JBYIGKXRHIJTOQ-HUUCEWRRSA-N 1 0 358.438 4.284 20 5 FIBDRO C[NH+](C)CCc1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000438558239 1100746156 /nfs/dbraw/zinc/74/61/56/1100746156.db2.gz OMLUPUZLNOCBGJ-UHFFFAOYSA-N 1 0 369.446 4.166 20 5 FIBDRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506294145 1100797956 /nfs/dbraw/zinc/79/79/56/1100797956.db2.gz IPSHMIJXQACRSF-HXUWFJFHSA-N 1 0 362.433 4.332 20 5 FIBDRO COc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1O ZINC000426170611 1100938639 /nfs/dbraw/zinc/93/86/39/1100938639.db2.gz PRGMIYFARJNVNB-HUUCEWRRSA-N 1 0 358.438 4.289 20 5 FIBDRO COc1ccc(C[NH2+]CC2CCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000518267558 1101051936 /nfs/dbraw/zinc/05/19/36/1101051936.db2.gz KYPRCCOABZVHKO-UHFFFAOYSA-N 1 0 370.449 4.462 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCN(C3CCCC3)C2)s1 ZINC000518284640 1101068090 /nfs/dbraw/zinc/06/80/90/1101068090.db2.gz WAUZZICQWHYWTL-OAHLLOKOSA-N 1 0 371.506 4.430 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1cc2cccc(F)c2o1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000475705622 1101366599 /nfs/dbraw/zinc/36/65/99/1101366599.db2.gz LFUMVXXWMNGIOQ-NWDGAFQWSA-N 1 0 371.368 4.158 20 5 FIBDRO Cc1c(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)cccc1[N+](=O)[O-] ZINC000537041213 1101417752 /nfs/dbraw/zinc/41/77/52/1101417752.db2.gz VCFUSWNGKVEREV-UHFFFAOYSA-N 1 0 368.433 4.234 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000537097253 1101446928 /nfs/dbraw/zinc/44/69/28/1101446928.db2.gz HJZORYLMODEMCU-CHWSQXEVSA-N 1 0 353.422 4.236 20 5 FIBDRO CC(C)c1ccc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)cc1[N+](=O)[O-] ZINC000439460368 1101448601 /nfs/dbraw/zinc/44/86/01/1101448601.db2.gz GRMYVPIUIMYKAL-UHFFFAOYSA-N 1 0 350.378 4.361 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1cc2cccc(F)c2o1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000475716533 1101465313 /nfs/dbraw/zinc/46/53/13/1101465313.db2.gz PZQKOZIEMZVWSR-VXGBXAGGSA-N 1 0 371.368 4.158 20 5 FIBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000537108176 1101474831 /nfs/dbraw/zinc/47/48/31/1101474831.db2.gz GUACXHVCPFCQFE-KRWDZBQOSA-N 1 0 370.840 4.055 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000537176102 1101517779 /nfs/dbraw/zinc/51/77/79/1101517779.db2.gz QJJBWXYSOPHVMK-OAHLLOKOSA-N 1 0 369.465 4.490 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CCCc2nc(-c3cccs3)no2)cc1[N+](=O)[O-] ZINC000537177826 1101519874 /nfs/dbraw/zinc/51/98/74/1101519874.db2.gz XUBFTSGRMGZGMN-ZDUSSCGKSA-N 1 0 372.450 4.298 20 5 FIBDRO Cc1ccccc1[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000537291232 1101609970 /nfs/dbraw/zinc/60/99/70/1101609970.db2.gz OBSNTELPUDBOPS-QRWLVFNGSA-N 1 0 367.449 4.280 20 5 FIBDRO COCCOc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000507168503 1101706076 /nfs/dbraw/zinc/70/60/76/1101706076.db2.gz DGNVJGDPYZKREA-UHFFFAOYSA-N 1 0 358.438 4.031 20 5 FIBDRO CCC[C@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1cccc([N+](=O)[O-])c1 ZINC000537452805 1101805425 /nfs/dbraw/zinc/80/54/25/1101805425.db2.gz WUSGDLCJCISZJV-KRWDZBQOSA-N 1 0 354.406 4.444 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N(C)C)cc1[N+](=O)[O-] ZINC000152581926 1102050626 /nfs/dbraw/zinc/05/06/26/1102050626.db2.gz HSIKDBOTXBFVQQ-CJNGLKHVSA-N 1 0 363.483 4.009 20 5 FIBDRO Cc1ccc(C[NH2+]C2(c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] ZINC000237759828 1102143414 /nfs/dbraw/zinc/14/34/14/1102143414.db2.gz NJJRVMWUMGAXFB-UHFFFAOYSA-N 1 0 361.239 4.445 20 5 FIBDRO Cc1ccn(-c2ccccc2C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000127649264 1102157986 /nfs/dbraw/zinc/15/79/86/1102157986.db2.gz LUUNGQCMADFPHF-INIZCTEOSA-N 1 0 350.422 4.248 20 5 FIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cnc(-c3ccncc3)s2)cc1 ZINC000440322317 1102207409 /nfs/dbraw/zinc/20/74/09/1102207409.db2.gz ALUQUQAHYIYFLH-UHFFFAOYSA-N 1 0 368.462 4.226 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000532441279 1102328025 /nfs/dbraw/zinc/32/80/25/1102328025.db2.gz QEMIGHTUJYPVDF-ZDUSSCGKSA-N 1 0 350.365 4.398 20 5 FIBDRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000532460827 1102367983 /nfs/dbraw/zinc/36/79/83/1102367983.db2.gz KNTXMLHGMVVCNW-HRAATJIYSA-N 1 0 369.465 4.091 20 5 FIBDRO CCC[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000532469921 1102387198 /nfs/dbraw/zinc/38/71/98/1102387198.db2.gz BYOHPOYIWGXQEQ-JXFKEZNVSA-N 1 0 360.429 4.016 20 5 FIBDRO C[C@@H]1Cc2ccccc2C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000532585292 1102506168 /nfs/dbraw/zinc/50/61/68/1102506168.db2.gz WXCHKKIOBNMBIV-OAHLLOKOSA-N 1 0 363.417 4.239 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000519557580 1102585643 /nfs/dbraw/zinc/58/56/43/1102585643.db2.gz RRPQQMHVEZWRDA-INIZCTEOSA-N 1 0 372.440 4.485 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1)C1CC1 ZINC000508787156 1102588756 /nfs/dbraw/zinc/58/87/56/1102588756.db2.gz ZPWBOQPNHVGZPS-UHFFFAOYSA-N 1 0 353.422 4.140 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2cc3ccccc3s2)n1 ZINC000550882640 1102653120 /nfs/dbraw/zinc/65/31/20/1102653120.db2.gz PUNJRJMJXOHPES-SJORKVTESA-N 1 0 370.478 4.322 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2cc3ccccc3s2)n1 ZINC000550882639 1102653225 /nfs/dbraw/zinc/65/32/25/1102653225.db2.gz PUNJRJMJXOHPES-IRXDYDNUSA-N 1 0 370.478 4.322 20 5 FIBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CCCc1ccccc1)c1ccccc1 ZINC000476662612 1102679203 /nfs/dbraw/zinc/67/92/03/1102679203.db2.gz FMVGFNHHUZUTDA-IBGZPJMESA-N 1 0 364.449 4.182 20 5 FIBDRO C[C@@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000550920929 1102693948 /nfs/dbraw/zinc/69/39/48/1102693948.db2.gz LEBDEEBSHXYODO-CQSZACIVSA-N 1 0 372.494 4.313 20 5 FIBDRO c1ccc2c(c1)cc(-c1noc([C@@H]3C[NH2+]C[C@@H]4CCO[C@H]43)n1)c1ccccc21 ZINC001211931970 1102761628 /nfs/dbraw/zinc/76/16/28/1102761628.db2.gz PGWGJSFURVBTTD-IWMITWMQSA-N 1 0 371.440 4.135 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(Cn3ccnc3)c1)CCC2 ZINC000192653388 1102805793 /nfs/dbraw/zinc/80/57/93/1102805793.db2.gz USAVDMBOGMMFIR-NRFANRHFSA-N 1 0 362.433 4.007 20 5 FIBDRO COCCC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000282046424 1102879801 /nfs/dbraw/zinc/87/98/01/1102879801.db2.gz VCEXATYTPHEZAS-KRWDZBQOSA-N 1 0 362.401 4.000 20 5 FIBDRO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000729682340 1103036179 /nfs/dbraw/zinc/03/61/79/1103036179.db2.gz QMOICFRLGIALNS-UHFFFAOYSA-N 1 0 370.840 4.075 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000507165383 1103165241 /nfs/dbraw/zinc/16/52/41/1103165241.db2.gz POQZWEVEVKJOKK-QGZVFWFLSA-N 1 0 367.449 4.030 20 5 FIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(-n2cccn2)c1 ZINC000507151249 1103168919 /nfs/dbraw/zinc/16/89/19/1103168919.db2.gz CEDLIXOGKKXBEY-UHFFFAOYSA-N 1 0 350.422 4.191 20 5 FIBDRO Cc1ccccc1[C@H](C)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)C ZINC000551423825 1103207395 /nfs/dbraw/zinc/20/73/95/1103207395.db2.gz OZWJHMSLNMJUMX-INIZCTEOSA-N 1 0 369.465 4.221 20 5 FIBDRO Cn1nccc1-c1ccccc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000507245009 1103247253 /nfs/dbraw/zinc/24/72/53/1103247253.db2.gz VQISXDGXCQSYGW-UHFFFAOYSA-N 1 0 362.433 4.160 20 5 FIBDRO CCSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000507554629 1103480500 /nfs/dbraw/zinc/48/05/00/1103480500.db2.gz VEGDXMPGGSVDEL-UONOGXRCSA-N 1 0 373.478 4.385 20 5 FIBDRO Cc1ccc(Sc2ccc(C[N@H+]3CC[C@@H]([C@H](C)O)C3)cc2[N+](=O)[O-])cc1 ZINC000507700951 1103630161 /nfs/dbraw/zinc/63/01/61/1103630161.db2.gz YBUKAKODIWJIAK-DOTOQJQBSA-N 1 0 372.490 4.257 20 5 FIBDRO COc1cc(C[NH2+]Cc2ccc3sccc3c2)c([N+](=O)[O-])cc1OC ZINC000519785522 1103870878 /nfs/dbraw/zinc/87/08/78/1103870878.db2.gz ALDNXNITEGDKHC-UHFFFAOYSA-N 1 0 358.419 4.117 20 5 FIBDRO CC(C)(C)c1ccc(C(C)(C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000538204209 1104018037 /nfs/dbraw/zinc/01/80/37/1104018037.db2.gz BSRTUBKDIPNYAL-UHFFFAOYSA-N 1 0 369.465 4.016 20 5 FIBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000538185397 1104021629 /nfs/dbraw/zinc/02/16/29/1104021629.db2.gz RVOMOWBINFBVJX-CQSZACIVSA-N 1 0 350.850 4.249 20 5 FIBDRO Cc1ccccc1[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000538258788 1104082244 /nfs/dbraw/zinc/08/22/44/1104082244.db2.gz IZYVJZQNKRQQBX-LJQANCHMSA-N 1 0 355.438 4.219 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000538276978 1104096917 /nfs/dbraw/zinc/09/69/17/1104096917.db2.gz WOSMKVJJILJCIS-CYBMUJFWSA-N 1 0 361.829 4.236 20 5 FIBDRO Cc1cc([C@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C2CC2)ccc1F ZINC000538319715 1104135086 /nfs/dbraw/zinc/13/50/86/1104135086.db2.gz BMLCYHKYPFYXRD-HXUWFJFHSA-N 1 0 371.412 4.030 20 5 FIBDRO COc1cc(OC)cc(OCCC[N@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000438543635 1104716686 /nfs/dbraw/zinc/71/66/86/1104716686.db2.gz BWUPMJDPHDCCGL-OAHLLOKOSA-N 1 0 374.437 4.074 20 5 FIBDRO CCC(O)(CC)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000507931035 1105275067 /nfs/dbraw/zinc/27/50/67/1105275067.db2.gz PMQLTAXXIZWDBP-UHFFFAOYSA-N 1 0 357.454 4.003 20 5 FIBDRO COc1cc(C[NH+]2CCC(C(C)C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000441456820 1106900841 /nfs/dbraw/zinc/90/08/41/1106900841.db2.gz IJOWNVVDHQGQKZ-UHFFFAOYSA-N 1 0 358.385 4.073 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)CC3CCC3)o2)c(Cl)c1 ZINC000475491547 1107518650 /nfs/dbraw/zinc/51/86/50/1107518650.db2.gz IOAGPYYRWNEFQT-CYBMUJFWSA-N 1 0 364.829 4.149 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)CC2CCC2)ccc1Oc1ccc(F)cc1 ZINC000475499992 1107578451 /nfs/dbraw/zinc/57/84/51/1107578451.db2.gz CAWFFRHWDDCGAG-KRWDZBQOSA-N 1 0 374.412 4.167 20 5 FIBDRO Cc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)cc2C)cc1Cl ZINC000909601669 1107816736 /nfs/dbraw/zinc/81/67/36/1107816736.db2.gz QADALKWVDDSYRG-UHFFFAOYSA-N 1 0 361.829 4.179 20 5 FIBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000909602891 1107878900 /nfs/dbraw/zinc/87/89/00/1107878900.db2.gz PDTDKUZOADPCSH-UHFFFAOYSA-N 1 0 361.829 4.179 20 5 FIBDRO CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(Cl)cc1 ZINC000520173573 1107946277 /nfs/dbraw/zinc/94/62/77/1107946277.db2.gz QGKYQZCZSLONCU-UHFFFAOYSA-N 1 0 372.812 4.320 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2C=CCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531556343 1107959578 /nfs/dbraw/zinc/95/95/78/1107959578.db2.gz LFZOEIMNLZCPNT-GOSISDBHSA-N 1 0 368.433 4.381 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)s1 ZINC000531609421 1108008262 /nfs/dbraw/zinc/00/82/62/1108008262.db2.gz JYXDKQNEYQHGFV-QGPMSJSTSA-N 1 0 358.463 4.371 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1CNc1[nH+]ccn1Cc1ccccc1Cl ZINC000508502092 1108023888 /nfs/dbraw/zinc/02/38/88/1108023888.db2.gz ADSXXMFSKONHDX-UHFFFAOYSA-N 1 0 356.813 4.414 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000520213303 1108051594 /nfs/dbraw/zinc/05/15/94/1108051594.db2.gz UGMSWINQCLBLLV-HNAYVOBHSA-N 1 0 370.449 4.461 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000531692569 1108059161 /nfs/dbraw/zinc/05/91/61/1108059161.db2.gz GUOGQNOTGANBRD-LPHOPBHVSA-N 1 0 357.454 4.374 20 5 FIBDRO CC[N@H+](CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CC1 ZINC000520218507 1108062484 /nfs/dbraw/zinc/06/24/84/1108062484.db2.gz GNYBCZHCJDFEMT-UHFFFAOYSA-N 1 0 373.428 4.100 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](O)C2CCCCC2)s1 ZINC000520218769 1108063404 /nfs/dbraw/zinc/06/34/04/1108063404.db2.gz VRCZQRWTXCAELN-SFHVURJKSA-N 1 0 360.479 4.354 20 5 FIBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cc(F)cc(F)c1 ZINC000444695791 1108099806 /nfs/dbraw/zinc/09/98/06/1108099806.db2.gz GCLHAKCOWVZEAI-UHFFFAOYSA-N 1 0 373.359 4.203 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nn1C ZINC000453215352 1108285463 /nfs/dbraw/zinc/28/54/63/1108285463.db2.gz CEWFLKLYJNYYFE-LSDHHAIUSA-N 1 0 350.422 4.407 20 5 FIBDRO C[C@H]([NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000453295321 1108373126 /nfs/dbraw/zinc/37/31/26/1108373126.db2.gz XMUWMLHXZDKTSZ-SJCJKPOMSA-N 1 0 368.355 4.388 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CCc2ncccc2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453307337 1108394864 /nfs/dbraw/zinc/39/48/64/1108394864.db2.gz KGKYTKLHYMDIPH-NRFANRHFSA-N 1 0 365.433 4.375 20 5 FIBDRO Cc1ccc(CNc2[nH+]ccn2Cc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000508516898 1108414675 /nfs/dbraw/zinc/41/46/75/1108414675.db2.gz UQLPKZJABNWJAV-UHFFFAOYSA-N 1 0 356.813 4.414 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000453324463 1108415446 /nfs/dbraw/zinc/41/54/46/1108415446.db2.gz VZKDHJBYZNEUNO-KHYOSLBOSA-N 1 0 350.459 4.095 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000532166419 1108692410 /nfs/dbraw/zinc/69/24/10/1108692410.db2.gz ZZZWKIUFVAXFGC-HNNXBMFYSA-N 1 0 351.516 4.133 20 5 FIBDRO CC[C@H](Cc1ccccc1)[N@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000532351473 1108775332 /nfs/dbraw/zinc/77/53/32/1108775332.db2.gz IHTQFVNAESQLRJ-LJQANCHMSA-N 1 0 370.449 4.305 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000190625289 1108840224 /nfs/dbraw/zinc/84/02/24/1108840224.db2.gz ZLGCBCYZMXBUCD-KGLIPLIRSA-N 1 0 367.405 4.327 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1)C(C)C ZINC000524429500 1109016867 /nfs/dbraw/zinc/01/68/67/1109016867.db2.gz GMJCCYRROJGFKI-UHFFFAOYSA-N 1 0 355.438 4.102 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc(-c4ccccc4)c3)nc2c1 ZINC000446839830 1109361196 /nfs/dbraw/zinc/36/11/96/1109361196.db2.gz VKOZJYAPTQLAJR-UHFFFAOYSA-N 1 0 358.401 4.428 20 5 FIBDRO CCC[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000152245235 1109370576 /nfs/dbraw/zinc/37/05/76/1109370576.db2.gz CZTYSRSRKGOOHQ-IBGZPJMESA-N 1 0 350.422 4.412 20 5 FIBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000441220675 1109473370 /nfs/dbraw/zinc/47/33/70/1109473370.db2.gz CZEIZDJYLKYAIH-CQSZACIVSA-N 1 0 362.401 4.204 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000525697636 1109481677 /nfs/dbraw/zinc/48/16/77/1109481677.db2.gz OQBIKPSVRYTANX-CYBMUJFWSA-N 1 0 370.384 4.111 20 5 FIBDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]2CCCO[C@@H]21 ZINC000525708844 1109489133 /nfs/dbraw/zinc/48/91/33/1109489133.db2.gz JTDLDJFJIZSDOA-IPELMVKDSA-N 1 0 356.422 4.148 20 5 FIBDRO Cc1c(F)cccc1NC(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441237494 1109504970 /nfs/dbraw/zinc/50/49/70/1109504970.db2.gz WUPKXBFIPUPSAC-UHFFFAOYSA-N 1 0 371.412 4.036 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000447368173 1109524868 /nfs/dbraw/zinc/52/48/68/1109524868.db2.gz PIXQQMOCUKBTNI-AWEZNQCLSA-N 1 0 359.401 4.042 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc3ccccc3c2)n1 ZINC000447526410 1109562088 /nfs/dbraw/zinc/56/20/88/1109562088.db2.gz BHLNRJJQVHCTKP-RBUKOAKNSA-N 1 0 350.422 4.218 20 5 FIBDRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)Sc1ccccc1 ZINC000447530711 1109564195 /nfs/dbraw/zinc/56/41/95/1109564195.db2.gz PDLIRDDUZSHROJ-HYVNUMGLSA-N 1 0 360.483 4.045 20 5 FIBDRO CCN(CC)[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000447542432 1109573461 /nfs/dbraw/zinc/57/34/61/1109573461.db2.gz PCEHFVNKJVFLKW-RTBURBONSA-N 1 0 357.454 4.238 20 5 FIBDRO C[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCc2sccc2C1 ZINC000447563701 1109582778 /nfs/dbraw/zinc/58/27/78/1109582778.db2.gz RTKSVEPWOWXTGO-IFXJQAMLSA-N 1 0 371.506 4.070 20 5 FIBDRO C[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCc2sccc2C1 ZINC000447563703 1109583050 /nfs/dbraw/zinc/58/30/50/1109583050.db2.gz RTKSVEPWOWXTGO-LIRRHRJNSA-N 1 0 371.506 4.070 20 5 FIBDRO CCCCCn1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c(C)n1 ZINC000447589121 1109588608 /nfs/dbraw/zinc/58/86/08/1109588608.db2.gz WOPXHCHXQOUEGG-FQEVSTJZSA-N 1 0 356.470 4.457 20 5 FIBDRO Cc1oc2ccccc2c1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447606382 1109600725 /nfs/dbraw/zinc/60/07/25/1109600725.db2.gz MDUUBBLNDBUNRY-SJORKVTESA-N 1 0 354.410 4.119 20 5 FIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000447951314 1109679957 /nfs/dbraw/zinc/67/99/57/1109679957.db2.gz BQLMIRKYXJHQNS-NSHDSACASA-N 1 0 367.390 4.146 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000449061551 1109965139 /nfs/dbraw/zinc/96/51/39/1109965139.db2.gz GNQNYFZIWQYGKK-YJBOKZPZSA-N 1 0 359.495 4.014 20 5 FIBDRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000449122828 1109980622 /nfs/dbraw/zinc/98/06/22/1109980622.db2.gz MBZZDODLDLHUIC-HNNXBMFYSA-N 1 0 372.465 4.110 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000449136116 1109982857 /nfs/dbraw/zinc/98/28/57/1109982857.db2.gz UIMVLZNJEFQNJN-CQSZACIVSA-N 1 0 369.396 4.152 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000449178083 1109989607 /nfs/dbraw/zinc/98/96/07/1109989607.db2.gz TXFDDKRRHBCSPS-CVEARBPZSA-N 1 0 350.422 4.062 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000449215993 1109999263 /nfs/dbraw/zinc/99/92/63/1109999263.db2.gz PKCQAJNHSVOEOQ-HPUBIQBYSA-N 1 0 362.470 4.016 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000449260467 1110017510 /nfs/dbraw/zinc/01/75/10/1110017510.db2.gz XOUQNGBLAUGRNV-XJKSGUPXSA-N 1 0 352.356 4.462 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000449293576 1110025400 /nfs/dbraw/zinc/02/54/00/1110025400.db2.gz VVTUAIJOJOGDSH-ZWKOTPCHSA-N 1 0 353.466 4.032 20 5 FIBDRO C[C@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000449350350 1110038311 /nfs/dbraw/zinc/03/83/11/1110038311.db2.gz VBPSHFDBVWXOGB-ZDUSSCGKSA-N 1 0 361.392 4.193 20 5 FIBDRO C[C@@H](CCO)CC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000449356172 1110048524 /nfs/dbraw/zinc/04/85/24/1110048524.db2.gz GMKDKAFWZAELNC-CQSZACIVSA-N 1 0 362.401 4.024 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000449476458 1110084686 /nfs/dbraw/zinc/08/46/86/1110084686.db2.gz GJPRXOYWJFABBJ-LNLFQRSKSA-N 1 0 358.482 4.245 20 5 FIBDRO CC(C)[NH+]1CCC(N(C)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450237334 1110267862 /nfs/dbraw/zinc/26/78/62/1110267862.db2.gz LMKIXYNSJBQDAR-UHFFFAOYSA-N 1 0 360.483 4.027 20 5 FIBDRO Cc1cc([C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C2CC2)ccc1F ZINC000538323547 1111090982 /nfs/dbraw/zinc/09/09/82/1111090982.db2.gz PTPNVMZVGNURSJ-DJJJIMSYSA-N 1 0 371.412 4.110 20 5 FIBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000461199238 1111112688 /nfs/dbraw/zinc/11/26/88/1111112688.db2.gz XLWXKMSUTULZOD-UHFFFAOYSA-N 1 0 363.483 4.004 20 5 FIBDRO Cn1cc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538399554 1111115970 /nfs/dbraw/zinc/11/59/70/1111115970.db2.gz NUFRIWBBMVZQLG-QGPMSJSTSA-N 1 0 354.454 4.054 20 5 FIBDRO C[C@@]1([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCOC1 ZINC000538427752 1111133044 /nfs/dbraw/zinc/13/30/44/1111133044.db2.gz PRHLZJJFJAPZTG-GOSISDBHSA-N 1 0 362.813 4.309 20 5 FIBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000538718096 1111260537 /nfs/dbraw/zinc/26/05/37/1111260537.db2.gz URSZNHBZTXIYMM-RHSMWYFYSA-N 1 0 374.510 4.023 20 5 FIBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000538751277 1111281784 /nfs/dbraw/zinc/28/17/84/1111281784.db2.gz ADFBPCKVHHNSPQ-INIZCTEOSA-N 1 0 373.522 4.487 20 5 FIBDRO CSCC[C@H](CO)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539062301 1111408291 /nfs/dbraw/zinc/40/82/91/1111408291.db2.gz XIWTXFXILBQDSP-CHWSQXEVSA-N 1 0 366.508 4.088 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000539069758 1111417872 /nfs/dbraw/zinc/41/78/72/1111417872.db2.gz WORBNBUZQWADFW-CXAGYDPISA-N 1 0 373.840 4.013 20 5 FIBDRO CCC[N@H+](C)C[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000461967245 1111444847 /nfs/dbraw/zinc/44/48/47/1111444847.db2.gz QGVYYZZKPLVJNQ-CYBMUJFWSA-N 1 0 359.392 4.090 20 5 FIBDRO Cc1cc(NC2CC([NH+]3CCCCC3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461975400 1111451188 /nfs/dbraw/zinc/45/11/88/1111451188.db2.gz XQDKELVEBIFQDN-UHFFFAOYSA-N 1 0 357.376 4.351 20 5 FIBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000539255355 1111496320 /nfs/dbraw/zinc/49/63/20/1111496320.db2.gz JWIITAPUHXNPGF-HNNXBMFYSA-N 1 0 361.829 4.236 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccccc1C)C(C)C ZINC000539261473 1111498812 /nfs/dbraw/zinc/49/88/12/1111498812.db2.gz QTTGOLXYYXBIRD-FQEVSTJZSA-N 1 0 355.438 4.137 20 5 FIBDRO CC(C)(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000539301992 1111512378 /nfs/dbraw/zinc/51/23/78/1111512378.db2.gz VNEMDDXMLKWZPZ-OAHLLOKOSA-N 1 0 370.375 4.187 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1c(F)cncc1F ZINC000552093313 1111572610 /nfs/dbraw/zinc/57/26/10/1111572610.db2.gz CNQODFRCJGHBRY-NWDGAFQWSA-N 1 0 367.421 4.490 20 5 FIBDRO CC[C@@H]([NH2+]CCc1ccc(-n2cccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000480303974 1112378427 /nfs/dbraw/zinc/37/84/27/1112378427.db2.gz GIMODLPLWWBMHH-HXUWFJFHSA-N 1 0 350.422 4.064 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)c1 ZINC000554963419 1112586221 /nfs/dbraw/zinc/58/62/21/1112586221.db2.gz WGXLEKMVNDOUPG-UHFFFAOYSA-N 1 0 371.437 4.088 20 5 FIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc2n[nH]cc2c1 ZINC000555524434 1112910685 /nfs/dbraw/zinc/91/06/85/1112910685.db2.gz RUROFQUICVIZLN-JTQLQIEISA-N 1 0 364.327 4.341 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCO[C@@H](CCF)C3)o2)c(Cl)c1 ZINC000600203918 1112927154 /nfs/dbraw/zinc/92/71/54/1112927154.db2.gz GAKPHAYBEIHDHR-ZDUSSCGKSA-N 1 0 368.792 4.069 20 5 FIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1OC(F)F ZINC000482506501 1113280017 /nfs/dbraw/zinc/28/00/17/1113280017.db2.gz ZOARGUFIBUIQJS-LLVKDONJSA-N 1 0 354.328 4.229 20 5 FIBDRO CC[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000249190414 1113388387 /nfs/dbraw/zinc/38/83/87/1113388387.db2.gz NPUJRXWFQFKEPY-KBMXLJTQSA-N 1 0 360.376 4.119 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000160762996 1113447084 /nfs/dbraw/zinc/44/70/84/1113447084.db2.gz NMPZRXNXJTUUJK-WWMYMODYSA-N 1 0 353.466 4.156 20 5 FIBDRO CCCOc1ccc(C(C)(C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000483277806 1113479041 /nfs/dbraw/zinc/47/90/41/1113479041.db2.gz FZKYYSBCBJJTMN-UHFFFAOYSA-N 1 0 368.437 4.285 20 5 FIBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC[N@@H+](C2CCC2)C1 ZINC000488774510 1113993201 /nfs/dbraw/zinc/99/32/01/1113993201.db2.gz IDGVBYKJXADPTA-OAHLLOKOSA-N 1 0 361.486 4.083 20 5 FIBDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000489101201 1114049468 /nfs/dbraw/zinc/04/94/68/1114049468.db2.gz RVRVZXLGVIYXBU-HXUWFJFHSA-N 1 0 357.454 4.003 20 5 FIBDRO COc1cc(C[NH2+]C[C@@H]2CC2(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000489101949 1114050158 /nfs/dbraw/zinc/05/01/58/1114050158.db2.gz SJRMMEWJEVYQFB-KRWDZBQOSA-N 1 0 370.449 4.318 20 5 FIBDRO Cc1c(F)cccc1NC(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490200822 1114237430 /nfs/dbraw/zinc/23/74/30/1114237430.db2.gz JOAQAYZPSGEHTK-UHFFFAOYSA-N 1 0 371.412 4.036 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000490301615 1114265489 /nfs/dbraw/zinc/26/54/89/1114265489.db2.gz QOBHWAUJPPBYJB-ZDUSSCGKSA-N 1 0 362.376 4.477 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H](O)C2CCCCC2)c2ccccc2)c1 ZINC000491013226 1114365729 /nfs/dbraw/zinc/36/57/29/1114365729.db2.gz ZBNCQKGYYQBTHV-NHCUHLMSSA-N 1 0 354.450 4.215 20 5 FIBDRO CC[N@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000491083075 1114366101 /nfs/dbraw/zinc/36/61/01/1114366101.db2.gz FSJUBEZIIDVPMH-GFCCVEGCSA-N 1 0 360.401 4.114 20 5 FIBDRO COc1cc(C[N@H+]([C@@H](C)C2CC2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491116988 1114375939 /nfs/dbraw/zinc/37/59/39/1114375939.db2.gz WHTPLLHVSJICLM-NSHDSACASA-N 1 0 370.396 4.010 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000586778940 1114392114 /nfs/dbraw/zinc/39/21/14/1114392114.db2.gz GPNLULMFTSPMPN-CEXWTWQISA-N 1 0 372.852 4.253 20 5 FIBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000587235493 1114422339 /nfs/dbraw/zinc/42/23/39/1114422339.db2.gz KWJRZWXMOSSFAX-UHFFFAOYSA-N 1 0 371.466 4.052 20 5 FIBDRO COc1ccc([C@H](C)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)c(C)c1OC ZINC000588215978 1114555978 /nfs/dbraw/zinc/55/59/78/1114555978.db2.gz KCOMZFMWBVMDRP-HNNXBMFYSA-N 1 0 374.437 4.040 20 5 FIBDRO CC[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000164798598 1114585469 /nfs/dbraw/zinc/58/54/69/1114585469.db2.gz CZVVPPPXNKZYHK-MRXNPFEDSA-N 1 0 373.478 4.303 20 5 FIBDRO Cc1ccc2c(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1C ZINC000056197212 1114658975 /nfs/dbraw/zinc/65/89/75/1114658975.db2.gz LKAQVQJEQBEUGT-AWEZNQCLSA-N 1 0 352.390 4.169 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](F)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000588929975 1114676617 /nfs/dbraw/zinc/67/66/17/1114676617.db2.gz NGXAIVNQBWAIRC-IRXDYDNUSA-N 1 0 374.412 4.163 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000588954796 1114679720 /nfs/dbraw/zinc/67/97/20/1114679720.db2.gz QFYPLCLYJQGCJZ-LJQANCHMSA-N 1 0 351.406 4.122 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)F)ccc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000589103428 1114696909 /nfs/dbraw/zinc/69/69/09/1114696909.db2.gz KJTFQXWDBPSDCK-OAHLLOKOSA-N 1 0 351.353 4.374 20 5 FIBDRO CC(=O)c1ccc(NCC2CC[NH+](Cc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000057854804 1115022094 /nfs/dbraw/zinc/02/20/94/1115022094.db2.gz RRNNFLYQUCXXMZ-UHFFFAOYSA-N 1 0 373.478 4.183 20 5 FIBDRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000045987720 1115147641 /nfs/dbraw/zinc/14/76/41/1115147641.db2.gz BWYRRFSINXGDIY-UHFFFAOYSA-N 1 0 370.453 4.067 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C2CCC(O)(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000760904460 1115168181 /nfs/dbraw/zinc/16/81/81/1115168181.db2.gz BIZBOTCRRBIUBF-AFJQURTJSA-N 1 0 354.450 4.384 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(O)(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000760904478 1115168400 /nfs/dbraw/zinc/16/84/00/1115168400.db2.gz BTKXRQFHCXOVSY-YLZJTPGZSA-N 1 0 354.450 4.384 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000573981323 1115227599 /nfs/dbraw/zinc/22/75/99/1115227599.db2.gz NJRSOKWHOIOLHZ-FUHWJXTLSA-N 1 0 357.479 4.070 20 5 FIBDRO C[C@H]1CC2(C[N@@H+]1Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CCOCC2 ZINC000592527812 1115241199 /nfs/dbraw/zinc/24/11/99/1115241199.db2.gz QUOHTNCTKHLIIR-HNNXBMFYSA-N 1 0 356.422 4.246 20 5 FIBDRO CC[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1F ZINC000593062398 1115279606 /nfs/dbraw/zinc/27/96/06/1115279606.db2.gz BYMOTQLPGGXITK-INIZCTEOSA-N 1 0 359.401 4.112 20 5 FIBDRO CC(C)(C)OC(=O)C1(C)CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000592522712 1115341194 /nfs/dbraw/zinc/34/11/94/1115341194.db2.gz FWKNJCTWNBVQOP-CLFYSBASSA-N 1 0 360.454 4.052 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H](C3CC3)[C@H]3CCCCO3)cs2)c1 ZINC000594509459 1115456660 /nfs/dbraw/zinc/45/66/60/1115456660.db2.gz ISVARTBNRFDDNR-MSOLQXFVSA-N 1 0 373.478 4.156 20 5 FIBDRO COc1cccc2c1OCC[C@H]2[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594517419 1115458387 /nfs/dbraw/zinc/45/83/87/1115458387.db2.gz BWYQHHVSMRVCDS-QZTJIDSGSA-N 1 0 368.433 4.038 20 5 FIBDRO COC[C@@H](C)Oc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000594935199 1115501056 /nfs/dbraw/zinc/50/10/56/1115501056.db2.gz DVNZNCUMPXBOPR-OAHLLOKOSA-N 1 0 358.438 4.033 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cncc(Br)c2C)cc1[N+](=O)[O-] ZINC000594940615 1115501505 /nfs/dbraw/zinc/50/15/05/1115501505.db2.gz PHJVEKBQXVHTQP-LBPRGKRZSA-N 1 0 364.243 4.220 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000595014003 1115504051 /nfs/dbraw/zinc/50/40/51/1115504051.db2.gz KYGYVNSZUCODPP-LLVKDONJSA-N 1 0 354.328 4.473 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000595013925 1115504142 /nfs/dbraw/zinc/50/41/42/1115504142.db2.gz RSVOTWFTIQUSOG-OAHLLOKOSA-N 1 0 361.486 4.051 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000595015256 1115504231 /nfs/dbraw/zinc/50/42/31/1115504231.db2.gz YSFKFIAFZGXHHI-CABCVRRESA-N 1 0 366.421 4.201 20 5 FIBDRO CO[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000594995785 1115506270 /nfs/dbraw/zinc/50/62/70/1115506270.db2.gz UNGBOOFRHIQTIW-QGZVFWFLSA-N 1 0 361.467 4.013 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CCCc3c(C)cccc32)c([N+](=O)[O-])cc1OC ZINC000595001740 1115506516 /nfs/dbraw/zinc/50/65/16/1115506516.db2.gz WWHDDKGHHUYFMO-KRWDZBQOSA-N 1 0 356.422 4.088 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000595003786 1115507376 /nfs/dbraw/zinc/50/73/76/1115507376.db2.gz KCBWMLIYBKWZMB-LLVKDONJSA-N 1 0 354.328 4.473 20 5 FIBDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000595031320 1115510090 /nfs/dbraw/zinc/51/00/90/1115510090.db2.gz CKXIKMCSYPTGFT-SIIHOXLZSA-N 1 0 350.459 4.238 20 5 FIBDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041143 1115511213 /nfs/dbraw/zinc/51/12/13/1115511213.db2.gz YSDPAVRWAUGQBP-APPDUMDISA-N 1 0 360.385 4.089 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2noc3ccccc23)cc1[N+](=O)[O-] ZINC000595049822 1115512153 /nfs/dbraw/zinc/51/21/53/1115512153.db2.gz PBHZVXVYRYOCCZ-CYBMUJFWSA-N 1 0 355.394 4.028 20 5 FIBDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000595084744 1115517659 /nfs/dbraw/zinc/51/76/59/1115517659.db2.gz ITGXPHLWVKOUFZ-YSSFQJQWSA-N 1 0 368.481 4.052 20 5 FIBDRO CCC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000595089053 1115517813 /nfs/dbraw/zinc/51/78/13/1115517813.db2.gz XYGMTMPOEAPJMO-FFZOFVMBSA-N 1 0 356.470 4.171 20 5 FIBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000595298051 1115522007 /nfs/dbraw/zinc/52/20/07/1115522007.db2.gz NTSLCQPKSSNVJN-FXAWDEMLSA-N 1 0 358.413 4.334 20 5 FIBDRO COc1ccc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1[N+](=O)[O-] ZINC000593126561 1115567249 /nfs/dbraw/zinc/56/72/49/1115567249.db2.gz WETDCARVGYQTRE-YYWHXJBOSA-N 1 0 368.433 4.098 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)CCC2 ZINC000596118417 1115575014 /nfs/dbraw/zinc/57/50/14/1115575014.db2.gz YPJWZXHZYXQMQI-INIZCTEOSA-N 1 0 351.328 4.176 20 5 FIBDRO CC[N@H+](CCNc1ccc(C(F)F)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000596209508 1115578660 /nfs/dbraw/zinc/57/86/60/1115578660.db2.gz GJXUFEXLQBGCHJ-UHFFFAOYSA-N 1 0 355.307 4.219 20 5 FIBDRO C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)CC1=CCCOC1 ZINC000597206356 1115647646 /nfs/dbraw/zinc/64/76/46/1115647646.db2.gz NWXDRPQKLAQSFZ-UHFFFAOYSA-N 1 0 372.396 4.305 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[N@H+](C)CC2=CCCOC2)cc1[N+](=O)[O-] ZINC000597205779 1115649467 /nfs/dbraw/zinc/64/94/67/1115649467.db2.gz JDBFZAVCNPSKQR-UHFFFAOYSA-N 1 0 367.449 4.141 20 5 FIBDRO COc1ccc([C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C2CC2)cn1 ZINC000599095970 1115789317 /nfs/dbraw/zinc/78/93/17/1115789317.db2.gz JPXGRRRNXVAOEN-AZUAARDMSA-N 1 0 353.422 4.117 20 5 FIBDRO COc1ccc(C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000603840570 1115818952 /nfs/dbraw/zinc/81/89/52/1115818952.db2.gz IESATUYXVPXNOE-UHFFFAOYSA-N 1 0 370.327 4.134 20 5 FIBDRO Cc1cc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000603841074 1115819930 /nfs/dbraw/zinc/81/99/30/1115819930.db2.gz VPEBXWHBJNVKLD-UHFFFAOYSA-N 1 0 374.485 4.023 20 5 FIBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3cccnc3[N+](=O)[O-])cc2)C1 ZINC000603862275 1115823126 /nfs/dbraw/zinc/82/31/26/1115823126.db2.gz KYLQYYBIJGWAPK-HOTGVXAUSA-N 1 0 354.454 4.080 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000603869549 1115824346 /nfs/dbraw/zinc/82/43/46/1115824346.db2.gz UTFZCQBGUXDDIF-UHFFFAOYSA-N 1 0 363.820 4.464 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](CC3CCCCC3)CC2)c2ccncc21 ZINC000603932120 1115830915 /nfs/dbraw/zinc/83/09/15/1115830915.db2.gz IZACXKSBIXRVRX-UHFFFAOYSA-N 1 0 368.481 4.235 20 5 FIBDRO COc1ccc([C@H](C)NCc2cc([N+](=O)[O-])ccc2OC(C)C)c(OC)c1 ZINC000599601085 1115830993 /nfs/dbraw/zinc/83/09/93/1115830993.db2.gz QQKJLYPBZPTYRF-AWEZNQCLSA-N 1 0 374.437 4.250 20 5 FIBDRO COc1cc(C[NH2+]C[C@H](C)C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000604419141 1115865125 /nfs/dbraw/zinc/86/51/25/1115865125.db2.gz SIBHTOVRFKTBNP-HNNXBMFYSA-N 1 0 370.449 4.318 20 5 FIBDRO COc1ccccc1[C@@H](CNc1ccsc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000604433534 1115865374 /nfs/dbraw/zinc/86/53/74/1115865374.db2.gz VOWOILKYKFQEBI-MRXNPFEDSA-N 1 0 361.467 4.304 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)c1 ZINC000604481236 1115866483 /nfs/dbraw/zinc/86/64/83/1115866483.db2.gz XYRGQIBOVZWJLM-IBGZPJMESA-N 1 0 359.857 4.175 20 5 FIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521709 1115867389 /nfs/dbraw/zinc/86/73/89/1115867389.db2.gz VEZKWMBZQUUUKT-FPOVZHCZSA-N 1 0 354.450 4.237 20 5 FIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000171954526 1115892696 /nfs/dbraw/zinc/89/26/96/1115892696.db2.gz YVNUNJZFOWPJEN-UHFFFAOYSA-N 1 0 358.413 4.163 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000594019841 1115962225 /nfs/dbraw/zinc/96/22/25/1115962225.db2.gz ACQUDAGSQOEOJK-OAHLLOKOSA-N 1 0 362.433 4.479 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000594046566 1115979037 /nfs/dbraw/zinc/97/90/37/1115979037.db2.gz WEEQITPIIAFSTF-ZDUSSCGKSA-N 1 0 369.412 4.035 20 5 FIBDRO O=[N+]([O-])c1sccc1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000063256647 1116030250 /nfs/dbraw/zinc/03/02/50/1116030250.db2.gz AYSLTXYJWXGTKN-UHFFFAOYSA-N 1 0 351.859 4.386 20 5 FIBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000063482228 1116073750 /nfs/dbraw/zinc/07/37/50/1116073750.db2.gz FKIQAHKLGTYYGP-UHFFFAOYSA-N 1 0 355.438 4.144 20 5 FIBDRO C[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000174030161 1116107937 /nfs/dbraw/zinc/10/79/37/1116107937.db2.gz DHCRQEWKSVXCFD-JEYLPNPQSA-N 1 0 363.458 4.081 20 5 FIBDRO Cc1csc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000608836302 1116131159 /nfs/dbraw/zinc/13/11/59/1116131159.db2.gz DGRSCARIKHHIPO-UHFFFAOYSA-N 1 0 359.476 4.421 20 5 FIBDRO C[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCCC[C@H]1C ZINC000608836451 1116131173 /nfs/dbraw/zinc/13/11/73/1116131173.db2.gz YOJKWFJRZYJBSD-HZPDHXFCSA-N 1 0 357.454 4.207 20 5 FIBDRO CN(CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000608836828 1116131326 /nfs/dbraw/zinc/13/13/26/1116131326.db2.gz RJLOLMMEZTUICG-UHFFFAOYSA-N 1 0 365.433 4.076 20 5 FIBDRO C[C@@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000456287237 1116174128 /nfs/dbraw/zinc/17/41/28/1116174128.db2.gz VYPGHSWQDSNPLA-BLVKFPJESA-N 1 0 371.412 4.025 20 5 FIBDRO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccc(C)cc1 ZINC000535072334 1116267256 /nfs/dbraw/zinc/26/72/56/1116267256.db2.gz JANFQYOQSDSYPN-UHFFFAOYSA-N 1 0 364.449 4.326 20 5 FIBDRO CC(C)[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000535593283 1116329599 /nfs/dbraw/zinc/32/95/99/1116329599.db2.gz BHMLSRGMIPUHNT-UHFFFAOYSA-N 1 0 368.481 4.213 20 5 FIBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907089 1116346973 /nfs/dbraw/zinc/34/69/73/1116346973.db2.gz LJQPJTWXTPTORL-IRXDYDNUSA-N 1 0 361.467 4.356 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000152867503 1116359568 /nfs/dbraw/zinc/35/95/68/1116359568.db2.gz ISBIVSUCBLSAQL-IRXDYDNUSA-N 1 0 369.465 4.171 20 5 FIBDRO Cc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000462731877 1117739383 /nfs/dbraw/zinc/73/93/83/1117739383.db2.gz RTWZJFZZEPZASB-INIZCTEOSA-N 1 0 359.857 4.315 20 5 FIBDRO Cc1ccccc1O[C@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000462735403 1117742074 /nfs/dbraw/zinc/74/20/74/1117742074.db2.gz DCLNTCDOYPBZML-CYBMUJFWSA-N 1 0 366.364 4.062 20 5 FIBDRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000539928293 1117752768 /nfs/dbraw/zinc/75/27/68/1117752768.db2.gz WSIZUKLVOWMWAX-JCVNQNCUSA-N 1 0 360.454 4.052 20 5 FIBDRO CC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000462807372 1117788800 /nfs/dbraw/zinc/78/88/00/1117788800.db2.gz RTLPYBNSBMFPFI-BEFAXECRSA-N 1 0 357.429 4.301 20 5 FIBDRO C[N@H+](Cc1ccco1)Cc1ccccc1CNc1ccccc1[N+](=O)[O-] ZINC000462884789 1117839565 /nfs/dbraw/zinc/83/95/65/1117839565.db2.gz AJPRDBJGWFRAFG-UHFFFAOYSA-N 1 0 351.406 4.432 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000462906033 1117851427 /nfs/dbraw/zinc/85/14/27/1117851427.db2.gz JUBRJYUGPXAXAL-QMJOVRGKSA-N 1 0 369.440 4.253 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000462906030 1117851590 /nfs/dbraw/zinc/85/15/90/1117851590.db2.gz JUBRJYUGPXAXAL-FYXHJSOBSA-N 1 0 369.440 4.253 20 5 FIBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CCCCC1 ZINC000462926175 1117863064 /nfs/dbraw/zinc/86/30/64/1117863064.db2.gz CYLFSDDFZWNCGG-OAHLLOKOSA-N 1 0 357.401 4.119 20 5 FIBDRO CC(C)(C)c1nnc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000540158014 1117902268 /nfs/dbraw/zinc/90/22/68/1117902268.db2.gz RFAAITYTWWLHKA-UKRRQHHQSA-N 1 0 374.510 4.245 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@H](O)Cc1ccccc1 ZINC000540154936 1117907989 /nfs/dbraw/zinc/90/79/89/1117907989.db2.gz ASOFKZVJCWUTRP-SZVBFZGTSA-N 1 0 374.506 4.047 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H](O)Cc1ccccc1 ZINC000540154934 1117908165 /nfs/dbraw/zinc/90/81/65/1117908165.db2.gz ASOFKZVJCWUTRP-KVSKMBFKSA-N 1 0 374.506 4.047 20 5 FIBDRO CCC[C@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1cccc([N+](=O)[O-])c1 ZINC000540170871 1117912769 /nfs/dbraw/zinc/91/27/69/1117912769.db2.gz QRUZFWFPPZKTIS-KRWDZBQOSA-N 1 0 370.428 4.294 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(SC)c(F)c2)cc1[N+](=O)[O-] ZINC000540173478 1117914638 /nfs/dbraw/zinc/91/46/38/1117914638.db2.gz GKOIJIXKHDJUJE-NSHDSACASA-N 1 0 350.415 4.315 20 5 FIBDRO Cc1cnc(NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000463050274 1117941046 /nfs/dbraw/zinc/94/10/46/1117941046.db2.gz YZEHNHRHPGEDPS-MRXNPFEDSA-N 1 0 360.483 4.245 20 5 FIBDRO COc1cc(OC)cc(OCCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000540222290 1117951255 /nfs/dbraw/zinc/95/12/55/1117951255.db2.gz LBDAXQJXNZPDQE-OAHLLOKOSA-N 1 0 374.437 4.040 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1 ZINC000540354582 1117999404 /nfs/dbraw/zinc/99/94/04/1117999404.db2.gz OFOAPPRGGYIPMP-DOTOQJQBSA-N 1 0 355.438 4.280 20 5 FIBDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000540617295 1118153464 /nfs/dbraw/zinc/15/34/64/1118153464.db2.gz KYPYBLLXVBOACX-FUHWJXTLSA-N 1 0 371.481 4.249 20 5 FIBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000540628859 1118158781 /nfs/dbraw/zinc/15/87/81/1118158781.db2.gz DWSKHYPLUZNHPA-NEPJUHHUSA-N 1 0 350.802 4.165 20 5 FIBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC000541007205 1118343300 /nfs/dbraw/zinc/34/33/00/1118343300.db2.gz REVAIYSJRSZSMM-WMLDXEAASA-N 1 0 360.483 4.163 20 5 FIBDRO C[C@@H]1CC[C@@]2(CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000541019595 1118356414 /nfs/dbraw/zinc/35/64/14/1118356414.db2.gz FJXIPSFLPBLOTB-FOIQADDNSA-N 1 0 355.438 4.304 20 5 FIBDRO C[C@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000090079271 1118360804 /nfs/dbraw/zinc/36/08/04/1118360804.db2.gz OACSKGSMMJSZDN-ZUZCIYMTSA-N 1 0 355.221 4.286 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000541566259 1118557202 /nfs/dbraw/zinc/55/72/02/1118557202.db2.gz JITJHYFZAPSJEH-CHWSQXEVSA-N 1 0 371.462 4.495 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000541770298 1118643466 /nfs/dbraw/zinc/64/34/66/1118643466.db2.gz NOZSDWCBTPPHCQ-UHFFFAOYSA-N 1 0 361.239 4.445 20 5 FIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464761335 1118684138 /nfs/dbraw/zinc/68/41/38/1118684138.db2.gz NBULVMKXUDDDMH-INIZCTEOSA-N 1 0 358.463 4.088 20 5 FIBDRO CC[C@@]1(C)CCC[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000464774832 1118689805 /nfs/dbraw/zinc/68/98/05/1118689805.db2.gz KQSWCOUGWGYULD-KRWDZBQOSA-N 1 0 358.385 4.217 20 5 FIBDRO Cc1ccc(CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]2CCCO2)cc1 ZINC000464776361 1118690547 /nfs/dbraw/zinc/69/05/47/1118690547.db2.gz NIECJKSDNRYFJM-NRFANRHFSA-N 1 0 354.450 4.127 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCOC3CCCCCC3)CC2)cc1 ZINC000464784566 1118694315 /nfs/dbraw/zinc/69/43/15/1118694315.db2.gz YZGYVAPNOWVTCO-UHFFFAOYSA-N 1 0 362.470 4.177 20 5 FIBDRO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000609144641 1118771819 /nfs/dbraw/zinc/77/18/19/1118771819.db2.gz TZUAOUWLAFZFKU-JXFKEZNVSA-N 1 0 358.413 4.334 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cc[nH]c(=O)c1 ZINC000549860611 1118944691 /nfs/dbraw/zinc/94/46/91/1118944691.db2.gz IPDOMMTZYOBWLD-GFCCVEGCSA-N 1 0 355.419 4.275 20 5 FIBDRO C[NH+](C)CCCC1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000549921568 1118974398 /nfs/dbraw/zinc/97/43/98/1118974398.db2.gz CLERTHNPXOOOLK-UHFFFAOYSA-N 1 0 373.419 4.167 20 5 FIBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc2ccccc2c2cccnc12 ZINC000172841697 1118983056 /nfs/dbraw/zinc/98/30/56/1118983056.db2.gz XZELXXQQAYWHGF-SFHVURJKSA-N 1 0 361.489 4.334 20 5 FIBDRO COc1cc(C[N@H+](C)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491890257 1118990521 /nfs/dbraw/zinc/99/05/21/1118990521.db2.gz NJUCYABMBVHYQM-UHFFFAOYSA-N 1 0 358.385 4.012 20 5 FIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000492107333 1119025427 /nfs/dbraw/zinc/02/54/27/1119025427.db2.gz OZWAORLIDUTWPQ-RBSFLKMASA-N 1 0 351.878 4.085 20 5 FIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000492107331 1119025647 /nfs/dbraw/zinc/02/56/47/1119025647.db2.gz OZWAORLIDUTWPQ-QLFBSQMISA-N 1 0 351.878 4.085 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000492350853 1119073849 /nfs/dbraw/zinc/07/38/49/1119073849.db2.gz KGGBXJPZYPZMEC-CQSZACIVSA-N 1 0 358.463 4.281 20 5 FIBDRO CCOc1cc(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)ccc1[N+](=O)[O-] ZINC000492719371 1119172499 /nfs/dbraw/zinc/17/24/99/1119172499.db2.gz DTXQMDBLBLBWNU-LBPRGKRZSA-N 1 0 366.364 4.446 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1OC(F)F ZINC000492728789 1119174136 /nfs/dbraw/zinc/17/41/36/1119174136.db2.gz PYWATCFDJHWACZ-AWEZNQCLSA-N 1 0 366.364 4.446 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000031006293 1119211135 /nfs/dbraw/zinc/21/11/35/1119211135.db2.gz ALPPFEXUNCWQNF-UHFFFAOYSA-N 1 0 361.829 4.017 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000492912786 1119212689 /nfs/dbraw/zinc/21/26/89/1119212689.db2.gz QCGWLFRTFLOPAQ-IERDGZPVSA-N 1 0 352.434 4.138 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)ccc1[N+](=O)[O-] ZINC000493011729 1119243174 /nfs/dbraw/zinc/24/31/74/1119243174.db2.gz VPISOHIKSLGICL-LLVKDONJSA-N 1 0 352.337 4.056 20 5 FIBDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000493174223 1119329755 /nfs/dbraw/zinc/32/97/55/1119329755.db2.gz ICPLCPJKOQZVNB-SESVDKBCSA-N 1 0 354.450 4.477 20 5 FIBDRO Cc1ccccc1C[NH+]1CCC(NCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761520354 1119409455 /nfs/dbraw/zinc/40/94/55/1119409455.db2.gz BVPPJPYAQZCWPQ-UHFFFAOYSA-N 1 0 373.884 4.311 20 5 FIBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(Cl)c1 ZINC000761526484 1119409655 /nfs/dbraw/zinc/40/96/55/1119409655.db2.gz NFWRPWCVLVDTGW-INIZCTEOSA-N 1 0 355.221 4.379 20 5 FIBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000493252435 1119435421 /nfs/dbraw/zinc/43/54/21/1119435421.db2.gz HRIVIYJUWFILMV-INIZCTEOSA-N 1 0 360.841 4.287 20 5 FIBDRO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000493277080 1119438366 /nfs/dbraw/zinc/43/83/66/1119438366.db2.gz ONYHEGIMJYONOE-SBHAEUEKSA-N 1 0 353.466 4.147 20 5 FIBDRO Cc1c(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000031620979 1119516581 /nfs/dbraw/zinc/51/65/81/1119516581.db2.gz JBXLQINSPZKTBH-UHFFFAOYSA-N 1 0 353.422 4.141 20 5 FIBDRO C/C(=C/c1ccccc1)C[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000494275416 1119811994 /nfs/dbraw/zinc/81/19/94/1119811994.db2.gz ZJSKHRUGHCUYJR-PEZBUJJGSA-N 1 0 367.449 4.267 20 5 FIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)c1 ZINC000542493699 1120074237 /nfs/dbraw/zinc/07/42/37/1120074237.db2.gz BLSSJVNCTPOKSL-HXUWFJFHSA-N 1 0 369.371 4.190 20 5 FIBDRO Cc1ccc(NC(=O)[C@@H]([NH2+]C2(C3CC3)CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000542522580 1120378691 /nfs/dbraw/zinc/37/86/91/1120378691.db2.gz WEULBQNGVWOUTQ-IBGZPJMESA-N 1 0 365.433 4.115 20 5 FIBDRO C[C@H](CCO)C1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000494948626 1120386823 /nfs/dbraw/zinc/38/68/23/1120386823.db2.gz IUOCHZYCDSECIO-UTKZUKDTSA-N 1 0 368.477 4.463 20 5 FIBDRO C[C@H](CCO)C1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000494948622 1120386926 /nfs/dbraw/zinc/38/69/26/1120386926.db2.gz IUOCHZYCDSECIO-DYESRHJHSA-N 1 0 368.477 4.463 20 5 FIBDRO CC(C)[C@@H](O)C1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000494968826 1120407597 /nfs/dbraw/zinc/40/75/97/1120407597.db2.gz LGLHXQWBGDKJJB-VQTJNVASSA-N 1 0 354.450 4.071 20 5 FIBDRO CC(C)[C@H](O)C1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000494968824 1120408046 /nfs/dbraw/zinc/40/80/46/1120408046.db2.gz LGLHXQWBGDKJJB-UXHICEINSA-N 1 0 354.450 4.071 20 5 FIBDRO Cc1c(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000609214605 1120444402 /nfs/dbraw/zinc/44/44/02/1120444402.db2.gz OHKLVRVPESLQPY-HNNXBMFYSA-N 1 0 370.453 4.154 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@H]2CCO)ccc1Oc1ccc(F)cc1 ZINC000495184707 1120532017 /nfs/dbraw/zinc/53/20/17/1120532017.db2.gz PNNFULMNSPVKFZ-MAUKXSAKSA-N 1 0 374.412 4.167 20 5 FIBDRO CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC000495239678 1120564870 /nfs/dbraw/zinc/56/48/70/1120564870.db2.gz AXLZFRQQQMTMIL-GFCCVEGCSA-N 1 0 352.431 4.257 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000090527211 1120725657 /nfs/dbraw/zinc/72/56/57/1120725657.db2.gz YHCZSKOBWVNVQP-UHOSZYNNSA-N 1 0 358.482 4.387 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000303256821 1120742507 /nfs/dbraw/zinc/74/25/07/1120742507.db2.gz OKRMQPJVJPARPQ-UHFFFAOYSA-N 1 0 369.465 4.094 20 5 FIBDRO Cn1c(=O)c2cc3ccccc3cc2nc1SCC[C@@H]1CCCC[N@@H+]1C ZINC000495389350 1120774659 /nfs/dbraw/zinc/77/46/59/1120774659.db2.gz JFNAZXWYXFQQSK-KRWDZBQOSA-N 1 0 367.518 4.053 20 5 FIBDRO Cc1cc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000153701714 1121034990 /nfs/dbraw/zinc/03/49/90/1121034990.db2.gz HCQSJZRXHPYPHW-UHFFFAOYSA-N 1 0 374.485 4.023 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)cccc1[N+](=O)[O-] ZINC000090656973 1121102335 /nfs/dbraw/zinc/10/23/35/1121102335.db2.gz MMQQIGSNRGCJED-APWZRJJASA-N 1 0 356.466 4.356 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000194168837 1121225398 /nfs/dbraw/zinc/22/53/98/1121225398.db2.gz ZISXNRUEAFUNDE-LLVKDONJSA-N 1 0 365.227 4.217 20 5 FIBDRO CC1CC[NH+](C[C@H]2CCCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)CC1 ZINC000301130910 1121441055 /nfs/dbraw/zinc/44/10/55/1121441055.db2.gz YFUBNXRXFKZTDK-QGZVFWFLSA-N 1 0 368.481 4.091 20 5 FIBDRO C[NH+]1CCC(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301176309 1121600068 /nfs/dbraw/zinc/60/00/68/1121600068.db2.gz YZGMSAXVZVRSKA-UHFFFAOYSA-N 1 0 351.756 4.021 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)ccc1Cl ZINC000154166575 1121840337 /nfs/dbraw/zinc/84/03/37/1121840337.db2.gz ICUQQEZKQYFWMB-XJKSGUPXSA-N 1 0 366.870 4.398 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc3ccnc(Cl)c3s2)cc1 ZINC001649112721 1121904497 /nfs/dbraw/zinc/90/44/97/1121904497.db2.gz VHAXPDJPZNUWSI-UHFFFAOYSA-N 1 0 363.826 4.027 20 5 FIBDRO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 ZINC000765779199 1121980688 /nfs/dbraw/zinc/98/06/88/1121980688.db2.gz JUOBDHJDCPJKSN-HNNXBMFYSA-N 1 0 357.429 4.096 20 5 FIBDRO CC(=O)c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301542069 1122218979 /nfs/dbraw/zinc/21/89/79/1122218979.db2.gz NTIJRJMAFFYNPZ-BEFAXECRSA-N 1 0 367.449 4.262 20 5 FIBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301560061 1122219864 /nfs/dbraw/zinc/21/98/64/1122219864.db2.gz UJOJRTFYPFPQCS-BXKDBHETSA-N 1 0 365.783 4.043 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000301551230 1122220194 /nfs/dbraw/zinc/22/01/94/1122220194.db2.gz QRKNULZEKKYDQI-QFBILLFUSA-N 1 0 369.465 4.206 20 5 FIBDRO CC(=O)c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301597025 1122230499 /nfs/dbraw/zinc/23/04/99/1122230499.db2.gz SQPYLYDHCRMHGV-HNAYVOBHSA-N 1 0 367.449 4.120 20 5 FIBDRO CC(C)(C)[C@H]([NH2+]Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000917433065 1122312500 /nfs/dbraw/zinc/31/25/00/1122312500.db2.gz VGVNEIMEXDDWJP-GOSISDBHSA-N 1 0 365.437 4.188 20 5 FIBDRO CCC[N@@H+](Cc1ccc(C)cc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000917454461 1122319213 /nfs/dbraw/zinc/31/92/13/1122319213.db2.gz IDCYQKXLHMMLNK-UHFFFAOYSA-N 1 0 365.437 4.031 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)c1 ZINC000154526549 1122443565 /nfs/dbraw/zinc/44/35/65/1122443565.db2.gz QCLJUFNPOXPNAK-SFTDATJTSA-N 1 0 365.433 4.337 20 5 FIBDRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000069784239 1122673518 /nfs/dbraw/zinc/67/35/18/1122673518.db2.gz QYSGLOZXVJWELF-UHFFFAOYSA-N 1 0 370.840 4.341 20 5 FIBDRO O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1ccc(C[NH+]2CCCCC2)cc1 ZINC000918908954 1122827800 /nfs/dbraw/zinc/82/78/00/1122827800.db2.gz IUPYIZMUZVENKX-UHFFFAOYSA-N 1 0 372.396 4.077 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OC ZINC000556879474 1123165794 /nfs/dbraw/zinc/16/57/94/1123165794.db2.gz DLSVVRPXHGLUIH-SCWSEQNSSA-N 1 0 370.449 4.044 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000556895568 1123171228 /nfs/dbraw/zinc/17/12/28/1123171228.db2.gz UWUXOGPEASRUSJ-JXAWBTAJSA-N 1 0 366.461 4.024 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]CC2(c3ccccn3)CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000556922298 1123232515 /nfs/dbraw/zinc/23/25/15/1123232515.db2.gz AZSQXYDOQZTEDB-GOSISDBHSA-N 1 0 351.450 4.424 20 5 FIBDRO CC[C@](C)(O)C[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000609544470 1123749446 /nfs/dbraw/zinc/74/94/46/1123749446.db2.gz KJJPCXJETBDKEQ-IBGZPJMESA-N 1 0 360.479 4.305 20 5 FIBDRO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000609599069 1123764221 /nfs/dbraw/zinc/76/42/21/1123764221.db2.gz HMKGMITXXPLWLJ-KRWDZBQOSA-N 1 0 356.422 4.340 20 5 FIBDRO C[NH+](C)CC[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)(C)C ZINC000609709083 1123804460 /nfs/dbraw/zinc/80/44/60/1123804460.db2.gz STSBZIMKOHUSLL-IBGZPJMESA-N 1 0 359.470 4.311 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCc3ccc(O)cc3)cs2)c1 ZINC000609826083 1123851405 /nfs/dbraw/zinc/85/14/05/1123851405.db2.gz PNNMUICRZNPYKE-UHFFFAOYSA-N 1 0 369.446 4.146 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCc2cc3ccccc3o2)c1 ZINC000610090269 1123937021 /nfs/dbraw/zinc/93/70/21/1123937021.db2.gz ZXSSVIRAFVDEOP-UHFFFAOYSA-N 1 0 362.332 4.275 20 5 FIBDRO CC1CC[NH+](C[C@H]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000301243737 1123959505 /nfs/dbraw/zinc/95/95/05/1123959505.db2.gz PHKTXYPYKHHAGV-QGZVFWFLSA-N 1 0 368.481 4.091 20 5 FIBDRO Cn1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(-c2cccs2)n1 ZINC000179695280 1124032349 /nfs/dbraw/zinc/03/23/49/1124032349.db2.gz QUFLOOREDCTBOJ-UHFFFAOYSA-N 1 0 368.462 4.221 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179753317 1124045673 /nfs/dbraw/zinc/04/56/73/1124045673.db2.gz DJJISCXLMULQBB-LJQANCHMSA-N 1 0 374.824 4.260 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273476871 1124149521 /nfs/dbraw/zinc/14/95/21/1124149521.db2.gz KIFYGWKZNQGYCV-GFLQFSHBSA-N 1 0 356.397 4.257 20 5 FIBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000765850687 1124214552 /nfs/dbraw/zinc/21/45/52/1124214552.db2.gz ZJUPVPXYHRSIIK-HZPDHXFCSA-N 1 0 364.854 4.108 20 5 FIBDRO COc1cc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000123178125 1124402504 /nfs/dbraw/zinc/40/25/04/1124402504.db2.gz GZEATNRGSGPFRH-GFCCVEGCSA-N 1 0 366.364 4.098 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000180826881 1124446331 /nfs/dbraw/zinc/44/63/31/1124446331.db2.gz ZGFNEEOWQOTTIU-ZDUSSCGKSA-N 1 0 356.813 4.285 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(OCC)c2)cc1[N+](=O)[O-] ZINC000153795373 1124462832 /nfs/dbraw/zinc/46/28/32/1124462832.db2.gz SVAFHWGGECXUBJ-CQSZACIVSA-N 1 0 374.437 4.252 20 5 FIBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C12CCCC2 ZINC000462758572 1124489450 /nfs/dbraw/zinc/48/94/50/1124489450.db2.gz UZHDLBTVJYZYSP-HOTGVXAUSA-N 1 0 370.396 4.024 20 5 FIBDRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123246286 1124553724 /nfs/dbraw/zinc/55/37/24/1124553724.db2.gz VFROUEPAHOCSAR-CYBMUJFWSA-N 1 0 368.462 4.315 20 5 FIBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000181309172 1124850988 /nfs/dbraw/zinc/85/09/88/1124850988.db2.gz YKWAZVCMQKKGAO-INIZCTEOSA-N 1 0 363.417 4.386 20 5 FIBDRO CC(C)(C)[NH+]1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000113324968 1125151142 /nfs/dbraw/zinc/15/11/42/1125151142.db2.gz MPPHABDHAAZZLR-UHFFFAOYSA-N 1 0 374.510 4.071 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3Cc4ccccc43)cs2)c1 ZINC000113335838 1125154539 /nfs/dbraw/zinc/15/45/39/1125154539.db2.gz ATLYVLSJKDCXQY-OAHLLOKOSA-N 1 0 351.431 4.148 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)CCC2 ZINC000618569066 1125208540 /nfs/dbraw/zinc/20/85/40/1125208540.db2.gz AMOXDHCSOGHPOP-NHCUHLMSSA-N 1 0 362.433 4.200 20 5 FIBDRO C[C@H](O)[C@@](C)(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000618577755 1125209530 /nfs/dbraw/zinc/20/95/30/1125209530.db2.gz FCZBEBZMONPALP-KNXBSLHKSA-N 1 0 368.477 4.192 20 5 FIBDRO C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311850868 1125232691 /nfs/dbraw/zinc/23/26/91/1125232691.db2.gz SJRSXTIWISVEFY-ZIFCJYIRSA-N 1 0 353.466 4.156 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000301776035 1125264054 /nfs/dbraw/zinc/26/40/54/1125264054.db2.gz LHHOMUROKYFGNW-WFASDCNBSA-N 1 0 369.387 4.067 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000098068113 222224494 /nfs/dbraw/zinc/22/44/94/222224494.db2.gz UDGOMVYXQYTWTA-CABCVRRESA-N 1 0 363.417 4.426 20 5 FIBDRO CC[C@@H]([NH2+]CCCc1ccc(OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000481407009 567905972 /nfs/dbraw/zinc/90/59/72/567905972.db2.gz RDTDJPSCIQSUQA-GOSISDBHSA-N 1 0 358.438 4.286 20 5 FIBDRO COc1ccc(CCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000481411803 567906067 /nfs/dbraw/zinc/90/60/67/567906067.db2.gz IHWMTJFYHBYSNU-HNNXBMFYSA-N 1 0 358.438 4.204 20 5 FIBDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568651200 568106961 /nfs/dbraw/zinc/10/69/61/568106961.db2.gz OEOXDFHCEKSKNV-FXAWDEMLSA-N 1 0 354.450 4.210 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCc3ccc(F)cc3F)o2)c1 ZINC000569953162 568444287 /nfs/dbraw/zinc/44/42/87/568444287.db2.gz DCEOWJJYIURSKM-UHFFFAOYSA-N 1 0 358.344 4.465 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000570607355 568490729 /nfs/dbraw/zinc/49/07/29/568490729.db2.gz RFCSOCWLWUUFKN-LPHOPBHVSA-N 1 0 351.450 4.101 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000070860939 1125707784 /nfs/dbraw/zinc/70/77/84/1125707784.db2.gz UGDGSGMRWCLQNF-LLVKDONJSA-N 1 0 352.337 4.056 20 5 FIBDRO CC[C@@H]1CC[N@@H+]1Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000430207834 1079954122 /nfs/dbraw/zinc/95/41/22/1079954122.db2.gz RSOUBWLUJTZOSR-QGZVFWFLSA-N 1 0 356.422 4.167 20 5 FIBDRO Cc1ccc(OCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000608835477 1079977436 /nfs/dbraw/zinc/97/74/36/1079977436.db2.gz LCADLJOHMCIYBN-UHFFFAOYSA-N 1 0 352.390 4.332 20 5 FIBDRO CCC1([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCOCC1 ZINC000535613376 1080246905 /nfs/dbraw/zinc/24/69/05/1080246905.db2.gz ZEQZIPOTVSPFKY-UHFFFAOYSA-N 1 0 369.465 4.412 20 5 FIBDRO COc1ccc(C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C2CC2)cc1 ZINC001167131407 1080661703 /nfs/dbraw/zinc/66/17/03/1080661703.db2.gz OQCJCDIFEVAHGH-INIZCTEOSA-N 1 0 370.449 4.283 20 5 FIBDRO CC(C)(C)CC[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001167131684 1080661792 /nfs/dbraw/zinc/66/17/92/1080661792.db2.gz QREOOACGOVZAOD-UHFFFAOYSA-N 1 0 374.312 4.455 20 5 FIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000043347682 1080741583 /nfs/dbraw/zinc/74/15/83/1080741583.db2.gz IVHURGJZNHBIQU-UHFFFAOYSA-N 1 0 370.453 4.067 20 5 FIBDRO Cc1nc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc2ccccc12 ZINC000579919000 1081005103 /nfs/dbraw/zinc/00/51/03/1081005103.db2.gz CPQXCWDQNHTGHR-KRWDZBQOSA-N 1 0 362.433 4.226 20 5 FIBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1Br ZINC000043596449 1081152219 /nfs/dbraw/zinc/15/22/19/1081152219.db2.gz NWCBTVINZGTNSI-GFCCVEGCSA-N 1 0 358.280 4.280 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000109765398 1081181778 /nfs/dbraw/zinc/18/17/78/1081181778.db2.gz AINIYWGKLTVXSG-CQSZACIVSA-N 1 0 350.422 4.412 20 5 FIBDRO Cc1c(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000610004681 1081370213 /nfs/dbraw/zinc/37/02/13/1081370213.db2.gz XJUFFZOTWCDQBA-KRWDZBQOSA-N 1 0 356.397 4.137 20 5 FIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC001167333539 1081455943 /nfs/dbraw/zinc/45/59/43/1081455943.db2.gz XNBNWSPBNBWETA-LJQANCHMSA-N 1 0 354.450 4.318 20 5 FIBDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000610341778 1081496792 /nfs/dbraw/zinc/49/67/92/1081496792.db2.gz XTZCUZKMTIXLKS-DYVFJYSZSA-N 1 0 373.840 4.094 20 5 FIBDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083199340 1081547669 /nfs/dbraw/zinc/54/76/69/1081547669.db2.gz JVORSEZERNLEFY-OCCSQVGLSA-N 1 0 355.369 4.253 20 5 FIBDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420503 1081839474 /nfs/dbraw/zinc/83/94/74/1081839474.db2.gz ZXVAMPVKAJDUGW-LSDHHAIUSA-N 1 0 359.857 4.425 20 5 FIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000580333458 1081858977 /nfs/dbraw/zinc/85/89/77/1081858977.db2.gz OVIWZJNRRZIGCH-UHFFFAOYSA-N 1 0 353.422 4.060 20 5 FIBDRO CC(C)(C)OC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000119002691 1081868364 /nfs/dbraw/zinc/86/83/64/1081868364.db2.gz QZEBWVREDXXOGO-UHFFFAOYSA-N 1 0 373.453 4.072 20 5 FIBDRO C[NH+](C)CCOc1cccc(N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000580400338 1081926178 /nfs/dbraw/zinc/92/61/78/1081926178.db2.gz UUCRATAPFOBDGC-FQEVSTJZSA-N 1 0 355.438 4.025 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000536833899 1081945816 /nfs/dbraw/zinc/94/58/16/1081945816.db2.gz OREOBBCAQAJXSZ-XAMWDVODSA-N 1 0 366.461 4.460 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000536850036 1081947361 /nfs/dbraw/zinc/94/73/61/1081947361.db2.gz FDDZIHWCDXBICM-HUUCEWRRSA-N 1 0 350.484 4.157 20 5 FIBDRO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCOC1 ZINC000463031559 1081983083 /nfs/dbraw/zinc/98/30/83/1081983083.db2.gz VWMAPDJCNZRRNJ-CYBMUJFWSA-N 1 0 350.802 4.119 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000471602380 1082047325 /nfs/dbraw/zinc/04/73/25/1082047325.db2.gz NSCFLMZQGXWVDB-LZJOCLMNSA-N 1 0 355.482 4.197 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471611378 1082090394 /nfs/dbraw/zinc/09/03/94/1082090394.db2.gz PYNUIBZPFRDIDE-QYWGDWMGSA-N 1 0 371.481 4.336 20 5 FIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC001167433373 1082125058 /nfs/dbraw/zinc/12/50/58/1082125058.db2.gz CEFZBHBXLILICZ-QGZVFWFLSA-N 1 0 358.413 4.067 20 5 FIBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000175847539 1082131189 /nfs/dbraw/zinc/13/11/89/1082131189.db2.gz LKWLIPZZDBMRQP-XJKSGUPXSA-N 1 0 366.870 4.398 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000510364548 1082296698 /nfs/dbraw/zinc/29/66/98/1082296698.db2.gz QCMHHYCXYKTSEC-UXBLZVDNSA-N 1 0 366.461 4.332 20 5 FIBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2cccc(C)c2C)c([N+](=O)[O-])c1 ZINC001167464512 1082596743 /nfs/dbraw/zinc/59/67/43/1082596743.db2.gz NHUAUYCVZWOCCM-LJQANCHMSA-N 1 0 370.449 4.436 20 5 FIBDRO C[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccncc1 ZINC000610517701 1082730037 /nfs/dbraw/zinc/73/00/37/1082730037.db2.gz HPYQZLRSRJTGEG-ZDUSSCGKSA-N 1 0 354.435 4.007 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000157450642 1082840069 /nfs/dbraw/zinc/84/00/69/1082840069.db2.gz XYKRUABHUMYOAR-SUMWQHHRSA-N 1 0 374.437 4.423 20 5 FIBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000060659034 1082963176 /nfs/dbraw/zinc/96/31/76/1082963176.db2.gz ILSPPBXVIMZFFF-CYBMUJFWSA-N 1 0 363.483 4.050 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000471780940 1082982090 /nfs/dbraw/zinc/98/20/90/1082982090.db2.gz OGFZRKMHHSAFTH-CYBMUJFWSA-N 1 0 350.365 4.398 20 5 FIBDRO Cc1c(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000187546988 1083029337 /nfs/dbraw/zinc/02/93/37/1083029337.db2.gz CVZVJHJBZYDZEK-UHFFFAOYSA-N 1 0 367.449 4.144 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000187546785 1083029565 /nfs/dbraw/zinc/02/95/65/1083029565.db2.gz DPKXUTUDOUXGQP-UHFFFAOYSA-N 1 0 367.449 4.144 20 5 FIBDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC000510504103 1083109917 /nfs/dbraw/zinc/10/99/17/1083109917.db2.gz XTXHYRUYKXBRQA-UHFFFAOYSA-N 1 0 368.412 4.189 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCC[C@@H]3Cc3ccccc3)nc2c1 ZINC000610581515 1083207395 /nfs/dbraw/zinc/20/73/95/1083207395.db2.gz OQXOCCXVUMVIKE-MRXNPFEDSA-N 1 0 351.406 4.333 20 5 FIBDRO CCN(CC)C(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000127386945 1083296639 /nfs/dbraw/zinc/29/66/39/1083296639.db2.gz DPTQYVSZTPVUKO-INIZCTEOSA-N 1 0 369.465 4.236 20 5 FIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc2ccccc21 ZINC000179693313 1083608388 /nfs/dbraw/zinc/60/83/88/1083608388.db2.gz SFAGAFRMWHCULX-AWEZNQCLSA-N 1 0 364.401 4.465 20 5 FIBDRO O=[N+]([O-])c1sccc1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000610808054 1083717948 /nfs/dbraw/zinc/71/79/48/1083717948.db2.gz YBNIISUKXWAFJG-SJORKVTESA-N 1 0 357.479 4.147 20 5 FIBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000065876036 1083731330 /nfs/dbraw/zinc/73/13/30/1083731330.db2.gz LMEINISDAPUTHY-UHFFFAOYSA-N 1 0 373.840 4.139 20 5 FIBDRO CCC[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000610818816 1083748038 /nfs/dbraw/zinc/74/80/38/1083748038.db2.gz XZLJGZZSQVOXGT-MLGOLLRUSA-N 1 0 354.410 4.369 20 5 FIBDRO Cc1c(C[NH2+][C@@H]2CCc3c2cccc3Br)cccc1[N+](=O)[O-] ZINC000389407848 1083799639 /nfs/dbraw/zinc/79/96/39/1083799639.db2.gz KNMDHBMIEDXRAE-MRXNPFEDSA-N 1 0 361.239 4.443 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCSC4(CCC4)CC3)o2)c1 ZINC000411862198 1083914762 /nfs/dbraw/zinc/91/47/62/1083914762.db2.gz AVIWNPJQUDWBAD-UHFFFAOYSA-N 1 0 373.478 4.154 20 5 FIBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000317814513 1083955853 /nfs/dbraw/zinc/95/58/53/1083955853.db2.gz IYGBIOPFHPMGHD-LLVKDONJSA-N 1 0 365.227 4.217 20 5 FIBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000178479104 1083982289 /nfs/dbraw/zinc/98/22/89/1083982289.db2.gz XPYFUGBUJVFSKJ-PBHICJAKSA-N 1 0 356.422 4.476 20 5 FIBDRO COCC[C@@H](c1ccccc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001167499444 1084022012 /nfs/dbraw/zinc/02/20/12/1084022012.db2.gz IZYMEECVUUQXFT-NRFANRHFSA-N 1 0 370.449 4.216 20 5 FIBDRO COCC[C@H](c1ccccc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001167499445 1084023262 /nfs/dbraw/zinc/02/32/62/1084023262.db2.gz IZYMEECVUUQXFT-OAQYLSRUSA-N 1 0 370.449 4.216 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCO[C@H]3C3CC3)o2)c(Cl)c1 ZINC000538421627 1084084278 /nfs/dbraw/zinc/08/42/78/1084084278.db2.gz PLBHWGCROPECOJ-WMZOPIPTSA-N 1 0 362.813 4.165 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nn(C)c2ccccc12 ZINC000612829217 1084120727 /nfs/dbraw/zinc/12/07/27/1084120727.db2.gz BBQCRRUOIRFOKF-CQSZACIVSA-N 1 0 370.478 4.142 20 5 FIBDRO CC[NH+](CC)Cc1ccc(-c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)o1 ZINC000612895071 1084179081 /nfs/dbraw/zinc/17/90/81/1084179081.db2.gz UJHMPJIUSXJPHX-UHFFFAOYSA-N 1 0 356.382 4.055 20 5 FIBDRO COc1ccccc1[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])OC(C)C ZINC000472052070 1084190284 /nfs/dbraw/zinc/19/02/84/1084190284.db2.gz BYCZNTUWDAUOFQ-DJGBTNNQSA-N 1 0 370.449 4.373 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCO[C@@H](C(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000538967212 1084270563 /nfs/dbraw/zinc/27/05/63/1084270563.db2.gz CWTGXMUBVZASLB-JLTOFOAXSA-N 1 0 374.437 4.157 20 5 FIBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000157432909 1084381416 /nfs/dbraw/zinc/38/14/16/1084381416.db2.gz UDRRWSFGYQYOCP-UONOGXRCSA-N 1 0 374.437 4.341 20 5 FIBDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000157432738 1084381988 /nfs/dbraw/zinc/38/19/88/1084381988.db2.gz UDRRWSFGYQYOCP-ZIAGYGMSSA-N 1 0 374.437 4.341 20 5 FIBDRO CC(C)(CF)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000472138246 1084472655 /nfs/dbraw/zinc/47/26/55/1084472655.db2.gz KYAFTDJDDFXROZ-UHFFFAOYSA-N 1 0 368.412 4.285 20 5 FIBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C12CCCCC2 ZINC001167539408 1084493823 /nfs/dbraw/zinc/49/38/23/1084493823.db2.gz MQIIWLUUIIIFGX-ROUUACIJSA-N 1 0 350.434 4.294 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2-c2ccnn2C)cc1[N+](=O)[O-] ZINC000511463969 1084515007 /nfs/dbraw/zinc/51/50/07/1084515007.db2.gz OKOLGYUZLZLQIP-OAHLLOKOSA-N 1 0 350.422 4.155 20 5 FIBDRO CN(C)C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000563249734 1084633423 /nfs/dbraw/zinc/63/34/23/1084633423.db2.gz KIPHOGYGOSUOCL-SUQGKYDKSA-N 1 0 359.857 4.154 20 5 FIBDRO COc1cc(N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000381226681 1084637215 /nfs/dbraw/zinc/63/72/15/1084637215.db2.gz XGCRAGMZDYOZJN-GDBMZVCRSA-N 1 0 373.428 4.065 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3c4ccccc4C[C@H]3O)s2)cc1 ZINC000085334332 1084795935 /nfs/dbraw/zinc/79/59/35/1084795935.db2.gz DASOAKDYFZRWCR-QUCCMNQESA-N 1 0 366.442 4.071 20 5 FIBDRO Cc1c(C[NH2+]C2(c3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] ZINC000120030454 1084815276 /nfs/dbraw/zinc/81/52/76/1084815276.db2.gz XHYQXZDNQUWUAC-UHFFFAOYSA-N 1 0 361.239 4.445 20 5 FIBDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000180208870 1084898293 /nfs/dbraw/zinc/89/82/93/1084898293.db2.gz ICFGEBCSSDXXMN-GOSISDBHSA-N 1 0 366.421 4.098 20 5 FIBDRO Cc1c(C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)cccc1[N+](=O)[O-] ZINC000478489138 1084954039 /nfs/dbraw/zinc/95/40/39/1084954039.db2.gz MAYBMBXMBIMRCN-NSHDSACASA-N 1 0 354.328 4.495 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000127696690 1085041952 /nfs/dbraw/zinc/04/19/52/1085041952.db2.gz JILPPTCGBLIWKK-UHFFFAOYSA-N 1 0 374.485 4.130 20 5 FIBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000180313761 1085045545 /nfs/dbraw/zinc/04/55/45/1085045545.db2.gz HQQXNTVFRCHMML-UHFFFAOYSA-N 1 0 373.840 4.139 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC000158612646 1085228763 /nfs/dbraw/zinc/22/87/63/1085228763.db2.gz MCJJECKHVYMEDN-QGZVFWFLSA-N 1 0 374.437 4.252 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)cc1[N+](=O)[O-] ZINC000128011971 1085274942 /nfs/dbraw/zinc/27/49/42/1085274942.db2.gz GINVTEDZUVKXGK-HNNXBMFYSA-N 1 0 370.453 4.284 20 5 FIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000128027957 1085301526 /nfs/dbraw/zinc/30/15/26/1085301526.db2.gz XZYKHSLBNRBKPR-HNNXBMFYSA-N 1 0 370.453 4.284 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](CCO)C2)ccc1Oc1ccc(F)cc1 ZINC000093106845 1085321630 /nfs/dbraw/zinc/32/16/30/1085321630.db2.gz NJSMNSJBRHIOHE-HNNXBMFYSA-N 1 0 374.412 4.121 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000479872010 1085326132 /nfs/dbraw/zinc/32/61/32/1085326132.db2.gz HTEJDOIGECQPJA-QAPCUYQASA-N 1 0 359.495 4.452 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000479872011 1085326838 /nfs/dbraw/zinc/32/68/38/1085326838.db2.gz HTEJDOIGECQPJA-YJBOKZPZSA-N 1 0 359.495 4.452 20 5 FIBDRO COCCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCCC1 ZINC000479877639 1085328315 /nfs/dbraw/zinc/32/83/15/1085328315.db2.gz YDMZKGMZXDFUQE-UHFFFAOYSA-N 1 0 372.412 4.273 20 5 FIBDRO CC[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@@H]1c1ccccc1 ZINC001167601540 1085422407 /nfs/dbraw/zinc/42/24/07/1085422407.db2.gz DHHDGDUOQIJPIH-YJBOKZPZSA-N 1 0 364.449 4.487 20 5 FIBDRO Cc1c(NC(=O)CC[N@H+](Cc2ccccc2F)C2CC2)cccc1[N+](=O)[O-] ZINC000109093056 1085584649 /nfs/dbraw/zinc/58/46/49/1085584649.db2.gz PWMOEMBJDLMTSN-UHFFFAOYSA-N 1 0 371.412 4.036 20 5 FIBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccccc1C ZINC000109105317 1085588405 /nfs/dbraw/zinc/58/84/05/1085588405.db2.gz BQRUETJSEHYWIZ-UHFFFAOYSA-N 1 0 355.438 4.062 20 5 FIBDRO CCC(CC)(CNC(=O)c1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000111634945 1085760591 /nfs/dbraw/zinc/76/05/91/1085760591.db2.gz LRAPVFYJVIFCGJ-INIZCTEOSA-N 1 0 369.465 4.234 20 5 FIBDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000582825324 1085780488 /nfs/dbraw/zinc/78/04/88/1085780488.db2.gz SDEDPXIMNJNZOY-LVXYXVKQSA-N 1 0 370.449 4.347 20 5 FIBDRO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178682270 1085780574 /nfs/dbraw/zinc/78/05/74/1085780574.db2.gz PYRHHUNVWPSLKV-ZIAGYGMSSA-N 1 0 359.401 4.029 20 5 FIBDRO O=[N+]([O-])c1cccc2c(NC3CC[NH+](Cc4ccccc4)CC3)ccnc21 ZINC000394353739 1085853770 /nfs/dbraw/zinc/85/37/70/1085853770.db2.gz BIBSXOHXHYWSGA-UHFFFAOYSA-N 1 0 362.433 4.220 20 5 FIBDRO COc1cc([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)ccc1F ZINC000582869141 1085854811 /nfs/dbraw/zinc/85/48/11/1085854811.db2.gz RMNUOBPWTNUCMN-LBPRGKRZSA-N 1 0 357.385 4.117 20 5 FIBDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c(C)c1OC ZINC000582974533 1085979737 /nfs/dbraw/zinc/97/97/37/1085979737.db2.gz FAWNLKOVSYIPCI-CXAGYDPISA-N 1 0 356.422 4.259 20 5 FIBDRO Cc1ccnc(N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000709632361 1085988671 /nfs/dbraw/zinc/98/86/71/1085988671.db2.gz LLSNNRUHXKCIHE-SFHVURJKSA-N 1 0 354.454 4.155 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000136733076 1086249168 /nfs/dbraw/zinc/24/91/68/1086249168.db2.gz BQSAXEKRIXZYIT-CQSZACIVSA-N 1 0 370.396 4.168 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000535942011 1086289899 /nfs/dbraw/zinc/28/98/99/1086289899.db2.gz FLMBTEITIDQIRA-HWRSSNJWSA-N 1 0 360.479 4.306 20 5 FIBDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000136827732 1086623236 /nfs/dbraw/zinc/62/32/36/1086623236.db2.gz RBZMNQPCIMVYNW-QWHCGFSZSA-N 1 0 364.829 4.101 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 ZINC000512172942 1086882998 /nfs/dbraw/zinc/88/29/98/1086882998.db2.gz QMPUSQQZYVBIRU-OAHLLOKOSA-N 1 0 367.449 4.070 20 5 FIBDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000583895528 1087017441 /nfs/dbraw/zinc/01/74/41/1087017441.db2.gz OSOKZEKNSCWNGF-LSDHHAIUSA-N 1 0 367.449 4.409 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000584021500 1087115448 /nfs/dbraw/zinc/11/54/48/1087115448.db2.gz XKBGRSAEZRJWEU-IPJDOKCGSA-N 1 0 365.433 4.234 20 5 FIBDRO COC[C@H]1CC[N@@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000573214523 1087325073 /nfs/dbraw/zinc/32/50/73/1087325073.db2.gz XOZLJQLCYKRURO-OAHLLOKOSA-N 1 0 362.813 4.261 20 5 FIBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000065674975 1087386381 /nfs/dbraw/zinc/38/63/81/1087386381.db2.gz VQKVQPRSJJVXQY-IRXDYDNUSA-N 1 0 361.489 4.238 20 5 FIBDRO Cc1c(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)cccc1[N+](=O)[O-] ZINC000480458105 1087496765 /nfs/dbraw/zinc/49/67/65/1087496765.db2.gz CFEDEWIEDYJNIX-UHFFFAOYSA-N 1 0 363.417 4.167 20 5 FIBDRO COc1ccc(C[NH2+]Cc2ccnc(Oc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000609440321 1087591390 /nfs/dbraw/zinc/59/13/90/1087591390.db2.gz GPIAQOXPACNSBK-UHFFFAOYSA-N 1 0 365.389 4.081 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000708585552 1087629281 /nfs/dbraw/zinc/62/92/81/1087629281.db2.gz HBSRQXWKLVEXOT-QAPCUYQASA-N 1 0 373.884 4.106 20 5 FIBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000708585553 1087629379 /nfs/dbraw/zinc/62/93/79/1087629379.db2.gz HBSRQXWKLVEXOT-YJBOKZPZSA-N 1 0 373.884 4.106 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000180413839 1087904550 /nfs/dbraw/zinc/90/45/50/1087904550.db2.gz OAYDNLFKTWPDNW-HNNXBMFYSA-N 1 0 352.312 4.271 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2c1cccc2O ZINC000504899406 1087955757 /nfs/dbraw/zinc/95/57/57/1087955757.db2.gz GEKTXKIGZXEYSY-BBRMVZONSA-N 1 0 358.463 4.448 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cnc3ccccc3c2)cc1[N+](=O)[O-] ZINC000504899497 1087956274 /nfs/dbraw/zinc/95/62/74/1087956274.db2.gz HXMAFPSRLRGZNW-CQSZACIVSA-N 1 0 351.406 4.393 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1c(C)noc1C ZINC000504920391 1087973030 /nfs/dbraw/zinc/97/30/30/1087973030.db2.gz OKYAFOWBYDGIDP-SWLSCSKDSA-N 1 0 363.483 4.291 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(c3ccccc3OC)CC2)cc1[N+](=O)[O-] ZINC000504912649 1087980163 /nfs/dbraw/zinc/98/01/63/1087980163.db2.gz YXWBWSHCNZLJDM-OAHLLOKOSA-N 1 0 370.449 4.385 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCn1cnc2ccccc21 ZINC000504911960 1087981842 /nfs/dbraw/zinc/98/18/42/1087981842.db2.gz OFTMOZIROIIFMX-OAHLLOKOSA-N 1 0 370.478 4.105 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H](CO)c2ccccc2)c2ccccc2)c1 ZINC000180719838 1088044399 /nfs/dbraw/zinc/04/43/99/1088044399.db2.gz JRWGDADDOVTGLE-IFMALSPDSA-N 1 0 362.429 4.050 20 5 FIBDRO CC[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000181011924 1088220829 /nfs/dbraw/zinc/22/08/29/1088220829.db2.gz JIDWIKOIICXDEC-INIZCTEOSA-N 1 0 368.462 4.397 20 5 FIBDRO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000513831258 1088431222 /nfs/dbraw/zinc/43/12/22/1088431222.db2.gz NHCYRIZFEPNJGG-SUPRNMTFSA-N 1 0 358.482 4.099 20 5 FIBDRO COC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000513824948 1088453190 /nfs/dbraw/zinc/45/31/90/1088453190.db2.gz SWVKXLSRMQWSKD-JQHSSLGASA-N 1 0 358.438 4.185 20 5 FIBDRO Cn1cc(C[NH2+]Cc2ccc(Cl)cc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189195637 1088454290 /nfs/dbraw/zinc/45/42/90/1088454290.db2.gz WWEKUQCKRAUCPG-UHFFFAOYSA-N 1 0 374.803 4.078 20 5 FIBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C(c3ccccc3)c3ccccc3)C2)nc1 ZINC000514085615 1088728586 /nfs/dbraw/zinc/72/85/86/1088728586.db2.gz YNQIDVWWYAJXMX-LJQANCHMSA-N 1 0 374.444 4.266 20 5 FIBDRO CC(C)(C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccnc1 ZINC000414557549 1088824795 /nfs/dbraw/zinc/82/47/95/1088824795.db2.gz LURGVHURUYDIBU-UHFFFAOYSA-N 1 0 351.406 4.317 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000434891567 1089097741 /nfs/dbraw/zinc/09/77/41/1089097741.db2.gz IYAINUNAZZKEDM-XYJFISCASA-N 1 0 367.449 4.108 20 5 FIBDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000435039234 1089215141 /nfs/dbraw/zinc/21/51/41/1089215141.db2.gz CQVYDKANKNFWMC-ZBFHGGJFSA-N 1 0 351.406 4.189 20 5 FIBDRO COc1ccc(C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)cc1 ZINC000435046512 1089233300 /nfs/dbraw/zinc/23/33/00/1089233300.db2.gz STCYYQHMMDJMDZ-UHFFFAOYSA-N 1 0 367.405 4.124 20 5 FIBDRO Cc1ccn(C2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)n1 ZINC000435055720 1089244850 /nfs/dbraw/zinc/24/48/50/1089244850.db2.gz DGXJODSWRYLWDB-UHFFFAOYSA-N 1 0 366.421 4.197 20 5 FIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC(c2ccccc2)C1 ZINC000549235877 1089315941 /nfs/dbraw/zinc/31/59/41/1089315941.db2.gz PVQJYBFJEHTUKI-KLHKWILBSA-N 1 0 367.449 4.095 20 5 FIBDRO Cc1c(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cccc1[N+](=O)[O-] ZINC000103232836 1090071381 /nfs/dbraw/zinc/07/13/81/1090071381.db2.gz FKZMMJQPZWXHLR-KRWDZBQOSA-N 1 0 374.485 4.023 20 5 FIBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc(F)cc1 ZINC000104662294 1090288948 /nfs/dbraw/zinc/28/89/48/1090288948.db2.gz BNNKGTKQEQXANW-UHFFFAOYSA-N 1 0 355.369 4.063 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)CCCC2 ZINC000417316011 1090797640 /nfs/dbraw/zinc/79/76/40/1090797640.db2.gz AGQDIAUAMDMSFB-INIZCTEOSA-N 1 0 363.364 4.149 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCCC3)nc1)CCCC2 ZINC000417307600 1090800593 /nfs/dbraw/zinc/80/05/93/1090800593.db2.gz DRRKRCQRVMUVSH-FQEVSTJZSA-N 1 0 366.465 4.147 20 5 FIBDRO C[S@](=O)Cc1ccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417332706 1090821415 /nfs/dbraw/zinc/82/14/15/1090821415.db2.gz OLJNIRFNZOITCM-IBVKSMDESA-N 1 0 372.490 4.031 20 5 FIBDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236867932 1090938906 /nfs/dbraw/zinc/93/89/06/1090938906.db2.gz ZEFDLPJICOYJLP-BZNIZROVSA-N 1 0 352.818 4.005 20 5 FIBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1cccc(F)c1 ZINC000500120480 1091051958 /nfs/dbraw/zinc/05/19/58/1091051958.db2.gz XSNWPMSPAQRCGL-JLTOFOAXSA-N 1 0 371.412 4.146 20 5 FIBDRO CC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCOCC1 ZINC000500241642 1091138734 /nfs/dbraw/zinc/13/87/34/1091138734.db2.gz JWNQSOMPUVVTMP-UHFFFAOYSA-N 1 0 364.829 4.415 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000053644338 1091282812 /nfs/dbraw/zinc/28/28/12/1091282812.db2.gz ZCTKSVWRECDQSV-IBGZPJMESA-N 1 0 373.428 4.358 20 5 FIBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000110934952 1091726195 /nfs/dbraw/zinc/72/61/95/1091726195.db2.gz ZWQQYUQOZKYUMH-UHFFFAOYSA-N 1 0 354.454 4.142 20 5 FIBDRO Cc1ccccc1[C@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000728900685 1091800699 /nfs/dbraw/zinc/80/06/99/1091800699.db2.gz PHFNSKKZMIPOKR-SFHVURJKSA-N 1 0 362.433 4.214 20 5 FIBDRO COc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)C2)cc1F ZINC000500508706 1092165862 /nfs/dbraw/zinc/16/58/62/1092165862.db2.gz QLIYVQXVOPLKAW-HDJSIYSDSA-N 1 0 364.804 4.432 20 5 FIBDRO Cc1noc([C@H]2CCCN2Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000572526785 1092280472 /nfs/dbraw/zinc/28/04/72/1092280472.db2.gz MFIDDIYISMUTJA-MRXNPFEDSA-N 1 0 370.434 4.352 20 5 FIBDRO COc1cc(C[N@@H+]2CC3(CCC3)C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000432788817 1092367284 /nfs/dbraw/zinc/36/72/84/1092367284.db2.gz MRAQEAHVPGUMEW-GFCCVEGCSA-N 1 0 370.396 4.012 20 5 FIBDRO Cc1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000500758682 1092518608 /nfs/dbraw/zinc/51/86/08/1092518608.db2.gz MJTKNKRTPUJQOG-OAHLLOKOSA-N 1 0 367.449 4.387 20 5 FIBDRO Cc1cccc(CCC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000512496885 1092587279 /nfs/dbraw/zinc/58/72/79/1092587279.db2.gz OICDNFDZMZZAMK-UHFFFAOYSA-N 1 0 351.406 4.281 20 5 FIBDRO Cc1cc(N2CCC(Cc3cccnc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543976675 1092709059 /nfs/dbraw/zinc/70/90/59/1092709059.db2.gz YEQSQSCBMCVEOJ-UHFFFAOYSA-N 1 0 362.433 4.306 20 5 FIBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000521588244 1092783363 /nfs/dbraw/zinc/78/33/63/1092783363.db2.gz YFZVCGYXTASTNY-UHFFFAOYSA-N 1 0 367.449 4.152 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442846945 1092791842 /nfs/dbraw/zinc/79/18/42/1092791842.db2.gz PHFLHZVGKNINOX-CQSZACIVSA-N 1 0 355.825 4.029 20 5 FIBDRO CCOc1ccc2c(c1)[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])CCO2 ZINC000614101450 1092935999 /nfs/dbraw/zinc/93/59/99/1092935999.db2.gz ONAULCLFRXHHIW-SUQGKYDKSA-N 1 0 354.406 4.120 20 5 FIBDRO C[N@H+](CCc1cccc(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1)C1CC1 ZINC000573741118 1092967093 /nfs/dbraw/zinc/96/70/93/1092967093.db2.gz DWZCJOOKXYNWCF-HXUWFJFHSA-N 1 0 351.450 4.331 20 5 FIBDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)CCO2 ZINC000614160947 1093015157 /nfs/dbraw/zinc/01/51/57/1093015157.db2.gz YDHXIAUAQBGRRH-AUUYWEPGSA-N 1 0 356.422 4.476 20 5 FIBDRO CN1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000522013415 1093028015 /nfs/dbraw/zinc/02/80/15/1093028015.db2.gz GPWFEEFNVUBUOT-WIBUTAKZSA-N 1 0 371.506 4.316 20 5 FIBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000433063848 1093173646 /nfs/dbraw/zinc/17/36/46/1093173646.db2.gz ZKJOABHHUIAFFD-AEFFLSMTSA-N 1 0 367.449 4.110 20 5 FIBDRO CCc1ccc([C@@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cc1 ZINC000433057246 1093174515 /nfs/dbraw/zinc/17/45/15/1093174515.db2.gz KPBWRVNBHJZJQG-MRXNPFEDSA-N 1 0 351.406 4.288 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCOc3ccccc3F)cs2)c1 ZINC000522196399 1093200729 /nfs/dbraw/zinc/20/07/29/1093200729.db2.gz PPZKMHSEUDEJMX-UHFFFAOYSA-N 1 0 373.409 4.026 20 5 FIBDRO CCCOc1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000433122258 1093273295 /nfs/dbraw/zinc/27/32/95/1093273295.db2.gz VIJCOOFDWALJKJ-SFHVURJKSA-N 1 0 355.438 4.291 20 5 FIBDRO CN(C)[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000433141539 1093326241 /nfs/dbraw/zinc/32/62/41/1093326241.db2.gz AKZKSISAWAIKLW-ROUUACIJSA-N 1 0 359.495 4.271 20 5 FIBDRO Cc1ccnc(NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000522417891 1093552760 /nfs/dbraw/zinc/55/27/60/1093552760.db2.gz VOSSASXPXMRXDM-INIZCTEOSA-N 1 0 354.454 4.285 20 5 FIBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419325688 1093635566 /nfs/dbraw/zinc/63/55/66/1093635566.db2.gz LIYIVCCLLKWOPN-CVEARBPZSA-N 1 0 358.442 4.291 20 5 FIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000429964889 1093684627 /nfs/dbraw/zinc/68/46/27/1093684627.db2.gz CHRYLJAFDLHOCE-HNAYVOBHSA-N 1 0 370.453 4.025 20 5 FIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000185369026 1093728765 /nfs/dbraw/zinc/72/87/65/1093728765.db2.gz JLMBVLHXJJBRKL-KRWDZBQOSA-N 1 0 369.465 4.172 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](n3cccn3)C2)s1 ZINC000513123133 1093861599 /nfs/dbraw/zinc/86/15/99/1093861599.db2.gz RVRFOMBACXTDCO-HNNXBMFYSA-N 1 0 368.462 4.357 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473512384 1093905712 /nfs/dbraw/zinc/90/57/12/1093905712.db2.gz HSSHTZPEROQQEL-DLBZAZTESA-N 1 0 368.481 4.234 20 5 FIBDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000513256909 1094040131 /nfs/dbraw/zinc/04/01/31/1094040131.db2.gz OKOGUIDEMRCSBI-KDOFPFPSSA-N 1 0 364.405 4.228 20 5 FIBDRO COCC1CC[NH+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000513496139 1094163027 /nfs/dbraw/zinc/16/30/27/1094163027.db2.gz ADTDPUAAAAOJMM-UHFFFAOYSA-N 1 0 369.465 4.221 20 5 FIBDRO O=C(CC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000500989011 1094403284 /nfs/dbraw/zinc/40/32/84/1094403284.db2.gz JVSCMJRPDACMND-QFQMRYFISA-N 1 0 365.433 4.101 20 5 FIBDRO C[NH+](C)CCc1ccccc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000474628328 1094466569 /nfs/dbraw/zinc/46/65/69/1094466569.db2.gz JZKWSYMGUWPXIP-UHFFFAOYSA-N 1 0 369.465 4.249 20 5 FIBDRO C[C@H](c1ccsc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000185489424 1094472114 /nfs/dbraw/zinc/47/21/14/1094472114.db2.gz OBCOIAMCBDWEER-CQSZACIVSA-N 1 0 368.462 4.088 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C=C[C@H](CO)C2)ccc1Oc1ccccc1Cl ZINC000129687214 1094507532 /nfs/dbraw/zinc/50/75/32/1094507532.db2.gz HLHKSRJUABHKCZ-LSDHHAIUSA-N 1 0 374.824 4.067 20 5 FIBDRO O=C(CC[N@H+](Cc1ccc(Cl)cc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000501111702 1094513275 /nfs/dbraw/zinc/51/32/75/1094513275.db2.gz NFTNEXUQOSURTA-UHFFFAOYSA-N 1 0 373.840 4.241 20 5 FIBDRO Cc1ccc([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c(C)c1 ZINC000501844210 1094958788 /nfs/dbraw/zinc/95/87/88/1094958788.db2.gz RWVULVBHQUSCSP-QGZVFWFLSA-N 1 0 367.449 4.030 20 5 FIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420959454 1095200599 /nfs/dbraw/zinc/20/05/99/1095200599.db2.gz DZJFBIIEDPQCMH-CZUORRHYSA-N 1 0 356.426 4.218 20 5 FIBDRO CC(C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)c1ccsc1 ZINC000421009250 1095222692 /nfs/dbraw/zinc/22/26/92/1095222692.db2.gz MXRYKBNAVGGPBM-CQSZACIVSA-N 1 0 361.467 4.457 20 5 FIBDRO COc1cc(C)c(C[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000502254855 1095273737 /nfs/dbraw/zinc/27/37/37/1095273737.db2.gz WRGJACYNWBURNZ-HUUCEWRRSA-N 1 0 358.438 4.202 20 5 FIBDRO COC[C@@H](C)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000237167249 1095364002 /nfs/dbraw/zinc/36/40/02/1095364002.db2.gz ADTWBJPWYQUFHR-GFCCVEGCSA-N 1 0 350.802 4.165 20 5 FIBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1(C)C ZINC000237165669 1095364328 /nfs/dbraw/zinc/36/43/28/1095364328.db2.gz SGBOPYQSEBIKEZ-YJBOKZPZSA-N 1 0 361.467 4.012 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000502342895 1095377968 /nfs/dbraw/zinc/37/79/68/1095377968.db2.gz DGKBNSLFCIGBPF-MOTZXUDYSA-N 1 0 366.465 4.020 20 5 FIBDRO COc1cc(C)c(C[C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000502410255 1095433063 /nfs/dbraw/zinc/43/30/63/1095433063.db2.gz UYOQBMGGJFVTHT-LSDHHAIUSA-N 1 0 358.438 4.202 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccncc1OCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000281160190 1095499109 /nfs/dbraw/zinc/49/91/09/1095499109.db2.gz BKQNNJPOHBJKGD-OAHLLOKOSA-N 1 0 369.343 4.172 20 5 FIBDRO CC[C@H]1C[C@]1([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(C)c1 ZINC000502482326 1095511937 /nfs/dbraw/zinc/51/19/37/1095511937.db2.gz QGAICAFVRCNIBW-VBKZILBWSA-N 1 0 350.422 4.195 20 5 FIBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000421562554 1095702674 /nfs/dbraw/zinc/70/26/74/1095702674.db2.gz YEBZYIVWSZPLSR-GOSISDBHSA-N 1 0 353.422 4.013 20 5 FIBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000522849844 1095781194 /nfs/dbraw/zinc/78/11/94/1095781194.db2.gz ZTWPCHDYUDWWBM-AWEZNQCLSA-N 1 0 368.865 4.024 20 5 FIBDRO COCC[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)C ZINC000509963739 1096331098 /nfs/dbraw/zinc/33/10/98/1096331098.db2.gz LUTGIYQLRSCDOL-INIZCTEOSA-N 1 0 363.483 4.259 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503411792 1096390561 /nfs/dbraw/zinc/39/05/61/1096390561.db2.gz JMIXDNUGYNKXJC-DJJJIMSYSA-N 1 0 373.840 4.020 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC12CCOCC2 ZINC000503889224 1096584819 /nfs/dbraw/zinc/58/48/19/1096584819.db2.gz WDORSXWETOYURB-QAPCUYQASA-N 1 0 364.511 4.404 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000515432794 1098588591 /nfs/dbraw/zinc/58/85/91/1098588591.db2.gz JUPBOVNFWUHWAX-CTNGQTDRSA-N 1 0 364.445 4.266 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CC3CC3)C3CCCCC3)n2)cc1 ZINC000532955634 1098641433 /nfs/dbraw/zinc/64/14/33/1098641433.db2.gz STIMEFPNFDKHBC-UHFFFAOYSA-N 1 0 356.426 4.190 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000532978555 1098648926 /nfs/dbraw/zinc/64/89/26/1098648926.db2.gz VQDBAYMHZONZSK-FUHWJXTLSA-N 1 0 367.449 4.110 20 5 FIBDRO O=C(CC[NH2+][C@H](c1ccc(F)cc1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000533054870 1098721804 /nfs/dbraw/zinc/72/18/04/1098721804.db2.gz YCSIMZMTBRGGQZ-FQEVSTJZSA-N 1 0 371.412 4.194 20 5 FIBDRO CCC[N@H+](CC)Cc1ccc(C(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000533148526 1098820829 /nfs/dbraw/zinc/82/08/29/1098820829.db2.gz QVDWZCOLBLPTRB-UHFFFAOYSA-N 1 0 355.438 4.103 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ccc3c(c2)COC3)o1 ZINC000533201579 1098863162 /nfs/dbraw/zinc/86/31/62/1098863162.db2.gz QDZHCPJUBMONMY-UHFFFAOYSA-N 1 0 350.374 4.175 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000533517498 1099137562 /nfs/dbraw/zinc/13/75/62/1099137562.db2.gz IXLPZVKLASFYKI-UHFFFAOYSA-N 1 0 370.449 4.178 20 5 FIBDRO COc1ccc(C[NH2+]C2(C)CCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000533637107 1099248040 /nfs/dbraw/zinc/24/80/40/1099248040.db2.gz KNXJATNOVAFUPE-UHFFFAOYSA-N 1 0 356.422 4.215 20 5 FIBDRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237419013 1099496669 /nfs/dbraw/zinc/49/66/69/1099496669.db2.gz NQVCGLZXHQEIJP-GFCCVEGCSA-N 1 0 356.451 4.216 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccncc1OC ZINC000437071913 1099590519 /nfs/dbraw/zinc/59/05/19/1099590519.db2.gz IZGUOVIVFRAJHZ-ZIAGYGMSSA-N 1 0 361.467 4.220 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)s1 ZINC000428576196 1099591869 /nfs/dbraw/zinc/59/18/69/1099591869.db2.gz WFPCESZUDQDAGO-CQSZACIVSA-N 1 0 366.442 4.286 20 5 FIBDRO Cc1ccc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000516815282 1099824598 /nfs/dbraw/zinc/82/45/98/1099824598.db2.gz MLUQKWWPAZJJQT-JOCHJYFZSA-N 1 0 365.477 4.001 20 5 FIBDRO C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000516814878 1099824770 /nfs/dbraw/zinc/82/47/70/1099824770.db2.gz JAVIPOMJYVCKRC-KDOFPFPSSA-N 1 0 359.495 4.095 20 5 FIBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000536667727 1100126407 /nfs/dbraw/zinc/12/64/07/1100126407.db2.gz OJWHBZHYXGCNNB-STQMWFEESA-N 1 0 364.829 4.244 20 5 FIBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3c(Cl)oc4ccccc43)C2)nc1 ZINC000536682495 1100149576 /nfs/dbraw/zinc/14/95/76/1100149576.db2.gz RXZQAOAGNHXCQT-GFCCVEGCSA-N 1 0 372.812 4.076 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000536838432 1100349053 /nfs/dbraw/zinc/34/90/53/1100349053.db2.gz KMNKCJQMCFBXAY-INIZCTEOSA-N 1 0 364.449 4.106 20 5 FIBDRO COC(=O)CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000536858926 1100374528 /nfs/dbraw/zinc/37/45/28/1100374528.db2.gz PMXSJHWMVLCTCH-BEFAXECRSA-N 1 0 356.422 4.248 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000536870405 1100388863 /nfs/dbraw/zinc/38/88/63/1100388863.db2.gz OSTRVKXSPOLXGQ-GUYCJALGSA-N 1 0 373.840 4.013 20 5 FIBDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000536876603 1100396984 /nfs/dbraw/zinc/39/69/84/1100396984.db2.gz OPKFWAGONYKQOV-CHWSQXEVSA-N 1 0 371.462 4.495 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(C3CC3)cc2F)n1 ZINC000425957366 1100494577 /nfs/dbraw/zinc/49/45/77/1100494577.db2.gz BHHUSOOHWSTZRN-MSOLQXFVSA-N 1 0 358.417 4.081 20 5 FIBDRO CC(=O)c1cc(NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000517767309 1100649499 /nfs/dbraw/zinc/64/94/99/1100649499.db2.gz TZMMSPWXMOPRCF-OAQYLSRUSA-N 1 0 367.449 4.120 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000438719043 1100882447 /nfs/dbraw/zinc/88/24/47/1100882447.db2.gz CASCVJDJVKOPIP-IBGZPJMESA-N 1 0 355.438 4.219 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCC([NH+]4CCCC4)CC3)s2)cc1 ZINC000506434139 1101011313 /nfs/dbraw/zinc/01/13/13/1101011313.db2.gz QRZJFAOLEFRQLR-UHFFFAOYSA-N 1 0 371.506 4.384 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3cc(F)cc(F)c3)o2)cc1 ZINC000518273992 1101057210 /nfs/dbraw/zinc/05/72/10/1101057210.db2.gz HYSAGAZLXBKHMF-UHFFFAOYSA-N 1 0 358.344 4.465 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1c(C)[nH]c2ccccc21 ZINC000518278869 1101062264 /nfs/dbraw/zinc/06/22/64/1101062264.db2.gz JVYFMBPOCHLBNV-UHFFFAOYSA-N 1 0 353.422 4.116 20 5 FIBDRO CC(C)c1nnc(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000426289987 1101215749 /nfs/dbraw/zinc/21/57/49/1101215749.db2.gz NXAGFFJVISTCRV-HNNXBMFYSA-N 1 0 360.483 4.124 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000439312461 1101326164 /nfs/dbraw/zinc/32/61/64/1101326164.db2.gz FDJUYLGLSILTPI-SJLPKXTDSA-N 1 0 367.449 4.110 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000426347834 1101329244 /nfs/dbraw/zinc/32/92/44/1101329244.db2.gz WLDGAWRYBGMVEF-PJIJBLCYSA-N 1 0 360.479 4.270 20 5 FIBDRO C[C@H]1C[C@H](c2ccccc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000439316096 1101329756 /nfs/dbraw/zinc/32/97/56/1101329756.db2.gz JDLMFIYTPAWNAH-GOEBONIOSA-N 1 0 350.422 4.239 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1[N+](=O)[O-] ZINC000536908042 1101333336 /nfs/dbraw/zinc/33/33/36/1101333336.db2.gz CVFRGOSNSNHMCO-KGLIPLIRSA-N 1 0 353.422 4.200 20 5 FIBDRO CCSc1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000426350528 1101336327 /nfs/dbraw/zinc/33/63/27/1101336327.db2.gz HRLTVHCJYFVFCN-DLBZAZTESA-N 1 0 360.483 4.177 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000537041701 1101417655 /nfs/dbraw/zinc/41/76/55/1101417655.db2.gz XRKWIJJVCNRVJY-LJQANCHMSA-N 1 0 355.438 4.219 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1cc2cccc(F)c2o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000475711766 1101422382 /nfs/dbraw/zinc/42/23/82/1101422382.db2.gz DCHBCQPQYPABHM-RYUDHWBXSA-N 1 0 371.368 4.158 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1cc2cccc(F)c2o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000475711764 1101423713 /nfs/dbraw/zinc/42/37/13/1101423713.db2.gz DCHBCQPQYPABHM-NWDGAFQWSA-N 1 0 371.368 4.158 20 5 FIBDRO CCC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)c(Cl)c1 ZINC000537053846 1101428999 /nfs/dbraw/zinc/42/89/99/1101428999.db2.gz GGVLYHINCGCFRE-CQSZACIVSA-N 1 0 357.241 4.229 20 5 FIBDRO CCSc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000537102924 1101449468 /nfs/dbraw/zinc/44/94/68/1101449468.db2.gz AROXZMKLQLERHM-AWEZNQCLSA-N 1 0 373.478 4.305 20 5 FIBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1-c1ccc(Cl)cc1 ZINC000537087193 1101455397 /nfs/dbraw/zinc/45/53/97/1101455397.db2.gz FYDLCBRAORIZME-AWEZNQCLSA-N 1 0 370.840 4.463 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000537179225 1101523050 /nfs/dbraw/zinc/52/30/50/1101523050.db2.gz YOBKWIDUTNVIAD-AEFFLSMTSA-N 1 0 372.465 4.117 20 5 FIBDRO COc1ccc(C[NH2+]CCc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000518781919 1101582402 /nfs/dbraw/zinc/58/24/02/1101582402.db2.gz DQBQFHVCRHKVDX-UHFFFAOYSA-N 1 0 355.221 4.243 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCSCC2)ccc1Oc1ccc(F)cc1 ZINC000508640397 1101625819 /nfs/dbraw/zinc/62/58/19/1101625819.db2.gz PANHZGCDSPHJTJ-UHFFFAOYSA-N 1 0 362.426 4.465 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000506672328 1101742395 /nfs/dbraw/zinc/74/23/95/1101742395.db2.gz AZDNWFZADZRCTO-ALCCZGGFSA-N 1 0 362.433 4.364 20 5 FIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000519033473 1101851920 /nfs/dbraw/zinc/85/19/20/1101851920.db2.gz OOTVNNJZONQBNN-UHFFFAOYSA-N 1 0 370.840 4.313 20 5 FIBDRO Cc1nc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cs1 ZINC000237717325 1102122068 /nfs/dbraw/zinc/12/20/68/1102122068.db2.gz NBOYPVAXGMDBSQ-UHFFFAOYSA-N 1 0 359.476 4.421 20 5 FIBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001168192118 1102256776 /nfs/dbraw/zinc/25/67/76/1102256776.db2.gz IDSBPNXSXASJIP-CVEARBPZSA-N 1 0 373.884 4.343 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc(Cl)s1 ZINC000026250761 1102303092 /nfs/dbraw/zinc/30/30/92/1102303092.db2.gz DCAFEVOKCHUBNT-UHFFFAOYSA-N 1 0 367.858 4.079 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000532450941 1102341155 /nfs/dbraw/zinc/34/11/55/1102341155.db2.gz PRBNFOVHTHQRCZ-SFHVURJKSA-N 1 0 367.493 4.261 20 5 FIBDRO CC[C@H](N[C@@H](c1nccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000532452191 1102342879 /nfs/dbraw/zinc/34/28/79/1102342879.db2.gz BFACZODNGMQKNN-RBUKOAKNSA-N 1 0 350.422 4.159 20 5 FIBDRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)N2CCCC2)o1 ZINC000532488438 1102427997 /nfs/dbraw/zinc/42/79/97/1102427997.db2.gz AGGLUZUQDIJZJG-LPHOPBHVSA-N 1 0 357.454 4.292 20 5 FIBDRO COC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000532487811 1102428151 /nfs/dbraw/zinc/42/81/51/1102428151.db2.gz NRUVVTZJCZJLPO-KRWDZBQOSA-N 1 0 368.355 4.133 20 5 FIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000550847327 1102542511 /nfs/dbraw/zinc/54/25/11/1102542511.db2.gz LHOSVLKNIQVIRW-MGPUTAFESA-N 1 0 367.449 4.095 20 5 FIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000532638031 1102627151 /nfs/dbraw/zinc/62/71/51/1102627151.db2.gz WNRDBFYDBIWSQW-OAHLLOKOSA-N 1 0 357.479 4.310 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000532637963 1102641064 /nfs/dbraw/zinc/64/10/64/1102641064.db2.gz MPKKSBRSUJZIMQ-OAHLLOKOSA-N 1 0 357.479 4.310 20 5 FIBDRO C[C@@H](F)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000550271083 1102900242 /nfs/dbraw/zinc/90/02/42/1102900242.db2.gz HBLBMKBIXYJCEW-SNVBAGLBSA-N 1 0 371.206 4.455 20 5 FIBDRO Cc1ccc(C)c([C@H](C)[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000507201539 1103199977 /nfs/dbraw/zinc/19/99/77/1103199977.db2.gz GPDYNMKWCCTLRB-HNNXBMFYSA-N 1 0 356.422 4.271 20 5 FIBDRO CC(C)n1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000532801853 1103221023 /nfs/dbraw/zinc/22/10/23/1103221023.db2.gz FVJAKGUHHXPBNM-FCEWJHQRSA-N 1 0 356.470 4.434 20 5 FIBDRO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000192740472 1103421821 /nfs/dbraw/zinc/42/18/21/1103421821.db2.gz SDZOGGFEBWPORC-CJNGLKHVSA-N 1 0 372.421 4.401 20 5 FIBDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1csc([N+](=O)[O-])c1 ZINC000507616221 1103551090 /nfs/dbraw/zinc/55/10/90/1103551090.db2.gz KIXOZYBMQJMEFH-UHFFFAOYSA-N 1 0 356.451 4.111 20 5 FIBDRO COc1ccc(C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](C)C2CC2)cc1 ZINC000507711516 1103650235 /nfs/dbraw/zinc/65/02/35/1103650235.db2.gz ZDGIHOAVURZMCI-MRXNPFEDSA-N 1 0 370.449 4.283 20 5 FIBDRO C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000455904189 1103761225 /nfs/dbraw/zinc/76/12/25/1103761225.db2.gz GTCCHQQGIGJIRP-BFUOFWGJSA-N 1 0 368.437 4.026 20 5 FIBDRO CC(C)C[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000538180107 1104012777 /nfs/dbraw/zinc/01/27/77/1104012777.db2.gz RQLXCRRSVZVADV-OXQOHEQNSA-N 1 0 369.465 4.149 20 5 FIBDRO CSc1ccc([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000467421155 1104730541 /nfs/dbraw/zinc/73/05/41/1104730541.db2.gz WFXHOEREEDKGQG-KBPBESRZSA-N 1 0 373.478 4.385 20 5 FIBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]2CCCC[C@@H]21 ZINC000543906032 1104791042 /nfs/dbraw/zinc/79/10/42/1104791042.db2.gz QRAAUPGEECQNQG-ZTFGCOKTSA-N 1 0 355.438 4.303 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H](Cc4ccccc4)C3)co2)cc1 ZINC000536365419 1104819846 /nfs/dbraw/zinc/81/98/46/1104819846.db2.gz JVJPJGLTQTVYMV-KRWDZBQOSA-N 1 0 363.417 4.314 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000067401303 1104990003 /nfs/dbraw/zinc/99/00/03/1104990003.db2.gz GFNBLGXEMJLYAC-FQEVSTJZSA-N 1 0 374.868 4.236 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@@H]3CC[C@@H](O)C3)cc2[N+](=O)[O-])cc1 ZINC000473994679 1105000459 /nfs/dbraw/zinc/00/04/59/1105000459.db2.gz KHDAQUKUXPOIQV-NVXWUHKLSA-N 1 0 372.490 4.305 20 5 FIBDRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000574712218 1105031024 /nfs/dbraw/zinc/03/10/24/1105031024.db2.gz NKBYIBLMRRQJFS-UHFFFAOYSA-N 1 0 373.453 4.068 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 ZINC000015504408 1105171331 /nfs/dbraw/zinc/17/13/31/1105171331.db2.gz UMDXDLHVVJFUKQ-KZULUSFZSA-N 1 0 373.840 4.316 20 5 FIBDRO C[C@@H]([NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 ZINC000015504411 1105171379 /nfs/dbraw/zinc/17/13/79/1105171379.db2.gz UMDXDLHVVJFUKQ-XIKOKIGWSA-N 1 0 373.840 4.316 20 5 FIBDRO CCC[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000427981669 1105329799 /nfs/dbraw/zinc/32/97/99/1105329799.db2.gz WSNKKCYWSKLNEC-SFHVURJKSA-N 1 0 353.422 4.197 20 5 FIBDRO CCc1ccc([C@H]([NH2+]C[C@@H]2CCC[C@@H]2OC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544381791 1106901343 /nfs/dbraw/zinc/90/13/43/1106901343.db2.gz GHNLXBGIXAZRGY-ZAAXVRCTSA-N 1 0 358.438 4.244 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000530366107 1106987156 /nfs/dbraw/zinc/98/71/56/1106987156.db2.gz JGXOHOKLQYFAFL-QGZVFWFLSA-N 1 0 353.466 4.470 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000451358073 1107051921 /nfs/dbraw/zinc/05/19/21/1107051921.db2.gz ZQLCWKXOLAVBEB-USXIJHARSA-N 1 0 372.387 4.129 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CCC23CCCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000451462826 1107117424 /nfs/dbraw/zinc/11/74/24/1107117424.db2.gz WMTXJNWDPULQOP-OAHLLOKOSA-N 1 0 356.369 4.017 20 5 FIBDRO Cc1cc(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000531304729 1107748250 /nfs/dbraw/zinc/74/82/50/1107748250.db2.gz RDKVUPRIQVTGFE-QGZVFWFLSA-N 1 0 360.845 4.201 20 5 FIBDRO Cc1ccc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)cc1[N+](=O)[O-] ZINC000520207586 1108022277 /nfs/dbraw/zinc/02/22/77/1108022277.db2.gz CNFIDQFJAYGHHU-HXUWFJFHSA-N 1 0 373.884 4.483 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)N1CCc2sccc2C1 ZINC000531698423 1108077350 /nfs/dbraw/zinc/07/73/50/1108077350.db2.gz AWKPAJNZOOXLGR-CABCVRRESA-N 1 0 359.495 4.062 20 5 FIBDRO CCSc1ccc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444684666 1108087038 /nfs/dbraw/zinc/08/70/38/1108087038.db2.gz KXLPDUGTWJADST-LBPRGKRZSA-N 1 0 356.451 4.434 20 5 FIBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(Br)s1 ZINC000444761242 1108139269 /nfs/dbraw/zinc/13/92/69/1108139269.db2.gz VWXYVEPVZUDVLI-JTQLQIEISA-N 1 0 371.256 4.148 20 5 FIBDRO CC[C@@H]1CCCCC[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000523554260 1108317761 /nfs/dbraw/zinc/31/77/61/1108317761.db2.gz IFDQCWAKWSZNQQ-CYBMUJFWSA-N 1 0 358.385 4.359 20 5 FIBDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453373179 1108491622 /nfs/dbraw/zinc/49/16/22/1108491622.db2.gz YRALSBQPNPBPHV-ZIAGYGMSSA-N 1 0 370.478 4.339 20 5 FIBDRO Cc1ccnc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000523756770 1108502402 /nfs/dbraw/zinc/50/24/02/1108502402.db2.gz DVXJUDFLDNOCRA-INIZCTEOSA-N 1 0 360.845 4.201 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)ccc1OC(F)F ZINC000532200707 1108706819 /nfs/dbraw/zinc/70/68/19/1108706819.db2.gz PSVHPYXHBMMTEV-LBPRGKRZSA-N 1 0 366.364 4.364 20 5 FIBDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)CCCS2 ZINC000446834958 1109355637 /nfs/dbraw/zinc/35/56/37/1109355637.db2.gz ZJVFHVCSQQELNL-MRXNPFEDSA-N 1 0 374.462 4.329 20 5 FIBDRO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446847993 1109357218 /nfs/dbraw/zinc/35/72/18/1109357218.db2.gz CUCNQTWLIWHPIM-MGPUTAFESA-N 1 0 350.422 4.071 20 5 FIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000446932855 1109394212 /nfs/dbraw/zinc/39/42/12/1109394212.db2.gz XDAUUFVWGTYCFB-LJQANCHMSA-N 1 0 368.412 4.159 20 5 FIBDRO CCOc1ccccc1OCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000441195635 1109440470 /nfs/dbraw/zinc/44/04/70/1109440470.db2.gz AWEUISDBPZCHTB-UHFFFAOYSA-N 1 0 358.438 4.283 20 5 FIBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000441220672 1109469338 /nfs/dbraw/zinc/46/93/38/1109469338.db2.gz CZEIZDJYLKYAIH-AWEZNQCLSA-N 1 0 362.401 4.204 20 5 FIBDRO COc1ccc(OCC[N@H+](C)[C@H](C)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000441215910 1109473695 /nfs/dbraw/zinc/47/36/95/1109473695.db2.gz BHSDGVCSDCIHFF-CYBMUJFWSA-N 1 0 364.829 4.329 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)c1ccncc1 ZINC000525697583 1109481551 /nfs/dbraw/zinc/48/15/51/1109481551.db2.gz GONOGZURWNLKKW-GOSISDBHSA-N 1 0 367.405 4.499 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(OCC3CCCCC3)CC2)cc1 ZINC000525784188 1109517808 /nfs/dbraw/zinc/51/78/08/1109517808.db2.gz OSQJLGDAVQQSNX-UHFFFAOYSA-N 1 0 362.470 4.035 20 5 FIBDRO Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447517907 1109558929 /nfs/dbraw/zinc/55/89/29/1109558929.db2.gz AORVQTOYYMEWBB-IBGZPJMESA-N 1 0 364.449 4.310 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN(Cc3ccccc3)CC1)CCC2 ZINC000447522381 1109559935 /nfs/dbraw/zinc/55/99/35/1109559935.db2.gz YLGDQJUSHTXOND-JOCHJYFZSA-N 1 0 365.477 4.226 20 5 FIBDRO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)Sc1ccccc1 ZINC000447530713 1109564464 /nfs/dbraw/zinc/56/44/64/1109564464.db2.gz PDLIRDDUZSHROJ-PVAVHDDUSA-N 1 0 360.483 4.045 20 5 FIBDRO COc1ccc([C@H](C)CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447537826 1109571734 /nfs/dbraw/zinc/57/17/34/1109571734.db2.gz YVJMOMIXBZLGTH-LZQZEXGQSA-N 1 0 372.469 4.067 20 5 FIBDRO CCN(CC)[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000447542429 1109573155 /nfs/dbraw/zinc/57/31/55/1109573155.db2.gz PCEHFVNKJVFLKW-MOPGFXCFSA-N 1 0 357.454 4.238 20 5 FIBDRO CCO[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000447559220 1109581212 /nfs/dbraw/zinc/58/12/12/1109581212.db2.gz SJSSCVOPCKOTMB-TZIWHRDSSA-N 1 0 354.450 4.283 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCSc3ccccc32)n1 ZINC000447585480 1109587525 /nfs/dbraw/zinc/58/75/25/1109587525.db2.gz JFHLDSDYWIDYIV-ARFHVFGLSA-N 1 0 358.467 4.102 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(C(F)F)cc2)n1 ZINC000447603458 1109599577 /nfs/dbraw/zinc/59/95/77/1109599577.db2.gz XQWLRLLHWQGNFQ-GJZGRUSLSA-N 1 0 350.369 4.002 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000526108014 1109623238 /nfs/dbraw/zinc/62/32/38/1109623238.db2.gz QDPATKZXUFGFFT-HEHGZKQESA-N 1 0 360.376 4.037 20 5 FIBDRO Cc1ccccc1CN1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449087069 1109971436 /nfs/dbraw/zinc/97/14/36/1109971436.db2.gz DFTKIEXKNKFFOI-SFHVURJKSA-N 1 0 367.493 4.088 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000449167563 1109991152 /nfs/dbraw/zinc/99/11/52/1109991152.db2.gz KIXPZPQMTIKREK-CVEARBPZSA-N 1 0 350.422 4.062 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000449207495 1109995464 /nfs/dbraw/zinc/99/54/64/1109995464.db2.gz OGBFNTPONAEEFR-SJORKVTESA-N 1 0 364.449 4.121 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000449293575 1110025557 /nfs/dbraw/zinc/02/55/57/1110025557.db2.gz VVTUAIJOJOGDSH-ROUUACIJSA-N 1 0 353.466 4.032 20 5 FIBDRO C[C@@H](CCCO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000449407592 1110061125 /nfs/dbraw/zinc/06/11/25/1110061125.db2.gz IPTTUAPOFQAXQV-LBPRGKRZSA-N 1 0 352.818 4.006 20 5 FIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cnc([C@@H]4CCCO4)s3)C2)cc1 ZINC000449495736 1110092679 /nfs/dbraw/zinc/09/26/79/1110092679.db2.gz DWPQQYQWCAGIOY-QAPCUYQASA-N 1 0 373.478 4.282 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC[C@@H]3CCOC3)o2)c(Cl)c1 ZINC000449679760 1110144458 /nfs/dbraw/zinc/14/44/58/1110144458.db2.gz FLSFKQWBQRVWQV-CYBMUJFWSA-N 1 0 364.829 4.415 20 5 FIBDRO Cc1ccccc1[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000538389350 1111119206 /nfs/dbraw/zinc/11/92/06/1111119206.db2.gz DIQJVNHDUNBHSC-LJQANCHMSA-N 1 0 373.840 4.236 20 5 FIBDRO Cc1cc(NC[C@@H](c2ccsc2)[NH+](C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000538448149 1111145644 /nfs/dbraw/zinc/14/56/44/1111145644.db2.gz KURRLKANXIGLKP-KRWDZBQOSA-N 1 0 356.451 4.228 20 5 FIBDRO C[C@@H](CO)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000538464035 1111154132 /nfs/dbraw/zinc/15/41/32/1111154132.db2.gz NQOGWWKTCUQJBG-GFCCVEGCSA-N 1 0 352.818 4.006 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(NC(=O)NC(C)C)cc1 ZINC000128027307 1111205318 /nfs/dbraw/zinc/20/53/18/1111205318.db2.gz KUVDMRUKUDQQBT-OAHLLOKOSA-N 1 0 370.453 4.284 20 5 FIBDRO C[C@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCOC1 ZINC000538610195 1111220882 /nfs/dbraw/zinc/22/08/82/1111220882.db2.gz OJRFVRGFOFBONA-KRWDZBQOSA-N 1 0 350.802 4.167 20 5 FIBDRO CC[N@@H+]1CC[C@H](N(C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000538718098 1111260497 /nfs/dbraw/zinc/26/04/97/1111260497.db2.gz URSZNHBZTXIYMM-YOEHRIQHSA-N 1 0 374.510 4.023 20 5 FIBDRO COc1cc(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000538721072 1111262338 /nfs/dbraw/zinc/26/23/38/1111262338.db2.gz MIMIUDILAJAACG-UKRRQHHQSA-N 1 0 374.412 4.129 20 5 FIBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCO1 ZINC000538877792 1111335516 /nfs/dbraw/zinc/33/55/16/1111335516.db2.gz QOMJLQGOVIGNNG-GDBMZVCRSA-N 1 0 374.412 4.431 20 5 FIBDRO CC[C@H]([NH2+][C@@H](C)[C@@H](OC)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539051110 1111400253 /nfs/dbraw/zinc/40/02/53/1111400253.db2.gz WWILDLASWMJPIP-PNHOKKKMSA-N 1 0 358.438 4.420 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000539053150 1111402253 /nfs/dbraw/zinc/40/22/53/1111402253.db2.gz OTOCBABNSJMRNL-BEFAXECRSA-N 1 0 364.449 4.015 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000539055845 1111402766 /nfs/dbraw/zinc/40/27/66/1111402766.db2.gz LNVAFFIYYYWNDV-JXFKEZNVSA-N 1 0 356.466 4.356 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1[N+](=O)[O-] ZINC000539058245 1111405247 /nfs/dbraw/zinc/40/52/47/1111405247.db2.gz ASOGFYAVBQALHG-ZEZXVUOJSA-N 1 0 352.434 4.230 20 5 FIBDRO COc1ccccc1OC[C@@H](C)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539061158 1111407430 /nfs/dbraw/zinc/40/74/30/1111407430.db2.gz WNHUJRDQGAGDJF-GOEBONIOSA-N 1 0 358.438 4.278 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000539069917 1111417554 /nfs/dbraw/zinc/41/75/54/1111417554.db2.gz FNLIAKDCAHIFLI-KBPBESRZSA-N 1 0 373.840 4.013 20 5 FIBDRO Cc1cccc([C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000539340012 1111520367 /nfs/dbraw/zinc/52/03/67/1111520367.db2.gz LRSNLEGSWCKGAA-IBGZPJMESA-N 1 0 355.438 4.219 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+]CC1CCC(C)(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552063917 1111563337 /nfs/dbraw/zinc/56/33/37/1111563337.db2.gz RKEQCFUQZMUWKK-GOSISDBHSA-N 1 0 356.470 4.224 20 5 FIBDRO Cc1nc2ccccc2nc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000138398934 1111663101 /nfs/dbraw/zinc/66/31/01/1111663101.db2.gz IRXZEFGARJSZDR-UHFFFAOYSA-N 1 0 350.422 4.257 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](c2ccccc2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000479850981 1112170062 /nfs/dbraw/zinc/17/00/62/1112170062.db2.gz JPJGXWDLLGVFSU-UTKZUKDTSA-N 1 0 353.466 4.391 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)C1CC1 ZINC000480073304 1112268884 /nfs/dbraw/zinc/26/88/84/1112268884.db2.gz UICAOCWNNZGGJJ-QGZVFWFLSA-N 1 0 362.376 4.307 20 5 FIBDRO C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000480747369 1112576528 /nfs/dbraw/zinc/57/65/28/1112576528.db2.gz SZBVOZSCQNDLBI-ZIAGYGMSSA-N 1 0 356.451 4.259 20 5 FIBDRO CCOCc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000480810853 1112614983 /nfs/dbraw/zinc/61/49/83/1112614983.db2.gz GPPRMTRJUHCFSV-FQEVSTJZSA-N 1 0 354.450 4.242 20 5 FIBDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000555104292 1112669756 /nfs/dbraw/zinc/66/97/56/1112669756.db2.gz HMXVKNADDUUAHP-KRWDZBQOSA-N 1 0 366.845 4.395 20 5 FIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000555421257 1112826884 /nfs/dbraw/zinc/82/68/84/1112826884.db2.gz XDMCOMNQJIEDGE-JTQLQIEISA-N 1 0 368.311 4.193 20 5 FIBDRO COCC[C@@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000555427564 1112836577 /nfs/dbraw/zinc/83/65/77/1112836577.db2.gz BAPMVHONVHDKEC-ZDUSSCGKSA-N 1 0 360.376 4.252 20 5 FIBDRO CCCCNC(=O)c1ccc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)cc1 ZINC000160114521 1113301265 /nfs/dbraw/zinc/30/12/65/1113301265.db2.gz QQFNIXDGIOEBQH-FQEVSTJZSA-N 1 0 369.465 4.366 20 5 FIBDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000160152996 1113305770 /nfs/dbraw/zinc/30/57/70/1113305770.db2.gz QHHBALQSKQMARS-CHWSQXEVSA-N 1 0 366.508 4.088 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](c2c(F)cccc2F)N(C)C)cc1[N+](=O)[O-] ZINC000483138250 1113446203 /nfs/dbraw/zinc/44/62/03/1113446203.db2.gz AFABCVAEVSFIGI-UGSOOPFHSA-N 1 0 363.408 4.135 20 5 FIBDRO C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483147816 1113454165 /nfs/dbraw/zinc/45/41/65/1113454165.db2.gz SMFDLTJNXZHRFL-ZDUSSCGKSA-N 1 0 373.478 4.020 20 5 FIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483240513 1113469686 /nfs/dbraw/zinc/46/96/86/1113469686.db2.gz RIZCLZXBVFSEOJ-HIFRSBDPSA-N 1 0 358.442 4.464 20 5 FIBDRO CCCOc1ccc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000483285438 1113480247 /nfs/dbraw/zinc/48/02/47/1113480247.db2.gz KBGIASZSNFUATC-UHFFFAOYSA-N 1 0 358.438 4.417 20 5 FIBDRO CCOc1cc(NC[C@H](c2cccs2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000486418481 1113562789 /nfs/dbraw/zinc/56/27/89/1113562789.db2.gz LWZXEWLNPLEMRJ-MRXNPFEDSA-N 1 0 361.467 4.304 20 5 FIBDRO C[C@H](O)C[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000192956911 1113618767 /nfs/dbraw/zinc/61/87/67/1113618767.db2.gz BLXBWHXLVBSDKF-RRMPHLOHSA-N 1 0 354.450 4.117 20 5 FIBDRO CCCC[N@H+](C)CC1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000486924132 1113677598 /nfs/dbraw/zinc/67/75/98/1113677598.db2.gz CAWHIMVPSGIEGS-UHFFFAOYSA-N 1 0 356.470 4.091 20 5 FIBDRO Cc1cc(F)ccc1C[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000487964578 1113832687 /nfs/dbraw/zinc/83/26/87/1113832687.db2.gz UTTZCMOUWIIGMN-UHFFFAOYSA-N 1 0 369.396 4.372 20 5 FIBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cnc(C)s1 ZINC001212139954 1113878143 /nfs/dbraw/zinc/87/81/43/1113878143.db2.gz JIFAIMSPRTXOLO-UHFFFAOYSA-N 1 0 350.447 4.009 20 5 FIBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC[N@@H+](C2CCC2)C1 ZINC000488774508 1113992979 /nfs/dbraw/zinc/99/29/79/1113992979.db2.gz IDGVBYKJXADPTA-HNNXBMFYSA-N 1 0 361.486 4.083 20 5 FIBDRO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000055152143 1114421498 /nfs/dbraw/zinc/42/14/98/1114421498.db2.gz RNSVBDKJOOHGKJ-LSDHHAIUSA-N 1 0 371.437 4.060 20 5 FIBDRO O=[N+]([O-])c1cc(F)ccc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000164133204 1114436322 /nfs/dbraw/zinc/43/63/22/1114436322.db2.gz NCJWSDNTSASPOX-AYHJJNSGSA-N 1 0 355.413 4.341 20 5 FIBDRO C[N@H+](CCc1ccccc1O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000571444422 1114471386 /nfs/dbraw/zinc/47/13/86/1114471386.db2.gz LYNWPYUVCIYKOC-UHFFFAOYSA-N 1 0 352.390 4.235 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000055460367 1114474760 /nfs/dbraw/zinc/47/47/60/1114474760.db2.gz ZHVHXOJKQCNZCQ-CQSZACIVSA-N 1 0 371.412 4.361 20 5 FIBDRO Cc1ccc(-c2nnc([C@@H](C)[N@H+](C)CCc3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000571703739 1114492783 /nfs/dbraw/zinc/49/27/83/1114492783.db2.gz CUSMFRVNNYOOQJ-OAHLLOKOSA-N 1 0 366.421 4.189 20 5 FIBDRO CC[C@H]1c2ccsc2CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000164798027 1114585161 /nfs/dbraw/zinc/58/51/61/1114585161.db2.gz ZLRZNQKDKJPUFP-KRWDZBQOSA-N 1 0 373.478 4.303 20 5 FIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000156808268 1114594957 /nfs/dbraw/zinc/59/49/57/1114594957.db2.gz IHWWJKBURRQXCZ-UHFFFAOYSA-N 1 0 353.422 4.060 20 5 FIBDRO CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000056157009 1114616644 /nfs/dbraw/zinc/61/66/44/1114616644.db2.gz JRTPZOHSEQFRHH-GJZGRUSLSA-N 1 0 371.437 4.060 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2ccccc21 ZINC000056197257 1114658358 /nfs/dbraw/zinc/65/83/58/1114658358.db2.gz ZXQRWEJZDGTIHS-HUUCEWRRSA-N 1 0 363.417 4.426 20 5 FIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCC(F)(F)CC1 ZINC000588959539 1114681256 /nfs/dbraw/zinc/68/12/56/1114681256.db2.gz GAXAGOBHUODNON-LBPRGKRZSA-N 1 0 351.397 4.422 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000165629050 1114855573 /nfs/dbraw/zinc/85/55/73/1114855573.db2.gz MUCKQRZFVCFEDA-IBGZPJMESA-N 1 0 371.412 4.208 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000165718771 1114874763 /nfs/dbraw/zinc/87/47/63/1114874763.db2.gz ZEJHWWJVIOZTTE-LJQANCHMSA-N 1 0 355.438 4.219 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C1CCC(OC(F)F)CC1 ZINC000590662244 1114960585 /nfs/dbraw/zinc/96/05/85/1114960585.db2.gz FPDWTKFOPGVRGC-LYAPFXNSSA-N 1 0 368.424 4.446 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC4(CC(F)C4)C3)o2)c(Cl)c1 ZINC000590969341 1114998413 /nfs/dbraw/zinc/99/84/13/1114998413.db2.gz WJMYSNXGCUHCBR-UHFFFAOYSA-N 1 0 350.777 4.442 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(OC[C@H]2CCOC2)c1 ZINC000167160409 1115211690 /nfs/dbraw/zinc/21/16/90/1115211690.db2.gz KUYKPAAQACHGDU-IRXDYDNUSA-N 1 0 370.449 4.169 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592178339 1115217100 /nfs/dbraw/zinc/21/71/00/1115217100.db2.gz YHVHFLMRZWHRGA-IBGZPJMESA-N 1 0 372.852 4.408 20 5 FIBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1csc(C)c1 ZINC000592186726 1115219677 /nfs/dbraw/zinc/21/96/77/1115219677.db2.gz FFKNRVCRQNRPPU-CQSZACIVSA-N 1 0 367.858 4.298 20 5 FIBDRO CC[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592427613 1115307168 /nfs/dbraw/zinc/30/71/68/1115307168.db2.gz HVEJJVFYHOOXHX-QAPCUYQASA-N 1 0 373.428 4.085 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000594610719 1115471004 /nfs/dbraw/zinc/47/10/04/1115471004.db2.gz BQQYXUDVHDCICZ-DAXSKMNVSA-N 1 0 374.444 4.431 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCO[C@H]3CC3(F)F)o2)c(Cl)c1 ZINC000594970487 1115499450 /nfs/dbraw/zinc/49/94/50/1115499450.db2.gz IBVNGOOSAVDYPD-HNNXBMFYSA-N 1 0 372.755 4.022 20 5 FIBDRO COC[C@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000594969046 1115499462 /nfs/dbraw/zinc/49/94/62/1115499462.db2.gz LVKDQDDQFPMQFV-IBGZPJMESA-N 1 0 358.438 4.204 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)c(F)c1 ZINC000594956901 1115502667 /nfs/dbraw/zinc/50/26/67/1115502667.db2.gz XESMBXGUCVMCFY-ZDUSSCGKSA-N 1 0 363.820 4.003 20 5 FIBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccc2c(c1)OCCO2 ZINC000595018088 1115504190 /nfs/dbraw/zinc/50/41/90/1115504190.db2.gz PVDBLQFZGPNQRP-DYVFJYSZSA-N 1 0 372.421 4.177 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1cccc2cccnc21 ZINC000595004535 1115507074 /nfs/dbraw/zinc/50/70/74/1115507074.db2.gz TVDZXSSGSUPRRI-CQSZACIVSA-N 1 0 351.406 4.045 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000595003787 1115507188 /nfs/dbraw/zinc/50/71/88/1115507188.db2.gz KCBWMLIYBKWZMB-NSHDSACASA-N 1 0 354.328 4.473 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000595004168 1115507277 /nfs/dbraw/zinc/50/72/77/1115507277.db2.gz OHRBRDRMINTWMZ-MRXNPFEDSA-N 1 0 369.465 4.050 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000595009389 1115507804 /nfs/dbraw/zinc/50/78/04/1115507804.db2.gz RUCNXTKBXZGAPP-PMUMKWKESA-N 1 0 350.459 4.095 20 5 FIBDRO COC[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cccc(OC)c1 ZINC000595066608 1115509389 /nfs/dbraw/zinc/50/93/89/1115509389.db2.gz IXDSPCFFAMZMPJ-PMACEKPBSA-N 1 0 370.449 4.303 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000595033813 1115510738 /nfs/dbraw/zinc/51/07/38/1115510738.db2.gz DEAULDPMSUYTAS-TWOQFEAHSA-N 1 0 370.449 4.422 20 5 FIBDRO CC(C)[C@H](O)[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000595097398 1115517949 /nfs/dbraw/zinc/51/79/49/1115517949.db2.gz VPMFKORGFZPIKR-HBMCJLEFSA-N 1 0 354.450 4.320 20 5 FIBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000595317044 1115524879 /nfs/dbraw/zinc/52/48/79/1115524879.db2.gz LVFGBXUTZJYWDY-UHFFFAOYSA-N 1 0 358.413 4.163 20 5 FIBDRO Cc1noc(C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000595489464 1115536805 /nfs/dbraw/zinc/53/68/05/1115536805.db2.gz AWJOIAZYGQOVIC-KGLIPLIRSA-N 1 0 369.343 4.336 20 5 FIBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCCC2 ZINC000575218236 1115548802 /nfs/dbraw/zinc/54/88/02/1115548802.db2.gz XCFUVCQWZLHUBQ-ZWKOTPCHSA-N 1 0 371.437 4.077 20 5 FIBDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595709190 1115557386 /nfs/dbraw/zinc/55/73/86/1115557386.db2.gz WWTJABMZNRZYSW-ZJNRKIDTSA-N 1 0 364.405 4.024 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000593122927 1115563034 /nfs/dbraw/zinc/56/30/34/1115563034.db2.gz BQYIJKMUCYIQFC-ACRUOGEOSA-N 1 0 352.434 4.132 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCCCO4)C3)co2)cc1 ZINC000595786907 1115563526 /nfs/dbraw/zinc/56/35/26/1115563526.db2.gz IXLWUKGFTZCFHL-APWZRJJASA-N 1 0 371.437 4.031 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000596652855 1115604053 /nfs/dbraw/zinc/60/40/53/1115604053.db2.gz QDIHWRPGZQXOJY-DOTOQJQBSA-N 1 0 357.479 4.325 20 5 FIBDRO Cc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1C ZINC000129875476 1115640450 /nfs/dbraw/zinc/64/04/50/1115640450.db2.gz CPPXZMRTKRWMFW-CQSZACIVSA-N 1 0 359.401 4.030 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000597255189 1115651352 /nfs/dbraw/zinc/65/13/52/1115651352.db2.gz SNNSKTIGDJFZKT-FQEVSTJZSA-N 1 0 369.465 4.107 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCO2)ccc1Oc1ccccc1Cl ZINC000061002784 1115747459 /nfs/dbraw/zinc/74/74/59/1115747459.db2.gz ZKWPITRANAXYJS-CQSZACIVSA-N 1 0 362.813 4.309 20 5 FIBDRO Cc1cccc([C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)C)c1 ZINC000598998932 1115776018 /nfs/dbraw/zinc/77/60/18/1115776018.db2.gz ZHLAOVXFSWHNIG-IBGZPJMESA-N 1 0 356.422 4.257 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CC[C@H]2CCCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000599058142 1115785088 /nfs/dbraw/zinc/78/50/88/1115785088.db2.gz RRBGXWJOXUYUOF-FOIQADDNSA-N 1 0 358.438 4.246 20 5 FIBDRO CCC[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599059284 1115785111 /nfs/dbraw/zinc/78/51/11/1115785111.db2.gz ZZZFDBABEXGWMN-CABCVRRESA-N 1 0 356.348 4.026 20 5 FIBDRO CCC(F)(F)C(C)(C)CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000599082562 1115788039 /nfs/dbraw/zinc/78/80/39/1115788039.db2.gz ZNZVXBOMAAQQOH-OAHLLOKOSA-N 1 0 366.412 4.079 20 5 FIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000599086452 1115788145 /nfs/dbraw/zinc/78/81/45/1115788145.db2.gz NSTLPDSNMRUXNF-GFCCVEGCSA-N 1 0 373.375 4.024 20 5 FIBDRO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000593689962 1115796560 /nfs/dbraw/zinc/79/65/60/1115796560.db2.gz KENXHICCHRXVTE-RBUKOAKNSA-N 1 0 368.433 4.255 20 5 FIBDRO CC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cc(OC)c(OC)c(OC)c1 ZINC000593708101 1115801472 /nfs/dbraw/zinc/80/14/72/1115801472.db2.gz HNKZREACCFXVHH-CJNGLKHVSA-N 1 0 374.437 4.423 20 5 FIBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000603635178 1115801627 /nfs/dbraw/zinc/80/16/27/1115801627.db2.gz DPOJRTCHZFJACA-OAHLLOKOSA-N 1 0 363.502 4.133 20 5 FIBDRO Cc1c(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000603843214 1115820369 /nfs/dbraw/zinc/82/03/69/1115820369.db2.gz GFTGCUNRAUNKMX-SFHVURJKSA-N 1 0 354.406 4.012 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)c1 ZINC000599507524 1115820550 /nfs/dbraw/zinc/82/05/50/1115820550.db2.gz BPHYJKVIUNVXON-UHFFFAOYSA-N 1 0 370.453 4.090 20 5 FIBDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000603846154 1115820804 /nfs/dbraw/zinc/82/08/04/1115820804.db2.gz WVZQKXPKLFNUIR-IBGZPJMESA-N 1 0 356.422 4.258 20 5 FIBDRO Cc1cccc([C@@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C(C)C)c1 ZINC000599626326 1115832268 /nfs/dbraw/zinc/83/22/68/1115832268.db2.gz CXZCIYRZHVYZOQ-IBGZPJMESA-N 1 0 355.438 4.137 20 5 FIBDRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604012522 1115840810 /nfs/dbraw/zinc/84/08/10/1115840810.db2.gz LNGOPYGOXLJEEY-ZDUSSCGKSA-N 1 0 350.365 4.335 20 5 FIBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1N1CCCC1 ZINC000604070681 1115847635 /nfs/dbraw/zinc/84/76/35/1115847635.db2.gz SCICKIYXYOLRIR-UHFFFAOYSA-N 1 0 369.465 4.096 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1ccccc1F)C(C)C ZINC000604491883 1115867560 /nfs/dbraw/zinc/86/75/60/1115867560.db2.gz RGIOWCBTYNVQRE-UHFFFAOYSA-N 1 0 373.428 4.282 20 5 FIBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1F ZINC000604493454 1115867617 /nfs/dbraw/zinc/86/76/17/1115867617.db2.gz ZMTGPZYZJPUGMJ-UHFFFAOYSA-N 1 0 373.428 4.283 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)C2CCC(F)(F)CC2)cccc1[N+](=O)[O-] ZINC000594046749 1115979058 /nfs/dbraw/zinc/97/90/58/1115979058.db2.gz YFORCQXLXSUZOF-CYBMUJFWSA-N 1 0 369.412 4.035 20 5 FIBDRO C[C@@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000173438843 1116067191 /nfs/dbraw/zinc/06/71/91/1116067191.db2.gz LFUJRUWNTCLFDZ-BMIGLBTASA-N 1 0 355.221 4.286 20 5 FIBDRO CCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000608788723 1116130185 /nfs/dbraw/zinc/13/01/85/1116130185.db2.gz QSCZSXQUDNSWHA-UWJYYQICSA-N 1 0 353.466 4.252 20 5 FIBDRO COc1ccccc1CC1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000608833340 1116130784 /nfs/dbraw/zinc/13/07/84/1116130784.db2.gz MPQGMOAXZXHFKJ-UHFFFAOYSA-N 1 0 370.449 4.067 20 5 FIBDRO CN(C)[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000608835489 1116130939 /nfs/dbraw/zinc/13/09/39/1116130939.db2.gz NEIQCLBHDHIXGS-HXUWFJFHSA-N 1 0 365.433 4.247 20 5 FIBDRO C[N@H+](CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000608836606 1116131251 /nfs/dbraw/zinc/13/12/51/1116131251.db2.gz XVBKTZFFJSNZPB-UHFFFAOYSA-N 1 0 357.454 4.209 20 5 FIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCC[C@@H](C)C1 ZINC000608836397 1116131312 /nfs/dbraw/zinc/13/13/12/1116131312.db2.gz WCGZRJZXIXSHGS-CVEARBPZSA-N 1 0 357.454 4.065 20 5 FIBDRO C[C@@H](C[C@H]1CCCO1)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000608837910 1116131569 /nfs/dbraw/zinc/13/15/69/1116131569.db2.gz XMNOIBJNXNFMTF-QFBILLFUSA-N 1 0 369.465 4.410 20 5 FIBDRO COc1ccc(OC2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000534336229 1116188217 /nfs/dbraw/zinc/18/82/17/1116188217.db2.gz HFMYALPQGJHQFC-XQRVVYSFSA-N 1 0 368.433 4.160 20 5 FIBDRO CC(C)c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000535383162 1116301428 /nfs/dbraw/zinc/30/14/28/1116301428.db2.gz ONPZJMUMHWAYJA-LJQANCHMSA-N 1 0 367.449 4.154 20 5 FIBDRO C[C@@H](Cc1ccccc1Br)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000539522572 1116337542 /nfs/dbraw/zinc/33/75/42/1116337542.db2.gz PNERZJMQNGWGSP-JTQLQIEISA-N 1 0 355.257 4.140 20 5 FIBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccco1 ZINC000462379141 1116341852 /nfs/dbraw/zinc/34/18/52/1116341852.db2.gz VFYOFMFQRZPUJF-AWEZNQCLSA-N 1 0 369.368 4.284 20 5 FIBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCC2 ZINC000089909910 1116351932 /nfs/dbraw/zinc/35/19/32/1116351932.db2.gz NFJULJVCPGNJHT-ROUUACIJSA-N 1 0 371.437 4.029 20 5 FIBDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000539681464 1116365578 /nfs/dbraw/zinc/36/55/78/1116365578.db2.gz LRRRKQQWJWMTPL-VBSBHUPXSA-N 1 0 360.498 4.489 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@]1(C)CCCc2ccccc21 ZINC000539807912 1116383344 /nfs/dbraw/zinc/38/33/44/1116383344.db2.gz OCPZGBFOUCQHEK-OAQYLSRUSA-N 1 0 367.449 4.073 20 5 FIBDRO COc1cccc(NC2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000539829183 1116387589 /nfs/dbraw/zinc/38/75/89/1116387589.db2.gz YCLRQZPJGCXMHY-ALCCZGGFSA-N 1 0 367.449 4.193 20 5 FIBDRO Cc1cccc(O[C@H](C)C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000462733225 1117740900 /nfs/dbraw/zinc/74/09/00/1117740900.db2.gz HJPBZMWRUDNIKV-CYBMUJFWSA-N 1 0 366.364 4.062 20 5 FIBDRO COc1ccc(O[C@@H](C)C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000462735868 1117741667 /nfs/dbraw/zinc/74/16/67/1117741667.db2.gz FJMMECBTYLCEGR-HNNXBMFYSA-N 1 0 358.438 4.284 20 5 FIBDRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000539928287 1117752686 /nfs/dbraw/zinc/75/26/86/1117752686.db2.gz WSIZUKLVOWMWAX-BJIFSAINSA-N 1 0 360.454 4.052 20 5 FIBDRO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1F ZINC000462758758 1117758662 /nfs/dbraw/zinc/75/86/62/1117758662.db2.gz WUDHMNAQURGIDX-SNVBAGLBSA-N 1 0 372.318 4.368 20 5 FIBDRO C[C@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000462786796 1117771100 /nfs/dbraw/zinc/77/11/00/1117771100.db2.gz BYEPRGVSFGYGNQ-ZDUSSCGKSA-N 1 0 357.401 4.120 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000462805714 1117788417 /nfs/dbraw/zinc/78/84/17/1117788417.db2.gz OHTGGFBZKGLEAH-IRXDYDNUSA-N 1 0 371.456 4.171 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000462805715 1117788501 /nfs/dbraw/zinc/78/85/01/1117788501.db2.gz OHTGGFBZKGLEAH-SJORKVTESA-N 1 0 371.456 4.171 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]C[C@@](C)(OC)C2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000462821850 1117796387 /nfs/dbraw/zinc/79/63/87/1117796387.db2.gz RKGFQCKZZMWMFJ-VQTJNVASSA-N 1 0 358.438 4.244 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCCF)cc1 ZINC000462866182 1117825220 /nfs/dbraw/zinc/82/52/20/1117825220.db2.gz JZDSFLYSTINRGS-UHFFFAOYSA-N 1 0 368.412 4.287 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1c[nH]c2ncccc12 ZINC000540152939 1117906874 /nfs/dbraw/zinc/90/68/74/1117906874.db2.gz XEFFKSNPVVMKGD-OAHLLOKOSA-N 1 0 370.478 4.174 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000540152934 1117906888 /nfs/dbraw/zinc/90/68/88/1117906888.db2.gz XDJRHRZNPYVDOZ-SJKOYZFVSA-N 1 0 368.355 4.306 20 5 FIBDRO CCOc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1OC ZINC000540189561 1117921596 /nfs/dbraw/zinc/92/15/96/1117921596.db2.gz UEYSPVLMGODVJJ-SFHVURJKSA-N 1 0 370.449 4.113 20 5 FIBDRO C[C@H]([NH2+]CCc1nc2ccccc2n1C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000540177756 1117922879 /nfs/dbraw/zinc/92/28/79/1117922879.db2.gz REKMOCBHMYMCEZ-LBPRGKRZSA-N 1 0 360.364 4.233 20 5 FIBDRO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCOC1 ZINC000463031560 1117936976 /nfs/dbraw/zinc/93/69/76/1117936976.db2.gz VWMAPDJCNZRRNJ-ZDUSSCGKSA-N 1 0 350.802 4.119 20 5 FIBDRO Cc1cnc(NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000463050273 1117941025 /nfs/dbraw/zinc/94/10/25/1117941025.db2.gz YZEHNHRHPGEDPS-INIZCTEOSA-N 1 0 360.483 4.245 20 5 FIBDRO CCC[C@@H]([NH2+]C1CCC(c2nc(C)no2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000540222480 1117951542 /nfs/dbraw/zinc/95/15/42/1117951542.db2.gz RWMVHIJJICYVQM-JFUPDXTOSA-N 1 0 358.442 4.443 20 5 FIBDRO Cc1cc(C)cc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000540406914 1118036144 /nfs/dbraw/zinc/03/61/44/1118036144.db2.gz QBDWNNUFTOLHMO-INIZCTEOSA-N 1 0 355.438 4.199 20 5 FIBDRO COCc1cccc(OCC2(C[NH2+][C@@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000540426263 1118050743 /nfs/dbraw/zinc/05/07/43/1118050743.db2.gz TWECQROJNBEECF-INIZCTEOSA-N 1 0 370.449 4.251 20 5 FIBDRO CN(C(=O)C[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000540432897 1118061615 /nfs/dbraw/zinc/06/16/15/1118061615.db2.gz HYMYPLHDSQEHFV-IBGZPJMESA-N 1 0 373.428 4.074 20 5 FIBDRO O=[N+]([O-])c1ccc(CNC2CC[NH+](CCc3ccccc3)CC2)c(Cl)c1 ZINC000463281095 1118068543 /nfs/dbraw/zinc/06/85/43/1118068543.db2.gz JVHRLHCZUXICHF-UHFFFAOYSA-N 1 0 373.884 4.045 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000540469082 1118083422 /nfs/dbraw/zinc/08/34/22/1118083422.db2.gz FRDKDYKFBWGMNT-GOSISDBHSA-N 1 0 359.451 4.034 20 5 FIBDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)Cc3ccccc3[N+](=O)[O-])c2C1 ZINC000076171328 1118135160 /nfs/dbraw/zinc/13/51/60/1118135160.db2.gz ARFHFOZFSKIAJI-UHFFFAOYSA-N 1 0 367.449 4.138 20 5 FIBDRO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000540588596 1118145281 /nfs/dbraw/zinc/14/52/81/1118145281.db2.gz ATDHZGYMLQHNEJ-ZUOKHONESA-N 1 0 354.406 4.168 20 5 FIBDRO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000540621378 1118155810 /nfs/dbraw/zinc/15/58/10/1118155810.db2.gz YHXNVOJLCFCMPI-VIFPVBQESA-N 1 0 373.247 4.279 20 5 FIBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000540628860 1118158965 /nfs/dbraw/zinc/15/89/65/1118158965.db2.gz DWSKHYPLUZNHPA-NWDGAFQWSA-N 1 0 350.802 4.165 20 5 FIBDRO CC(C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000491300936 1118274423 /nfs/dbraw/zinc/27/44/23/1118274423.db2.gz PNUNWPAFLGFGTQ-UHFFFAOYSA-N 1 0 353.850 4.230 20 5 FIBDRO CCc1ccc([C@@H]([NH2+][C@@H](C)Cc2cc(C)n[nH]2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541564643 1118556682 /nfs/dbraw/zinc/55/66/82/1118556682.db2.gz AONUZFYZJMJYFV-RBZFPXEDSA-N 1 0 368.437 4.092 20 5 FIBDRO CC(C)C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccs1 ZINC000541626509 1118586842 /nfs/dbraw/zinc/58/68/42/1118586842.db2.gz LFCBVDHLZXHNLP-IAGOWNOFSA-N 1 0 373.478 4.139 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000464858896 1118726735 /nfs/dbraw/zinc/72/67/35/1118726735.db2.gz XEMYLJGEDXUHOU-RDTXWAMCSA-N 1 0 371.437 4.298 20 5 FIBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)C[C@@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000464862010 1118727726 /nfs/dbraw/zinc/72/77/26/1118727726.db2.gz WGMHJGHFCSXNCJ-KBXCAEBGSA-N 1 0 371.437 4.298 20 5 FIBDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000542247182 1118866345 /nfs/dbraw/zinc/86/63/45/1118866345.db2.gz PMODCCAOWGTOHB-KBXCAEBGSA-N 1 0 356.422 4.195 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N(CC)CC)nc2)cc1[N+](=O)[O-] ZINC000153082342 1118909533 /nfs/dbraw/zinc/90/95/33/1118909533.db2.gz BNEYYICACYSLFO-OAHLLOKOSA-N 1 0 372.469 4.086 20 5 FIBDRO Cc1nc(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cs1 ZINC000491367554 1118937243 /nfs/dbraw/zinc/93/72/43/1118937243.db2.gz NBHOHAUEWSRHQZ-IBGZPJMESA-N 1 0 353.447 4.281 20 5 FIBDRO CCOc1cc(CN(Cc2ccccc2OC)C2CC2)ccc1[N+](=O)[O-] ZINC000492377469 1119078878 /nfs/dbraw/zinc/07/88/78/1119078878.db2.gz PVCXEBOFEHLSPJ-UHFFFAOYSA-N 1 0 356.422 4.167 20 5 FIBDRO CC(C)([NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1[N+](=O)[O-] ZINC000492419469 1119086495 /nfs/dbraw/zinc/08/64/95/1119086495.db2.gz VQWQMERNLYMTQU-GOSISDBHSA-N 1 0 370.449 4.178 20 5 FIBDRO CCOc1cc(C[N@H+](C)[C@H]2CCCc3nc(C)sc32)ccc1[N+](=O)[O-] ZINC000492533204 1119119992 /nfs/dbraw/zinc/11/99/92/1119119992.db2.gz IXDFHWVYKOUIPH-INIZCTEOSA-N 1 0 361.467 4.268 20 5 FIBDRO CCOc1cc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492748966 1119178286 /nfs/dbraw/zinc/17/82/86/1119178286.db2.gz NGAZDXZJSPMIFD-PKOBYXMFSA-N 1 0 370.449 4.251 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)[C@H](OC)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000492781539 1119187348 /nfs/dbraw/zinc/18/73/48/1119187348.db2.gz DBBGNRQGOQQYQT-XIKOKIGWSA-N 1 0 364.829 4.123 20 5 FIBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000492771372 1119190187 /nfs/dbraw/zinc/19/01/87/1119190187.db2.gz MCGFLPLYVNMHMC-LZQZEXGQSA-N 1 0 362.470 4.019 20 5 FIBDRO COc1cc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)ccc1[N+](=O)[O-] ZINC000492849472 1119205104 /nfs/dbraw/zinc/20/51/04/1119205104.db2.gz CCCIVWVDUIFLCY-UHFFFAOYSA-N 1 0 362.376 4.441 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)cc1Cl ZINC000761518111 1119407883 /nfs/dbraw/zinc/40/78/83/1119407883.db2.gz XMOFCVALGHJGRQ-LJQANCHMSA-N 1 0 359.857 4.175 20 5 FIBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CN1Cc1ccccc1 ZINC000761526502 1119410059 /nfs/dbraw/zinc/41/00/59/1119410059.db2.gz FDENJPUGQSEMJT-WMLDXEAASA-N 1 0 359.857 4.001 20 5 FIBDRO C[NH+](C)[C@@H]1CCC[C@@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000493277081 1119438098 /nfs/dbraw/zinc/43/80/98/1119438098.db2.gz ONYHEGIMJYONOE-SFHLNBCPSA-N 1 0 353.466 4.147 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(OC)cc2OC)cc1[N+](=O)[O-] ZINC000152889677 1119537546 /nfs/dbraw/zinc/53/75/46/1119537546.db2.gz JJVWMINKLFBGNW-KGLIPLIRSA-N 1 0 374.437 4.423 20 5 FIBDRO CCc1ccc([C@H]([NH2+]C[C@](C)(O)[C@@H](C)CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542474530 1119555428 /nfs/dbraw/zinc/55/54/28/1119555428.db2.gz HDMPLMFHQWBJRH-KPOBHBOGSA-N 1 0 360.454 4.226 20 5 FIBDRO C/C(=C\c1ccccc1)CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494293251 1119821433 /nfs/dbraw/zinc/82/14/33/1119821433.db2.gz NMISTDQWOVUAQA-GXDHUFHOSA-N 1 0 373.840 4.222 20 5 FIBDRO Cc1c(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000494450273 1119864908 /nfs/dbraw/zinc/86/49/08/1119864908.db2.gz DARRXSRMMQIDHY-SJLPKXTDSA-N 1 0 364.804 4.316 20 5 FIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 ZINC000494514658 1119884530 /nfs/dbraw/zinc/88/45/30/1119884530.db2.gz XCYBYGWCEBCJGR-SNVBAGLBSA-N 1 0 368.311 4.193 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000542500901 1120230475 /nfs/dbraw/zinc/23/04/75/1120230475.db2.gz MQQGKMJPRHWDEU-GOSISDBHSA-N 1 0 350.365 4.369 20 5 FIBDRO CCC[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000032058928 1120298322 /nfs/dbraw/zinc/29/83/22/1120298322.db2.gz GPMGTDGLBCQRMZ-QGZVFWFLSA-N 1 0 364.405 4.052 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2nc(CC)c(C)s2)cc1[N+](=O)[O-] ZINC000153491463 1120840029 /nfs/dbraw/zinc/84/00/29/1120840029.db2.gz YLLBNFULLUBVSS-LBPRGKRZSA-N 1 0 363.483 4.214 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)C1CC1 ZINC000090547106 1120969821 /nfs/dbraw/zinc/96/98/21/1120969821.db2.gz OVYNVLXUPVZGAT-LJQANCHMSA-N 1 0 354.454 4.017 20 5 FIBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(C)c(F)c1 ZINC001168499849 1121075867 /nfs/dbraw/zinc/07/58/67/1121075867.db2.gz ZGIGFORPSFYHNT-GOSISDBHSA-N 1 0 373.428 4.420 20 5 FIBDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000076776757 1121098415 /nfs/dbraw/zinc/09/84/15/1121098415.db2.gz KGZHZSYTVSPLBI-SFHVURJKSA-N 1 0 364.405 4.290 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)cccc1[N+](=O)[O-] ZINC000090656977 1121102445 /nfs/dbraw/zinc/10/24/45/1121102445.db2.gz MMQQIGSNRGCJED-VQIMIIECSA-N 1 0 356.466 4.356 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cccn2)cc1[N+](=O)[O-] ZINC000153365092 1121255948 /nfs/dbraw/zinc/25/59/48/1121255948.db2.gz LSXLYTFDMIVCAM-HNNXBMFYSA-N 1 0 366.421 4.030 20 5 FIBDRO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cc2ccccc2o1 ZINC000130441529 1121275035 /nfs/dbraw/zinc/27/50/35/1121275035.db2.gz WNHQFRGWRUNXRD-GFCCVEGCSA-N 1 0 371.368 4.160 20 5 FIBDRO O=[N+]([O-])c1ccc2nc(NC3CC[NH+](Cc4ccccc4)CC3)ccc2c1 ZINC000301112659 1121325929 /nfs/dbraw/zinc/32/59/29/1121325929.db2.gz ZHVHZIWJPQHJFI-UHFFFAOYSA-N 1 0 362.433 4.220 20 5 FIBDRO CCCC[N@H+](C)CC1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488058787 1121346559 /nfs/dbraw/zinc/34/65/59/1121346559.db2.gz QSUZJEKNJLVVGF-UHFFFAOYSA-N 1 0 356.470 4.091 20 5 FIBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)[NH+]2CCCC2)o1 ZINC000301143855 1121477317 /nfs/dbraw/zinc/47/73/17/1121477317.db2.gz KAMRADLGZGUFDJ-LJQANCHMSA-N 1 0 366.421 4.293 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000537918401 1121524809 /nfs/dbraw/zinc/52/48/09/1121524809.db2.gz PTJFIPACIYNRCB-OAHLLOKOSA-N 1 0 365.202 4.274 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c2ccncc21 ZINC000301186566 1121754475 /nfs/dbraw/zinc/75/44/75/1121754475.db2.gz JYWBECHEMWGPTI-KRWDZBQOSA-N 1 0 368.481 4.235 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000497076140 1121822207 /nfs/dbraw/zinc/82/22/07/1121822207.db2.gz DEKVZVSWBONRBT-HYXAFXHYSA-N 1 0 370.474 4.234 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)ccc1Cl ZINC000154166677 1121841067 /nfs/dbraw/zinc/84/10/67/1121841067.db2.gz ICUQQEZKQYFWMB-BBRMVZONSA-N 1 0 366.870 4.398 20 5 FIBDRO C[C@@H]1C[C@H](N(C)c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000301452184 1121966029 /nfs/dbraw/zinc/96/60/29/1121966029.db2.gz XQNMYBPHNVFKEA-NXEZZACHSA-N 1 0 365.783 4.186 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000765818061 1122136953 /nfs/dbraw/zinc/13/69/53/1122136953.db2.gz QQXYAZNQJZWVMW-KUHUBIRLSA-N 1 0 362.857 4.067 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)cc1C(F)(F)F ZINC000301472558 1122156375 /nfs/dbraw/zinc/15/63/75/1122156375.db2.gz KYQWHLMEYOXMFX-ZDUSSCGKSA-N 1 0 357.376 4.068 20 5 FIBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000301544736 1122218546 /nfs/dbraw/zinc/21/85/46/1122218546.db2.gz OPADDSUAMSUSOR-HIFRSBDPSA-N 1 0 360.845 4.108 20 5 FIBDRO COc1ccc(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000273411201 1122254516 /nfs/dbraw/zinc/25/45/16/1122254516.db2.gz IIGGXFAZOKPLHQ-YLJYHZDGSA-N 1 0 374.412 4.095 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(Sc2ccccc2)CC1 ZINC000609467278 1123721161 /nfs/dbraw/zinc/72/11/61/1123721161.db2.gz OCICEKNEDYKWEV-UHFFFAOYSA-N 1 0 358.463 4.408 20 5 FIBDRO O=[N+]([O-])c1sccc1N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000609625335 1123773023 /nfs/dbraw/zinc/77/30/23/1123773023.db2.gz IRNWDHCOYVGXJX-CYBMUJFWSA-N 1 0 371.384 4.362 20 5 FIBDRO CCCC[N@H+](C)CC1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609705126 1123803126 /nfs/dbraw/zinc/80/31/26/1123803126.db2.gz SBHLMHHHMTWOKM-UHFFFAOYSA-N 1 0 353.894 4.192 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(F)cc3C)C2)cc1[N+](=O)[O-] ZINC000609770179 1123827231 /nfs/dbraw/zinc/82/72/31/1123827231.db2.gz BKBKSINFFUZSQT-GOSISDBHSA-N 1 0 357.429 4.109 20 5 FIBDRO CC[C@@H]([NH2+]CCc1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000610008786 1123915362 /nfs/dbraw/zinc/91/53/62/1123915362.db2.gz RBLBGRKKLVYNML-MRXNPFEDSA-N 1 0 362.401 4.035 20 5 FIBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000301243736 1123966801 /nfs/dbraw/zinc/96/68/01/1123966801.db2.gz PHKTXYPYKHHAGV-KRWDZBQOSA-N 1 0 368.481 4.091 20 5 FIBDRO CC[N@H+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])c3cnccc23)c1 ZINC000067903456 1123987411 /nfs/dbraw/zinc/98/74/11/1123987411.db2.gz HLDLYMWRHJTJCZ-UHFFFAOYSA-N 1 0 350.422 4.207 20 5 FIBDRO Cn1cc(C[NH2+][C@H]2CCCc3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237786393 1124082712 /nfs/dbraw/zinc/08/27/12/1124082712.db2.gz ZKINVVHCUVNJQF-FQEVSTJZSA-N 1 0 362.433 4.163 20 5 FIBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1 ZINC000765849372 1124192310 /nfs/dbraw/zinc/19/23/10/1124192310.db2.gz PRBBKFOAPVCEFX-UGSOOPFHSA-N 1 0 369.446 4.103 20 5 FIBDRO CC(C)COc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765849872 1124209263 /nfs/dbraw/zinc/20/92/63/1124209263.db2.gz SLFJQQHPYKBSKS-YWZLYKJASA-N 1 0 358.438 4.014 20 5 FIBDRO CC(C)Oc1ccc([C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000554088019 1124277867 /nfs/dbraw/zinc/27/78/67/1124277867.db2.gz IKKULDWQTAKUPU-KKSFZXQISA-N 1 0 371.481 4.336 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)c2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000765879020 1124323122 /nfs/dbraw/zinc/32/31/22/1124323122.db2.gz HUCPIRBRKPCHSM-YCRPNKLZSA-N 1 0 350.418 4.441 20 5 FIBDRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123179055 1124402525 /nfs/dbraw/zinc/40/25/25/1124402525.db2.gz QSNXVKBAEIKWRB-MRXNPFEDSA-N 1 0 369.465 4.268 20 5 FIBDRO Cc1cc(NCc2ccccc2C[N@H+](C)Cc2ccco2)ncc1[N+](=O)[O-] ZINC000080605816 1124722687 /nfs/dbraw/zinc/72/26/87/1124722687.db2.gz IHVBSEYAAUSDQX-UHFFFAOYSA-N 1 0 366.421 4.135 20 5 FIBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC001168675948 1124749265 /nfs/dbraw/zinc/74/92/65/1124749265.db2.gz HLRDEKXVFMEXMF-DIFFPNOSSA-N 1 0 352.793 4.253 20 5 FIBDRO Cc1cc(NC[C@@H](CCO)c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181506233 1124990157 /nfs/dbraw/zinc/99/01/57/1124990157.db2.gz SEYAVNVLFQNTNC-MRXNPFEDSA-N 1 0 351.406 4.030 20 5 FIBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc1C(F)(F)F ZINC000715721253 1125044950 /nfs/dbraw/zinc/04/49/50/1125044950.db2.gz KWWDCAAOVKCGTC-OAHLLOKOSA-N 1 0 365.355 4.300 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CCCc2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000181827322 1125149654 /nfs/dbraw/zinc/14/96/54/1125149654.db2.gz DIEQXIGXXMWQBQ-HNNXBMFYSA-N 1 0 366.421 4.237 20 5 FIBDRO C[C@H]1C[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301740802 1125190866 /nfs/dbraw/zinc/19/08/66/1125190866.db2.gz KQQNUODPIQCBJE-XJKSGUPXSA-N 1 0 360.845 4.108 20 5 FIBDRO C[C@@H]1C[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301740801 1125197661 /nfs/dbraw/zinc/19/76/61/1125197661.db2.gz KQQNUODPIQCBJE-CZUORRHYSA-N 1 0 360.845 4.108 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2cc(O)ccc2C1 ZINC000618615769 1125223146 /nfs/dbraw/zinc/22/31/46/1125223146.db2.gz YLXHAOSZZYZQQX-DSKINZAPSA-N 1 0 366.461 4.159 20 5 FIBDRO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000182096397 1125236054 /nfs/dbraw/zinc/23/60/54/1125236054.db2.gz QJCRBNVUBCSNML-ZDUSSCGKSA-N 1 0 373.478 4.045 20 5 FIBDRO C[N@@H+]1CCC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000301793447 1125298838 /nfs/dbraw/zinc/29/88/38/1125298838.db2.gz PCVPSFMGSSLPIX-GTNSWQLSSA-N 1 0 367.421 4.430 20 5 FIBDRO CN1Cc2ccccc2[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000618986732 1125411356 /nfs/dbraw/zinc/41/13/56/1125411356.db2.gz RMNLDHXAXXEIOQ-WOJBJXKFSA-N 1 0 351.450 4.094 20 5 FIBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000481426824 567923467 /nfs/dbraw/zinc/92/34/67/567923467.db2.gz OIGNLSUBJMVNDS-GTNSWQLSSA-N 1 0 352.793 4.253 20 5 FIBDRO CCC[C@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000481536084 568034204 /nfs/dbraw/zinc/03/42/04/568034204.db2.gz QPERBLQMEBQZHU-VQTJNVASSA-N 1 0 369.465 4.245 20 5 FIBDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000481678207 568085086 /nfs/dbraw/zinc/08/50/86/568085086.db2.gz PJBCMZIZZZIHDK-ZDUSSCGKSA-N 1 0 352.356 4.377 20 5 FIBDRO O=[N+]([O-])c1ccc(CN2CCC[C@]3(C2)OCc2ccccc23)c(Cl)c1 ZINC000481687517 568088989 /nfs/dbraw/zinc/08/89/89/568088989.db2.gz AMKUDJPHFOFKBJ-LJQANCHMSA-N 1 0 358.825 4.270 20 5 FIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000481856152 568162741 /nfs/dbraw/zinc/16/27/41/568162741.db2.gz YDJUALAPCUILGF-UHFFFAOYSA-N 1 0 359.451 4.021 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000568933743 568253578 /nfs/dbraw/zinc/25/35/78/568253578.db2.gz RJUIENSMWASPLR-ZBKGLNQESA-N 1 0 364.445 4.113 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000482126502 568268435 /nfs/dbraw/zinc/26/84/35/568268435.db2.gz NDAJAKVYOZCUJX-LJQANCHMSA-N 1 0 355.438 4.410 20 5 FIBDRO Cc1nccn1CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482109920 568275657 /nfs/dbraw/zinc/27/56/57/568275657.db2.gz MCAQFWLFXBXCAZ-ZDUSSCGKSA-N 1 0 356.451 4.179 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000604434694 568292266 /nfs/dbraw/zinc/29/22/66/568292266.db2.gz NCYKKUVHVLHZDW-HXUWFJFHSA-N 1 0 367.449 4.241 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCOC3)o2)c1 ZINC000517937068 568340281 /nfs/dbraw/zinc/34/02/81/568340281.db2.gz KZIVHBJKZWUOMY-VQIMIIECSA-N 1 0 356.422 4.246 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000619722884 1125669464 /nfs/dbraw/zinc/66/94/64/1125669464.db2.gz PYWJBCZYFFEFIG-NVXWUHKLSA-N 1 0 354.454 4.068 20 5 FIBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000133696074 1079853144 /nfs/dbraw/zinc/85/31/44/1079853144.db2.gz POWXQIKUAUWNHE-DOTOQJQBSA-N 1 0 373.840 4.113 20 5 FIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1c(F)cccc1N1CCCC1 ZINC000559073128 1079932744 /nfs/dbraw/zinc/93/27/44/1079932744.db2.gz QYQDYNJAHXRLLB-UHFFFAOYSA-N 1 0 357.429 4.009 20 5 FIBDRO COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000157530099 1079965724 /nfs/dbraw/zinc/96/57/24/1079965724.db2.gz ZCQPKHZGJMTYDC-DLBZAZTESA-N 1 0 369.465 4.089 20 5 FIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000610216051 1079983334 /nfs/dbraw/zinc/98/33/34/1079983334.db2.gz HEMVQIXBMQLIII-CQSZACIVSA-N 1 0 356.426 4.362 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000430218734 1080009422 /nfs/dbraw/zinc/00/94/22/1080009422.db2.gz KWCDFBBJDIMFQN-IBGZPJMESA-N 1 0 355.438 4.007 20 5 FIBDRO Cc1cc(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc([N+](=O)[O-])c1 ZINC000157712360 1080116342 /nfs/dbraw/zinc/11/63/42/1080116342.db2.gz GMDBQCGGMBDYOW-QGZVFWFLSA-N 1 0 373.497 4.020 20 5 FIBDRO Cc1c(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000118792958 1080179668 /nfs/dbraw/zinc/17/96/68/1080179668.db2.gz BWZBKMLQGFNWQL-RDJZCZTQSA-N 1 0 374.485 4.022 20 5 FIBDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)on1 ZINC000509813219 1080277354 /nfs/dbraw/zinc/27/73/54/1080277354.db2.gz PPDFRCSUNWYXJX-KRWDZBQOSA-N 1 0 353.378 4.488 20 5 FIBDRO CCOc1cc(NC[C@H](c2ccco2)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000471242503 1080537446 /nfs/dbraw/zinc/53/74/46/1080537446.db2.gz GUJXKWSQFQECFS-QGZVFWFLSA-N 1 0 359.426 4.226 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cc4ccccc4o3)CC2)cc1 ZINC000133784336 1080634318 /nfs/dbraw/zinc/63/43/18/1080634318.db2.gz IHRBNTJTUGIMFD-UHFFFAOYSA-N 1 0 351.406 4.100 20 5 FIBDRO COc1ccc(C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C2CC2)cc1 ZINC001167131171 1080660098 /nfs/dbraw/zinc/66/00/98/1080660098.db2.gz LLJDZDFWVAUTKL-INIZCTEOSA-N 1 0 354.450 4.447 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3C[C@H]3Cc3ccccc3)cs2)c1 ZINC000610271243 1080986874 /nfs/dbraw/zinc/98/68/74/1080986874.db2.gz SXAODFUBUQIGLV-VQIMIIECSA-N 1 0 365.458 4.439 20 5 FIBDRO Cc1ccc([C@@H](C)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000560527599 1081413523 /nfs/dbraw/zinc/41/35/23/1081413523.db2.gz NAVRUHMOFIARIY-OXJNMPFZSA-N 1 0 364.449 4.119 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1C ZINC001125441287 1081857675 /nfs/dbraw/zinc/85/76/75/1081857675.db2.gz LHDCPWSXBDKZFX-UHFFFAOYSA-N 1 0 367.449 4.102 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000579610675 1081919774 /nfs/dbraw/zinc/91/97/74/1081919774.db2.gz AYHFIYGJHROLKE-QSFXBCCZSA-N 1 0 356.397 4.231 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119122199 1081961954 /nfs/dbraw/zinc/96/19/54/1081961954.db2.gz AQJSAUYTIHENIY-AWEZNQCLSA-N 1 0 357.410 4.050 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000177779361 1081995242 /nfs/dbraw/zinc/99/52/42/1081995242.db2.gz RJCONUNTVZZUTC-PXAZEXFGSA-N 1 0 368.355 4.306 20 5 FIBDRO COc1cc(C[N@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1O ZINC000125979808 1082010619 /nfs/dbraw/zinc/01/06/19/1082010619.db2.gz CJWBNPGLSCONST-UHFFFAOYSA-N 1 0 368.389 4.201 20 5 FIBDRO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000471611669 1082091089 /nfs/dbraw/zinc/09/10/89/1082091089.db2.gz CPQOZELPBNXWBB-YWZLYKJASA-N 1 0 358.438 4.420 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(F)c1 ZINC000610481366 1082329451 /nfs/dbraw/zinc/32/94/51/1082329451.db2.gz VKQBYDFXSQEGOG-AWEZNQCLSA-N 1 0 355.369 4.255 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000537935953 1082618845 /nfs/dbraw/zinc/61/88/45/1082618845.db2.gz QOGCTYFWBLAGPB-BSIFCXSSSA-N 1 0 354.450 4.283 20 5 FIBDRO COc1cccc(C2(C[NH2+][C@@H](C)CCc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000581733094 1082851232 /nfs/dbraw/zinc/85/12/32/1082851232.db2.gz JOLPNPZENWDSHQ-INIZCTEOSA-N 1 0 354.450 4.246 20 5 FIBDRO CC(C)[NH+](CCSCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000161043993 1082933631 /nfs/dbraw/zinc/93/36/31/1082933631.db2.gz YKBNQLFFKSNSFW-UHFFFAOYSA-N 1 0 373.906 4.039 20 5 FIBDRO CCC[NH+]1CCC(N(C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000510468684 1082935947 /nfs/dbraw/zinc/93/59/47/1082935947.db2.gz GFUNKGMTZOPLMW-UHFFFAOYSA-N 1 0 357.454 4.161 20 5 FIBDRO COc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000175985682 1083036407 /nfs/dbraw/zinc/03/64/07/1083036407.db2.gz RUYKCTNLLMPVJM-UHFFFAOYSA-N 1 0 366.364 4.230 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]3CCc3ccccc3)nc2c1 ZINC000610581205 1083210228 /nfs/dbraw/zinc/21/02/28/1083210228.db2.gz NEZBEDLYAQGWMM-INIZCTEOSA-N 1 0 351.406 4.333 20 5 FIBDRO CC(C)CC[NH+](CCC(C)C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000610657192 1083297971 /nfs/dbraw/zinc/29/79/71/1083297971.db2.gz DYPITMQIOZYUFB-UHFFFAOYSA-N 1 0 350.459 4.356 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](c3ccc(Cl)cc3)C3CC3)nc2c1 ZINC000510783312 1083311698 /nfs/dbraw/zinc/31/16/98/1083311698.db2.gz YVMIHYAQBMJNAJ-SFHVURJKSA-N 1 0 356.813 4.365 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000477857350 1083329176 /nfs/dbraw/zinc/32/91/76/1083329176.db2.gz RJKJUXZHVJAKNV-CSODHUTKSA-N 1 0 356.466 4.184 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-] ZINC000179409721 1083452953 /nfs/dbraw/zinc/45/29/53/1083452953.db2.gz YCWSUBIZCIOWNF-OAHLLOKOSA-N 1 0 366.421 4.030 20 5 FIBDRO CC[C@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000179479503 1083476734 /nfs/dbraw/zinc/47/67/34/1083476734.db2.gz FLHGELKCJGSYKK-KSSFIOAISA-N 1 0 366.421 4.489 20 5 FIBDRO CCC[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000610818815 1083747753 /nfs/dbraw/zinc/74/77/53/1083747753.db2.gz XZLJGZZSQVOXGT-LRDDRELGSA-N 1 0 354.410 4.369 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2cccc(F)c2)c2ccccn2)cc1 ZINC000612409573 1083783462 /nfs/dbraw/zinc/78/34/62/1083783462.db2.gz BCLHSPLKCYKMMC-HXUWFJFHSA-N 1 0 351.381 4.051 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(OC)ccc3C2)cc1[N+](=O)[O-] ZINC000612419795 1083787065 /nfs/dbraw/zinc/78/70/65/1083787065.db2.gz UMGMUDNJOOJFIZ-KBXCAEBGSA-N 1 0 370.449 4.210 20 5 FIBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000065208725 1083892693 /nfs/dbraw/zinc/89/26/93/1083892693.db2.gz KEWXZKRPCUGECD-UHFFFAOYSA-N 1 0 354.328 4.124 20 5 FIBDRO C[C@@H](c1cccs1)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000472440975 1083910620 /nfs/dbraw/zinc/91/06/20/1083910620.db2.gz SVKWOJKJJXQFDN-HNNXBMFYSA-N 1 0 356.451 4.116 20 5 FIBDRO COc1cc(C[NH2+]CCC(C)(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000538313612 1084055824 /nfs/dbraw/zinc/05/58/24/1084055824.db2.gz OCGAMKLWMIVUEW-UHFFFAOYSA-N 1 0 364.364 4.070 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CCOCc3ccccc3)CC2)c(F)c1 ZINC000472058010 1084200286 /nfs/dbraw/zinc/20/02/86/1084200286.db2.gz CTIUIRRLRNGXJC-UHFFFAOYSA-N 1 0 358.413 4.211 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCc2cn3ccccc3n2)c2ccccc2)c1 ZINC000180061730 1084211439 /nfs/dbraw/zinc/21/14/39/1084211439.db2.gz XWWSWVQOCIOUNO-JOCHJYFZSA-N 1 0 372.428 4.164 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cccc1[N+](=O)[O-] ZINC000177754036 1084284739 /nfs/dbraw/zinc/28/47/39/1084284739.db2.gz VLWVXFQKQZRTBJ-HUUCEWRRSA-N 1 0 369.421 4.272 20 5 FIBDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000177779846 1084321227 /nfs/dbraw/zinc/32/12/27/1084321227.db2.gz JOZHUOFLIJLRHM-IAGOWNOFSA-N 1 0 368.355 4.388 20 5 FIBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)c2ccccc21 ZINC000580035395 1084329890 /nfs/dbraw/zinc/32/98/90/1084329890.db2.gz GZYIHKRVUHFLMK-MOPGFXCFSA-N 1 0 368.433 4.175 20 5 FIBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@H]1CCCOC1 ZINC000119701647 1084358151 /nfs/dbraw/zinc/35/81/51/1084358151.db2.gz ZDLWJEFFFDHUNI-CYBMUJFWSA-N 1 0 364.829 4.367 20 5 FIBDRO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C)c2)[NH+]2CCCC2)cc1 ZINC000071948908 1084371739 /nfs/dbraw/zinc/37/17/39/1084371739.db2.gz VJCBCWQRLWIQPP-FQEVSTJZSA-N 1 0 355.438 4.161 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2-c2ccnn2C)cc1[N+](=O)[O-] ZINC000511463968 1084515768 /nfs/dbraw/zinc/51/57/68/1084515768.db2.gz OKOLGYUZLZLQIP-HNNXBMFYSA-N 1 0 350.422 4.155 20 5 FIBDRO CC(F)(F)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000551239695 1084579999 /nfs/dbraw/zinc/57/99/99/1084579999.db2.gz ZTNQNCMXMNGBFP-CVEARBPZSA-N 1 0 364.396 4.177 20 5 FIBDRO CN(C)C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000563249726 1084633183 /nfs/dbraw/zinc/63/31/83/1084633183.db2.gz KIPHOGYGOSUOCL-FZMUQLTDSA-N 1 0 359.857 4.154 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(NC(=O)C(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000119829176 1084637891 /nfs/dbraw/zinc/63/78/91/1084637891.db2.gz PJLIRLDJBKYDIO-IBGZPJMESA-N 1 0 355.438 4.430 20 5 FIBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000119863249 1084672851 /nfs/dbraw/zinc/67/28/51/1084672851.db2.gz HMUTVROBLSTNPR-UHFFFAOYSA-N 1 0 366.421 4.170 20 5 FIBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000451100203 1084678465 /nfs/dbraw/zinc/67/84/65/1084678465.db2.gz QXSXGQAEFQRLFE-AWEZNQCLSA-N 1 0 355.438 4.182 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551737503 1084706772 /nfs/dbraw/zinc/70/67/72/1084706772.db2.gz KCQVFWYXXQAPRD-CQSZACIVSA-N 1 0 361.392 4.146 20 5 FIBDRO Cc1c(C[NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)cccc1[N+](=O)[O-] ZINC000478496206 1084959348 /nfs/dbraw/zinc/95/93/48/1084959348.db2.gz KIKZAKHALUSMMR-GOSISDBHSA-N 1 0 355.394 4.237 20 5 FIBDRO C[C@@H](c1ccccc1)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000170906039 1084978274 /nfs/dbraw/zinc/97/82/74/1084978274.db2.gz RBHQEYPCJTUYKR-HNNXBMFYSA-N 1 0 351.406 4.485 20 5 FIBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc2ccccc2c2cccnc12 ZINC000582422521 1084985535 /nfs/dbraw/zinc/98/55/35/1084985535.db2.gz OBTCJVJWNXROSB-INIZCTEOSA-N 1 0 361.489 4.190 20 5 FIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452044521 1085047122 /nfs/dbraw/zinc/04/71/22/1085047122.db2.gz JCAXLKYKWSTQGN-RCWVKNBDSA-N 1 0 368.437 4.074 20 5 FIBDRO C[C@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000290195766 1085050341 /nfs/dbraw/zinc/05/03/41/1085050341.db2.gz SQMNHSBUYYLSDJ-YWZLYKJASA-N 1 0 352.434 4.340 20 5 FIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000161303505 1085095690 /nfs/dbraw/zinc/09/56/90/1085095690.db2.gz PDMDQCSJXKSHIQ-UHFFFAOYSA-N 1 0 373.840 4.405 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)cc1 ZINC001167582040 1085104274 /nfs/dbraw/zinc/10/42/74/1085104274.db2.gz JIJWRYYYUQBDHB-QFIPXVFZSA-N 1 0 366.461 4.344 20 5 FIBDRO C[C@@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000479521193 1085185897 /nfs/dbraw/zinc/18/58/97/1085185897.db2.gz ASIKJPJJOYRWFU-CYBMUJFWSA-N 1 0 368.355 4.429 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1)C(C)C ZINC000158618883 1085228527 /nfs/dbraw/zinc/22/85/27/1085228527.db2.gz ZIFMSKSSVNSTDX-UHFFFAOYSA-N 1 0 355.438 4.102 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@H](c4ccccc4)[C@H]4CCC[C@@H]43)nc2c1 ZINC000511878136 1085275643 /nfs/dbraw/zinc/27/56/43/1085275643.db2.gz WTBNMVWHEBAPLZ-HLIPFELVSA-N 1 0 362.433 4.239 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(CCO)CCC2)ccc1Oc1ccc(F)cc1 ZINC000136550681 1085341458 /nfs/dbraw/zinc/34/14/58/1085341458.db2.gz BFWSBXIVMPZIFZ-UHFFFAOYSA-N 1 0 374.412 4.169 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178641278 1085418841 /nfs/dbraw/zinc/41/88/41/1085418841.db2.gz OEHQFXFRCRYDBY-CQSZACIVSA-N 1 0 365.389 4.291 20 5 FIBDRO CC[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@H]1c1ccccc1 ZINC001167601538 1085423610 /nfs/dbraw/zinc/42/36/10/1085423610.db2.gz DHHDGDUOQIJPIH-MAUKXSAKSA-N 1 0 364.449 4.487 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)o1 ZINC000611609463 1085513643 /nfs/dbraw/zinc/51/36/43/1085513643.db2.gz JFXLFNUHWIFFQQ-LBPRGKRZSA-N 1 0 352.337 4.058 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1coc(-c2cccs2)n1)C1CC1 ZINC000178658454 1085684628 /nfs/dbraw/zinc/68/46/28/1085684628.db2.gz YNUHAUBHFBLTQR-INIZCTEOSA-N 1 0 369.446 4.422 20 5 FIBDRO CC1CC[NH+](CCCNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000549561002 1085736212 /nfs/dbraw/zinc/73/62/12/1085736212.db2.gz PFHOHFJCKOZNFU-UHFFFAOYSA-N 1 0 357.454 4.066 20 5 FIBDRO COC1CCC([N@H+](C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000093414833 1085783752 /nfs/dbraw/zinc/78/37/52/1085783752.db2.gz JGDRJBAWFQNWDU-UHFFFAOYSA-N 1 0 361.467 4.108 20 5 FIBDRO CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000112699402 1085950676 /nfs/dbraw/zinc/95/06/76/1085950676.db2.gz NSCSLBWZQMISCZ-LJQANCHMSA-N 1 0 356.422 4.290 20 5 FIBDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000112699401 1085950878 /nfs/dbraw/zinc/95/08/78/1085950878.db2.gz NSCSLBWZQMISCZ-IBGZPJMESA-N 1 0 356.422 4.290 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432250163 1085961887 /nfs/dbraw/zinc/96/18/87/1085961887.db2.gz IZEWIDRFJYTGKD-UHFFFAOYSA-N 1 0 350.459 4.067 20 5 FIBDRO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000079304842 1086064408 /nfs/dbraw/zinc/06/44/08/1086064408.db2.gz KOZNQJHMOODAGA-GJZGRUSLSA-N 1 0 371.437 4.060 20 5 FIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000583091413 1086175615 /nfs/dbraw/zinc/17/56/15/1086175615.db2.gz KAZCGTIDVYOFKS-UHFFFAOYSA-N 1 0 367.449 4.450 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000535942001 1086289285 /nfs/dbraw/zinc/28/92/85/1086289285.db2.gz FLMBTEITIDQIRA-DLUDVSRJSA-N 1 0 360.479 4.306 20 5 FIBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001167799443 1086429896 /nfs/dbraw/zinc/42/98/96/1086429896.db2.gz ZNUXSCVFMIAPKH-SWLSCSKDSA-N 1 0 353.850 4.087 20 5 FIBDRO COc1ccc(C[N@@H+]2CC[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000511972693 1086473296 /nfs/dbraw/zinc/47/32/96/1086473296.db2.gz OMUPHUAKTZCTJA-HNNXBMFYSA-N 1 0 356.422 4.024 20 5 FIBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C12CCC2 ZINC001167664834 1086520562 /nfs/dbraw/zinc/52/05/62/1086520562.db2.gz VGBRZRKQNCDONM-JKSUJKDBSA-N 1 0 372.387 4.393 20 5 FIBDRO Cc1ncc(C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)s1 ZINC000105448630 1086554242 /nfs/dbraw/zinc/55/42/42/1086554242.db2.gz CPXGFANCWOKTKV-UHFFFAOYSA-N 1 0 368.462 4.417 20 5 FIBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C1(CC)CC ZINC001167818780 1086568374 /nfs/dbraw/zinc/56/83/74/1086568374.db2.gz JHBNJOFDMILDBS-ZWKOTPCHSA-N 1 0 350.459 4.019 20 5 FIBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000432360615 1086659145 /nfs/dbraw/zinc/65/91/45/1086659145.db2.gz AVHBUYDZQKOJPV-DYVFJYSZSA-N 1 0 360.385 4.041 20 5 FIBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000432360617 1086659446 /nfs/dbraw/zinc/65/94/46/1086659446.db2.gz AVHBUYDZQKOJPV-GUYCJALGSA-N 1 0 360.385 4.041 20 5 FIBDRO COCCC[N@@H+]1Cc2cccc(N[C@@H](C)c3ccccc3[N+](=O)[O-])c2C1 ZINC000080467630 1086775719 /nfs/dbraw/zinc/77/57/19/1086775719.db2.gz VRNHDWOZVFEMFN-HNNXBMFYSA-N 1 0 355.438 4.120 20 5 FIBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(NC(N)=O)cc1 ZINC000279122908 1086815437 /nfs/dbraw/zinc/81/54/37/1086815437.db2.gz QFXURQGPNXSPPZ-SGTLLEGYSA-N 1 0 368.437 4.159 20 5 FIBDRO Cc1cc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc([N+](=O)[O-])c1 ZINC000157712164 1086967562 /nfs/dbraw/zinc/96/75/62/1086967562.db2.gz GMDBQCGGMBDYOW-KRWDZBQOSA-N 1 0 373.497 4.020 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000451941364 1087739896 /nfs/dbraw/zinc/73/98/96/1087739896.db2.gz NTYQELYHGAMMGX-QGZVFWFLSA-N 1 0 354.450 4.346 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1nc(C)c(C)s1 ZINC000504905911 1087977124 /nfs/dbraw/zinc/97/71/24/1087977124.db2.gz PLYSVRYZKWEBEV-CQSZACIVSA-N 1 0 365.524 4.371 20 5 FIBDRO CCc1cnc(CC[NH2+][C@H](CC)CSc2ccccc2[N+](=O)[O-])s1 ZINC000504906233 1087977249 /nfs/dbraw/zinc/97/72/49/1087977249.db2.gz VKDJXJLHIAEXJA-CYBMUJFWSA-N 1 0 365.524 4.317 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1sc(C)nc1C ZINC000504911814 1087980624 /nfs/dbraw/zinc/98/06/24/1087980624.db2.gz LVRHRCPQCKVKMA-CQSZACIVSA-N 1 0 365.524 4.371 20 5 FIBDRO COC(=O)CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000180666930 1088010179 /nfs/dbraw/zinc/01/01/79/1088010179.db2.gz WRTGRGPWEHEAHS-CRAIPNDOSA-N 1 0 356.422 4.248 20 5 FIBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000180903790 1088159596 /nfs/dbraw/zinc/15/95/96/1088159596.db2.gz MKHVQGLTQBUUIU-YCRPNKLZSA-N 1 0 363.417 4.041 20 5 FIBDRO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000513831256 1088431649 /nfs/dbraw/zinc/43/16/49/1088431649.db2.gz NHCYRIZFEPNJGG-JECYIRHJSA-N 1 0 358.482 4.099 20 5 FIBDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000513838150 1088443301 /nfs/dbraw/zinc/44/33/01/1088443301.db2.gz LWYLVNRBHAQPEF-INIZCTEOSA-N 1 0 369.465 4.236 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2(Sc3ccccc3)CC2)n1 ZINC000472630089 1088627033 /nfs/dbraw/zinc/62/70/33/1088627033.db2.gz WJPRVPVMDZOFDE-DLBZAZTESA-N 1 0 372.494 4.190 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)s2)cc1 ZINC000514075221 1088700581 /nfs/dbraw/zinc/70/05/81/1088700581.db2.gz BRKVVUDUHSHTDV-UHOSZYNNSA-N 1 0 370.474 4.371 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)s2)cc1 ZINC000514075219 1088700620 /nfs/dbraw/zinc/70/06/20/1088700620.db2.gz BRKVVUDUHSHTDV-QRQLOZEOSA-N 1 0 370.474 4.371 20 5 FIBDRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000452181701 1088800845 /nfs/dbraw/zinc/80/08/45/1088800845.db2.gz IEEHKSYJRPTZCR-INIZCTEOSA-N 1 0 367.449 4.072 20 5 FIBDRO CCn1nccc1C1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000435034464 1089230338 /nfs/dbraw/zinc/23/03/38/1089230338.db2.gz NFPKKQRWUUQZJV-SSZFMOIBSA-N 1 0 354.454 4.094 20 5 FIBDRO C[N@H+](CCCCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000435044929 1089232842 /nfs/dbraw/zinc/23/28/42/1089232842.db2.gz IBKJYRPSGNEVGX-UHFFFAOYSA-N 1 0 352.818 4.103 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](c4ccc(Cl)cc4)C3)nc2c1 ZINC000435049138 1089234996 /nfs/dbraw/zinc/23/49/96/1089234996.db2.gz LZACZPSOORULLL-ZDUSSCGKSA-N 1 0 357.797 4.379 20 5 FIBDRO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(-c2ccnn2C)c1 ZINC000549253005 1089424194 /nfs/dbraw/zinc/42/41/94/1089424194.db2.gz KTVGTWHLGWCTNE-UHFFFAOYSA-N 1 0 370.840 4.247 20 5 FIBDRO Cc1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C[NH+](C)C)c1 ZINC000505656512 1089514112 /nfs/dbraw/zinc/51/41/12/1089514112.db2.gz KZHIVFSREGOVES-CQSZACIVSA-N 1 0 373.478 4.084 20 5 FIBDRO COc1cccc(NC[C@H](c2ccc(SC)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000549282274 1089546855 /nfs/dbraw/zinc/54/68/55/1089546855.db2.gz HEUWOASHOYTIRZ-MRXNPFEDSA-N 1 0 361.467 4.040 20 5 FIBDRO COC[C@H](C)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000517550000 1089763020 /nfs/dbraw/zinc/76/30/20/1089763020.db2.gz JLQUHOWMUYRHLM-CYBMUJFWSA-N 1 0 364.829 4.413 20 5 FIBDRO CCc1nc2c(s1)[C@H]([NH2+]CCc1c[nH]c3ccc([N+](=O)[O-])cc13)CCC2 ZINC000515089440 1089773724 /nfs/dbraw/zinc/77/37/24/1089773724.db2.gz JTILCDPNTMTTKV-MRXNPFEDSA-N 1 0 370.478 4.305 20 5 FIBDRO COc1ccccc1O[C@@H](C)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468636705 1089961294 /nfs/dbraw/zinc/96/12/94/1089961294.db2.gz DCWYIFZBYXCQJH-QZFKAFNDSA-N 1 0 356.422 4.064 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cnn(C)c1 ZINC000163824629 1089962567 /nfs/dbraw/zinc/96/25/67/1089962567.db2.gz VEOKCGWFJSLVJB-CHWSQXEVSA-N 1 0 356.451 4.469 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+]C3(c4ccccc4)CCC3)o2)c1 ZINC000104665295 1090288667 /nfs/dbraw/zinc/28/86/67/1090288667.db2.gz ZOPGXHVKQWPSBI-UHFFFAOYSA-N 1 0 363.417 4.461 20 5 FIBDRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000104701032 1090309678 /nfs/dbraw/zinc/30/96/78/1090309678.db2.gz RULFIVAEBHFLIW-AUUYWEPGSA-N 1 0 353.422 4.053 20 5 FIBDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236944142 1090438301 /nfs/dbraw/zinc/43/83/01/1090438301.db2.gz FFTRZKPPRIFLLD-KRWDZBQOSA-N 1 0 352.818 4.149 20 5 FIBDRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000120255693 1090464339 /nfs/dbraw/zinc/46/43/39/1090464339.db2.gz XFEWAPIFVYARQA-CABCVRRESA-N 1 0 371.437 4.060 20 5 FIBDRO COCc1cc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)ccc1F ZINC000417318875 1090810976 /nfs/dbraw/zinc/81/09/76/1090810976.db2.gz ZMMRKYUACLXLSI-FQEVSTJZSA-N 1 0 358.413 4.438 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]C3CC(C(F)(F)F)C3)o2)c([N+](=O)[O-])c1 ZINC000584861737 1090960076 /nfs/dbraw/zinc/96/00/76/1090960076.db2.gz KCJXICOPNIDJRX-UHFFFAOYSA-N 1 0 370.327 4.294 20 5 FIBDRO Cc1cncc(C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000123075991 1091026041 /nfs/dbraw/zinc/02/60/41/1091026041.db2.gz KZFAIYZRQPKIKP-UHFFFAOYSA-N 1 0 362.433 4.356 20 5 FIBDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500119716 1091051574 /nfs/dbraw/zinc/05/15/74/1091051574.db2.gz AHNOCBSTDMBEJI-SJORKVTESA-N 1 0 367.449 4.110 20 5 FIBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000500120484 1091052073 /nfs/dbraw/zinc/05/20/73/1091052073.db2.gz XSNWPMSPAQRCGL-VLIAUNLRSA-N 1 0 371.412 4.146 20 5 FIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(C2CC2)cc1 ZINC000418115919 1091066017 /nfs/dbraw/zinc/06/60/17/1091066017.db2.gz QEQBMRNZJLLKTR-CYBMUJFWSA-N 1 0 354.406 4.190 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C)nc(N2CCCC2)c1 ZINC000566649609 1091257772 /nfs/dbraw/zinc/25/77/72/1091257772.db2.gz LPEUZSUDWQAQQJ-YBEGLDIGSA-N 1 0 366.465 4.092 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(c4ncc[nH]4)CC3)s2)cc1 ZINC000512380193 1092192792 /nfs/dbraw/zinc/19/27/92/1092192792.db2.gz XNOLPHPFUQERTO-UHFFFAOYSA-N 1 0 368.462 4.426 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CCc4ccc(O)cc4C3)o2)c1 ZINC000509533416 1092338808 /nfs/dbraw/zinc/33/88/08/1092338808.db2.gz RHSDSBLOSHABOL-UHFFFAOYSA-N 1 0 350.374 4.119 20 5 FIBDRO COc1cc(C[N@@H+]2CC3(CCC3)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000432788818 1092367734 /nfs/dbraw/zinc/36/77/34/1092367734.db2.gz MRAQEAHVPGUMEW-LBPRGKRZSA-N 1 0 370.396 4.012 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)ccc1Oc1ccc(F)cc1 ZINC000438910587 1092523833 /nfs/dbraw/zinc/52/38/33/1092523833.db2.gz BUVGAQBBYCQPIX-QKLQHJQFSA-N 1 0 372.396 4.183 20 5 FIBDRO CO[C@@H](C)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000443010484 1092914760 /nfs/dbraw/zinc/91/47/60/1092914760.db2.gz BPXJPJZOMFLNJK-LBPRGKRZSA-N 1 0 350.802 4.165 20 5 FIBDRO C[NH+](C)[C@H]1CCOc2c(Nc3nc4ccccc4cc3[N+](=O)[O-])cccc21 ZINC000432946899 1092981648 /nfs/dbraw/zinc/98/16/48/1092981648.db2.gz YNXGFFCIUFXANN-KRWDZBQOSA-N 1 0 364.405 4.272 20 5 FIBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC(F)(F)[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000522044761 1093053801 /nfs/dbraw/zinc/05/38/01/1093053801.db2.gz KUXFXTZKNJGGIY-LBPRGKRZSA-N 1 0 366.364 4.341 20 5 FIBDRO CCc1ccc([C@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cc1 ZINC000433057245 1093174731 /nfs/dbraw/zinc/17/47/31/1093174731.db2.gz KPBWRVNBHJZJQG-INIZCTEOSA-N 1 0 351.406 4.288 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CC2(CO)CC3(CCC3)C2)c2ccccc2)c1 ZINC000433056563 1093175149 /nfs/dbraw/zinc/17/51/49/1093175149.db2.gz IEHGZYOXHFAPAS-HXUWFJFHSA-N 1 0 366.461 4.217 20 5 FIBDRO COc1c2ccccc2oc1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000474069908 1093181240 /nfs/dbraw/zinc/18/12/40/1093181240.db2.gz YBXRNEBOQGBDNF-AWEZNQCLSA-N 1 0 354.406 4.461 20 5 FIBDRO CCOc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1OC(F)F ZINC000236973601 1093231470 /nfs/dbraw/zinc/23/14/70/1093231470.db2.gz GCPAYOQZEUBHQJ-UHFFFAOYSA-N 1 0 366.364 4.193 20 5 FIBDRO CC(=O)Nc1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433134587 1093315091 /nfs/dbraw/zinc/31/50/91/1093315091.db2.gz RKUUNQFRWWWDPL-IBGZPJMESA-N 1 0 353.422 4.065 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)c2cc([N+](=O)[O-])ccc21 ZINC000433159462 1093350846 /nfs/dbraw/zinc/35/08/46/1093350846.db2.gz DOYIPYVMCJBXJO-GOSISDBHSA-N 1 0 368.433 4.268 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)c2cc([N+](=O)[O-])ccc21 ZINC000433166932 1093358384 /nfs/dbraw/zinc/35/83/84/1093358384.db2.gz LUOULMIJMAMBJK-LJQANCHMSA-N 1 0 366.465 4.102 20 5 FIBDRO C[C@H](O)CCC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000433177525 1093370500 /nfs/dbraw/zinc/37/05/00/1093370500.db2.gz ADABZOBXUGWEJK-ZDUSSCGKSA-N 1 0 364.829 4.291 20 5 FIBDRO CCN(CC)c1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000433173125 1093372700 /nfs/dbraw/zinc/37/27/00/1093372700.db2.gz JFVPPWPRLGFEBP-IBGZPJMESA-N 1 0 368.481 4.348 20 5 FIBDRO C[NH+](C)[C@H]1CCOc2c(NC/C=C/c3ccccc3[N+](=O)[O-])cccc21 ZINC000433190421 1093392928 /nfs/dbraw/zinc/39/29/28/1093392928.db2.gz PXDNLKUNAZYGPZ-FNQPIQQGSA-N 1 0 353.422 4.105 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000433192230 1093395402 /nfs/dbraw/zinc/39/54/02/1093395402.db2.gz KFKALZLFDGVFIS-IZLCOFNUSA-N 1 0 367.449 4.495 20 5 FIBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000512879595 1093498446 /nfs/dbraw/zinc/49/84/46/1093498446.db2.gz GTNXKBQPRMVRQM-ZUZCIYMTSA-N 1 0 352.843 4.349 20 5 FIBDRO CN(C)[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccco1 ZINC000237031409 1093549915 /nfs/dbraw/zinc/54/99/15/1093549915.db2.gz FEDYMHSBNBNROK-QGZVFWFLSA-N 1 0 371.462 4.309 20 5 FIBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419325691 1093635628 /nfs/dbraw/zinc/63/56/28/1093635628.db2.gz LIYIVCCLLKWOPN-JKSUJKDBSA-N 1 0 358.442 4.291 20 5 FIBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419325689 1093635833 /nfs/dbraw/zinc/63/58/33/1093635833.db2.gz LIYIVCCLLKWOPN-HOTGVXAUSA-N 1 0 358.442 4.291 20 5 FIBDRO CC[C@H]1CCCC[N@@H+]1CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237036717 1093695214 /nfs/dbraw/zinc/69/52/14/1093695214.db2.gz UCZOBVXUPOTZBJ-KRWDZBQOSA-N 1 0 374.510 4.072 20 5 FIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C2CC2)cc1 ZINC000419344907 1093711554 /nfs/dbraw/zinc/71/15/54/1093711554.db2.gz SPLZEBZYOVJELB-LBPRGKRZSA-N 1 0 373.840 4.415 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(C2CC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419344865 1093711874 /nfs/dbraw/zinc/71/18/74/1093711874.db2.gz SKRBNRLOIMGUSO-KBPBESRZSA-N 1 0 353.422 4.150 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513084667 1093785702 /nfs/dbraw/zinc/78/57/02/1093785702.db2.gz WSWYGMJHDMPEIF-KSSFIOAISA-N 1 0 356.422 4.071 20 5 FIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000397994580 1093799587 /nfs/dbraw/zinc/79/95/87/1093799587.db2.gz RTWHSRYXVYHRIN-KXBFYZLASA-N 1 0 373.884 4.248 20 5 FIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000397988087 1093805191 /nfs/dbraw/zinc/80/51/91/1093805191.db2.gz PEEVHPFSIHJGLR-KXBFYZLASA-N 1 0 373.884 4.248 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000120644043 1093908098 /nfs/dbraw/zinc/90/80/98/1093908098.db2.gz VIWAETSVFNFUFF-WOJBJXKFSA-N 1 0 370.449 4.312 20 5 FIBDRO CC(=O)c1ccccc1OCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000513398430 1094101504 /nfs/dbraw/zinc/10/15/04/1094101504.db2.gz SFUPLYRJRPECMJ-UHFFFAOYSA-N 1 0 356.422 4.087 20 5 FIBDRO COc1ccc([C@H](Cc2ccncc2)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000513697586 1094355648 /nfs/dbraw/zinc/35/56/48/1094355648.db2.gz PIEKINSQLYJCIL-FQEVSTJZSA-N 1 0 363.417 4.072 20 5 FIBDRO CC[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513701993 1094387237 /nfs/dbraw/zinc/38/72/37/1094387237.db2.gz CGPDUCPESPWDPF-UZLBHIALSA-N 1 0 364.449 4.201 20 5 FIBDRO CSc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000237390773 1094607030 /nfs/dbraw/zinc/60/70/30/1094607030.db2.gz KIAZUIVPBBRTBM-UHFFFAOYSA-N 1 0 368.462 4.007 20 5 FIBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000501810052 1094927485 /nfs/dbraw/zinc/92/74/85/1094927485.db2.gz NLOXFWFMVIKPSX-UHFFFAOYSA-N 1 0 365.433 4.335 20 5 FIBDRO CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000502316617 1095340018 /nfs/dbraw/zinc/34/00/18/1095340018.db2.gz ZGJUTYSOTFMSJC-UONOGXRCSA-N 1 0 373.478 4.385 20 5 FIBDRO CC(C)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2cccnc21 ZINC000127045403 1095419463 /nfs/dbraw/zinc/41/94/63/1095419463.db2.gz TUDFZYNYGFAYMT-UXHICEINSA-N 1 0 369.465 4.059 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC4(CC3)OCCCO4)s2)cc1 ZINC000293737482 1095677309 /nfs/dbraw/zinc/67/73/09/1095677309.db2.gz VLGXVQLHPOFYQK-UHFFFAOYSA-N 1 0 374.462 4.052 20 5 FIBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000444239937 1095895045 /nfs/dbraw/zinc/89/50/45/1095895045.db2.gz CUTLIIQQFIWKEG-RVKKMQEKSA-N 1 0 355.438 4.445 20 5 FIBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000444243307 1095902380 /nfs/dbraw/zinc/90/23/80/1095902380.db2.gz PSESOXOIVAKFOO-SFHVURJKSA-N 1 0 369.465 4.103 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000503896461 1096578798 /nfs/dbraw/zinc/57/87/98/1096578798.db2.gz XCEOLDHRCPNGQT-GDBMZVCRSA-N 1 0 374.412 4.431 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000532904391 1098579859 /nfs/dbraw/zinc/57/98/59/1098579859.db2.gz VTANZIOJIBISMS-QGZVFWFLSA-N 1 0 369.446 4.420 20 5 FIBDRO CC[C@H](c1ccccc1)[N@H+](CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000532935230 1098628536 /nfs/dbraw/zinc/62/85/36/1098628536.db2.gz YJSRCJNCQMSHRZ-GOSISDBHSA-N 1 0 371.437 4.015 20 5 FIBDRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000459383844 1098643369 /nfs/dbraw/zinc/64/33/69/1098643369.db2.gz FZTDVCMTFHCKPA-LLVKDONJSA-N 1 0 356.451 4.341 20 5 FIBDRO Cc1ccc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000532976725 1098646124 /nfs/dbraw/zinc/64/61/24/1098646124.db2.gz DIZJOFZAMWRSEG-INIZCTEOSA-N 1 0 355.438 4.152 20 5 FIBDRO COc1ccc2cc(C[N@H+](C)CCOc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000515549565 1098691917 /nfs/dbraw/zinc/69/19/17/1098691917.db2.gz AMKNWNGDHHKEHB-UHFFFAOYSA-N 1 0 366.417 4.267 20 5 FIBDRO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000533295318 1098950022 /nfs/dbraw/zinc/95/00/22/1098950022.db2.gz UTMUHBCOKVCRGE-FQEVSTJZSA-N 1 0 367.449 4.012 20 5 FIBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000533301041 1098953182 /nfs/dbraw/zinc/95/31/82/1098953182.db2.gz CMUOVWPALZWMFX-SFHVURJKSA-N 1 0 369.465 4.185 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000533374437 1098993884 /nfs/dbraw/zinc/99/38/84/1098993884.db2.gz CLVCJINEMJQGTQ-UHFFFAOYSA-N 1 0 371.412 4.040 20 5 FIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000533511771 1099118095 /nfs/dbraw/zinc/11/80/95/1099118095.db2.gz IGLFWSQGHOYVPZ-JKIFEVAISA-N 1 0 351.878 4.085 20 5 FIBDRO COc1cccc(NC2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000110036776 1099448783 /nfs/dbraw/zinc/44/87/83/1099448783.db2.gz RLEJDXCJKDSDKY-OAHLLOKOSA-N 1 0 355.438 4.241 20 5 FIBDRO CC[C@@H](CCO)[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000516934428 1099942622 /nfs/dbraw/zinc/94/26/22/1099942622.db2.gz VDYDEIXFLCIEHQ-INIZCTEOSA-N 1 0 360.479 4.305 20 5 FIBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000536667725 1100125225 /nfs/dbraw/zinc/12/52/25/1100125225.db2.gz OJWHBZHYXGCNNB-OLZOCXBDSA-N 1 0 364.829 4.244 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000536673980 1100165094 /nfs/dbraw/zinc/16/50/94/1100165094.db2.gz HZKJIMRAAYLGRU-HNNXBMFYSA-N 1 0 356.422 4.167 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCc4ccccc4CC3)cs2)c1 ZINC000536682762 1100194855 /nfs/dbraw/zinc/19/48/55/1100194855.db2.gz LPLFABTXQHVNPG-UHFFFAOYSA-N 1 0 365.458 4.319 20 5 FIBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1N1CCCC1 ZINC000506140492 1100229821 /nfs/dbraw/zinc/22/98/21/1100229821.db2.gz CQYXKSSEDLFRPW-FLIBITNWSA-N 1 0 351.450 4.340 20 5 FIBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1N1CCCC1 ZINC000506140491 1100230227 /nfs/dbraw/zinc/23/02/27/1100230227.db2.gz CQYXKSSEDLFRPW-DHZHZOJOSA-N 1 0 351.450 4.340 20 5 FIBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000536722919 1100248001 /nfs/dbraw/zinc/24/80/01/1100248001.db2.gz XEOJTKKKXUWXCZ-NVXWUHKLSA-N 1 0 355.438 4.020 20 5 FIBDRO CC[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000536842930 1100355852 /nfs/dbraw/zinc/35/58/52/1100355852.db2.gz BIQGPVGOHSCIFT-OAHLLOKOSA-N 1 0 369.343 4.128 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)cccc1[N+](=O)[O-] ZINC000536856347 1100372127 /nfs/dbraw/zinc/37/21/27/1100372127.db2.gz FNMAUQVBVYRCKM-XJKSGUPXSA-N 1 0 373.840 4.013 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459650294 1100391881 /nfs/dbraw/zinc/39/18/81/1100391881.db2.gz XLLPIRSQQQPIQC-CJNGLKHVSA-N 1 0 372.387 4.337 20 5 FIBDRO C[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000506207820 1100597204 /nfs/dbraw/zinc/59/72/04/1100597204.db2.gz SSBFFLVCRDOPOZ-HNNXBMFYSA-N 1 0 362.426 4.464 20 5 FIBDRO C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000506400004 1100965341 /nfs/dbraw/zinc/96/53/41/1100965341.db2.gz ADDMYTIANZLOHH-QGZVFWFLSA-N 1 0 360.385 4.137 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000518268126 1101051927 /nfs/dbraw/zinc/05/19/27/1101051927.db2.gz FSEURXRYQYUSQU-IBGZPJMESA-N 1 0 359.857 4.175 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOc3ccccc3)s2)cc1 ZINC000518272435 1101055669 /nfs/dbraw/zinc/05/56/69/1101055669.db2.gz CWTHZJHUTZFZRS-UHFFFAOYSA-N 1 0 354.431 4.492 20 5 FIBDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518282246 1101065127 /nfs/dbraw/zinc/06/51/27/1101065127.db2.gz VVSYNFICBKWCKE-UHFFFAOYSA-N 1 0 371.412 4.015 20 5 FIBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000537069605 1101436867 /nfs/dbraw/zinc/43/68/67/1101436867.db2.gz YRGYDMPUEDTYAC-AWEZNQCLSA-N 1 0 370.384 4.074 20 5 FIBDRO Cc1cccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1C ZINC000537086657 1101453115 /nfs/dbraw/zinc/45/31/15/1101453115.db2.gz FQSGQUNKKLQOFN-JKSUJKDBSA-N 1 0 355.438 4.198 20 5 FIBDRO Cc1cc(C)cc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000537115100 1101480645 /nfs/dbraw/zinc/48/06/45/1101480645.db2.gz BUVKOBOUHCTEAG-INIZCTEOSA-N 1 0 355.438 4.199 20 5 FIBDRO CSc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000439478481 1101492733 /nfs/dbraw/zinc/49/27/33/1101492733.db2.gz NILFZILAEJYMOC-CQSZACIVSA-N 1 0 373.478 4.305 20 5 FIBDRO CC(C)[N@H+](Cc1cn(C)nc1-c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000537164603 1101511382 /nfs/dbraw/zinc/51/13/82/1101511382.db2.gz QGZDFWTXODTBAO-UHFFFAOYSA-N 1 0 364.449 4.406 20 5 FIBDRO C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000455850255 1101580535 /nfs/dbraw/zinc/58/05/35/1101580535.db2.gz KQAJSQKBNWSHFA-UGSOOPFHSA-N 1 0 368.437 4.026 20 5 FIBDRO Cc1ccccc1[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000537292505 1101612987 /nfs/dbraw/zinc/61/29/87/1101612987.db2.gz ZFYWRQBGCWEECV-IBGZPJMESA-N 1 0 373.840 4.236 20 5 FIBDRO CC[NH+]1CCN(c2ccccc2N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000537447112 1101789613 /nfs/dbraw/zinc/78/96/13/1101789613.db2.gz YLQKXIKZILYAPF-QGZVFWFLSA-N 1 0 368.481 4.218 20 5 FIBDRO CC(C)(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000054396861 1101872748 /nfs/dbraw/zinc/87/27/48/1101872748.db2.gz VLNOXWSPTQGAKX-LJQANCHMSA-N 1 0 356.422 4.338 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N(C)C)cc1[N+](=O)[O-] ZINC000152582107 1102055499 /nfs/dbraw/zinc/05/54/99/1102055499.db2.gz HSIKDBOTXBFVQQ-CZUORRHYSA-N 1 0 363.483 4.009 20 5 FIBDRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237743853 1102135254 /nfs/dbraw/zinc/13/52/54/1102135254.db2.gz LVFNPWPMXNKXLM-QZTJIDSGSA-N 1 0 364.829 4.149 20 5 FIBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237742689 1102135511 /nfs/dbraw/zinc/13/55/11/1102135511.db2.gz LVFNPWPMXNKXLM-ZWKOTPCHSA-N 1 0 364.829 4.149 20 5 FIBDRO CC(C)c1ccc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000473614576 1102254237 /nfs/dbraw/zinc/25/42/37/1102254237.db2.gz ALEAWJZSRXPZRH-JZXOWHBKSA-N 1 0 373.497 4.196 20 5 FIBDRO Cc1ccc([C@@H]2CCCCN2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000532575146 1102498125 /nfs/dbraw/zinc/49/81/25/1102498125.db2.gz RWWHLOFLOIJXCN-SFHVURJKSA-N 1 0 367.449 4.377 20 5 FIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000163414358 1102748065 /nfs/dbraw/zinc/74/80/65/1102748065.db2.gz NDDLSGSORSZORY-UHFFFAOYSA-N 1 0 373.840 4.405 20 5 FIBDRO C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000537686722 1102854615 /nfs/dbraw/zinc/85/46/15/1102854615.db2.gz NGUKFGHPURCFPE-OLZOCXBDSA-N 1 0 372.396 4.108 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cn3ccnc3)cc1)CCC2 ZINC000192657401 1102894115 /nfs/dbraw/zinc/89/41/15/1102894115.db2.gz KQYZKBHWWVAZJV-NRFANRHFSA-N 1 0 362.433 4.007 20 5 FIBDRO CCOc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000192663862 1102915481 /nfs/dbraw/zinc/91/54/81/1102915481.db2.gz UOWSKOKNWHZMON-GOSISDBHSA-N 1 0 356.422 4.169 20 5 FIBDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237814243 1102944810 /nfs/dbraw/zinc/94/48/10/1102944810.db2.gz RFKNEWXFNPAPNU-KRWDZBQOSA-N 1 0 368.462 4.224 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC(F)F)c2)cc1[N+](=O)[O-] ZINC000089543204 1102980961 /nfs/dbraw/zinc/98/09/61/1102980961.db2.gz QTQRSTOZYSRJJC-CYBMUJFWSA-N 1 0 350.365 4.398 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](c2ccccc2)C2CCC2)cccc1[N+](=O)[O-] ZINC000532701769 1102996741 /nfs/dbraw/zinc/99/67/41/1102996741.db2.gz USJQNVAFLLGYEM-MGPUTAFESA-N 1 0 367.449 4.361 20 5 FIBDRO CC[NH+](CC)Cc1cccc(NC(=O)CSc2ccccc2[N+](=O)[O-])c1 ZINC000507046584 1103067515 /nfs/dbraw/zinc/06/75/15/1103067515.db2.gz TYWLBMGONPJKJI-UHFFFAOYSA-N 1 0 373.478 4.167 20 5 FIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000507123544 1103130447 /nfs/dbraw/zinc/13/04/47/1103130447.db2.gz ZNRAWXNYMGMYTE-UHFFFAOYSA-N 1 0 351.200 4.212 20 5 FIBDRO Cc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000507166437 1103166979 /nfs/dbraw/zinc/16/69/79/1103166979.db2.gz WRHXDNYMBFVNAB-DLBZAZTESA-N 1 0 367.449 4.028 20 5 FIBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc(F)c3cccnc23)C2CC2)c1 ZINC000507170271 1103191299 /nfs/dbraw/zinc/19/12/99/1103191299.db2.gz MURLULXOALPUMO-UHFFFAOYSA-N 1 0 351.381 4.447 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2OC)cc1[N+](=O)[O-] ZINC000152633899 1103250680 /nfs/dbraw/zinc/25/06/80/1103250680.db2.gz USYDLLVJXZKYFB-KGLIPLIRSA-N 1 0 374.437 4.423 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2COc3ccccc32)o1 ZINC000519637040 1103759380 /nfs/dbraw/zinc/75/93/80/1103759380.db2.gz VIWXIZQPMNLUPT-CQSZACIVSA-N 1 0 350.374 4.121 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2COc3ccccc32)o1 ZINC000519637037 1103759393 /nfs/dbraw/zinc/75/93/93/1103759393.db2.gz VIWXIZQPMNLUPT-AWEZNQCLSA-N 1 0 350.374 4.121 20 5 FIBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@H]1CCC[C@@H]1O ZINC000537709487 1103870844 /nfs/dbraw/zinc/87/08/44/1103870844.db2.gz FVDUEXMXTDHWEM-PXAZEXFGSA-N 1 0 364.829 4.101 20 5 FIBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000537775539 1103942386 /nfs/dbraw/zinc/94/23/86/1103942386.db2.gz GUZQHCITVDYOCJ-AEFFLSMTSA-N 1 0 369.465 4.267 20 5 FIBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000441229728 1104216703 /nfs/dbraw/zinc/21/67/03/1104216703.db2.gz JHPRFDXFHBIKBV-OAHLLOKOSA-N 1 0 374.437 4.074 20 5 FIBDRO COc1ccc(OCC[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000441338168 1104282298 /nfs/dbraw/zinc/28/22/98/1104282298.db2.gz SHXVDYDTCUTSQQ-RDTXWAMCSA-N 1 0 374.412 4.204 20 5 FIBDRO O=C(C[C@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000441404133 1104344917 /nfs/dbraw/zinc/34/49/17/1104344917.db2.gz MTKANUQVUDULMW-OAHLLOKOSA-N 1 0 360.360 4.110 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000441403297 1104345316 /nfs/dbraw/zinc/34/53/16/1104345316.db2.gz KQHVLVCEUIXTMV-GDBMZVCRSA-N 1 0 356.397 4.390 20 5 FIBDRO NC(=[NH2+])N(c1ccc(F)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001167994591 1104493015 /nfs/dbraw/zinc/49/30/15/1104493015.db2.gz NEONIZPKLBQWDL-UHFFFAOYSA-N 1 0 350.353 4.432 20 5 FIBDRO COc1ccc(C[N@H+](C[C@@H]2CCCO2)C2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000441457695 1104755364 /nfs/dbraw/zinc/75/53/64/1104755364.db2.gz ONZMUOXQFLLTHJ-VJFUWPCTSA-N 1 0 362.470 4.163 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000080641521 1104933191 /nfs/dbraw/zinc/93/31/91/1104933191.db2.gz HJPHPGILFQCIBX-INIZCTEOSA-N 1 0 369.465 4.379 20 5 FIBDRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000237182914 1104968959 /nfs/dbraw/zinc/96/89/59/1104968959.db2.gz KYXNARFLLNPEQW-GFCCVEGCSA-N 1 0 352.481 4.183 20 5 FIBDRO COc1cc(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000520525565 1104975506 /nfs/dbraw/zinc/97/55/06/1104975506.db2.gz QQEGRMZFGAAOPV-WCQYABFASA-N 1 0 358.385 4.215 20 5 FIBDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4ccc([N+](=O)[O-])cc4)C3)nc2c1 ZINC000536472963 1105152789 /nfs/dbraw/zinc/15/27/89/1105152789.db2.gz RQQOHXWTECYZBN-MRXNPFEDSA-N 1 0 350.422 4.159 20 5 FIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000184840756 1105224419 /nfs/dbraw/zinc/22/44/19/1105224419.db2.gz FASFNDJTEQOIRH-SFHVURJKSA-N 1 0 369.465 4.172 20 5 FIBDRO COc1cccc(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000475385745 1106795534 /nfs/dbraw/zinc/79/55/34/1106795534.db2.gz BMGXVPQORSVHMM-OAHLLOKOSA-N 1 0 355.438 4.241 20 5 FIBDRO CN(c1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](CCC(F)(F)F)CC1 ZINC000450950443 1106833442 /nfs/dbraw/zinc/83/34/42/1106833442.db2.gz MUHCZIUJUUSQNE-UHFFFAOYSA-N 1 0 365.783 4.101 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000451109428 1106926044 /nfs/dbraw/zinc/92/60/44/1106926044.db2.gz CGOQXLIAYOBWPK-AWEZNQCLSA-N 1 0 353.422 4.070 20 5 FIBDRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451144603 1106945067 /nfs/dbraw/zinc/94/50/67/1106945067.db2.gz IVXQJUNNQBHBTG-AXFHLTTASA-N 1 0 356.348 4.022 20 5 FIBDRO CCC(=O)Nc1cccc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000530326467 1106969907 /nfs/dbraw/zinc/96/99/07/1106969907.db2.gz QUNCAWCVXOFZBO-XNTDXEJSSA-N 1 0 353.422 4.136 20 5 FIBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237476880 1107171960 /nfs/dbraw/zinc/17/19/60/1107171960.db2.gz IIQPPXTYWBUVAV-PMACEKPBSA-N 1 0 374.412 4.167 20 5 FIBDRO Cc1cc(N2CCO[C@H](c3ccc(F)cc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302157185 1107319956 /nfs/dbraw/zinc/31/99/56/1107319956.db2.gz IYOOZCSMIUNVQD-FQEVSTJZSA-N 1 0 367.380 4.168 20 5 FIBDRO C[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000248753955 1107375900 /nfs/dbraw/zinc/37/59/00/1107375900.db2.gz CJPTVENTAJLCDW-OTNPHJDUSA-N 1 0 365.477 4.441 20 5 FIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000452078949 1107461382 /nfs/dbraw/zinc/46/13/82/1107461382.db2.gz MPQJEPUSCJAMJK-KBPBESRZSA-N 1 0 358.442 4.464 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC001168135011 1107488276 /nfs/dbraw/zinc/48/82/76/1107488276.db2.gz UGGQEDIPZVOQQE-HNNXBMFYSA-N 1 0 358.438 4.151 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc(OC(F)F)cc2)cc1Cl ZINC000783593252 1107584174 /nfs/dbraw/zinc/58/41/74/1107584174.db2.gz WBNXMNFMZYSNBN-UHFFFAOYSA-N 1 0 356.756 4.182 20 5 FIBDRO COc1cccc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000475503496 1107590882 /nfs/dbraw/zinc/59/08/82/1107590882.db2.gz NIDRHIQKNWILHX-SUMWQHHRSA-N 1 0 361.467 4.160 20 5 FIBDRO C[C@@H](N[C@@H](C)c1c(F)cccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000531204615 1107645803 /nfs/dbraw/zinc/64/58/03/1107645803.db2.gz ZMUTWKOGKXEYMU-WDEREUQCSA-N 1 0 365.792 4.065 20 5 FIBDRO Cn1cc([C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)(C)C)cn1 ZINC000531206367 1107651142 /nfs/dbraw/zinc/65/11/42/1107651142.db2.gz VUTNJWTUXFZKQB-LJQANCHMSA-N 1 0 368.437 4.465 20 5 FIBDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000523133671 1107929979 /nfs/dbraw/zinc/92/99/79/1107929979.db2.gz QIWMABIIYZCQSR-UHFFFAOYSA-N 1 0 367.449 4.030 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)C3CCCCC3)s2)cc1 ZINC000520218527 1108061858 /nfs/dbraw/zinc/06/18/58/1108061858.db2.gz IBEFMZCBWUCXNU-SFHVURJKSA-N 1 0 360.479 4.354 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)C3CCCCC3)s2)cc1 ZINC000520218526 1108062619 /nfs/dbraw/zinc/06/26/19/1108062619.db2.gz IBEFMZCBWUCXNU-GOSISDBHSA-N 1 0 360.479 4.354 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000523451607 1108214090 /nfs/dbraw/zinc/21/40/90/1108214090.db2.gz LJADJUASULHGJA-RHSMWYFYSA-N 1 0 356.397 4.390 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000523451609 1108214376 /nfs/dbraw/zinc/21/43/76/1108214376.db2.gz LJADJUASULHGJA-YOEHRIQHSA-N 1 0 356.397 4.390 20 5 FIBDRO C[C@H]([NH2+]C1(CNCc2cccc([N+](=O)[O-])c2)CCCC1)c1ccccc1 ZINC000523520432 1108299129 /nfs/dbraw/zinc/29/91/29/1108299129.db2.gz RFNUNBIPKFTHRY-KRWDZBQOSA-N 1 0 353.466 4.348 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CC2(c3ccc(F)cc3)CCOCC2)cc1[N+](=O)[O-] ZINC000152051226 1108306070 /nfs/dbraw/zinc/30/60/70/1108306070.db2.gz PGYCMAUENOILLP-MRXNPFEDSA-N 1 0 372.440 4.441 20 5 FIBDRO Cc1ccc2nc(C[NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])cn2c1 ZINC000520298041 1108307774 /nfs/dbraw/zinc/30/77/74/1108307774.db2.gz JMZDAWRLTGTNLB-VQIMIIECSA-N 1 0 364.449 4.052 20 5 FIBDRO CCC[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000453282839 1108358433 /nfs/dbraw/zinc/35/84/33/1108358433.db2.gz OIRVTEFUUOPZHJ-QAPCUYQASA-N 1 0 361.486 4.050 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)C1CC1 ZINC000453297459 1108372720 /nfs/dbraw/zinc/37/27/20/1108372720.db2.gz ZBLJOBCGGCITDM-OAHLLOKOSA-N 1 0 365.355 4.120 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000453405652 1108506091 /nfs/dbraw/zinc/50/60/91/1108506091.db2.gz BXLKULISDQZZSV-YXJHDRRASA-N 1 0 360.479 4.487 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000532188012 1108698666 /nfs/dbraw/zinc/69/86/66/1108698666.db2.gz ZEIGGDBBNVSMBC-YJBOKZPZSA-N 1 0 359.495 4.452 20 5 FIBDRO CCC[C@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000152108603 1108711983 /nfs/dbraw/zinc/71/19/83/1108711983.db2.gz NVIZTWICKVFYQQ-NRFANRHFSA-N 1 0 364.449 4.471 20 5 FIBDRO C[C@]1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCCO1 ZINC000532289080 1108745638 /nfs/dbraw/zinc/74/56/38/1108745638.db2.gz XJBJZSCLXJYRNJ-LJQANCHMSA-N 1 0 360.385 4.185 20 5 FIBDRO CC(C)N(Cc1cncn1Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000445797550 1108999944 /nfs/dbraw/zinc/99/99/44/1108999944.db2.gz APHXXZOSGPGKFV-UHFFFAOYSA-N 1 0 364.449 4.250 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[C@H]1c1ccccc1 ZINC000525639664 1109465182 /nfs/dbraw/zinc/46/51/82/1109465182.db2.gz VWXGQLQMRITJBT-FOIQADDNSA-N 1 0 368.433 4.087 20 5 FIBDRO C[C@@H](CCO)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000525708354 1109487903 /nfs/dbraw/zinc/48/79/03/1109487903.db2.gz IULVLTJDJLMDLS-ZDUSSCGKSA-N 1 0 364.829 4.149 20 5 FIBDRO C[C@@H]1C[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000525709014 1109488279 /nfs/dbraw/zinc/48/82/79/1109488279.db2.gz DCFGVVLHPVLAAA-PBHICJAKSA-N 1 0 373.428 4.099 20 5 FIBDRO C[C@H]1C[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000525709017 1109488442 /nfs/dbraw/zinc/48/84/42/1109488442.db2.gz DCFGVVLHPVLAAA-YOEHRIQHSA-N 1 0 373.428 4.099 20 5 FIBDRO COc1ccc(OCC[N@H+](C)[C@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000441252266 1109529778 /nfs/dbraw/zinc/52/97/78/1109529778.db2.gz ATMHXBOEUWUZFL-CQSZACIVSA-N 1 0 370.405 4.421 20 5 FIBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000447526839 1109561972 /nfs/dbraw/zinc/56/19/72/1109561972.db2.gz DNOGNSFPGAEKJK-KUHUBIRLSA-N 1 0 370.449 4.210 20 5 FIBDRO Cc1[nH]c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc2c1C ZINC000447530501 1109564328 /nfs/dbraw/zinc/56/43/28/1109564328.db2.gz OFXLJLSJSSUOIB-MOPGFXCFSA-N 1 0 367.453 4.163 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C(F)(F)F)n1 ZINC000447537661 1109571788 /nfs/dbraw/zinc/57/17/88/1109571788.db2.gz XPFPUDLOUBEGGQ-HUUCEWRRSA-N 1 0 368.359 4.084 20 5 FIBDRO CCN(CC)[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000447542431 1109573322 /nfs/dbraw/zinc/57/33/22/1109573322.db2.gz PCEHFVNKJVFLKW-RBUKOAKNSA-N 1 0 357.454 4.238 20 5 FIBDRO Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447544745 1109573782 /nfs/dbraw/zinc/57/37/82/1109573782.db2.gz PLAVDXSNAQICHF-HZPDHXFCSA-N 1 0 372.400 4.259 20 5 FIBDRO Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447544743 1109573988 /nfs/dbraw/zinc/57/39/88/1109573988.db2.gz PLAVDXSNAQICHF-CVEARBPZSA-N 1 0 372.400 4.259 20 5 FIBDRO CC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCCO2 ZINC000447546450 1109575094 /nfs/dbraw/zinc/57/50/94/1109575094.db2.gz WAGCQGSBLBPLAD-MOPGFXCFSA-N 1 0 368.433 4.484 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(-c3ccccc3)o2)n1 ZINC000447564578 1109583718 /nfs/dbraw/zinc/58/37/18/1109583718.db2.gz XWRWELNJWJMSQA-QZTJIDSGSA-N 1 0 366.421 4.325 20 5 FIBDRO CC(C)(C)Oc1cccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000447589267 1109588646 /nfs/dbraw/zinc/58/86/46/1109588646.db2.gz XHYYTYGMRXYTBR-SFHVURJKSA-N 1 0 355.438 4.334 20 5 FIBDRO CN1CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000447589118 1109589054 /nfs/dbraw/zinc/58/90/54/1109589054.db2.gz WXTHTDIZDRTGLH-QHAWAJNXSA-N 1 0 351.450 4.007 20 5 FIBDRO Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447597854 1109591452 /nfs/dbraw/zinc/59/14/52/1109591452.db2.gz GEIADCBCVNLMFG-MSOLQXFVSA-N 1 0 368.437 4.162 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000526061807 1109613649 /nfs/dbraw/zinc/61/36/49/1109613649.db2.gz VAHHCICZIBFZMZ-QFSNBGPKSA-N 1 0 372.387 4.023 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000527039127 1109674650 /nfs/dbraw/zinc/67/46/50/1109674650.db2.gz XLRMFFXUQHTQHZ-KAMYIIQDSA-N 1 0 362.376 4.432 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000449072488 1109972993 /nfs/dbraw/zinc/97/29/93/1109972993.db2.gz PTVVHUMQNCQYAC-CABCVRRESA-N 1 0 367.449 4.225 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000449171173 1109987899 /nfs/dbraw/zinc/98/78/99/1109987899.db2.gz KIVOSNAKVAZYGD-WAOWUJCRSA-N 1 0 367.493 4.026 20 5 FIBDRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000237495814 1109996872 /nfs/dbraw/zinc/99/68/72/1109996872.db2.gz QASRFZZGUJFCAB-CQSZACIVSA-N 1 0 364.392 4.350 20 5 FIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000237497432 1109997075 /nfs/dbraw/zinc/99/70/75/1109997075.db2.gz YFCMBWCAUDOTKR-ZIAGYGMSSA-N 1 0 367.405 4.409 20 5 FIBDRO COc1cc(F)cc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000449290653 1110023809 /nfs/dbraw/zinc/02/38/09/1110023809.db2.gz YGAPPMYGLLNDQT-UHFFFAOYSA-N 1 0 358.291 4.051 20 5 FIBDRO C[C@@H](CCO)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000449358865 1110049146 /nfs/dbraw/zinc/04/91/46/1110049146.db2.gz OZMLJSJLHOHAKW-GFCCVEGCSA-N 1 0 352.818 4.006 20 5 FIBDRO COC[C@]1(C)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000449394684 1110050166 /nfs/dbraw/zinc/05/01/66/1110050166.db2.gz OLJVFESELRNBSY-GOSISDBHSA-N 1 0 364.829 4.367 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)c2c(c1)COCO2 ZINC000449433263 1110067588 /nfs/dbraw/zinc/06/75/88/1110067588.db2.gz LJTCOOXIHBGPBH-NHYWBVRUSA-N 1 0 374.359 4.062 20 5 FIBDRO CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H]1C ZINC000449492918 1110087541 /nfs/dbraw/zinc/08/75/41/1110087541.db2.gz CUQAUINPSIYPCN-SJKOYZFVSA-N 1 0 364.829 4.365 20 5 FIBDRO COC[C@H]1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000538729769 1111266563 /nfs/dbraw/zinc/26/65/63/1111266563.db2.gz SUJHRZMEIXQNBW-SFHVURJKSA-N 1 0 369.465 4.221 20 5 FIBDRO COC[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000538731046 1111268251 /nfs/dbraw/zinc/26/82/51/1111268251.db2.gz RBFNADOEHQIYBL-MRXNPFEDSA-N 1 0 374.412 4.385 20 5 FIBDRO COc1ccc(C[N@@H+]2CCC2(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538736241 1111270773 /nfs/dbraw/zinc/27/07/73/1111270773.db2.gz LFRTXTAUWZUMGL-UHFFFAOYSA-N 1 0 356.422 4.167 20 5 FIBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000538738173 1111271414 /nfs/dbraw/zinc/27/14/14/1111271414.db2.gz DRFGHHJCASADIF-CRAIPNDOSA-N 1 0 357.454 4.159 20 5 FIBDRO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)n1 ZINC000539051192 1111400917 /nfs/dbraw/zinc/40/09/17/1111400917.db2.gz ZNBBFTKXXPEWIO-NVXWUHKLSA-N 1 0 364.449 4.371 20 5 FIBDRO C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539054856 1111402497 /nfs/dbraw/zinc/40/24/97/1111402497.db2.gz UFCMRFGUPXURQW-GHMZBOCLSA-N 1 0 374.384 4.287 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000539069918 1111417282 /nfs/dbraw/zinc/41/72/82/1111417282.db2.gz FNLIAKDCAHIFLI-KGLIPLIRSA-N 1 0 373.840 4.013 20 5 FIBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](Cc2ccccc2Cl)c2ccccc2)c1 ZINC000539310001 1111507507 /nfs/dbraw/zinc/50/75/07/1111507507.db2.gz YZNCPENGYRUGEX-LJQANCHMSA-N 1 0 370.840 4.018 20 5 FIBDRO C[C@@H]1CCC[C@H](C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000552063888 1111563567 /nfs/dbraw/zinc/56/35/67/1111563567.db2.gz QNQNRSCLSWQGNF-LORHWOILSA-N 1 0 356.470 4.080 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000478391726 1111765585 /nfs/dbraw/zinc/76/55/85/1111765585.db2.gz ZMNCZRLBISRMLB-SFHVURJKSA-N 1 0 356.397 4.468 20 5 FIBDRO COc1cc2c(cc1OC)[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000479384454 1112006154 /nfs/dbraw/zinc/00/61/54/1112006154.db2.gz DDLKPNQZSXHGSA-DYVFJYSZSA-N 1 0 356.422 4.259 20 5 FIBDRO CCC(=O)c1ccc(NCc2ccc(C[NH+](C)C)c(F)c2)c([N+](=O)[O-])c1 ZINC000480066230 1112266179 /nfs/dbraw/zinc/26/61/79/1112266179.db2.gz CTBUAXVYLKYHPP-UHFFFAOYSA-N 1 0 359.401 4.000 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000554373286 1112324372 /nfs/dbraw/zinc/32/43/72/1112324372.db2.gz FJXWQVXTGQQPHF-DLBZAZTESA-N 1 0 364.449 4.452 20 5 FIBDRO CC[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000480278553 1112370774 /nfs/dbraw/zinc/37/07/74/1112370774.db2.gz PAHYEOBISPWQIK-LEWJYISDSA-N 1 0 353.466 4.473 20 5 FIBDRO CC[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000480284778 1112373534 /nfs/dbraw/zinc/37/35/34/1112373534.db2.gz RVLBPGCIETUGJI-FQEVSTJZSA-N 1 0 350.422 4.064 20 5 FIBDRO CC[C@H]([NH2+]CCc1ccc(-n2cccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000480303973 1112378416 /nfs/dbraw/zinc/37/84/16/1112378416.db2.gz GIMODLPLWWBMHH-FQEVSTJZSA-N 1 0 350.422 4.064 20 5 FIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccc(Br)o2)cc1 ZINC000480356237 1112398091 /nfs/dbraw/zinc/39/80/91/1112398091.db2.gz OOSVLLQZDHJKJI-UHFFFAOYSA-N 1 0 353.216 4.063 20 5 FIBDRO Cc1c(C[NH2+]Cc2ccccc2OCc2cccnc2)cccc1[N+](=O)[O-] ZINC000480459133 1112438045 /nfs/dbraw/zinc/43/80/45/1112438045.db2.gz GNACINAALFCAIT-UHFFFAOYSA-N 1 0 363.417 4.167 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCO[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000480714031 1112565997 /nfs/dbraw/zinc/56/59/97/1112565997.db2.gz ZZBKMLQQPRCXHK-QOKNQOGYSA-N 1 0 350.459 4.238 20 5 FIBDRO C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000480747366 1112576030 /nfs/dbraw/zinc/57/60/30/1112576030.db2.gz SZBVOZSCQNDLBI-KBPBESRZSA-N 1 0 356.451 4.259 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCCC3)nc2)cc1[N+](=O)[O-] ZINC000480744212 1112583030 /nfs/dbraw/zinc/58/30/30/1112583030.db2.gz XQXPYCSBKDPVPT-INIZCTEOSA-N 1 0 354.454 4.139 20 5 FIBDRO CCC[C@H]([NH2+]Cc1ccc(N(CC)CC)nc1)c1cccc([N+](=O)[O-])c1 ZINC000480894133 1112659348 /nfs/dbraw/zinc/65/93/48/1112659348.db2.gz DMIXYEXQIOCOKZ-IBGZPJMESA-N 1 0 356.470 4.467 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1cc[nH]c(=O)c1 ZINC000555608425 1112944276 /nfs/dbraw/zinc/94/42/76/1112944276.db2.gz JVNBBRKTQCMVNY-LBPRGKRZSA-N 1 0 355.419 4.275 20 5 FIBDRO COc1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1O ZINC000171052611 1113307506 /nfs/dbraw/zinc/30/75/06/1113307506.db2.gz MNMADGMSOTXJCQ-UHFFFAOYSA-N 1 0 370.430 4.327 20 5 FIBDRO CC(C)(C)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1 ZINC000482712577 1113338922 /nfs/dbraw/zinc/33/89/22/1113338922.db2.gz WCTRYFBMTWRGJM-GOSISDBHSA-N 1 0 356.401 4.487 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000160763127 1113447452 /nfs/dbraw/zinc/44/74/52/1113447452.db2.gz NMPZRXNXJTUUJK-FIKGOQFSSA-N 1 0 353.466 4.156 20 5 FIBDRO CC(C)N(C)c1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000483182198 1113459015 /nfs/dbraw/zinc/45/90/15/1113459015.db2.gz XZFCISVRSUZJPF-UHFFFAOYSA-N 1 0 356.470 4.245 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCc3cccc(F)c3F)o2)c1 ZINC000489065125 1114044284 /nfs/dbraw/zinc/04/42/84/1114044284.db2.gz KADPVJLOBGLEQY-UHFFFAOYSA-N 1 0 358.344 4.465 20 5 FIBDRO CCCCCC(=O)NC1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000489129737 1114056196 /nfs/dbraw/zinc/05/61/96/1114056196.db2.gz QWYCKXGVKULHGD-INIZCTEOSA-N 1 0 361.486 4.125 20 5 FIBDRO CCCCCC(=O)NC1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000489129738 1114056276 /nfs/dbraw/zinc/05/62/76/1114056276.db2.gz QWYCKXGVKULHGD-MRXNPFEDSA-N 1 0 361.486 4.125 20 5 FIBDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cc1 ZINC000490077280 1114214101 /nfs/dbraw/zinc/21/41/01/1114214101.db2.gz DIOOLVVACPLTBJ-GDBMZVCRSA-N 1 0 351.406 4.422 20 5 FIBDRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000490083930 1114216587 /nfs/dbraw/zinc/21/65/87/1114216587.db2.gz VECSPTUTRZSQDP-WBVHZDCISA-N 1 0 368.433 4.148 20 5 FIBDRO CC[C@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000490171812 1114230039 /nfs/dbraw/zinc/23/00/39/1114230039.db2.gz ILTLODXSYOQTJD-TZIWHRDSSA-N 1 0 353.466 4.148 20 5 FIBDRO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000491035725 1114364444 /nfs/dbraw/zinc/36/44/44/1114364444.db2.gz JZWOKVIHYALPEA-GCJKJVERSA-N 1 0 367.493 4.394 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000491095630 1114373125 /nfs/dbraw/zinc/37/31/25/1114373125.db2.gz ZUODJRRRWWCVLY-OCCSQVGLSA-N 1 0 370.396 4.012 20 5 FIBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000586790902 1114394356 /nfs/dbraw/zinc/39/43/56/1114394356.db2.gz DJGYDXPFRJUJRD-CYBMUJFWSA-N 1 0 355.394 4.115 20 5 FIBDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000055152140 1114421380 /nfs/dbraw/zinc/42/13/80/1114421380.db2.gz RNSVBDKJOOHGKJ-CABCVRRESA-N 1 0 371.437 4.060 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000571466971 1114466341 /nfs/dbraw/zinc/46/63/41/1114466341.db2.gz LJHWNTDMSMJVOY-OAQYLSRUSA-N 1 0 369.465 4.062 20 5 FIBDRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000056157028 1114616075 /nfs/dbraw/zinc/61/60/75/1114616075.db2.gz DTYSBUCJYRWLQL-HUUCEWRRSA-N 1 0 371.437 4.060 20 5 FIBDRO CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000056170589 1114640270 /nfs/dbraw/zinc/64/02/70/1114640270.db2.gz NAIJKNKOOHDOKR-LSDHHAIUSA-N 1 0 371.437 4.060 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000056197255 1114658283 /nfs/dbraw/zinc/65/82/83/1114658283.db2.gz ZXQRWEJZDGTIHS-CABCVRRESA-N 1 0 363.417 4.426 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2ccccc21 ZINC000056197253 1114658370 /nfs/dbraw/zinc/65/83/70/1114658370.db2.gz ZXQRWEJZDGTIHS-GJZGRUSLSA-N 1 0 363.417 4.426 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCSc4ccccc43)c2c1 ZINC000588960041 1114681246 /nfs/dbraw/zinc/68/12/46/1114681246.db2.gz YBAUNIKSLSAIER-SFHVURJKSA-N 1 0 353.447 4.445 20 5 FIBDRO CCOc1ccccc1[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588959285 1114681319 /nfs/dbraw/zinc/68/13/19/1114681319.db2.gz VIJQCRSKJAXDIA-CQSZACIVSA-N 1 0 353.422 4.368 20 5 FIBDRO CCOC(=O)C1CCC([N@H+](CC)Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000572850784 1114806892 /nfs/dbraw/zinc/80/68/92/1114806892.db2.gz GHMHWURMLUFVII-UHFFFAOYSA-N 1 0 368.861 4.192 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000590180652 1114904829 /nfs/dbraw/zinc/90/48/29/1114904829.db2.gz SIRZYTFHOBKAFJ-UHFFFAOYSA-N 1 0 358.360 4.006 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CCC(OC(F)F)CC2)o1 ZINC000590662479 1114961121 /nfs/dbraw/zinc/96/11/21/1114961121.db2.gz UILGJOMTGDQTHR-UHFFFAOYSA-N 1 0 366.364 4.495 20 5 FIBDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)o1 ZINC000590872504 1114989061 /nfs/dbraw/zinc/98/90/61/1114989061.db2.gz GFUSUSGVWYYNEW-UHFFFAOYSA-N 1 0 374.441 4.102 20 5 FIBDRO Cn1nc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000591348128 1115068263 /nfs/dbraw/zinc/06/82/63/1115068263.db2.gz TVCAETWPBOGHNE-SFHVURJKSA-N 1 0 350.422 4.039 20 5 FIBDRO CC[C@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000760904472 1115168398 /nfs/dbraw/zinc/16/83/98/1115168398.db2.gz BSXDXBQKMFATCM-CKHPTIKVSA-N 1 0 354.450 4.466 20 5 FIBDRO CCCC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCc2ncsc2C1 ZINC000592187201 1115220243 /nfs/dbraw/zinc/22/02/43/1115220243.db2.gz ICLGUJGVZGOPCY-ZDUSSCGKSA-N 1 0 351.497 4.272 20 5 FIBDRO CSC1(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[NH+](C)CC1 ZINC000574247433 1115319412 /nfs/dbraw/zinc/31/94/12/1115319412.db2.gz VJGUNBZLJJNJIX-UHFFFAOYSA-N 1 0 364.298 4.141 20 5 FIBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000593870865 1115352456 /nfs/dbraw/zinc/35/24/56/1115352456.db2.gz FEYMMGXXCYAKDK-CALCHBBNSA-N 1 0 361.489 4.381 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000574471244 1115374515 /nfs/dbraw/zinc/37/45/15/1115374515.db2.gz ATAPSNTWFNUZSS-HUQFFUELSA-N 1 0 352.434 4.102 20 5 FIBDRO CC(C)c1ccc(C[NH2+]Cc2cccnc2N2CCCC2)cc1[N+](=O)[O-] ZINC000594957475 1115502364 /nfs/dbraw/zinc/50/23/64/1115502364.db2.gz POBLBKKGCFYPRR-UHFFFAOYSA-N 1 0 354.454 4.003 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000595015867 1115504286 /nfs/dbraw/zinc/50/42/86/1115504286.db2.gz UNLLPCPNRCPZPJ-GFCCVEGCSA-N 1 0 366.364 4.098 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000595023922 1115505130 /nfs/dbraw/zinc/50/51/30/1115505130.db2.gz ZZVAAIVGQPHYAI-DNVCBOLYSA-N 1 0 372.465 4.056 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000595005400 1115507154 /nfs/dbraw/zinc/50/71/54/1115507154.db2.gz YSTJRNHEMDINFD-NSHDSACASA-N 1 0 370.327 4.353 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1ccnc2ccccc12 ZINC000595072587 1115509724 /nfs/dbraw/zinc/50/97/24/1115509724.db2.gz HQOCRXOIHTUDJO-AWEZNQCLSA-N 1 0 351.406 4.045 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000595031397 1115510278 /nfs/dbraw/zinc/51/02/78/1115510278.db2.gz FOKNEHUEKOBTRP-CRFBAAHOSA-N 1 0 374.412 4.313 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000595032616 1115510710 /nfs/dbraw/zinc/51/07/10/1115510710.db2.gz OBHSMDTVRCLEKK-QOKNQOGYSA-N 1 0 356.422 4.174 20 5 FIBDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041146 1115510889 /nfs/dbraw/zinc/51/08/89/1115510889.db2.gz YSDPAVRWAUGQBP-PIGZYNQJSA-N 1 0 360.385 4.089 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]CCc2noc3ccccc32)c2cc([N+](=O)[O-])ccc21 ZINC000595047846 1115511927 /nfs/dbraw/zinc/51/19/27/1115511927.db2.gz GCUFLFSZRWYVNG-GOSISDBHSA-N 1 0 351.406 4.291 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000595049215 1115512036 /nfs/dbraw/zinc/51/20/36/1115512036.db2.gz HGPZNKFFEPIAHY-LSBZLQRGSA-N 1 0 356.422 4.174 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000595053537 1115512439 /nfs/dbraw/zinc/51/24/39/1115512439.db2.gz VYIJHJPLOBHLMS-PBFPGSCMSA-N 1 0 362.451 4.236 20 5 FIBDRO COc1ccccc1-c1cc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])on1 ZINC000595105848 1115516376 /nfs/dbraw/zinc/51/63/76/1115516376.db2.gz ZMJYJLQZILDJCH-QGZVFWFLSA-N 1 0 365.389 4.036 20 5 FIBDRO Cc1cncc(CC[NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000595088388 1115517629 /nfs/dbraw/zinc/51/76/29/1115517629.db2.gz BKZCCGCYWZETLK-CQSZACIVSA-N 1 0 368.462 4.315 20 5 FIBDRO CCC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000595089054 1115517709 /nfs/dbraw/zinc/51/77/09/1115517709.db2.gz XYGMTMPOEAPJMO-LSTHTHJFSA-N 1 0 356.470 4.171 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2Sc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000595418112 1115534933 /nfs/dbraw/zinc/53/49/33/1115534933.db2.gz CCSFBGUBSOVQKN-ACJLOTCBSA-N 1 0 371.462 4.057 20 5 FIBDRO O=[N+]([O-])c1cc(F)ccc1CN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000595425706 1115535612 /nfs/dbraw/zinc/53/56/12/1115535612.db2.gz KJPNEQXRIZOKLB-LJQANCHMSA-N 1 0 357.429 4.051 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)[C@H]1CC[C@H](O)CC1 ZINC000595561264 1115540431 /nfs/dbraw/zinc/54/04/31/1115540431.db2.gz DNFRTCFSRSEPFW-QQXMDYFESA-N 1 0 358.482 4.137 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H](C4CCCCC4)C3)o2)cc1 ZINC000595734500 1115560182 /nfs/dbraw/zinc/56/01/82/1115560182.db2.gz MVAOBTSONTXFNK-INIZCTEOSA-N 1 0 356.426 4.047 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)C1CCC(F)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595821134 1115562687 /nfs/dbraw/zinc/56/26/87/1115562687.db2.gz XBANZPIAGKUOKX-ZFDZMSFRSA-N 1 0 371.840 4.082 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCC(F)CC1 ZINC000595821120 1115562754 /nfs/dbraw/zinc/56/27/54/1115562754.db2.gz XBANZPIAGKUOKX-IALDZJHCSA-N 1 0 371.840 4.082 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCCCO4)C3)co2)cc1 ZINC000595786908 1115563315 /nfs/dbraw/zinc/56/33/15/1115563315.db2.gz IXLWUKGFTZCFHL-LPHOPBHVSA-N 1 0 371.437 4.031 20 5 FIBDRO CCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CCCCC1 ZINC000060495338 1115648655 /nfs/dbraw/zinc/64/86/55/1115648655.db2.gz HJWCWABUDSWABR-UHFFFAOYSA-N 1 0 358.442 4.437 20 5 FIBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC1CC1 ZINC000598963702 1115771816 /nfs/dbraw/zinc/77/18/16/1115771816.db2.gz BGPMOKKSKFQOGS-CQSZACIVSA-N 1 0 356.422 4.304 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)o2)c(Cl)c1 ZINC000599008185 1115776614 /nfs/dbraw/zinc/77/66/14/1115776614.db2.gz VOKFCENJWBBZIA-KZULUSFZSA-N 1 0 362.813 4.165 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)cc1[N+](=O)[O-] ZINC000599035998 1115780468 /nfs/dbraw/zinc/78/04/68/1115780468.db2.gz XCWLUJABVVHNIE-OAHLLOKOSA-N 1 0 350.777 4.173 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCC4(CC4(F)F)CC3)cs2)c1 ZINC000593674259 1115788049 /nfs/dbraw/zinc/78/80/49/1115788049.db2.gz XMHUQSWOZMDIKQ-UHFFFAOYSA-N 1 0 365.405 4.340 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](c2ccc(OC)nc2)C2CC2)cc1[N+](=O)[O-] ZINC000599095995 1115789131 /nfs/dbraw/zinc/78/91/31/1115789131.db2.gz KCIILGFBIZDBPX-ZUOKHONESA-N 1 0 371.437 4.199 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](c2ccc(OC)nc2)C2CC2)cc1[N+](=O)[O-] ZINC000599095994 1115789310 /nfs/dbraw/zinc/78/93/10/1115789310.db2.gz KCIILGFBIZDBPX-XCLFUZPHSA-N 1 0 371.437 4.199 20 5 FIBDRO O=[N+]([O-])c1ccc([C@H](NCCCCC[NH+]2CCCC2)C(F)(F)F)cc1 ZINC000593710515 1115801979 /nfs/dbraw/zinc/80/19/79/1115801979.db2.gz IOPPYTQZYDEKHQ-INIZCTEOSA-N 1 0 359.392 4.054 20 5 FIBDRO CC[NH+](CC)Cc1ccc(CNc2ccc3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000603844710 1115820481 /nfs/dbraw/zinc/82/04/81/1115820481.db2.gz PLYCDEYHUJQFGR-UHFFFAOYSA-N 1 0 364.449 4.019 20 5 FIBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3cccnc3[N+](=O)[O-])cc2)C1 ZINC000603862277 1115822908 /nfs/dbraw/zinc/82/29/08/1115822908.db2.gz KYLQYYBIJGWAPK-IYBDPMFKSA-N 1 0 354.454 4.080 20 5 FIBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2cccnc2[N+](=O)[O-])C1 ZINC000603862334 1115823003 /nfs/dbraw/zinc/82/30/03/1115823003.db2.gz PJRXPSCRBWGQPF-IYBDPMFKSA-N 1 0 354.454 4.080 20 5 FIBDRO CSCC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000604478480 1115866555 /nfs/dbraw/zinc/86/65/55/1115866555.db2.gz GREASLQXHKFRBU-UHFFFAOYSA-N 1 0 352.843 4.493 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000604520782 1115867257 /nfs/dbraw/zinc/86/72/57/1115867257.db2.gz PTIRUKPDJCIWLV-LAUBAEHRSA-N 1 0 370.449 4.203 20 5 FIBDRO CC[C@H](c1ccccc1)[N@H+](CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000604493274 1115867544 /nfs/dbraw/zinc/86/75/44/1115867544.db2.gz BKGRHGXZROFUFL-QGZVFWFLSA-N 1 0 355.438 4.315 20 5 FIBDRO CCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000604492864 1115867650 /nfs/dbraw/zinc/86/76/50/1115867650.db2.gz KXEQCAQAFIVMBD-SFHVURJKSA-N 1 0 367.449 4.241 20 5 FIBDRO O=[N+]([O-])c1ccc(COc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000063457453 1116070095 /nfs/dbraw/zinc/07/00/95/1116070095.db2.gz GKPXZPAEXQOOLL-UHFFFAOYSA-N 1 0 356.422 4.039 20 5 FIBDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000608780187 1116128324 /nfs/dbraw/zinc/12/83/24/1116128324.db2.gz IZCUDRNHGAZPOT-UHFFFAOYSA-N 1 0 369.396 4.454 20 5 FIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCC[C@@H]1C ZINC000608836317 1116131288 /nfs/dbraw/zinc/13/12/88/1116131288.db2.gz HWCNGVQCFKCFAD-HOTGVXAUSA-N 1 0 357.454 4.207 20 5 FIBDRO CSc1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1[N+](=O)[O-] ZINC000456270074 1116173391 /nfs/dbraw/zinc/17/33/91/1116173391.db2.gz VBVUGFXAMWJSTO-INIZCTEOSA-N 1 0 371.462 4.118 20 5 FIBDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000609064336 1116197301 /nfs/dbraw/zinc/19/73/01/1116197301.db2.gz ZFZVVVDMMAXNEH-UHFFFAOYSA-N 1 0 353.422 4.209 20 5 FIBDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000534974866 1116257113 /nfs/dbraw/zinc/25/71/13/1116257113.db2.gz BMNOATHKIPLADZ-GFCCVEGCSA-N 1 0 364.829 4.290 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000152768500 1116323873 /nfs/dbraw/zinc/32/38/73/1116323873.db2.gz CJQGAZFZFJBVLE-STQMWFEESA-N 1 0 358.394 4.134 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(COCc3ccco3)c2)cc1 ZINC000539448281 1116336962 /nfs/dbraw/zinc/33/69/62/1116336962.db2.gz RNBWUDMMVWLSTR-UHFFFAOYSA-N 1 0 352.390 4.194 20 5 FIBDRO CC(C)[NH+]1CCN(c2cccc(N[C@H](C)c3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000539647673 1116359972 /nfs/dbraw/zinc/35/99/72/1116359972.db2.gz GCTHRAPINHYVAI-QGZVFWFLSA-N 1 0 368.481 4.298 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC000539765063 1116377412 /nfs/dbraw/zinc/37/74/12/1116377412.db2.gz JFHRJULGRJGSSB-KRWDZBQOSA-N 1 0 369.469 4.140 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000595045785 1116380630 /nfs/dbraw/zinc/38/06/30/1116380630.db2.gz HGPZNKFFEPIAHY-YJLNNSPDSA-N 1 0 356.422 4.174 20 5 FIBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H](CCO)c1ccccc1 ZINC000539826339 1116386977 /nfs/dbraw/zinc/38/69/77/1116386977.db2.gz OCUJAICQSUXDPC-LJQANCHMSA-N 1 0 366.417 4.410 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)Oc1ccccc1Cl ZINC000462735937 1117741824 /nfs/dbraw/zinc/74/18/24/1117741824.db2.gz RKEFXOXKJVHETI-ZDUSSCGKSA-N 1 0 364.829 4.204 20 5 FIBDRO Cc1ccccc1O[C@@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000462735404 1117741847 /nfs/dbraw/zinc/74/18/47/1117741847.db2.gz DCLNTCDOYPBZML-ZDUSSCGKSA-N 1 0 366.364 4.062 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(CN[C@H]3CC[N@H+](CC4CCCC4)C3)o2)c1 ZINC000462740095 1117743600 /nfs/dbraw/zinc/74/36/00/1117743600.db2.gz RINRXMUPGGGFBU-SFHVURJKSA-N 1 0 369.465 4.209 20 5 FIBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000462763855 1117754711 /nfs/dbraw/zinc/75/47/11/1117754711.db2.gz PNFABWLZYIAIKE-RBUKOAKNSA-N 1 0 356.422 4.292 20 5 FIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000539992826 1117790811 /nfs/dbraw/zinc/79/08/11/1117790811.db2.gz HGXXDADKQXZLID-GUTXKFCHSA-N 1 0 369.412 4.038 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(c3ccccc3F)C1)CCC2 ZINC000462820328 1117796104 /nfs/dbraw/zinc/79/61/04/1117796104.db2.gz XXWGROILBVJAEX-YWZLYKJASA-N 1 0 369.440 4.227 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CCOc2cccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000540151282 1117906122 /nfs/dbraw/zinc/90/61/22/1117906122.db2.gz MFGLPGAYUKKTNX-LBPRGKRZSA-N 1 0 369.343 4.047 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCOc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000540170067 1117911710 /nfs/dbraw/zinc/91/17/10/1117911710.db2.gz VSOBIANJYSSDGF-GFCCVEGCSA-N 1 0 366.364 4.001 20 5 FIBDRO C[C@@H]([NH2+]CCCOc1cccc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000540179232 1117923897 /nfs/dbraw/zinc/92/38/97/1117923897.db2.gz PLVMUHFCFGMQGO-OAHLLOKOSA-N 1 0 351.406 4.263 20 5 FIBDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000540522497 1118106405 /nfs/dbraw/zinc/10/64/05/1118106405.db2.gz SXUQKVJBFSSEMJ-XFHNUULXSA-N 1 0 373.840 4.174 20 5 FIBDRO C[C@@H]1C[C@H]1[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000540522496 1118106688 /nfs/dbraw/zinc/10/66/88/1118106688.db2.gz SXUQKVJBFSSEMJ-PEELUZDISA-N 1 0 373.840 4.174 20 5 FIBDRO C[C@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000540789394 1118248158 /nfs/dbraw/zinc/24/81/58/1118248158.db2.gz PMIJMPCSZBSSJT-ZACQAIPSSA-N 1 0 369.465 4.377 20 5 FIBDRO CCC[C@@H](Nc1cccc(OCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000540843405 1118272603 /nfs/dbraw/zinc/27/26/03/1118272603.db2.gz YELUXUDDHLAUTE-HXUWFJFHSA-N 1 0 357.454 4.489 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000540866508 1118285519 /nfs/dbraw/zinc/28/55/19/1118285519.db2.gz VSLSOSTXJNULTG-QGZVFWFLSA-N 1 0 369.469 4.140 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H](NCCC[NH+]2CCCCC2)c2ccccc2)c1 ZINC000491309916 1118417398 /nfs/dbraw/zinc/41/73/98/1118417398.db2.gz ZXBWPCXEPCAHAP-OAQYLSRUSA-N 1 0 353.466 4.150 20 5 FIBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC(F)F)cc1 ZINC000122440530 1118525681 /nfs/dbraw/zinc/52/56/81/1118525681.db2.gz YCAYCSDWWUPDKN-MRXNPFEDSA-N 1 0 366.364 4.446 20 5 FIBDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000541555808 1118561621 /nfs/dbraw/zinc/56/16/21/1118561621.db2.gz NNRDBWMOXYQDJU-KZULUSFZSA-N 1 0 364.829 4.123 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541701959 1118616927 /nfs/dbraw/zinc/61/69/27/1118616927.db2.gz ZTWZRZBPLQGYGD-PXNSSMCTSA-N 1 0 374.412 4.095 20 5 FIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000464722324 1118671740 /nfs/dbraw/zinc/67/17/40/1118671740.db2.gz DSRPVNUFGYMKLV-UHFFFAOYSA-N 1 0 367.449 4.394 20 5 FIBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000464780447 1118692355 /nfs/dbraw/zinc/69/23/55/1118692355.db2.gz SUFHBRFYLZMNSO-WBVHZDCISA-N 1 0 352.500 4.488 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464834107 1118708035 /nfs/dbraw/zinc/70/80/35/1118708035.db2.gz FYTDOVPGXNFSQV-PKOBYXMFSA-N 1 0 353.466 4.110 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000542132915 1118808531 /nfs/dbraw/zinc/80/85/31/1118808531.db2.gz KAMLQUMXZMSPQH-KRWDZBQOSA-N 1 0 356.470 4.353 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000549865183 1118953080 /nfs/dbraw/zinc/95/30/80/1118953080.db2.gz DDTFDXISMCJRBG-MRXNPFEDSA-N 1 0 358.360 4.006 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(C)(C)O ZINC000549907407 1118969942 /nfs/dbraw/zinc/96/99/42/1118969942.db2.gz GECBCQXGOSKQQI-SFHVURJKSA-N 1 0 362.401 4.165 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1OCCc2sccc21 ZINC000492023976 1119004629 /nfs/dbraw/zinc/00/46/29/1119004629.db2.gz NVKXPLLAAWHSCC-QLJPJBMISA-N 1 0 352.843 4.102 20 5 FIBDRO CCOc1cc(C[NH+]2CCC(OCC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000492667734 1119158503 /nfs/dbraw/zinc/15/85/03/1119158503.db2.gz FTKPPZGYDDOADO-UHFFFAOYSA-N 1 0 362.470 4.165 20 5 FIBDRO CCOc1cc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000492777058 1119186036 /nfs/dbraw/zinc/18/60/36/1119186036.db2.gz WZMREOPQLJXEMX-INIZCTEOSA-N 1 0 369.465 4.445 20 5 FIBDRO C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761510510 1119404924 /nfs/dbraw/zinc/40/49/24/1119404924.db2.gz GRHXMGVMUPDCCQ-UHFFFAOYSA-N 1 0 356.756 4.482 20 5 FIBDRO COc1ccccc1OC[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761526001 1119411956 /nfs/dbraw/zinc/41/19/56/1119411956.db2.gz FZUBIJLVLJVFIX-ZDUSSCGKSA-N 1 0 364.829 4.062 20 5 FIBDRO Cc1cccc(NCC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000493989537 1119519538 /nfs/dbraw/zinc/51/95/38/1119519538.db2.gz LGPXTXPFGHFBFK-OAQYLSRUSA-N 1 0 362.433 4.089 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CC(C)(C)CCCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542474843 1119556883 /nfs/dbraw/zinc/55/68/83/1119556883.db2.gz OZPGMHSPXNZQBL-LJQANCHMSA-N 1 0 360.454 4.228 20 5 FIBDRO C/C(=C\c1ccccc1)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000494269289 1119816756 /nfs/dbraw/zinc/81/67/56/1119816756.db2.gz WTSMQPWOGVXYBO-DTQAZKPQSA-N 1 0 367.449 4.267 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)cc(C(F)(F)F)c1 ZINC000494514158 1119884417 /nfs/dbraw/zinc/88/44/17/1119884417.db2.gz WCUXSFDURWWBNA-OWCLPIDISA-N 1 0 370.371 4.051 20 5 FIBDRO COc1cc(C[NH2+]Cc2ccc(C3CCC3)cc2)c([N+](=O)[O-])cc1OC ZINC000494840823 1120339818 /nfs/dbraw/zinc/33/98/18/1120339818.db2.gz VIYOXWLQNLMVMG-UHFFFAOYSA-N 1 0 356.422 4.169 20 5 FIBDRO Cc1ccc(NC(=O)[C@H]([NH2+]C2(C3CC3)CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000542522586 1120378315 /nfs/dbraw/zinc/37/83/15/1120378315.db2.gz WEULBQNGVWOUTQ-LJQANCHMSA-N 1 0 365.433 4.115 20 5 FIBDRO CC[NH+](CC)Cc1cccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000914841078 1120555911 /nfs/dbraw/zinc/55/59/11/1120555911.db2.gz KPBRDRVGXOTHNG-RAXLEYEMSA-N 1 0 353.422 4.089 20 5 FIBDRO C[C@H]([NH2+]CCNc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000495414790 1120798113 /nfs/dbraw/zinc/79/81/13/1120798113.db2.gz JZTHOZRMJFZEJJ-LBPRGKRZSA-N 1 0 364.243 4.120 20 5 FIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1nc2c(s1)CCCC2 ZINC000495421008 1120807185 /nfs/dbraw/zinc/80/71/85/1120807185.db2.gz MXAIFUDUYRVIAO-LLVKDONJSA-N 1 0 365.886 4.477 20 5 FIBDRO O=[N+]([O-])c1ccc(N[C@H](C[NH+]2CCCC2)c2ccccc2)c2ccncc21 ZINC000301088246 1121001490 /nfs/dbraw/zinc/00/14/90/1121001490.db2.gz UNALZQHKUFJIJH-HXUWFJFHSA-N 1 0 362.433 4.392 20 5 FIBDRO COc1cc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)ccc1SC ZINC000089580930 1121058507 /nfs/dbraw/zinc/05/85/07/1121058507.db2.gz GUJXZTKOFPZPCF-ZDUSSCGKSA-N 1 0 362.451 4.055 20 5 FIBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000076776759 1121098712 /nfs/dbraw/zinc/09/87/12/1121098712.db2.gz KGZHZSYTVSPLBI-GOSISDBHSA-N 1 0 364.405 4.290 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000326406445 1121160362 /nfs/dbraw/zinc/16/03/62/1121160362.db2.gz IXTSMUQFNVYLAJ-NXHRZFHOSA-N 1 0 352.862 4.154 20 5 FIBDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000552875481 1121342875 /nfs/dbraw/zinc/34/28/75/1121342875.db2.gz VSCVCXQQDJEUQG-YVEFUNNKSA-N 1 0 364.829 4.413 20 5 FIBDRO CC(=O)c1cc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000552996719 1121516775 /nfs/dbraw/zinc/51/67/75/1121516775.db2.gz DORXEUKLZFXDOO-OAHLLOKOSA-N 1 0 373.478 4.183 20 5 FIBDRO COc1cc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1OC(F)F ZINC000553219867 1122026306 /nfs/dbraw/zinc/02/63/06/1122026306.db2.gz QHWIVOSYGWCQKS-LBPRGKRZSA-N 1 0 366.364 4.364 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000553285265 1122058876 /nfs/dbraw/zinc/05/88/76/1122058876.db2.gz SMCABMZHAXIRKR-OAQYLSRUSA-N 1 0 367.449 4.363 20 5 FIBDRO Cc1cc(C)n(-c2ccc(CC[NH2+]Cc3cccc([N+](=O)[O-])c3C)cc2)n1 ZINC000917137743 1122193901 /nfs/dbraw/zinc/19/39/01/1122193901.db2.gz ZDEBHUAWWOCHQL-UHFFFAOYSA-N 1 0 364.449 4.038 20 5 FIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCC3)CC2)cc1OC(F)F ZINC000301527659 1122199521 /nfs/dbraw/zinc/19/95/21/1122199521.db2.gz JTKMTXDFEPFLHJ-UHFFFAOYSA-N 1 0 355.385 4.015 20 5 FIBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H](c3cccs3)[NH+]3CCCC3)ccc2c1 ZINC000301557548 1122220125 /nfs/dbraw/zinc/22/01/25/1122220125.db2.gz XAXZBURLISOMJM-KRWDZBQOSA-N 1 0 368.462 4.454 20 5 FIBDRO CSC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000153615417 1122243935 /nfs/dbraw/zinc/24/39/35/1122243935.db2.gz KPHBGZJGZWEPLO-SJCJKPOMSA-N 1 0 366.508 4.088 20 5 FIBDRO CC[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153616286 1122244713 /nfs/dbraw/zinc/24/47/13/1122244713.db2.gz AILIMBDXYVLSDK-FQEVSTJZSA-N 1 0 354.450 4.384 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000542686832 1122282095 /nfs/dbraw/zinc/28/20/95/1122282095.db2.gz NLYZRADYCVAALY-UHFFFAOYSA-N 1 0 361.854 4.499 20 5 FIBDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000609280915 1122680057 /nfs/dbraw/zinc/68/00/57/1122680057.db2.gz WNAHQNVHOIIXFU-KRWDZBQOSA-N 1 0 356.422 4.209 20 5 FIBDRO CCC[C@]1(COC)CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000194923917 1123011847 /nfs/dbraw/zinc/01/18/47/1123011847.db2.gz UVMAJMMISOCUQX-HXUWFJFHSA-N 1 0 373.453 4.073 20 5 FIBDRO CCC[N@@H+]1CC[C@@H](CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000919722946 1123109873 /nfs/dbraw/zinc/10/98/73/1123109873.db2.gz UWWQMJGDNRFMNW-JTQLQIEISA-N 1 0 365.783 4.411 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](C)C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000072727480 1123135731 /nfs/dbraw/zinc/13/57/31/1123135731.db2.gz OKCDAVUNIOVHFS-AWEZNQCLSA-N 1 0 356.422 4.071 20 5 FIBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1[N+](=O)[O-] ZINC000557027669 1123322139 /nfs/dbraw/zinc/32/21/39/1123322139.db2.gz SPWUHAMQOWDMGD-MRXNPFEDSA-N 1 0 369.469 4.093 20 5 FIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)C1 ZINC000609441895 1123714227 /nfs/dbraw/zinc/71/42/27/1123714227.db2.gz VFAJAIVNQIBDTL-CQSZACIVSA-N 1 0 371.412 4.218 20 5 FIBDRO CCc1ccc(-c2noc([C@H](C)[NH2+]CCc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000542620764 1123757265 /nfs/dbraw/zinc/75/72/65/1123757265.db2.gz BEVOVGIDOQCNHA-AWEZNQCLSA-N 1 0 366.421 4.101 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](c2cccnc2)C2CCCCC2)cc1 ZINC000609586646 1123760283 /nfs/dbraw/zinc/76/02/83/1123760283.db2.gz PTUYHGCGXRUHCX-HXUWFJFHSA-N 1 0 355.438 4.280 20 5 FIBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609600774 1123765227 /nfs/dbraw/zinc/76/52/27/1123765227.db2.gz QWUUFEJQRNSMOY-HUUCEWRRSA-N 1 0 374.510 4.071 20 5 FIBDRO C[C@@H](CCc1ccco1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609598493 1123769674 /nfs/dbraw/zinc/76/96/74/1123769674.db2.gz RZPNBRSZBDRTRJ-ZDUSSCGKSA-N 1 0 357.435 4.422 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCc2ccc(Br)cc2F)c1 ZINC000609709069 1123804141 /nfs/dbraw/zinc/80/41/41/1123804141.db2.gz QOOWVKPPZXJQEG-UHFFFAOYSA-N 1 0 367.218 4.219 20 5 FIBDRO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000609762403 1123835102 /nfs/dbraw/zinc/83/51/02/1123835102.db2.gz IBMZKMYFADFDSP-IBGZPJMESA-N 1 0 369.421 4.200 20 5 FIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000609800965 1123839956 /nfs/dbraw/zinc/83/99/56/1123839956.db2.gz YCNJHRSWIWOITO-IBGZPJMESA-N 1 0 358.463 4.154 20 5 FIBDRO CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000609825920 1123850290 /nfs/dbraw/zinc/85/02/90/1123850290.db2.gz BKCPFUSLZFLYGX-WBMJQRKESA-N 1 0 372.412 4.127 20 5 FIBDRO CN(C)c1ccccc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000610150963 1123947931 /nfs/dbraw/zinc/94/79/31/1123947931.db2.gz VRAHDJVFQCDADR-UHFFFAOYSA-N 1 0 351.406 4.211 20 5 FIBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[N@H+](C)Cc1ccccc1 ZINC000301246342 1123966897 /nfs/dbraw/zinc/96/68/97/1123966897.db2.gz LFVYSDUIBJMTAW-OAHLLOKOSA-N 1 0 350.422 4.075 20 5 FIBDRO COc1ccccc1OCCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000615721256 1124106842 /nfs/dbraw/zinc/10/68/42/1124106842.db2.gz PCMWIKFHMGJRKG-DTQAZKPQSA-N 1 0 356.422 4.065 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2cccc(CO)c2)s1 ZINC000237988344 1124229210 /nfs/dbraw/zinc/22/92/10/1124229210.db2.gz HZJWQFXACRKHJS-UHFFFAOYSA-N 1 0 354.431 4.105 20 5 FIBDRO CC(C)Oc1ccc([C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000554088017 1124278308 /nfs/dbraw/zinc/27/83/08/1124278308.db2.gz IKKULDWQTAKUPU-IIBYNOLFSA-N 1 0 371.481 4.336 20 5 FIBDRO CC[C@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCOC1 ZINC000616487702 1124334425 /nfs/dbraw/zinc/33/44/25/1124334425.db2.gz HCYZKXJMBDIUCH-KRWDZBQOSA-N 1 0 350.802 4.167 20 5 FIBDRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000153714429 1124361882 /nfs/dbraw/zinc/36/18/82/1124361882.db2.gz WWPUKHMXGZYYDR-CQSZACIVSA-N 1 0 368.412 4.387 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(-n2ccnc2C)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000153721388 1124367359 /nfs/dbraw/zinc/36/73/59/1124367359.db2.gz ZIOKTZSMNMXWBK-IBGZPJMESA-N 1 0 368.412 4.469 20 5 FIBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000616994122 1124424590 /nfs/dbraw/zinc/42/45/90/1124424590.db2.gz UYUQLDAGRIVYAP-INIZCTEOSA-N 1 0 361.489 4.238 20 5 FIBDRO COc1cc(NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000462786496 1124517001 /nfs/dbraw/zinc/51/70/01/1124517001.db2.gz YMEOAPGASKONOI-INIZCTEOSA-N 1 0 369.465 4.447 20 5 FIBDRO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(-c2cnn(C)c2)c1 ZINC000554923151 1124836749 /nfs/dbraw/zinc/83/67/49/1124836749.db2.gz QBPNRGWSARRXSD-UHFFFAOYSA-N 1 0 370.840 4.247 20 5 FIBDRO C[NH+](C)Cc1ccnc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000181526782 1125000157 /nfs/dbraw/zinc/00/01/57/1125000157.db2.gz VUUINIJFIJSSOJ-UHFFFAOYSA-N 1 0 368.462 4.392 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)o1 ZINC000618197870 1125112278 /nfs/dbraw/zinc/11/22/78/1125112278.db2.gz NTHYTAMPOMPQAX-MRXNPFEDSA-N 1 0 364.401 4.208 20 5 FIBDRO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181814652 1125143924 /nfs/dbraw/zinc/14/39/24/1125143924.db2.gz KYPGQNXNVZDDSD-ZDUSSCGKSA-N 1 0 361.829 4.154 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)cnc1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000301736950 1125172076 /nfs/dbraw/zinc/17/20/76/1125172076.db2.gz HZZUAJBUQTWJRM-UHFFFAOYSA-N 1 0 366.874 4.029 20 5 FIBDRO C[C@H]1C[C@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301748821 1125187995 /nfs/dbraw/zinc/18/79/95/1125187995.db2.gz SOWMJELOEDTRRJ-WMLDXEAASA-N 1 0 374.872 4.133 20 5 FIBDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000077421065 1125197957 /nfs/dbraw/zinc/19/79/57/1125197957.db2.gz RTRATGUHENWNFE-STQMWFEESA-N 1 0 364.829 4.147 20 5 FIBDRO CC(C)(C)Oc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000618574039 1125212825 /nfs/dbraw/zinc/21/28/25/1125212825.db2.gz SDMHNELCUKTSMG-ZWKOTPCHSA-N 1 0 372.469 4.242 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000182164646 1125269362 /nfs/dbraw/zinc/26/93/62/1125269362.db2.gz GJHCJYQYOUVOEG-GESALYCCSA-N 1 0 362.376 4.362 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2OCCc3ccccc32)c2cc([N+](=O)[O-])ccc21 ZINC000618987685 1125412393 /nfs/dbraw/zinc/41/23/93/1125412393.db2.gz ZVRMKCKEZQDPOG-WOJBJXKFSA-N 1 0 352.434 4.221 20 5 FIBDRO CC(C)[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccnn1C ZINC000618988306 1125423433 /nfs/dbraw/zinc/42/34/33/1125423433.db2.gz NZYFXECNTRTEQU-SJLPKXTDSA-N 1 0 356.470 4.080 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000182344902 1125425828 /nfs/dbraw/zinc/42/58/28/1125425828.db2.gz JFTPHBFXNSGKPB-QWHCGFSZSA-N 1 0 361.829 4.234 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000619054840 1125438812 /nfs/dbraw/zinc/43/88/12/1125438812.db2.gz QHGBZZPKARETJW-HNNXBMFYSA-N 1 0 354.454 4.068 20 5 FIBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c2ncccc12 ZINC000059386703 221126258 /nfs/dbraw/zinc/12/62/58/221126258.db2.gz XRMSENDGLZZVJE-QGZVFWFLSA-N 1 0 362.433 4.220 20 5 FIBDRO Cc1cc(NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060859100 567855533 /nfs/dbraw/zinc/85/55/33/567855533.db2.gz VLWPERZQBLOOES-HOTGVXAUSA-N 1 0 369.469 4.035 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000481388965 567876797 /nfs/dbraw/zinc/87/67/97/567876797.db2.gz GELRSEWBLXDTMW-KZULUSFZSA-N 1 0 364.829 4.123 20 5 FIBDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000481387440 567876931 /nfs/dbraw/zinc/87/69/31/567876931.db2.gz BSRJNFDSDMZGLX-PIGZYNQJSA-N 1 0 352.793 4.253 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000481434954 567934255 /nfs/dbraw/zinc/93/42/55/567934255.db2.gz CGWCWXXOJRQIGE-KXBFYZLASA-N 1 0 370.453 4.025 20 5 FIBDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000481541907 568029106 /nfs/dbraw/zinc/02/91/06/568029106.db2.gz ITTDLNCZUHKIOR-MGPUTAFESA-N 1 0 357.429 4.301 20 5 FIBDRO CCC[C@@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000481536083 568033945 /nfs/dbraw/zinc/03/39/45/568033945.db2.gz QPERBLQMEBQZHU-UXHICEINSA-N 1 0 369.465 4.245 20 5 FIBDRO CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000481541908 568044257 /nfs/dbraw/zinc/04/42/57/568044257.db2.gz ITTDLNCZUHKIOR-QRWLVFNGSA-N 1 0 357.429 4.301 20 5 FIBDRO CCC[C@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000481536082 568044580 /nfs/dbraw/zinc/04/45/80/568044580.db2.gz QPERBLQMEBQZHU-PMACEKPBSA-N 1 0 369.465 4.245 20 5 FIBDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000481928060 568189257 /nfs/dbraw/zinc/18/92/57/568189257.db2.gz QAKXAQQYQLMVTC-CYBMUJFWSA-N 1 0 352.356 4.377 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1CCC(C(F)(F)F)CC1)CCO2 ZINC000568804373 568226973 /nfs/dbraw/zinc/22/69/73/568226973.db2.gz VCDDYANBRFCNPZ-UHFFFAOYSA-N 1 0 358.360 4.158 20 5 FIBDRO Cc1ccc([C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)N2CCCC2)o1 ZINC000482014301 568230644 /nfs/dbraw/zinc/23/06/44/568230644.db2.gz JGNYYEVOFYWQKP-APWZRJJASA-N 1 0 357.454 4.292 20 5 FIBDRO CC[C@@H]([NH2+]C[C@@H](c1ccc(C)o1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000482016279 568230762 /nfs/dbraw/zinc/23/07/62/568230762.db2.gz LGDJWNKBRFLMRH-MOPGFXCFSA-N 1 0 357.454 4.374 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000482035635 568235195 /nfs/dbraw/zinc/23/51/95/568235195.db2.gz BAIWOPYZGSGCIN-HNNXBMFYSA-N 1 0 351.406 4.361 20 5 FIBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)c1ccco1 ZINC000482050105 568239316 /nfs/dbraw/zinc/23/93/16/568239316.db2.gz OZNICYHPLIDITG-GOEBONIOSA-N 1 0 374.441 4.056 20 5 FIBDRO Cc1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc2cccnc12 ZINC000569267980 568323826 /nfs/dbraw/zinc/32/38/26/568323826.db2.gz HYSQIGACRNBPIV-UHFFFAOYSA-N 1 0 360.417 4.265 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C[C@H]2OC)ccc1[N+](=O)[O-] ZINC000570650052 568493722 /nfs/dbraw/zinc/49/37/22/568493722.db2.gz SNIFSZNQHAFVRW-NLWGTHIKSA-N 1 0 370.449 4.044 20 5 FIBDRO CCOC1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000570586496 568496219 /nfs/dbraw/zinc/49/62/19/568496219.db2.gz SACYVFKUWMUDNV-UHFFFAOYSA-N 1 0 361.467 4.157 20 5 FIBDRO Cc1cc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc2ccc([N+](=O)[O-])cc12 ZINC001165048926 721967726 /nfs/dbraw/zinc/96/77/26/721967726.db2.gz PQMRBPIDUYIOBE-QGZVFWFLSA-N 1 0 368.481 4.296 20 5 FIBDRO CC[NH+](CC)C1CCN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001165053728 722006057 /nfs/dbraw/zinc/00/60/57/722006057.db2.gz UGHCVGMJMUSRTF-UHFFFAOYSA-N 1 0 362.861 4.107 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000619722721 1125668082 /nfs/dbraw/zinc/66/80/82/1125668082.db2.gz VDNJIQDJAWWSSA-IAGOWNOFSA-N 1 0 368.481 4.377 20 5 FIBDRO Cc1cc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)s1 ZINC000182979315 1125709482 /nfs/dbraw/zinc/70/94/82/1125709482.db2.gz OFGJSSGWRFDYGI-ZDUSSCGKSA-N 1 0 361.467 4.261 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cccc(-c4cccnc4)c3)c2c1 ZINC000577676830 1079653099 /nfs/dbraw/zinc/65/30/99/1079653099.db2.gz UNWVBHSGIZTBBV-UHFFFAOYSA-N 1 0 372.428 4.470 20 5 FIBDRO C[NH+](C)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCCC1 ZINC000608835447 1079849779 /nfs/dbraw/zinc/84/97/79/1079849779.db2.gz FZPBVKXWCCZTQC-UHFFFAOYSA-N 1 0 357.454 4.209 20 5 FIBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000471145563 1079901027 /nfs/dbraw/zinc/90/10/27/1079901027.db2.gz YODXOBFVURCREK-UHFFFAOYSA-N 1 0 371.437 4.088 20 5 FIBDRO CC[C@@H]1CC[N@@H+]1Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000430207325 1079944593 /nfs/dbraw/zinc/94/45/93/1079944593.db2.gz QOBFPZNPQVGPRI-QGZVFWFLSA-N 1 0 356.422 4.167 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000430229096 1080035289 /nfs/dbraw/zinc/03/52/89/1080035289.db2.gz UUVMJRSFQAEVND-NSHDSACASA-N 1 0 370.327 4.353 20 5 FIBDRO C[NH2+]Cc1cn(-c2nc(Cl)c(Cl)cc2[N+](=O)[O-])c2ccc(C)cc12 ZINC001167121297 1080609306 /nfs/dbraw/zinc/60/93/06/1080609306.db2.gz IWPDUIRHQKLZEJ-UHFFFAOYSA-N 1 0 365.220 4.268 20 5 FIBDRO Cc1c(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cccc1[N+](=O)[O-] ZINC000118837796 1081207425 /nfs/dbraw/zinc/20/74/25/1081207425.db2.gz MZIPCMJVWWXEML-UHFFFAOYSA-N 1 0 350.422 4.159 20 5 FIBDRO [NH3+]Cc1cnc2c(ccn2-c2nc3c(ccc4ccccc43)nc2Cl)c1 ZINC001167311675 1081296576 /nfs/dbraw/zinc/29/65/76/1081296576.db2.gz XKSYFAIBGCFQAX-UHFFFAOYSA-N 1 0 359.820 4.234 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(CCO)CCCC3)s2)cc1 ZINC000610395545 1081743441 /nfs/dbraw/zinc/74/34/41/1081743441.db2.gz VVHPOBZWXDCNAW-UHFFFAOYSA-N 1 0 360.479 4.356 20 5 FIBDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420502 1081840276 /nfs/dbraw/zinc/84/02/76/1081840276.db2.gz ZXVAMPVKAJDUGW-HUUCEWRRSA-N 1 0 359.857 4.425 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@H](c1ccccc1)N(C)C ZINC000471602372 1082046724 /nfs/dbraw/zinc/04/67/24/1082046724.db2.gz NSCFLMZQGXWVDB-CBGDNZLLSA-N 1 0 355.482 4.197 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000156716098 1082239979 /nfs/dbraw/zinc/23/99/79/1082239979.db2.gz QLGQXYWTPXIJNE-HZPDHXFCSA-N 1 0 367.449 4.442 20 5 FIBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000477511457 1082898071 /nfs/dbraw/zinc/89/80/71/1082898071.db2.gz IDWBNFSSMVLKTM-UHFFFAOYSA-N 1 0 366.339 4.271 20 5 FIBDRO Cc1ccc2c(c1)nc(CNCc1ccc(C(C)C)c([N+](=O)[O-])c1)n2C ZINC000187586436 1083038334 /nfs/dbraw/zinc/03/83/34/1083038334.db2.gz CESDRKFQNLBQLY-UHFFFAOYSA-N 1 0 352.438 4.203 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)C1CC1 ZINC000430740405 1083143572 /nfs/dbraw/zinc/14/35/72/1083143572.db2.gz BPXBGQWCDWIGRH-HNNXBMFYSA-N 1 0 368.330 4.262 20 5 FIBDRO COc1cc(C[N@H+](C)CC(C)(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000510618930 1083205655 /nfs/dbraw/zinc/20/56/55/1083205655.db2.gz LRYNUMIFBKWQBK-UHFFFAOYSA-N 1 0 364.364 4.022 20 5 FIBDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581841 1083214235 /nfs/dbraw/zinc/21/42/35/1083214235.db2.gz RUNRXQKNFJYRLI-INIZCTEOSA-N 1 0 351.406 4.252 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)cccc1[N+](=O)[O-] ZINC000477857351 1083329737 /nfs/dbraw/zinc/32/97/37/1083329737.db2.gz RJKJUXZHVJAKNV-FIKGOQFSSA-N 1 0 356.466 4.184 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC=CC2)cc1 ZINC000610741165 1083402057 /nfs/dbraw/zinc/40/20/57/1083402057.db2.gz RSKODQYIOAYYIQ-UHFFFAOYSA-N 1 0 360.417 4.256 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000179392975 1083441385 /nfs/dbraw/zinc/44/13/85/1083441385.db2.gz ZGIBHBLJIZTBIY-LBPRGKRZSA-N 1 0 366.364 4.446 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000179765404 1083618716 /nfs/dbraw/zinc/61/87/16/1083618716.db2.gz ANGIRWAENDZGRZ-LBPRGKRZSA-N 1 0 373.840 4.448 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000179765420 1083618902 /nfs/dbraw/zinc/61/89/02/1083618902.db2.gz ANGIRWAENDZGRZ-GFCCVEGCSA-N 1 0 373.840 4.448 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH+]2CCC(CCO)CC2)ccc1Oc1ccc(F)cc1 ZINC000535781897 1083656693 /nfs/dbraw/zinc/65/66/93/1083656693.db2.gz BIBUIQOJJKJNOY-UHFFFAOYSA-N 1 0 374.412 4.121 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](Cc2nccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000610827836 1083744061 /nfs/dbraw/zinc/74/40/61/1083744061.db2.gz CSZYGYBBVZHJNN-VQIMIIECSA-N 1 0 364.449 4.271 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000610821898 1083748677 /nfs/dbraw/zinc/74/86/77/1083748677.db2.gz OIHIBYWYQXAXRP-OXQOHEQNSA-N 1 0 350.422 4.192 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](Cn2cccn2)c2ccccc2)cc1[N+](=O)[O-] ZINC000610821889 1083749713 /nfs/dbraw/zinc/74/97/13/1083749713.db2.gz MJWVHJUBGJYZDN-LPHOPBHVSA-N 1 0 350.422 4.192 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H](Cn2cccn2)c2ccccc2)cc1[N+](=O)[O-] ZINC000610821890 1083749792 /nfs/dbraw/zinc/74/97/92/1083749792.db2.gz MJWVHJUBGJYZDN-QFBILLFUSA-N 1 0 350.422 4.192 20 5 FIBDRO CC[C@@H](CSC)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000538124653 1083753692 /nfs/dbraw/zinc/75/36/92/1083753692.db2.gz HMHPHIXMFBLNJL-LBPRGKRZSA-N 1 0 350.440 4.095 20 5 FIBDRO Cc1noc(C[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277132267 1083773700 /nfs/dbraw/zinc/77/37/00/1083773700.db2.gz OQCCTHXXRSHEDV-RDTXWAMCSA-N 1 0 366.421 4.229 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCOC4(CCCC4)C3)o2)cc1 ZINC000136698667 1083892798 /nfs/dbraw/zinc/89/27/98/1083892798.db2.gz PXHSNCZVGBJNJO-INIZCTEOSA-N 1 0 356.422 4.436 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000612580072 1083925412 /nfs/dbraw/zinc/92/54/12/1083925412.db2.gz FTOJBVJNMRVELR-LJQANCHMSA-N 1 0 374.444 4.007 20 5 FIBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(Cl)c(Cl)c1 ZINC000472455325 1083969535 /nfs/dbraw/zinc/96/95/35/1083969535.db2.gz UEMDFTQKWPTCEH-UHFFFAOYSA-N 1 0 357.241 4.009 20 5 FIBDRO CCn1nc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000472046485 1084168905 /nfs/dbraw/zinc/16/89/05/1084168905.db2.gz DYQILSUVDPNMQJ-UHFFFAOYSA-N 1 0 352.438 4.077 20 5 FIBDRO Cc1cnc(CC[N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000180058261 1084208062 /nfs/dbraw/zinc/20/80/62/1084208062.db2.gz CJBOLRJBVMRFOQ-UHFFFAOYSA-N 1 0 357.435 4.294 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3sc(Br)cc32)cc1 ZINC000380866865 1084244646 /nfs/dbraw/zinc/24/46/46/1084244646.db2.gz MGCIVQWCRKDBAT-GFCCVEGCSA-N 1 0 353.241 4.196 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000157044915 1084304996 /nfs/dbraw/zinc/30/49/96/1084304996.db2.gz BNSNRDYPAITPDZ-IFXJQAMLSA-N 1 0 369.421 4.353 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)cc1[N+](=O)[O-] ZINC000539070227 1084307974 /nfs/dbraw/zinc/30/79/74/1084307974.db2.gz BOIGOCPLEYHMJI-GOSISDBHSA-N 1 0 368.433 4.096 20 5 FIBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000539085062 1084313044 /nfs/dbraw/zinc/31/30/44/1084313044.db2.gz VOCBUNLLBRTYRV-SGANQWHYSA-N 1 0 360.479 4.006 20 5 FIBDRO COc1cc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc(OC)c1OC ZINC000157440835 1084382770 /nfs/dbraw/zinc/38/27/70/1084382770.db2.gz XWKSCGZOAIRBEM-UONOGXRCSA-N 1 0 374.437 4.341 20 5 FIBDRO C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000158088586 1084384470 /nfs/dbraw/zinc/38/44/70/1084384470.db2.gz DFWJGULRFSTYIG-HUUCEWRRSA-N 1 0 359.495 4.316 20 5 FIBDRO CCOc1cc(C[N@H+](Cc2ccccc2)[C@@H](CO)C(C)C)ccc1[N+](=O)[O-] ZINC001167529945 1084464198 /nfs/dbraw/zinc/46/41/98/1084464198.db2.gz WXAVADAKFLVSTB-FQEVSTJZSA-N 1 0 372.465 4.013 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000119750214 1084525551 /nfs/dbraw/zinc/52/55/51/1084525551.db2.gz PQIIZFIMCFENSY-AWEZNQCLSA-N 1 0 365.389 4.291 20 5 FIBDRO C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071772 1084591109 /nfs/dbraw/zinc/59/11/09/1084591109.db2.gz HRUMIJPDCNFAGC-HNNXBMFYSA-N 1 0 351.406 4.485 20 5 FIBDRO C[NH+](C)Cc1cccc(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)c1 ZINC000563263559 1084696878 /nfs/dbraw/zinc/69/68/78/1084696878.db2.gz HASHQKGBPDBRKO-QGZVFWFLSA-N 1 0 367.371 4.050 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000178152529 1084744656 /nfs/dbraw/zinc/74/46/56/1084744656.db2.gz SVPWORJCYCEZOI-ZIAGYGMSSA-N 1 0 353.422 4.200 20 5 FIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000548710463 1084787712 /nfs/dbraw/zinc/78/77/12/1084787712.db2.gz PHDJONORWBAYBP-HXUWFJFHSA-N 1 0 351.381 4.051 20 5 FIBDRO CC[C@@H](Nc1ccccc1N1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000540744960 1084897737 /nfs/dbraw/zinc/89/77/37/1084897737.db2.gz ABIMOYPOTAQKSF-LJQANCHMSA-N 1 0 368.481 4.300 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+][C@H]1CCC[C@H]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000414291190 1084977008 /nfs/dbraw/zinc/97/70/08/1084977008.db2.gz AUVCRLRMSNTXAV-FGTMMUONSA-N 1 0 356.470 4.222 20 5 FIBDRO C[C@@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000290195752 1085008919 /nfs/dbraw/zinc/00/89/19/1085008919.db2.gz SQMNHSBUYYLSDJ-FOIQADDNSA-N 1 0 352.434 4.340 20 5 FIBDRO CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@H]1c1ccccc1 ZINC001167601537 1085422386 /nfs/dbraw/zinc/42/23/86/1085422386.db2.gz DHHDGDUOQIJPIH-CRAIPNDOSA-N 1 0 364.449 4.487 20 5 FIBDRO Cc1ccc(C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000611443192 1085431855 /nfs/dbraw/zinc/43/18/55/1085431855.db2.gz UEQXCBYCKLRQOE-UHFFFAOYSA-N 1 0 356.422 4.148 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178645379 1085553711 /nfs/dbraw/zinc/55/37/11/1085553711.db2.gz QBVDWKOFMTVAMY-KGLIPLIRSA-N 1 0 368.437 4.291 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178646037 1085556584 /nfs/dbraw/zinc/55/65/84/1085556584.db2.gz ZNPFXDCPVRYVRC-MRXNPFEDSA-N 1 0 354.454 4.221 20 5 FIBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000472252736 1085616986 /nfs/dbraw/zinc/61/69/86/1085616986.db2.gz WHYPTTKRFOHNKG-INIZCTEOSA-N 1 0 368.359 4.037 20 5 FIBDRO C[C@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000178660828 1085678935 /nfs/dbraw/zinc/67/89/35/1085678935.db2.gz FNTKYHPSMBHAAD-AWEZNQCLSA-N 1 0 350.422 4.060 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178660296 1085679750 /nfs/dbraw/zinc/67/97/50/1085679750.db2.gz YOQVOUMVZBELMR-CQSZACIVSA-N 1 0 356.422 4.401 20 5 FIBDRO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCCC3)cc2)c2ccncc21 ZINC000078435227 1085764731 /nfs/dbraw/zinc/76/47/31/1085764731.db2.gz DMPSGGGYNWUMOH-UHFFFAOYSA-N 1 0 362.433 4.351 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000178695840 1085864315 /nfs/dbraw/zinc/86/43/15/1085864315.db2.gz WAVUJXKSZQYDKW-GFCCVEGCSA-N 1 0 362.813 4.179 20 5 FIBDRO CC1(C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)COC1 ZINC000112711809 1085951152 /nfs/dbraw/zinc/95/11/52/1085951152.db2.gz HFVRPBCFWCPRPP-UHFFFAOYSA-N 1 0 362.813 4.167 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1OC(F)F ZINC000125614109 1085983514 /nfs/dbraw/zinc/98/35/14/1085983514.db2.gz AFUSYBAIOHKMPR-LBPRGKRZSA-N 1 0 366.364 4.364 20 5 FIBDRO Cc1c([C@H](C)[NH2+]Cc2ccnc(N3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000162426172 1086167472 /nfs/dbraw/zinc/16/74/72/1086167472.db2.gz SYIGDBQYLODMQL-INIZCTEOSA-N 1 0 354.454 4.139 20 5 FIBDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052212654 1086450530 /nfs/dbraw/zinc/45/05/30/1086450530.db2.gz CNDAKQILZNSJCK-IBGZPJMESA-N 1 0 354.406 4.107 20 5 FIBDRO COc1cc(C[N@@H+]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000511978603 1086520321 /nfs/dbraw/zinc/52/03/21/1086520321.db2.gz NVUWDKQFCHEXGO-HNNXBMFYSA-N 1 0 356.422 4.024 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000583291441 1086533266 /nfs/dbraw/zinc/53/32/66/1086533266.db2.gz OXWVDRFHXCZQRJ-UHFFFAOYSA-N 1 0 355.369 4.255 20 5 FIBDRO Cc1cc(N2CCCN3c4ccccc4C[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000583354177 1086602525 /nfs/dbraw/zinc/60/25/25/1086602525.db2.gz ATVJKBJRWBUQHX-SFHVURJKSA-N 1 0 374.444 4.093 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC3(CCOCC3)CC2)o1 ZINC000585767924 1086694420 /nfs/dbraw/zinc/69/44/20/1086694420.db2.gz HJAWCIWMTDKJRH-UHFFFAOYSA-N 1 0 356.422 4.247 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1noc2ccccc12 ZINC000583510510 1086756550 /nfs/dbraw/zinc/75/65/50/1086756550.db2.gz UGYASVCPNFMVCZ-YOEHRIQHSA-N 1 0 351.406 4.237 20 5 FIBDRO Cc1c(C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000512160744 1086853954 /nfs/dbraw/zinc/85/39/54/1086853954.db2.gz AZWBVEQAVNQYTB-INIZCTEOSA-N 1 0 369.248 4.423 20 5 FIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cc2ccccc2s1 ZINC000583792605 1086964470 /nfs/dbraw/zinc/96/44/70/1086964470.db2.gz IMMSXJRECXUMTC-ZDUSSCGKSA-N 1 0 369.446 4.316 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000584301684 1087254574 /nfs/dbraw/zinc/25/45/74/1087254574.db2.gz AQABGCBPYQIYJH-INIZCTEOSA-N 1 0 366.339 4.313 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000584314869 1087262207 /nfs/dbraw/zinc/26/22/07/1087262207.db2.gz AXONCUFVSZBWGB-LDQXTDLNSA-N 1 0 354.450 4.426 20 5 FIBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180442605 1087914619 /nfs/dbraw/zinc/91/46/19/1087914619.db2.gz MTUUZOPVLKJHKG-KKSFZXQISA-N 1 0 364.449 4.115 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000504899528 1087970405 /nfs/dbraw/zinc/97/04/05/1087970405.db2.gz IEWMDHKDNRORGS-ZSZQSSIHSA-N 1 0 364.486 4.485 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2F)cc1[N+](=O)[O-] ZINC000504899549 1087971911 /nfs/dbraw/zinc/97/19/11/1087971911.db2.gz IMLKTCHRBHMMSL-UONOGXRCSA-N 1 0 362.401 4.251 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000504921930 1087974536 /nfs/dbraw/zinc/97/45/36/1087974536.db2.gz WKQUSXYKJXEQBY-GDBMZVCRSA-N 1 0 360.479 4.392 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn2ccc(C)cc2n1 ZINC000504911517 1087979736 /nfs/dbraw/zinc/97/97/36/1087979736.db2.gz HPXQHRCIRUNXLF-HNNXBMFYSA-N 1 0 370.478 4.211 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn2ccc(C)cc2n1 ZINC000504911518 1087980448 /nfs/dbraw/zinc/98/04/48/1087980448.db2.gz HPXQHRCIRUNXLF-OAHLLOKOSA-N 1 0 370.478 4.211 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000504917431 1087984649 /nfs/dbraw/zinc/98/46/49/1087984649.db2.gz BSJTZWOTDQPCTQ-OAHLLOKOSA-N 1 0 370.478 4.211 20 5 FIBDRO CC(C)C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000180760339 1088060388 /nfs/dbraw/zinc/06/03/88/1088060388.db2.gz JTRCFGQLGMXDFE-LJQANCHMSA-N 1 0 356.422 4.338 20 5 FIBDRO CC(C)c1nnc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000513827120 1088425484 /nfs/dbraw/zinc/42/54/84/1088425484.db2.gz JJHFTUNCWDCLDW-DZGCQCFKSA-N 1 0 360.483 4.071 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cc1[N+](=O)[O-] ZINC000189273677 1088458050 /nfs/dbraw/zinc/45/80/50/1088458050.db2.gz BKSKUUBQTYSISO-OAHLLOKOSA-N 1 0 368.412 4.138 20 5 FIBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189496177 1088485666 /nfs/dbraw/zinc/48/56/66/1088485666.db2.gz XGIVWKKVJKMGCZ-IAGOWNOFSA-N 1 0 361.467 4.404 20 5 FIBDRO CC[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000311303264 1088547352 /nfs/dbraw/zinc/54/73/52/1088547352.db2.gz JZMJPUJJDLYXIY-WBVHZDCISA-N 1 0 363.458 4.035 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2(Sc3ccccc3)CC2)n1 ZINC000472630092 1088626841 /nfs/dbraw/zinc/62/68/41/1088626841.db2.gz WJPRVPVMDZOFDE-SJORKVTESA-N 1 0 372.494 4.190 20 5 FIBDRO CCOc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000178647004 1088658635 /nfs/dbraw/zinc/65/86/35/1088658635.db2.gz REVDNQHTZDWISB-LBPRGKRZSA-N 1 0 366.364 4.446 20 5 FIBDRO C[C@H](C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000514085435 1088728334 /nfs/dbraw/zinc/72/83/34/1088728334.db2.gz VZDXNLSUUBKWMZ-MRXNPFEDSA-N 1 0 364.449 4.231 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000414566740 1088834503 /nfs/dbraw/zinc/83/45/03/1088834503.db2.gz XHVQIDRUEOOYBR-VMLCMGRWSA-N 1 0 364.445 4.462 20 5 FIBDRO C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000311853297 1088883633 /nfs/dbraw/zinc/88/36/33/1088883633.db2.gz WHHCHDLKXLQKPI-LAUBAEHRSA-N 1 0 353.466 4.158 20 5 FIBDRO CCOC1(C)CC[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000430102114 1088992721 /nfs/dbraw/zinc/99/27/21/1088992721.db2.gz XOSNMJNNCJZHBO-UHFFFAOYSA-N 1 0 374.437 4.254 20 5 FIBDRO COc1ccc(C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C2CC2)cc1 ZINC000505526659 1089052816 /nfs/dbraw/zinc/05/28/16/1089052816.db2.gz ONSPCZULSRJRSJ-OAHLLOKOSA-N 1 0 370.449 4.413 20 5 FIBDRO CC1(C)C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c2cc(N)ccc2O1 ZINC000415022177 1089061495 /nfs/dbraw/zinc/06/14/95/1089061495.db2.gz BVDBTNKYJNQQDF-WVRJYTFGSA-N 1 0 353.422 4.082 20 5 FIBDRO CCc1ccc(C[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000505590899 1089217096 /nfs/dbraw/zinc/21/70/96/1089217096.db2.gz PQDIHAFNPOTCIZ-UHFFFAOYSA-N 1 0 364.449 4.190 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](Cc4ccccc4)C3)nc2c1 ZINC000435048631 1089236607 /nfs/dbraw/zinc/23/66/07/1089236607.db2.gz JHHFCSUDCPRAOQ-MRXNPFEDSA-N 1 0 351.406 4.191 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000122462611 1089431084 /nfs/dbraw/zinc/43/10/84/1089431084.db2.gz GVPRRAYPNVFVHV-OAHLLOKOSA-N 1 0 367.449 4.493 20 5 FIBDRO C[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000514972104 1089677624 /nfs/dbraw/zinc/67/76/24/1089677624.db2.gz GKIPKWOSDALJHB-INIZCTEOSA-N 1 0 360.385 4.137 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(c4ccccc4)CC3)o2)cc1 ZINC000514990306 1089696371 /nfs/dbraw/zinc/69/63/71/1089696371.db2.gz WWJDILXKVJZQPQ-UHFFFAOYSA-N 1 0 364.405 4.024 20 5 FIBDRO CC(C)c1ccc(C[NH2+]C[C@H](c2cccc(F)c2)N(C)C)cc1[N+](=O)[O-] ZINC000517524952 1089732660 /nfs/dbraw/zinc/73/26/60/1089732660.db2.gz CHTLARKIHYFDJE-HXUWFJFHSA-N 1 0 359.445 4.250 20 5 FIBDRO CCC[C@](C)(CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236794672 1089772150 /nfs/dbraw/zinc/77/21/50/1089772150.db2.gz FFTRZKPPRIFLLD-QGZVFWFLSA-N 1 0 352.818 4.149 20 5 FIBDRO Cn1cc(C(C)(C)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000545996010 1089786956 /nfs/dbraw/zinc/78/69/56/1089786956.db2.gz BYQZPEIXALOPPZ-UHFFFAOYSA-N 1 0 356.451 4.082 20 5 FIBDRO CC[NH+](CC)C[C@@H]1CCN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000515314004 1089964502 /nfs/dbraw/zinc/96/45/02/1089964502.db2.gz LAOZUICEVJBFFG-ZDUSSCGKSA-N 1 0 359.392 4.090 20 5 FIBDRO C[N@H+](CC1CC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000053183763 1090357739 /nfs/dbraw/zinc/35/77/39/1090357739.db2.gz ORNNZXMWLOBQPP-GOSISDBHSA-N 1 0 373.840 4.270 20 5 FIBDRO CC[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181593616 1090373743 /nfs/dbraw/zinc/37/37/43/1090373743.db2.gz ZMSHITSMWHHGKY-HRAATJIYSA-N 1 0 368.481 4.256 20 5 FIBDRO CCN(CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000110267008 1090383245 /nfs/dbraw/zinc/38/32/45/1090383245.db2.gz YBBUMHJIRJZELJ-AVRDEDQJSA-N 1 0 367.493 4.295 20 5 FIBDRO CCC[C@@H]([NH2+][C@H](CCO)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120271049 1090677173 /nfs/dbraw/zinc/67/71/73/1090677173.db2.gz VQYMNWFRXPQDOV-WOJBJXKFSA-N 1 0 358.438 4.158 20 5 FIBDRO Cc1noc(C2CCC([NH2+][C@@H]3CCCCc4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000417307721 1090800386 /nfs/dbraw/zinc/80/03/86/1090800386.db2.gz GKEYFSXQXSHTHT-LADRWXRNSA-N 1 0 370.453 4.370 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccc([S@@](C)=O)cc1 ZINC000417308597 1090801643 /nfs/dbraw/zinc/80/16/43/1090801643.db2.gz HTJAPJARMAYCLD-BOEYOXHFSA-N 1 0 372.490 4.451 20 5 FIBDRO Cc1ccc([C@@H]2CCCCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000500074789 1091023808 /nfs/dbraw/zinc/02/38/08/1091023808.db2.gz NCNQOOIWYDXSPI-SFHVURJKSA-N 1 0 371.437 4.442 20 5 FIBDRO C[C@@H](c1ccccc1)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000500092210 1091033673 /nfs/dbraw/zinc/03/36/73/1091033673.db2.gz VMBAOLGOJJIGAY-HNNXBMFYSA-N 1 0 353.422 4.149 20 5 FIBDRO O=C(CC[N@H+](Cc1ccoc1)C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000500129626 1091056115 /nfs/dbraw/zinc/05/61/15/1091056115.db2.gz OLBBNVMHVHSMAN-UHFFFAOYSA-N 1 0 371.437 4.351 20 5 FIBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000511759282 1091626461 /nfs/dbraw/zinc/62/64/61/1091626461.db2.gz TUVXCFMSSPSRMK-HHXXYDBFSA-N 1 0 372.852 4.253 20 5 FIBDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC000110903363 1091709868 /nfs/dbraw/zinc/70/98/68/1091709868.db2.gz GFIBTPGKLZMDRO-UHFFFAOYSA-N 1 0 368.412 4.189 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)o1 ZINC000500462601 1092103745 /nfs/dbraw/zinc/10/37/45/1092103745.db2.gz QSMYNLPCWZAWSK-RHSMWYFYSA-N 1 0 366.364 4.495 20 5 FIBDRO CN(C)C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCC1 ZINC000520954145 1092379333 /nfs/dbraw/zinc/37/93/33/1092379333.db2.gz BWVBOCOENOSCLV-UHFFFAOYSA-N 1 0 359.495 4.287 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442846943 1092792559 /nfs/dbraw/zinc/79/25/59/1092792559.db2.gz PHFLHZVGKNINOX-AWEZNQCLSA-N 1 0 355.825 4.029 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000521827296 1092931444 /nfs/dbraw/zinc/93/14/44/1092931444.db2.gz SRLZNAAWCHMGBU-HNAYVOBHSA-N 1 0 370.449 4.461 20 5 FIBDRO COc1ccc(C[NH2+]CCn2ccc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000512562105 1092931748 /nfs/dbraw/zinc/93/17/48/1092931748.db2.gz PMNOLEUESRJQGP-UHFFFAOYSA-N 1 0 359.813 4.001 20 5 FIBDRO CC[NH+](CC)Cc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000521848049 1092944207 /nfs/dbraw/zinc/94/42/07/1092944207.db2.gz IIWBVRQRLUSRQG-UHFFFAOYSA-N 1 0 352.394 4.154 20 5 FIBDRO CN1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000522013409 1093029391 /nfs/dbraw/zinc/02/93/91/1093029391.db2.gz GPWFEEFNVUBUOT-CFLQYTFWSA-N 1 0 371.506 4.316 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000433063615 1093173769 /nfs/dbraw/zinc/17/37/69/1093173769.db2.gz YJIMIRVRUPQJPS-GOSISDBHSA-N 1 0 367.449 4.111 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)c2ccccc2)c1 ZINC000433056561 1093174624 /nfs/dbraw/zinc/17/46/24/1093174624.db2.gz IEHGZYOXHFAPAS-FQEVSTJZSA-N 1 0 366.461 4.217 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000433090554 1093232919 /nfs/dbraw/zinc/23/29/19/1093232919.db2.gz IOZOESRRAKKGME-ROUUACIJSA-N 1 0 353.466 4.470 20 5 FIBDRO Cc1ccc(OC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1C ZINC000522269011 1093254649 /nfs/dbraw/zinc/25/46/49/1093254649.db2.gz NCHBHROZMQFALK-UHFFFAOYSA-N 1 0 354.450 4.298 20 5 FIBDRO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)on1 ZINC000509780193 1093281733 /nfs/dbraw/zinc/28/17/33/1093281733.db2.gz CJODGXVSAADYET-QGZVFWFLSA-N 1 0 353.378 4.488 20 5 FIBDRO C[C@@H]1C[C@@H](c2ccccc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000439316098 1093328979 /nfs/dbraw/zinc/32/89/79/1093328979.db2.gz JDLMFIYTPAWNAH-ZBFHGGJFSA-N 1 0 350.422 4.239 20 5 FIBDRO CC1(C)C[C@H]([NH2+]C[C@H](c2ccco2)N2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433146888 1093331598 /nfs/dbraw/zinc/33/15/98/1093331598.db2.gz MWMJFQIAQJFKGZ-RBUKOAKNSA-N 1 0 369.465 4.337 20 5 FIBDRO CC1(C)C[C@@H](NCc2cn3cc(Cl)ccc3n2)c2cc([N+](=O)[O-])ccc21 ZINC000433150540 1093332191 /nfs/dbraw/zinc/33/21/91/1093332191.db2.gz LUCUINMXAHDBKA-QGZVFWFLSA-N 1 0 370.840 4.408 20 5 FIBDRO C[NH+](C)[C@@H]1CCOc2c(NC/C=C\c3ccccc3[N+](=O)[O-])cccc21 ZINC000433190422 1093392757 /nfs/dbraw/zinc/39/27/57/1093392757.db2.gz PXDNLKUNAZYGPZ-MONCILHSSA-N 1 0 353.422 4.105 20 5 FIBDRO Cc1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000512874046 1093494393 /nfs/dbraw/zinc/49/43/93/1093494393.db2.gz JDMFUYPPMVCVPI-MRXNPFEDSA-N 1 0 369.248 4.423 20 5 FIBDRO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000512874032 1093494086 /nfs/dbraw/zinc/49/40/86/1093494086.db2.gz JACUBTCXWPFMDH-SFHVURJKSA-N 1 0 368.462 4.298 20 5 FIBDRO CC1(C)C[C@@H]([NH2+][C@@H](CCCO)c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433277856 1093519508 /nfs/dbraw/zinc/51/95/08/1093519508.db2.gz BJMQIHGSDPAPEY-VQTJNVASSA-N 1 0 354.450 4.421 20 5 FIBDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000512896021 1093526676 /nfs/dbraw/zinc/52/66/76/1093526676.db2.gz SPMXDPQYRLYFLV-GDBMZVCRSA-N 1 0 374.412 4.288 20 5 FIBDRO Cc1ccnc(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000522417560 1093548428 /nfs/dbraw/zinc/54/84/28/1093548428.db2.gz BFPZGCLRZPOPKH-HNNXBMFYSA-N 1 0 354.454 4.142 20 5 FIBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c2cc([N+](=O)[O-])ccc21 ZINC000433296070 1093562898 /nfs/dbraw/zinc/56/28/98/1093562898.db2.gz RCNGUPQTOITOJI-QYZOEREBSA-N 1 0 354.454 4.287 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2(c3ccccn3)CCC2)o1 ZINC000512977609 1093622273 /nfs/dbraw/zinc/62/22/73/1093622273.db2.gz OVRAKSIIEHDFPH-UHFFFAOYSA-N 1 0 363.417 4.461 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(C2CC2)cc1 ZINC000419344866 1093711773 /nfs/dbraw/zinc/71/17/73/1093711773.db2.gz SKRBNRLOIMGUSO-KGLIPLIRSA-N 1 0 353.422 4.150 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000397991350 1093799175 /nfs/dbraw/zinc/79/91/75/1093799175.db2.gz ASGUQIKSZWTBSC-BBTUJRGHSA-N 1 0 367.493 4.464 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000397991352 1093800020 /nfs/dbraw/zinc/80/00/20/1093800020.db2.gz ASGUQIKSZWTBSC-LVCYWYKZSA-N 1 0 367.493 4.464 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000067251629 1093807835 /nfs/dbraw/zinc/80/78/35/1093807835.db2.gz HPLKXCKENLCGJC-UHFFFAOYSA-N 1 0 360.841 4.086 20 5 FIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(O[C@H]2CCOC2)c1 ZINC000120587136 1093888844 /nfs/dbraw/zinc/88/88/44/1093888844.db2.gz ILRUVLUZGUHKLU-APWZRJJASA-N 1 0 370.449 4.230 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086234964 1093894380 /nfs/dbraw/zinc/89/43/80/1093894380.db2.gz PNYGBLRTTGCPRR-AWEZNQCLSA-N 1 0 357.410 4.050 20 5 FIBDRO Cc1cccc(C2=CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000500976220 1093900797 /nfs/dbraw/zinc/90/07/97/1093900797.db2.gz IVYCDUFDKQETLM-UHFFFAOYSA-N 1 0 365.433 4.021 20 5 FIBDRO C[C@H]([NH2+]CCCn1ccnc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151108142 1093904899 /nfs/dbraw/zinc/90/48/99/1093904899.db2.gz UPGXSLIXZIRKBV-AWEZNQCLSA-N 1 0 356.451 4.261 20 5 FIBDRO Cc1ccc(C[C@H](C)[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000151133722 1093916052 /nfs/dbraw/zinc/91/60/52/1093916052.db2.gz JLJILTPNABKQCR-HNNXBMFYSA-N 1 0 366.421 4.016 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513247153 1094033911 /nfs/dbraw/zinc/03/39/11/1094033911.db2.gz KLJNWGKVBREEKH-MGPUTAFESA-N 1 0 367.449 4.315 20 5 FIBDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000513256910 1094040168 /nfs/dbraw/zinc/04/01/68/1094040168.db2.gz OKOGUIDEMRCSBI-KSSFIOAISA-N 1 0 364.405 4.228 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CC(c4ccccc4Cl)C3)nc2c1 ZINC000513271042 1094042310 /nfs/dbraw/zinc/04/23/10/1094042310.db2.gz IYBYUVAOSGYIRK-UHFFFAOYSA-N 1 0 356.813 4.160 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCC(F)(F)C3)cs2)c1 ZINC000430022644 1094191683 /nfs/dbraw/zinc/19/16/83/1094191683.db2.gz VGTMCZCZHNKUNN-LLVKDONJSA-N 1 0 353.394 4.243 20 5 FIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(Br)cs1 ZINC000226395174 1094282749 /nfs/dbraw/zinc/28/27/49/1094282749.db2.gz UFTFINOMPBVZEN-JTQLQIEISA-N 1 0 355.257 4.312 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183156825 1094349339 /nfs/dbraw/zinc/34/93/39/1094349339.db2.gz VFHYPKIPMCCVIH-GFCCVEGCSA-N 1 0 368.359 4.208 20 5 FIBDRO CC(=O)c1ccc(NCc2cccc(C[NH+]3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000025502763 1094353570 /nfs/dbraw/zinc/35/35/70/1094353570.db2.gz XNUZDYNHHNMLHN-UHFFFAOYSA-N 1 0 353.422 4.005 20 5 FIBDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000509945393 1094715338 /nfs/dbraw/zinc/71/53/38/1094715338.db2.gz SIOHQAOJKGDKII-QGZVFWFLSA-N 1 0 368.462 4.224 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](O)CC34CCC4)s2)cc1 ZINC000421380271 1095579314 /nfs/dbraw/zinc/57/93/14/1095579314.db2.gz YBTKKNCLYMBJAC-MRXNPFEDSA-N 1 0 358.463 4.203 20 5 FIBDRO O=[N+]([O-])c1cc(CN2CC[C@]23CCOC3)ccc1Oc1ccccc1Cl ZINC000421393064 1095593717 /nfs/dbraw/zinc/59/37/17/1095593717.db2.gz DBCLEMPHZDXTCP-LJQANCHMSA-N 1 0 374.824 4.405 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3Cc4ccccc4C3)cs2)c1 ZINC000522716755 1095602372 /nfs/dbraw/zinc/60/23/72/1095602372.db2.gz RYTXWCLHWKUVAQ-UHFFFAOYSA-N 1 0 365.458 4.223 20 5 FIBDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000183577392 1095688637 /nfs/dbraw/zinc/68/86/37/1095688637.db2.gz JYBKZFZRPWQFLK-CQSZACIVSA-N 1 0 367.405 4.247 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3cccnc3CC2)cc(C(F)(F)F)c1 ZINC000421851057 1095954039 /nfs/dbraw/zinc/95/40/39/1095954039.db2.gz FQJNEMCESBSPRD-OAHLLOKOSA-N 1 0 365.355 4.046 20 5 FIBDRO CCc1ccc([C@H]([NH2+][C@H]2CCO[C@H](CC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000421850638 1095954634 /nfs/dbraw/zinc/95/46/34/1095954634.db2.gz DSLNOWCJRHEGPL-QKYXUNIQSA-N 1 0 358.438 4.387 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000503408845 1096388932 /nfs/dbraw/zinc/38/89/32/1096388932.db2.gz UVWUQNWMMSTZAB-BFUOFWGJSA-N 1 0 373.840 4.020 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503900143 1096580234 /nfs/dbraw/zinc/58/02/34/1096580234.db2.gz COIYNMOIFQESOO-DNNBLBMLSA-N 1 0 354.397 4.056 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503927306 1096590681 /nfs/dbraw/zinc/59/06/81/1096590681.db2.gz IPKNFJMOQADNQE-YRGRVCCFSA-N 1 0 360.426 4.215 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000423358970 1096655853 /nfs/dbraw/zinc/65/58/53/1096655853.db2.gz UPSCBQHOUQVKEQ-UGSOOPFHSA-N 1 0 355.438 4.304 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc3c2CCCN3)cc1[N+](=O)[O-] ZINC000423409483 1096675011 /nfs/dbraw/zinc/67/50/11/1096675011.db2.gz BSAYXOHLGXQJHO-CQSZACIVSA-N 1 0 355.438 4.202 20 5 FIBDRO CC[NH+](CC)[C@@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000504253388 1096725952 /nfs/dbraw/zinc/72/59/52/1096725952.db2.gz MIQHUVUEOHKHPV-QGZVFWFLSA-N 1 0 352.394 4.076 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000533400047 1099008945 /nfs/dbraw/zinc/00/89/45/1099008945.db2.gz CRYUEYVEJZMEJS-SFHVURJKSA-N 1 0 367.449 4.111 20 5 FIBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000533438753 1099042891 /nfs/dbraw/zinc/04/28/91/1099042891.db2.gz OYDKAOHLGOBCOR-DLBZAZTESA-N 1 0 367.449 4.028 20 5 FIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000533511770 1099117686 /nfs/dbraw/zinc/11/76/86/1099117686.db2.gz IGLFWSQGHOYVPZ-CPUCHLNUSA-N 1 0 351.878 4.085 20 5 FIBDRO C[C@@H]([NH2+]C(C)(C)CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccccc1 ZINC000516202046 1099264714 /nfs/dbraw/zinc/26/47/14/1099264714.db2.gz JPZLBDNPWBZLTJ-GFCCVEGCSA-N 1 0 371.466 4.141 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccncc1OC ZINC000437071907 1099590679 /nfs/dbraw/zinc/59/06/79/1099590679.db2.gz IZGUOVIVFRAJHZ-KBPBESRZSA-N 1 0 361.467 4.220 20 5 FIBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000547832053 1099595612 /nfs/dbraw/zinc/59/56/12/1099595612.db2.gz XICCBVKXABAKHK-WFASDCNBSA-N 1 0 353.850 4.135 20 5 FIBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000506100656 1100080778 /nfs/dbraw/zinc/08/07/78/1100080778.db2.gz FSPZKWKSNDJGMO-QGZVFWFLSA-N 1 0 354.406 4.012 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459509155 1100263004 /nfs/dbraw/zinc/26/30/04/1100263004.db2.gz BQZVLEQVSHYSKB-INIZCTEOSA-N 1 0 352.434 4.220 20 5 FIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425922449 1100263770 /nfs/dbraw/zinc/26/37/70/1100263770.db2.gz KEAUYHWPWXJEFN-ZDUSSCGKSA-N 1 0 371.412 4.118 20 5 FIBDRO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536806671 1100311533 /nfs/dbraw/zinc/31/15/33/1100311533.db2.gz QDJGKBWWAKWRLQ-ZIAGYGMSSA-N 1 0 356.451 4.259 20 5 FIBDRO CC[C@H]([NH2+]CCc1nc(-c2ccncc2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000536858907 1100374587 /nfs/dbraw/zinc/37/45/87/1100374587.db2.gz TUFMXUJZNCYGMP-KRWDZBQOSA-N 1 0 368.462 4.397 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459653836 1100396136 /nfs/dbraw/zinc/39/61/36/1100396136.db2.gz DMSAQAWKKGDCQQ-CJNGLKHVSA-N 1 0 372.387 4.337 20 5 FIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCCC[C@@H]1C ZINC000517535987 1100473514 /nfs/dbraw/zinc/47/35/14/1100473514.db2.gz SDRQPFVVYTVTAP-HOTGVXAUSA-N 1 0 357.454 4.207 20 5 FIBDRO COC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000506283468 1100774017 /nfs/dbraw/zinc/77/40/17/1100774017.db2.gz VSBIVXGBNFJXHL-UHFFFAOYSA-N 1 0 350.802 4.119 20 5 FIBDRO CC(C)[NH+]1CCC(N(C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000506379452 1100943792 /nfs/dbraw/zinc/94/37/92/1100943792.db2.gz IFJNSEPUKAUXER-UHFFFAOYSA-N 1 0 374.510 4.023 20 5 FIBDRO c1ccn2c(c1)nnc2CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000017318929 1101045752 /nfs/dbraw/zinc/04/57/52/1101045752.db2.gz MOMXTOVWWHKOQL-UHFFFAOYSA-N 1 0 352.441 4.368 20 5 FIBDRO C[N@H+](CCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CCCC1 ZINC000518275267 1101057804 /nfs/dbraw/zinc/05/78/04/1101057804.db2.gz BWUQWEJNHSOYQT-UHFFFAOYSA-N 1 0 359.495 4.287 20 5 FIBDRO COc1ccc(C[NH2+]CCOc2ccccc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000518285478 1101067985 /nfs/dbraw/zinc/06/79/85/1101067985.db2.gz NCSROIKNMVNSHR-UHFFFAOYSA-N 1 0 358.438 4.070 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000518300509 1101076578 /nfs/dbraw/zinc/07/65/78/1101076578.db2.gz FLEJHXBKMQISHG-UHFFFAOYSA-N 1 0 374.746 4.436 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459673166 1101313056 /nfs/dbraw/zinc/31/30/56/1101313056.db2.gz IYPHICAPMVVODH-MSOLQXFVSA-N 1 0 367.449 4.110 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1OCCc2sccc21 ZINC000426352536 1101340836 /nfs/dbraw/zinc/34/08/36/1101340836.db2.gz MIOPZQNSHSGEMB-WILYLXEWSA-N 1 0 358.463 4.326 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1cc2cccc(F)c2o1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000475705623 1101367164 /nfs/dbraw/zinc/36/71/64/1101367164.db2.gz LFUMVXXWMNGIOQ-RYUDHWBXSA-N 1 0 371.368 4.158 20 5 FIBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1c(F)cccc1F ZINC000537029383 1101406405 /nfs/dbraw/zinc/40/64/05/1101406405.db2.gz SOGYXBNOYMXFRS-GFCCVEGCSA-N 1 0 373.359 4.421 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)C(C)(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000537052681 1101429156 /nfs/dbraw/zinc/42/91/56/1101429156.db2.gz OQQTZPOBKVSGRH-HOTGVXAUSA-N 1 0 369.465 4.186 20 5 FIBDRO CC(C)CC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000537065876 1101434527 /nfs/dbraw/zinc/43/45/27/1101434527.db2.gz FRLWFLLSKYUPGR-OAHLLOKOSA-N 1 0 350.850 4.249 20 5 FIBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000537075012 1101439249 /nfs/dbraw/zinc/43/92/49/1101439249.db2.gz DGQMESZWEXTULV-MRXNPFEDSA-N 1 0 372.318 4.396 20 5 FIBDRO CCSc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000537102223 1101449521 /nfs/dbraw/zinc/44/95/21/1101449521.db2.gz STWPYSLWDJSMJI-CQSZACIVSA-N 1 0 373.478 4.386 20 5 FIBDRO Cc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000537175374 1101520052 /nfs/dbraw/zinc/52/00/52/1101520052.db2.gz GWSCSRYFSFHXLJ-SJORKVTESA-N 1 0 369.465 4.048 20 5 FIBDRO Cc1ccccc1OCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000518776584 1101539770 /nfs/dbraw/zinc/53/97/70/1101539770.db2.gz HDPWUKMAIODFSY-UHFFFAOYSA-N 1 0 366.364 4.063 20 5 FIBDRO C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000455850251 1101580892 /nfs/dbraw/zinc/58/08/92/1101580892.db2.gz KQAJSQKBNWSHFA-FZKQIMNGSA-N 1 0 368.437 4.026 20 5 FIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1N(C)C ZINC000518828603 1101615471 /nfs/dbraw/zinc/61/54/71/1101615471.db2.gz NDMSKZJDQMKYAQ-AWEZNQCLSA-N 1 0 352.438 4.035 20 5 FIBDRO C[C@@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCOC1 ZINC000537299536 1101622299 /nfs/dbraw/zinc/62/22/99/1101622299.db2.gz JDOGKIIUIAXTRX-KRWDZBQOSA-N 1 0 350.802 4.024 20 5 FIBDRO CC[NH+]1CCN(c2ccc(N[C@@H](C)c3ccc([N+](=O)[O-])cc3)c(C)c2)CC1 ZINC000537408133 1101754471 /nfs/dbraw/zinc/75/44/71/1101754471.db2.gz RPDFYQLHWCDGNF-KRWDZBQOSA-N 1 0 368.481 4.218 20 5 FIBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000445888264 1101778770 /nfs/dbraw/zinc/77/87/70/1101778770.db2.gz VYVOMQXQDFEMTR-AWEZNQCLSA-N 1 0 371.359 4.359 20 5 FIBDRO CC[NH+]1CCN(c2ccccc2N[C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000537445476 1101790540 /nfs/dbraw/zinc/79/05/40/1101790540.db2.gz QROXYQWNSMONRV-QGZVFWFLSA-N 1 0 368.481 4.218 20 5 FIBDRO CC(C)(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000054396864 1101869049 /nfs/dbraw/zinc/86/90/49/1101869049.db2.gz VLNOXWSPTQGAKX-IBGZPJMESA-N 1 0 356.422 4.338 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000026227586 1101945681 /nfs/dbraw/zinc/94/56/81/1101945681.db2.gz KBGKXRSNRPGSEV-ZDUSSCGKSA-N 1 0 361.829 4.236 20 5 FIBDRO Cc1nn(C)c(C)c1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237711952 1102121907 /nfs/dbraw/zinc/12/19/07/1102121907.db2.gz NKOGKLPGHGNSQS-UHFFFAOYSA-N 1 0 374.828 4.148 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC23CC(O)C3)ccc1Oc1ccccc1Cl ZINC000897853570 1102144322 /nfs/dbraw/zinc/14/43/22/1102144322.db2.gz VWCYTECYEUOYGJ-HRJVKACCSA-N 1 0 374.824 4.044 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnc(-c3ccncc3)s2)cc1[N+](=O)[O-] ZINC000440322761 1102206985 /nfs/dbraw/zinc/20/69/85/1102206985.db2.gz BSFLYUSDSWOTBG-CYBMUJFWSA-N 1 0 354.435 4.273 20 5 FIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2)C1 ZINC000121842518 1102254904 /nfs/dbraw/zinc/25/49/04/1102254904.db2.gz BCZVQQPPDCQMMP-CQSZACIVSA-N 1 0 371.412 4.218 20 5 FIBDRO C[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]2CCCC[C@@H]12 ZINC000532470959 1102389268 /nfs/dbraw/zinc/38/92/68/1102389268.db2.gz DAJAMLNMTFTHSG-COXVUDFISA-N 1 0 356.426 4.045 20 5 FIBDRO C[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]2CCCC[C@H]12 ZINC000532470967 1102389852 /nfs/dbraw/zinc/38/98/52/1102389852.db2.gz DAJAMLNMTFTHSG-KBRIMQKVSA-N 1 0 356.426 4.045 20 5 FIBDRO Cc1ccc([C@H]2CCCCCN2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000532570706 1102493403 /nfs/dbraw/zinc/49/34/03/1102493403.db2.gz CCKALSRZPAMOSJ-GOSISDBHSA-N 1 0 371.437 4.076 20 5 FIBDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000532586891 1102506258 /nfs/dbraw/zinc/50/62/58/1102506258.db2.gz YENBFVMFWNIRRQ-QGZVFWFLSA-N 1 0 366.421 4.098 20 5 FIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000550847329 1102543027 /nfs/dbraw/zinc/54/30/27/1102543027.db2.gz LHOSVLKNIQVIRW-YWZLYKJASA-N 1 0 367.449 4.095 20 5 FIBDRO c1ccc2c(c1)cc(-c1noc([C@@H]3C[NH2+]C[C@H]4CCO[C@H]43)n1)c1ccccc21 ZINC001211931969 1102761531 /nfs/dbraw/zinc/76/15/31/1102761531.db2.gz PGWGJSFURVBTTD-IPHXSNPTSA-N 1 0 371.440 4.135 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000550228278 1102792136 /nfs/dbraw/zinc/79/21/36/1102792136.db2.gz PZTOOMCGSUIYNI-UONOGXRCSA-N 1 0 354.385 4.331 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000551097099 1102914135 /nfs/dbraw/zinc/91/41/35/1102914135.db2.gz KQUZRGQLGZQUPV-KBPBESRZSA-N 1 0 373.419 4.217 20 5 FIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000507008466 1103031085 /nfs/dbraw/zinc/03/10/85/1103031085.db2.gz UCPXSOKTUMSEHW-DOTOQJQBSA-N 1 0 362.433 4.390 20 5 FIBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc21 ZINC000454316566 1103154747 /nfs/dbraw/zinc/15/47/47/1103154747.db2.gz ILOWFFUNZSATPS-QGZVFWFLSA-N 1 0 374.828 4.441 20 5 FIBDRO Cc1ccccc1[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000507166508 1103167077 /nfs/dbraw/zinc/16/70/77/1103167077.db2.gz WYROIMAINLSXIE-QGZVFWFLSA-N 1 0 367.449 4.030 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(Cn3cccn3)c1)CCC2 ZINC000192710300 1103173219 /nfs/dbraw/zinc/17/32/19/1103173219.db2.gz IPISBJGBVWPOGS-NRFANRHFSA-N 1 0 362.433 4.007 20 5 FIBDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000192706476 1103177115 /nfs/dbraw/zinc/17/71/15/1103177115.db2.gz CHUGDQNKGZBPRR-LJQANCHMSA-N 1 0 354.454 4.003 20 5 FIBDRO COc1ccc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000507198481 1103197706 /nfs/dbraw/zinc/19/77/06/1103197706.db2.gz XBNIMYOZQWHSPZ-UHFFFAOYSA-N 1 0 358.413 4.197 20 5 FIBDRO CCOC(=O)CC1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000507308629 1103284640 /nfs/dbraw/zinc/28/46/40/1103284640.db2.gz FEOGDHRLNSOAIX-UHFFFAOYSA-N 1 0 372.421 4.020 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3ccnc3)c(F)c1)CCC2 ZINC000192732227 1103323564 /nfs/dbraw/zinc/32/35/64/1103323564.db2.gz OHYQSSNPMFLNAH-IBGZPJMESA-N 1 0 366.396 4.087 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000551620302 1103444527 /nfs/dbraw/zinc/44/45/27/1103444527.db2.gz UWFJBPYIVLNDEK-SFQUDFHCSA-N 1 0 362.433 4.033 20 5 FIBDRO CSc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000507505721 1103449674 /nfs/dbraw/zinc/44/96/74/1103449674.db2.gz DNIXDLULFDQHCQ-ZIAGYGMSSA-N 1 0 373.478 4.303 20 5 FIBDRO C[C@H](CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000467410780 1103633520 /nfs/dbraw/zinc/63/35/20/1103633520.db2.gz KLYMJAJCWPLIPM-CVEARBPZSA-N 1 0 355.438 4.095 20 5 FIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@H](C)c1ccccc1 ZINC000467410783 1103636698 /nfs/dbraw/zinc/63/66/98/1103636698.db2.gz KLYMJAJCWPLIPM-JKSUJKDBSA-N 1 0 355.438 4.095 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000538178029 1104011581 /nfs/dbraw/zinc/01/15/81/1104011581.db2.gz NXERKOSOAGBPQL-INIZCTEOSA-N 1 0 354.328 4.257 20 5 FIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000538180183 1104012501 /nfs/dbraw/zinc/01/25/01/1104012501.db2.gz SALRVSBBEVUSGW-CQSZACIVSA-N 1 0 355.438 4.182 20 5 FIBDRO CCc1noc(C2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000184667818 1104943480 /nfs/dbraw/zinc/94/34/80/1104943480.db2.gz UXTCVLAUIAGTJD-UHFFFAOYSA-N 1 0 364.833 4.010 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@@H]3CC[C@H](O)C3)cc2[N+](=O)[O-])cc1 ZINC000473994681 1105000546 /nfs/dbraw/zinc/00/05/46/1105000546.db2.gz KHDAQUKUXPOIQV-WBVHZDCISA-N 1 0 372.490 4.305 20 5 FIBDRO C[C@]1(O)CCCC[C@H]1[C@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000450958330 1106844366 /nfs/dbraw/zinc/84/43/66/1106844366.db2.gz MVSKJDFDIGYJGA-QGTPRVQTSA-N 1 0 352.862 4.154 20 5 FIBDRO Cc1c([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cccc1[N+](=O)[O-] ZINC000530366041 1106987083 /nfs/dbraw/zinc/98/70/83/1106987083.db2.gz WECQDPXKCUFYLJ-LZWOXQAQSA-N 1 0 370.453 4.085 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)c([N+](=O)[O-])cc1F ZINC000451299109 1107014398 /nfs/dbraw/zinc/01/43/98/1107014398.db2.gz REOGPLPOMZKBDL-GWCFXTLKSA-N 1 0 364.339 4.343 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000544384015 1107273647 /nfs/dbraw/zinc/27/36/47/1107273647.db2.gz XLBWNHHVTKXMAR-NSHDSACASA-N 1 0 368.355 4.304 20 5 FIBDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000530723090 1107287533 /nfs/dbraw/zinc/28/75/33/1107287533.db2.gz QURGZQNVSIUGKT-IBGZPJMESA-N 1 0 362.401 4.167 20 5 FIBDRO CCC[C@](C)(CO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000530723091 1107288612 /nfs/dbraw/zinc/28/86/12/1107288612.db2.gz QURGZQNVSIUGKT-LJQANCHMSA-N 1 0 362.401 4.167 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451856728 1107345774 /nfs/dbraw/zinc/34/57/74/1107345774.db2.gz PVRAGHJMBZJKIY-IBGZPJMESA-N 1 0 369.421 4.052 20 5 FIBDRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC001168133630 1107395903 /nfs/dbraw/zinc/39/59/03/1107395903.db2.gz DBUSBYYIARFVRI-GOSISDBHSA-N 1 0 355.394 4.457 20 5 FIBDRO CCC[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000186489660 1107497633 /nfs/dbraw/zinc/49/76/33/1107497633.db2.gz QZAFPICLGGNKLW-SFHVURJKSA-N 1 0 352.438 4.155 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)CC3CCC3)o2)c(Cl)c1 ZINC000475491548 1107518227 /nfs/dbraw/zinc/51/82/27/1107518227.db2.gz IOAGPYYRWNEFQT-ZDUSSCGKSA-N 1 0 364.829 4.149 20 5 FIBDRO CCN(CC)C(=O)c1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000127399797 1107875002 /nfs/dbraw/zinc/87/50/02/1107875002.db2.gz MJUBYOBQNYPFTP-MRXNPFEDSA-N 1 0 369.465 4.236 20 5 FIBDRO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@H]1c1ccccc1 ZINC000444651929 1108048532 /nfs/dbraw/zinc/04/85/32/1108048532.db2.gz QKKTYNAHAGSCQD-WMLDXEAASA-N 1 0 350.422 4.097 20 5 FIBDRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000531677576 1108064995 /nfs/dbraw/zinc/06/49/95/1108064995.db2.gz IIVKAYGCMGUWIG-OXJNMPFZSA-N 1 0 369.465 4.091 20 5 FIBDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000453231785 1108308263 /nfs/dbraw/zinc/30/82/63/1108308263.db2.gz UFCLNNNOOMTRJJ-PNHOKKKMSA-N 1 0 368.433 4.427 20 5 FIBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000453363765 1108478617 /nfs/dbraw/zinc/47/86/17/1108478617.db2.gz RIDIZQBBQYYQBU-UIAACRFSSA-N 1 0 367.449 4.222 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCc2ccc(C)cn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453406410 1108505894 /nfs/dbraw/zinc/50/58/94/1108505894.db2.gz CVMXLKBVQPTICI-OAQYLSRUSA-N 1 0 365.433 4.375 20 5 FIBDRO Cc1ccc(C[N@H+](CCO)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)o1 ZINC000475624270 1108575435 /nfs/dbraw/zinc/57/54/35/1108575435.db2.gz JAEPTVRCQXRGLT-UHFFFAOYSA-N 1 0 372.446 4.219 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000453569480 1108603484 /nfs/dbraw/zinc/60/34/84/1108603484.db2.gz ALBQAXYLMHMLRM-YVMONPNESA-N 1 0 364.445 4.172 20 5 FIBDRO C[NH+](C)CC[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)C ZINC000523864072 1108615000 /nfs/dbraw/zinc/61/50/00/1108615000.db2.gz GIRXDCADCJFQIX-IBGZPJMESA-N 1 0 359.470 4.311 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000532166420 1108691601 /nfs/dbraw/zinc/69/16/01/1108691601.db2.gz ZZZWKIUFVAXFGC-OAHLLOKOSA-N 1 0 351.516 4.133 20 5 FIBDRO COc1cccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H]2CCCO2)c1 ZINC000520392055 1108693709 /nfs/dbraw/zinc/69/37/09/1108693709.db2.gz IFXDAHOUVSDSKO-FQEVSTJZSA-N 1 0 370.449 4.093 20 5 FIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000532201055 1108706401 /nfs/dbraw/zinc/70/64/01/1108706401.db2.gz CLFLFNGKVNWPKL-KZULUSFZSA-N 1 0 359.451 4.114 20 5 FIBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000532369507 1108812868 /nfs/dbraw/zinc/81/28/68/1108812868.db2.gz OELGIGNJFFZNFA-KRWDZBQOSA-N 1 0 362.861 4.393 20 5 FIBDRO COc1cc(C[NH2+]CCCc2ccc(C(C)C)cc2)c([N+](=O)[O-])cc1O ZINC000524197132 1108909702 /nfs/dbraw/zinc/90/97/02/1108909702.db2.gz CFPOEBLZCWWYRP-UHFFFAOYSA-N 1 0 358.438 4.155 20 5 FIBDRO COc1ccccc1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000524425730 1109015060 /nfs/dbraw/zinc/01/50/60/1109015060.db2.gz GSBKRFBDHCYOFF-UHFFFAOYSA-N 1 0 354.450 4.101 20 5 FIBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNc3ncc([N+](=O)[O-])cc3Cl)cc2)C1 ZINC000524581016 1109085029 /nfs/dbraw/zinc/08/50/29/1109085029.db2.gz BMANDMXKADKYBP-AWEZNQCLSA-N 1 0 374.872 4.487 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+][C@@H](C)[C@H](C)CO)cc2[N+](=O)[O-])cc1 ZINC000525406071 1109374408 /nfs/dbraw/zinc/37/44/08/1109374408.db2.gz SMPZNCZRSORXEV-CABCVRRESA-N 1 0 360.479 4.161 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(Oc2ccncc2C)CC1 ZINC000447058391 1109425852 /nfs/dbraw/zinc/42/58/52/1109425852.db2.gz HPTBCSUZFIFJTA-VBKFSLOCSA-N 1 0 367.449 4.245 20 5 FIBDRO C[C@@H](O)C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441234958 1109504493 /nfs/dbraw/zinc/50/44/93/1109504493.db2.gz RMEHUYASLXRPKS-QWHCGFSZSA-N 1 0 368.886 4.124 20 5 FIBDRO C[C@H](OCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447517877 1109558926 /nfs/dbraw/zinc/55/89/26/1109558926.db2.gz UWVUXOSUCJMANC-WDSOQIARSA-N 1 0 372.469 4.033 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(C(F)(F)F)cc2)n1 ZINC000447532504 1109569619 /nfs/dbraw/zinc/56/96/19/1109569619.db2.gz UGWDXEOBFVOOTP-LSDHHAIUSA-N 1 0 368.359 4.084 20 5 FIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCCC[C@H]1O ZINC000428489416 1109579954 /nfs/dbraw/zinc/57/99/54/1109579954.db2.gz VMJFHVFRIHKKQW-IAGOWNOFSA-N 1 0 364.829 4.244 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000447587771 1109587459 /nfs/dbraw/zinc/58/74/59/1109587459.db2.gz RJNCYJCGMLNXDM-CBBWQLFWSA-N 1 0 374.407 4.233 20 5 FIBDRO CN1CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000447589116 1109588840 /nfs/dbraw/zinc/58/88/40/1109588840.db2.gz WXTHTDIZDRTGLH-PCCBWWKXSA-N 1 0 351.450 4.007 20 5 FIBDRO Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447597856 1109591962 /nfs/dbraw/zinc/59/19/62/1109591962.db2.gz GEIADCBCVNLMFG-QZTJIDSGSA-N 1 0 368.437 4.162 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2csc(N3CCC[C@@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000448963795 1109945297 /nfs/dbraw/zinc/94/52/97/1109945297.db2.gz XQRVVPXFJLDXJU-MRXNPFEDSA-N 1 0 372.494 4.173 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000449099783 1109975864 /nfs/dbraw/zinc/97/58/64/1109975864.db2.gz UXHCIMBEGUQXLT-OZOXKJRCSA-N 1 0 354.450 4.283 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000449090240 1109978454 /nfs/dbraw/zinc/97/84/54/1109978454.db2.gz GBIUYBXUQKEYSO-INIZCTEOSA-N 1 0 372.440 4.003 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000449165551 1109990381 /nfs/dbraw/zinc/99/03/81/1109990381.db2.gz ABOFECVEBYVKKD-CVEARBPZSA-N 1 0 350.422 4.062 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000449202968 1109998377 /nfs/dbraw/zinc/99/83/77/1109998377.db2.gz JOJAFJIYOGCRKO-OMWUSAIZSA-N 1 0 360.841 4.299 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000449215188 1109998845 /nfs/dbraw/zinc/99/88/45/1109998845.db2.gz MXDLFOCRJXKEKP-UWVAXJGDSA-N 1 0 354.450 4.283 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000449215186 1109998938 /nfs/dbraw/zinc/99/89/38/1109998938.db2.gz MXDLFOCRJXKEKP-HLIPFELVSA-N 1 0 354.450 4.283 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000449240576 1110009616 /nfs/dbraw/zinc/00/96/16/1110009616.db2.gz ZOLSHAIHSNYSMZ-LXGCGDOSSA-N 1 0 358.413 4.175 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000449293418 1110025504 /nfs/dbraw/zinc/02/55/04/1110025504.db2.gz VKKCPWZZYYFRJK-NXEZZACHSA-N 1 0 359.373 4.352 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000449293573 1110025938 /nfs/dbraw/zinc/02/59/38/1110025938.db2.gz VVTUAIJOJOGDSH-MSOLQXFVSA-N 1 0 353.466 4.032 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000449367962 1110045144 /nfs/dbraw/zinc/04/51/44/1110045144.db2.gz ALIUYSPSIWMJSN-UHFFFAOYSA-N 1 0 352.312 4.272 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCC3CCOCC3)cs2)c1 ZINC000449354593 1110047823 /nfs/dbraw/zinc/04/78/23/1110047823.db2.gz PIVODRWMRBRVON-UHFFFAOYSA-N 1 0 361.467 4.015 20 5 FIBDRO CC(C)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccn1 ZINC000449398257 1110051014 /nfs/dbraw/zinc/05/10/14/1110051014.db2.gz UEBQDKKICDVNML-UHFFFAOYSA-N 1 0 351.406 4.317 20 5 FIBDRO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000449391579 1110055118 /nfs/dbraw/zinc/05/51/18/1110055118.db2.gz FRIUZVWPFSWCFF-SJLPKXTDSA-N 1 0 353.466 4.268 20 5 FIBDRO C[C@H](CCCCO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000449428958 1110067002 /nfs/dbraw/zinc/06/70/02/1110067002.db2.gz SBQNVTGEUZUEMX-MRXNPFEDSA-N 1 0 357.454 4.003 20 5 FIBDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000449447873 1110072250 /nfs/dbraw/zinc/07/22/50/1110072250.db2.gz CITJNJIVZBPPQT-NSHDSACASA-N 1 0 352.818 4.147 20 5 FIBDRO Cc1cccnc1CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449483565 1110088978 /nfs/dbraw/zinc/08/89/78/1110088978.db2.gz JNKQPUZBJZBOMP-UHFFFAOYSA-N 1 0 368.462 4.144 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCCC3(F)F)cs2)c1 ZINC000449491326 1110092008 /nfs/dbraw/zinc/09/20/08/1110092008.db2.gz GJUSBUHYKSCVDG-LBPRGKRZSA-N 1 0 353.394 4.243 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000449538611 1110104130 /nfs/dbraw/zinc/10/41/30/1110104130.db2.gz UTIOMOKKYLVRIO-YLJYHZDGSA-N 1 0 355.438 4.123 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C2(c3ccc(OC)cc3)CC2)cc1[N+](=O)[O-] ZINC000538524251 1111171268 /nfs/dbraw/zinc/17/12/68/1111171268.db2.gz JWQCDLDFCSESCF-AWEZNQCLSA-N 1 0 356.422 4.342 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C2(c3ccc(OC)cc3)CC2)cc1[N+](=O)[O-] ZINC000538524252 1111171466 /nfs/dbraw/zinc/17/14/66/1111171466.db2.gz JWQCDLDFCSESCF-CQSZACIVSA-N 1 0 356.422 4.342 20 5 FIBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000538727237 1111265062 /nfs/dbraw/zinc/26/50/62/1111265062.db2.gz BOIOMEAJFAEFDL-WMLDXEAASA-N 1 0 374.412 4.262 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538730442 1111267244 /nfs/dbraw/zinc/26/72/44/1111267244.db2.gz LGHIFMZEQSASAG-HNNXBMFYSA-N 1 0 356.422 4.167 20 5 FIBDRO C[C@@H]1CC[N@H+](C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000538739505 1111272765 /nfs/dbraw/zinc/27/27/65/1111272765.db2.gz QQJIBJCHWANVTE-CYBMUJFWSA-N 1 0 363.845 4.034 20 5 FIBDRO CCOC[C@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000538761535 1111289268 /nfs/dbraw/zinc/28/92/68/1111289268.db2.gz JWAWCIFNMPXZCP-SFHVURJKSA-N 1 0 369.465 4.221 20 5 FIBDRO CS[C@@H]1CCCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000538799859 1111297144 /nfs/dbraw/zinc/29/71/44/1111297144.db2.gz ZLHULVVTEUPUCT-MRXNPFEDSA-N 1 0 363.508 4.436 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000539053656 1111401585 /nfs/dbraw/zinc/40/15/85/1111401585.db2.gz SYBLAOSNFHAINM-QQFBHYJXSA-N 1 0 362.470 4.454 20 5 FIBDRO COc1ccccc1OC[C@H](C)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539061157 1111407304 /nfs/dbraw/zinc/40/73/04/1111407304.db2.gz WNHUJRDQGAGDJF-GDBMZVCRSA-N 1 0 358.438 4.278 20 5 FIBDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000539063271 1111408934 /nfs/dbraw/zinc/40/89/34/1111408934.db2.gz YKORAZXKQSIDKQ-BXTJHSDWSA-N 1 0 358.438 4.339 20 5 FIBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1 ZINC000539069180 1111417568 /nfs/dbraw/zinc/41/75/68/1111417568.db2.gz QZNAXIRPFOYZNR-AWEZNQCLSA-N 1 0 369.446 4.448 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000539081332 1111424758 /nfs/dbraw/zinc/42/47/58/1111424758.db2.gz ZMTOGLYLVATIOU-ZDUSSCGKSA-N 1 0 350.365 4.398 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](c1ccccc1C)C(C)C ZINC000539259902 1111498066 /nfs/dbraw/zinc/49/80/66/1111498066.db2.gz DFOOWZFYXRDYNZ-FQEVSTJZSA-N 1 0 355.438 4.137 20 5 FIBDRO CC[C@H]([NH2+]C[C@](C)(Cc1ccccc1)[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000477853715 1111586488 /nfs/dbraw/zinc/58/64/88/1111586488.db2.gz MRWZABRICCNGGT-CZAAIQMYSA-N 1 0 356.466 4.265 20 5 FIBDRO COc1ccc2oc(C[NH2+]CCc3ccc(Cl)cc3[N+](=O)[O-])cc2c1 ZINC000478282261 1111740234 /nfs/dbraw/zinc/74/02/34/1111740234.db2.gz ZCPBALRMFCLLHA-UHFFFAOYSA-N 1 0 360.797 4.335 20 5 FIBDRO CC(=O)c1cc(NCc2ccccc2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000552903890 1111849463 /nfs/dbraw/zinc/84/94/63/1111849463.db2.gz GMYDEQUWQIAJLT-UHFFFAOYSA-N 1 0 367.449 4.395 20 5 FIBDRO COc1cc2c(cc1OC)[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000479415481 1112020047 /nfs/dbraw/zinc/02/00/47/1112020047.db2.gz YJIPDRIMPYEXKF-IBGZPJMESA-N 1 0 370.449 4.212 20 5 FIBDRO CCC(=O)c1ccc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000479860806 1112165623 /nfs/dbraw/zinc/16/56/23/1112165623.db2.gz GPUVFKLTQJFGPP-KRWDZBQOSA-N 1 0 373.478 4.498 20 5 FIBDRO COc1cc([C@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(F)cn1 ZINC000554094678 1112191455 /nfs/dbraw/zinc/19/14/55/1112191455.db2.gz JMBKUUITQKOXPY-VIFPVBQESA-N 1 0 373.306 4.007 20 5 FIBDRO CCC(=O)c1ccc(NC[C@@H](c2ccco2)[NH+](CC)CC)c([N+](=O)[O-])c1 ZINC000479965501 1112216828 /nfs/dbraw/zinc/21/68/28/1112216828.db2.gz WVIROHFMDKCHRX-KRWDZBQOSA-N 1 0 359.426 4.276 20 5 FIBDRO Cc1ccc([C@H](C)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000480282585 1112372865 /nfs/dbraw/zinc/37/28/65/1112372865.db2.gz XLMXYIKAELHJDX-FXAWDEMLSA-N 1 0 353.466 4.391 20 5 FIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000480410275 1112416764 /nfs/dbraw/zinc/41/67/64/1112416764.db2.gz ZPRAFICGMAHQLM-WBVHZDCISA-N 1 0 362.433 4.390 20 5 FIBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1 ZINC000480533739 1112464698 /nfs/dbraw/zinc/46/46/98/1112464698.db2.gz VYAXOKLSLIEDFI-UHFFFAOYSA-N 1 0 371.437 4.006 20 5 FIBDRO COc1cc(OC)cc(C2(F)CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000555125409 1112689124 /nfs/dbraw/zinc/68/91/24/1112689124.db2.gz IBNNXJMBWFNECW-UHFFFAOYSA-N 1 0 374.412 4.073 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000481257030 1112828275 /nfs/dbraw/zinc/82/82/75/1112828275.db2.gz MXAWYDRKTLWXCZ-SFHVURJKSA-N 1 0 367.449 4.363 20 5 FIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1COc2ccccc21 ZINC000555423885 1112829182 /nfs/dbraw/zinc/82/91/82/1112829182.db2.gz YLLRNHUAWAXKEY-XHDPSFHLSA-N 1 0 366.339 4.268 20 5 FIBDRO CSCc1cnc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000555552825 1112921460 /nfs/dbraw/zinc/92/14/60/1112921460.db2.gz URWHPMNWYPNJGB-UHFFFAOYSA-N 1 0 351.497 4.027 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(C)(C)O ZINC000555626462 1112948409 /nfs/dbraw/zinc/94/84/09/1112948409.db2.gz XGIOUARVNOXITH-MRXNPFEDSA-N 1 0 352.818 4.147 20 5 FIBDRO COc1cc(C[NH2+]CC[C@H](C)F)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000555616077 1112949319 /nfs/dbraw/zinc/94/93/19/1112949319.db2.gz MIBKAKYRCMUXSC-AWEZNQCLSA-N 1 0 362.401 4.020 20 5 FIBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@@H]1CCCO1 ZINC000482302982 1113220752 /nfs/dbraw/zinc/22/07/52/1113220752.db2.gz ZVWNXQAYQIPUKC-ZDUSSCGKSA-N 1 0 350.802 4.119 20 5 FIBDRO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482324054 1113223458 /nfs/dbraw/zinc/22/34/58/1113223458.db2.gz AILMTARFMQMNDD-ZIAGYGMSSA-N 1 0 357.479 4.211 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482324048 1113223533 /nfs/dbraw/zinc/22/35/33/1113223533.db2.gz AILMTARFMQMNDD-KBPBESRZSA-N 1 0 357.479 4.211 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)cc1[N+](=O)[O-] ZINC000486434297 1113567692 /nfs/dbraw/zinc/56/76/92/1113567692.db2.gz NNJYRYWBECAZDE-OAHLLOKOSA-N 1 0 365.433 4.040 20 5 FIBDRO CN(Cc1cncc(OCc2ccccc2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000486737183 1113631089 /nfs/dbraw/zinc/63/10/89/1113631089.db2.gz NHHHSIMAIFVZOL-UHFFFAOYSA-N 1 0 363.417 4.201 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000488044515 1113846190 /nfs/dbraw/zinc/84/61/90/1113846190.db2.gz PWQVIAGKIKJFPO-HZPDHXFCSA-N 1 0 353.422 4.007 20 5 FIBDRO C[NH+](C)Cc1ccccc1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000488340638 1113911415 /nfs/dbraw/zinc/91/14/15/1113911415.db2.gz SMHCNZOAHNCPPP-UHFFFAOYSA-N 1 0 355.438 4.206 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2CC2CCCCC2)c2c(c1)COCO2 ZINC000488406037 1113920563 /nfs/dbraw/zinc/92/05/63/1113920563.db2.gz WKJRESVPVXXGKR-SFHVURJKSA-N 1 0 360.454 4.396 20 5 FIBDRO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000488465574 1113937416 /nfs/dbraw/zinc/93/74/16/1113937416.db2.gz OQCXOGPXHMWQOL-LJIGWXMPSA-N 1 0 371.485 4.288 20 5 FIBDRO Cc1ccc2ccccc2c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488723232 1113982700 /nfs/dbraw/zinc/98/27/00/1113982700.db2.gz QHOKKHSKIPWCGE-UHFFFAOYSA-N 1 0 350.422 4.090 20 5 FIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(N3CCCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000151047267 1114281368 /nfs/dbraw/zinc/28/13/68/1114281368.db2.gz TWPQQTLFPVBNBH-INIZCTEOSA-N 1 0 367.449 4.271 20 5 FIBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](Oc3ccccc3Cl)C2)c(F)c1 ZINC000490406411 1114288832 /nfs/dbraw/zinc/28/88/32/1114288832.db2.gz ZMKNYCNJAVLBKY-AWEZNQCLSA-N 1 0 350.777 4.041 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CCC(OC4CCCC4)CC3)c2c1 ZINC000570897667 1114382765 /nfs/dbraw/zinc/38/27/65/1114382765.db2.gz PYZMIVZZQVHULZ-UHFFFAOYSA-N 1 0 371.481 4.479 20 5 FIBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@H](c3nc4ccccc4o3)C2)c(F)c1 ZINC000586766784 1114389240 /nfs/dbraw/zinc/38/92/40/1114389240.db2.gz CVWJHQMHPCUWIA-LBPRGKRZSA-N 1 0 373.359 4.394 20 5 FIBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000586790903 1114394616 /nfs/dbraw/zinc/39/46/16/1114394616.db2.gz DJGYDXPFRJUJRD-ZDUSSCGKSA-N 1 0 355.394 4.115 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000760650230 1114402434 /nfs/dbraw/zinc/40/24/34/1114402434.db2.gz ZLZAPDJNBXMTJT-VURMDHGXSA-N 1 0 352.434 4.028 20 5 FIBDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000056042633 1114582214 /nfs/dbraw/zinc/58/22/14/1114582214.db2.gz CGXFGDGEGFMBIE-UHFFFAOYSA-N 1 0 371.412 4.015 20 5 FIBDRO CC[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000164797905 1114585351 /nfs/dbraw/zinc/58/53/51/1114585351.db2.gz ZLRZNQKDKJPUFP-QGZVFWFLSA-N 1 0 373.478 4.303 20 5 FIBDRO CCN(Cc1csc([N+](=O)[O-])c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000249702767 1114590131 /nfs/dbraw/zinc/59/01/31/1114590131.db2.gz DUOCUOHNQXIJPK-QAPCUYQASA-N 1 0 359.495 4.314 20 5 FIBDRO CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000056157029 1114615894 /nfs/dbraw/zinc/61/58/94/1114615894.db2.gz DTYSBUCJYRWLQL-LSDHHAIUSA-N 1 0 371.437 4.060 20 5 FIBDRO CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000056196493 1114658331 /nfs/dbraw/zinc/65/83/31/1114658331.db2.gz HGBCLLSSYJVBIM-JYJNAYRXSA-N 1 0 369.465 4.074 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cccc(-c4ccccn4)c3)c2c1 ZINC000588933850 1114677430 /nfs/dbraw/zinc/67/74/30/1114677430.db2.gz DYGKIGRENYPXQZ-UHFFFAOYSA-N 1 0 372.428 4.470 20 5 FIBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1C[C@H](c3ccccc3Cl)C1)OCCO2 ZINC000590196050 1114906235 /nfs/dbraw/zinc/90/62/35/1114906235.db2.gz MCTVEPHOKQIJBT-MQMHXKEQSA-N 1 0 374.824 4.055 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000590170154 1114907279 /nfs/dbraw/zinc/90/72/79/1114907279.db2.gz AZPZYVKIFGTACT-UONOGXRCSA-N 1 0 372.387 4.252 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000590170151 1114907373 /nfs/dbraw/zinc/90/73/73/1114907373.db2.gz AZPZYVKIFGTACT-KBPBESRZSA-N 1 0 372.387 4.252 20 5 FIBDRO Cc1ccncc1CCC[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000573366215 1115094171 /nfs/dbraw/zinc/09/41/71/1115094171.db2.gz IRACWMUYTIPDBT-UHFFFAOYSA-N 1 0 353.344 4.039 20 5 FIBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Br)cn1 ZINC000573386028 1115104028 /nfs/dbraw/zinc/10/40/28/1115104028.db2.gz QIDRAAJONXJIBL-BMIGLBTASA-N 1 0 362.227 4.090 20 5 FIBDRO [NH3+]Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 ZINC000591683975 1115122371 /nfs/dbraw/zinc/12/23/71/1115122371.db2.gz GJPHOOBAGXPMES-UHFFFAOYSA-N 1 0 371.462 4.341 20 5 FIBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCC([NH+]2CCCCC2)CC1 ZINC000058263494 1115171910 /nfs/dbraw/zinc/17/19/10/1115171910.db2.gz RIENRGDXHAPHAU-UHFFFAOYSA-N 1 0 373.500 4.479 20 5 FIBDRO CC(C)CC1CC[NH+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000760921768 1115200175 /nfs/dbraw/zinc/20/01/75/1115200175.db2.gz SFUSEURSNBIVCI-AWEZNQCLSA-N 1 0 358.442 4.464 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2ccccc2)CC1 ZINC000058626262 1115275908 /nfs/dbraw/zinc/27/59/08/1115275908.db2.gz VXLCJMBVHAOLQP-UHFFFAOYSA-N 1 0 367.449 4.111 20 5 FIBDRO CC(=O)Nc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3C)cc2)cc1[N+](=O)[O-] ZINC000592985988 1115278396 /nfs/dbraw/zinc/27/83/96/1115278396.db2.gz JWTSHAQROZJHMF-AWEZNQCLSA-N 1 0 353.422 4.205 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](C)CC(F)F)o2)c([N+](=O)[O-])c1 ZINC000592372510 1115280740 /nfs/dbraw/zinc/28/07/40/1115280740.db2.gz CKHXXZGWQDPWCP-LLVKDONJSA-N 1 0 354.353 4.244 20 5 FIBDRO Cc1ccc(-c2nn(C)cc2C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000592497730 1115329649 /nfs/dbraw/zinc/32/96/49/1115329649.db2.gz AGGVXXQDHDILGQ-UHFFFAOYSA-N 1 0 366.421 4.061 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000226514732 1115391783 /nfs/dbraw/zinc/39/17/83/1115391783.db2.gz URCZDPZBQYBLHH-AAEUAGOBSA-N 1 0 363.767 4.306 20 5 FIBDRO COc1cncc(/C=C/CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000574515297 1115416835 /nfs/dbraw/zinc/41/68/35/1115416835.db2.gz VRWUFGWOAKYONI-GQCTYLIASA-N 1 0 353.422 4.066 20 5 FIBDRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000594502509 1115451418 /nfs/dbraw/zinc/45/14/18/1115451418.db2.gz JQBCDLJQOBYYDC-IBGZPJMESA-N 1 0 362.433 4.174 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccc2c(c1)OCCO2 ZINC000595018090 1115503909 /nfs/dbraw/zinc/50/39/09/1115503909.db2.gz PVDBLQFZGPNQRP-SUMWQHHRSA-N 1 0 372.421 4.177 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCn1c(C)nc2ccccc21 ZINC000595005421 1115507126 /nfs/dbraw/zinc/50/71/26/1115507126.db2.gz YJOJDMYJEADBPU-CQSZACIVSA-N 1 0 368.437 4.002 20 5 FIBDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1OC ZINC000595005628 1115507197 /nfs/dbraw/zinc/50/71/97/1115507197.db2.gz BTVFNDWTLCJALT-UONOGXRCSA-N 1 0 374.437 4.341 20 5 FIBDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595027821 1115510196 /nfs/dbraw/zinc/51/01/96/1115510196.db2.gz TYYJIVZTAYULAW-LAPQFRIASA-N 1 0 374.437 4.039 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000595045783 1115511579 /nfs/dbraw/zinc/51/15/79/1115511579.db2.gz HGPZNKFFEPIAHY-POZUXBRTSA-N 1 0 356.422 4.174 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1nsc2ccccc12 ZINC000595094520 1115517639 /nfs/dbraw/zinc/51/76/39/1115517639.db2.gz LDEMZODMEXLJAM-LBPRGKRZSA-N 1 0 357.435 4.106 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000595095287 1115518099 /nfs/dbraw/zinc/51/80/99/1115518099.db2.gz IAKIVKVHCYQSQQ-ONGXBYRLSA-N 1 0 372.465 4.402 20 5 FIBDRO Cc1noc(C[N@@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000595484956 1115536848 /nfs/dbraw/zinc/53/68/48/1115536848.db2.gz PUCPHTSGMIBJNP-ZDUSSCGKSA-N 1 0 369.343 4.290 20 5 FIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000595838768 1115563901 /nfs/dbraw/zinc/56/39/01/1115563901.db2.gz WATDTMOTTAKMJM-CZUORRHYSA-N 1 0 356.426 4.218 20 5 FIBDRO Cc1cc(N2CCC([C@@H]3CCCCO3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596497444 1115597314 /nfs/dbraw/zinc/59/73/14/1115597314.db2.gz SNNBOXKAPOTIIE-FQEVSTJZSA-N 1 0 355.438 4.237 20 5 FIBDRO COCC1(C2CCC2)C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000597190269 1115645677 /nfs/dbraw/zinc/64/56/77/1115645677.db2.gz AOPTUYZTOBNFRU-UHFFFAOYSA-N 1 0 356.422 4.103 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)ccc1Cl ZINC000761249156 1115701957 /nfs/dbraw/zinc/70/19/57/1115701957.db2.gz HLPSZYVWWXVMGT-SFHVURJKSA-N 1 0 360.841 4.120 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](CO)CC3)o2)c(Cl)c1 ZINC000560627323 1115715333 /nfs/dbraw/zinc/71/53/33/1115715333.db2.gz FVYQIXFASVRDEJ-ZDUSSCGKSA-N 1 0 364.829 4.103 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)c([N+](=O)[O-])cc1O ZINC000599006818 1115776414 /nfs/dbraw/zinc/77/64/14/1115776414.db2.gz JUUKJIWKECEJBI-HNNXBMFYSA-N 1 0 362.813 4.130 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000603497580 1115785814 /nfs/dbraw/zinc/78/58/14/1115785814.db2.gz DSUAOKSXYHBFSS-SFHVURJKSA-N 1 0 373.840 4.332 20 5 FIBDRO C[N@@H+]1CCCC[C@H](CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000599070731 1115787071 /nfs/dbraw/zinc/78/70/71/1115787071.db2.gz OGHJDWFKUBQJPS-DYESRHJHSA-N 1 0 353.466 4.006 20 5 FIBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc(OC)c(OC)c(OC)c1 ZINC000593704200 1115800612 /nfs/dbraw/zinc/80/06/12/1115800612.db2.gz ASQYXFHIEKCGMP-GUYCJALGSA-N 1 0 374.437 4.423 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cc(OC)c(OC)c(OC)c1 ZINC000593708103 1115801654 /nfs/dbraw/zinc/80/16/54/1115801654.db2.gz HNKZREACCFXVHH-XJKSGUPXSA-N 1 0 374.437 4.423 20 5 FIBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000593722902 1115804861 /nfs/dbraw/zinc/80/48/61/1115804861.db2.gz RIDIZQBBQYYQBU-YSGRDPCXSA-N 1 0 367.449 4.222 20 5 FIBDRO COc1ccc(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000603838839 1115818275 /nfs/dbraw/zinc/81/82/75/1115818275.db2.gz OLMHLGDMGCFWMR-UHFFFAOYSA-N 1 0 354.328 4.254 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000599506591 1115820512 /nfs/dbraw/zinc/82/05/12/1115820512.db2.gz NNQIKNAWNFYXQH-UHFFFAOYSA-N 1 0 370.453 4.090 20 5 FIBDRO CC[NH+](CC)CCOc1ccc(CNc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000603859143 1115822137 /nfs/dbraw/zinc/82/21/37/1115822137.db2.gz DBNKDTZSILBBLG-UHFFFAOYSA-N 1 0 361.417 4.067 20 5 FIBDRO COc1ccc(C[N@H+](C)Cc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000603840930 1115822559 /nfs/dbraw/zinc/82/25/59/1115822559.db2.gz OHPWLLGGLABOJK-UHFFFAOYSA-N 1 0 354.328 4.254 20 5 FIBDRO COc1ccc(C[N@H+](C)CCCOc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000603867281 1115823690 /nfs/dbraw/zinc/82/36/90/1115823690.db2.gz OEEZHJAXAWMQBD-UHFFFAOYSA-N 1 0 364.829 4.158 20 5 FIBDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1[N+](=O)[O-] ZINC000603889938 1115826644 /nfs/dbraw/zinc/82/66/44/1115826644.db2.gz GNDSAHZKXMOTNO-QGZVFWFLSA-N 1 0 365.433 4.464 20 5 FIBDRO C/C=C/C[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000599689600 1115836314 /nfs/dbraw/zinc/83/63/14/1115836314.db2.gz JZYKUYLKBPCGIW-NMONBKHDSA-N 1 0 356.426 4.384 20 5 FIBDRO COc1ccccc1C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000604013538 1115840745 /nfs/dbraw/zinc/84/07/45/1115840745.db2.gz OLPMQNCMXHWRHS-UHFFFAOYSA-N 1 0 356.422 4.037 20 5 FIBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(OCc3ccccc3)CC2)cc1 ZINC000604012453 1115840961 /nfs/dbraw/zinc/84/09/61/1115840961.db2.gz DOQOXBYXVBDJQF-UHFFFAOYSA-N 1 0 370.449 4.045 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@H]2CCOC2)cc1 ZINC000604419091 1115864911 /nfs/dbraw/zinc/86/49/11/1115864911.db2.gz CKMGUZYMVRZVSP-CQSZACIVSA-N 1 0 362.813 4.167 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000063524687 1116077943 /nfs/dbraw/zinc/07/79/43/1116077943.db2.gz CFEHUGCNKXSSKK-HXUWFJFHSA-N 1 0 367.449 4.377 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccco1)C1CCCC1 ZINC000063522305 1116078026 /nfs/dbraw/zinc/07/80/26/1116078026.db2.gz QEFWZOGZRSVUCZ-UHFFFAOYSA-N 1 0 371.437 4.270 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000608782184 1116128341 /nfs/dbraw/zinc/12/83/41/1116128341.db2.gz LTUSEFHFYYUUFC-UHFFFAOYSA-N 1 0 373.840 4.461 20 5 FIBDRO Cn1cc(C[NH2+]CCCCc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608835905 1116131147 /nfs/dbraw/zinc/13/11/47/1116131147.db2.gz XLNMKLJBCDXWIF-UHFFFAOYSA-N 1 0 364.449 4.108 20 5 FIBDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000608836569 1116131190 /nfs/dbraw/zinc/13/11/90/1116131190.db2.gz UJGJOBNXBQPOGP-WDEREUQCSA-N 1 0 365.227 4.363 20 5 FIBDRO C[C@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[NH+]1CCCCC1 ZINC000608836097 1116131370 /nfs/dbraw/zinc/13/13/70/1116131370.db2.gz KAAQWGTVKIHCBV-MRXNPFEDSA-N 1 0 357.454 4.066 20 5 FIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C)CC1 ZINC000608836959 1116131478 /nfs/dbraw/zinc/13/14/78/1116131478.db2.gz DEHAIMKAGULQKB-INIZCTEOSA-N 1 0 357.454 4.065 20 5 FIBDRO Cc1cn2cc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)ccc2n1 ZINC000608879459 1116133545 /nfs/dbraw/zinc/13/35/45/1116133545.db2.gz UMGVJDOSIAKXFC-UHFFFAOYSA-N 1 0 352.394 4.101 20 5 FIBDRO Cc1cccc(OCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000608982411 1116139631 /nfs/dbraw/zinc/13/96/31/1116139631.db2.gz DGKZPVYSOAUYDV-UHFFFAOYSA-N 1 0 352.390 4.332 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C3CCCC3)CC2)nc1-c1ccccc1 ZINC000534144134 1116162196 /nfs/dbraw/zinc/16/21/96/1116162196.db2.gz MIVBWAIVZVNYIU-UHFFFAOYSA-N 1 0 366.465 4.112 20 5 FIBDRO O=[N+]([O-])c1ccc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)c(F)c1 ZINC000491227311 1116204548 /nfs/dbraw/zinc/20/45/48/1116204548.db2.gz BJBQLGDWANKIHH-SFHVURJKSA-N 1 0 362.376 4.054 20 5 FIBDRO CN1Cc2ccccc2[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000534531108 1116210900 /nfs/dbraw/zinc/21/09/00/1116210900.db2.gz MYHPVLBSTHHHLQ-FQEVSTJZSA-N 1 0 363.417 4.131 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825535 1116309005 /nfs/dbraw/zinc/30/90/05/1116309005.db2.gz GMZCHTMWTQYOSX-CQSZACIVSA-N 1 0 367.405 4.124 20 5 FIBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907091 1116347041 /nfs/dbraw/zinc/34/70/41/1116347041.db2.gz LJQPJTWXTPTORL-SJORKVTESA-N 1 0 361.467 4.356 20 5 FIBDRO CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000539647672 1116360117 /nfs/dbraw/zinc/36/01/17/1116360117.db2.gz GCTHRAPINHYVAI-KRWDZBQOSA-N 1 0 368.481 4.298 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000539819099 1116385219 /nfs/dbraw/zinc/38/52/19/1116385219.db2.gz MFQASMPSWQSESQ-KRWDZBQOSA-N 1 0 369.465 4.305 20 5 FIBDRO COc1ccccc1/C=C\C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000539834864 1116388770 /nfs/dbraw/zinc/38/87/70/1116388770.db2.gz QQGASPKWJGFNJC-XQRVVYSFSA-N 1 0 368.433 4.160 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000539884934 1116396846 /nfs/dbraw/zinc/39/68/46/1116396846.db2.gz BWICYNGBBQITLB-INIZCTEOSA-N 1 0 370.840 4.263 20 5 FIBDRO COc1ccccc1O[C@@H](C)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000462738536 1117743410 /nfs/dbraw/zinc/74/34/10/1117743410.db2.gz LGUYZOHLPSWYRX-HNNXBMFYSA-N 1 0 358.438 4.284 20 5 FIBDRO Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000595099131 1117745844 /nfs/dbraw/zinc/74/58/44/1117745844.db2.gz ROHUFQCGOLFPDL-SFHVURJKSA-N 1 0 354.454 4.108 20 5 FIBDRO C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C[C@H]1CCC[C@@H]1O ZINC000539912641 1117749722 /nfs/dbraw/zinc/74/97/22/1117749722.db2.gz FFFUGWPMAHLDCP-BEFAXECRSA-N 1 0 374.412 4.119 20 5 FIBDRO COc1cc2c(c(C[NH2+]CCCCc3ccc([N+](=O)[O-])cc3)c1)O[C@@H](C)C2 ZINC000462760414 1117753006 /nfs/dbraw/zinc/75/30/06/1117753006.db2.gz JFQLONRHNQHLNG-HNNXBMFYSA-N 1 0 370.449 4.039 20 5 FIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cccc(OC(F)F)c2)cc1 ZINC000462765182 1117755100 /nfs/dbraw/zinc/75/51/00/1117755100.db2.gz HLINGWDXPUMZPA-UHFFFAOYSA-N 1 0 350.365 4.309 20 5 FIBDRO CCCn1c2ccccc2nc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000462757830 1117757606 /nfs/dbraw/zinc/75/76/06/1117757606.db2.gz BWGLKUSKTSBHLP-UHFFFAOYSA-N 1 0 366.465 4.467 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000462826989 1117798457 /nfs/dbraw/zinc/79/84/57/1117798457.db2.gz RWCWCBLQUURQSN-DHDCSXOGSA-N 1 0 350.418 4.251 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000540147966 1117899051 /nfs/dbraw/zinc/89/90/51/1117899051.db2.gz QXSPJQFHNJQAAL-DLBZAZTESA-N 1 0 368.481 4.174 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@H]1CCCC[C@@H]1O ZINC000540164973 1117917948 /nfs/dbraw/zinc/91/79/48/1117917948.db2.gz PTJIBKYQDRLHGR-NUJGCVRESA-N 1 0 366.527 4.386 20 5 FIBDRO C[C@@H](c1ccsc1)[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000463063463 1117947875 /nfs/dbraw/zinc/94/78/75/1117947875.db2.gz VBGQRCRSNKVNTC-LEXSJLIMSA-N 1 0 357.479 4.048 20 5 FIBDRO COc1cccc([C@H](C)[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000540332246 1117996045 /nfs/dbraw/zinc/99/60/45/1117996045.db2.gz DRJFNYVFTIPGGR-AWEZNQCLSA-N 1 0 367.405 4.152 20 5 FIBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C)cc1 ZINC000540362167 1118014507 /nfs/dbraw/zinc/01/45/07/1118014507.db2.gz INAGCQSWEWXSJK-INIZCTEOSA-N 1 0 361.829 4.236 20 5 FIBDRO Cc1ccccc1[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000540360720 1118014784 /nfs/dbraw/zinc/01/47/84/1118014784.db2.gz YBHWTHZMXQXOID-IBGZPJMESA-N 1 0 355.438 4.137 20 5 FIBDRO CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000540379847 1118031093 /nfs/dbraw/zinc/03/10/93/1118031093.db2.gz JHGOEIYLWRGEGM-GJZGRUSLSA-N 1 0 355.438 4.398 20 5 FIBDRO CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000540379848 1118031761 /nfs/dbraw/zinc/03/17/61/1118031761.db2.gz JHGOEIYLWRGEGM-HUUCEWRRSA-N 1 0 355.438 4.398 20 5 FIBDRO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000540588593 1118145207 /nfs/dbraw/zinc/14/52/07/1118145207.db2.gz ATDHZGYMLQHNEJ-RBZFPXEDSA-N 1 0 354.406 4.168 20 5 FIBDRO CC(=O)Nc1ccc([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000540991719 1118341229 /nfs/dbraw/zinc/34/12/29/1118341229.db2.gz MMMOGRWXOWGBBQ-HNNXBMFYSA-N 1 0 355.438 4.227 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CC2(CCO)CCCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541543868 1118549360 /nfs/dbraw/zinc/54/93/60/1118549360.db2.gz UCGVYJPNWDWKLW-FQEVSTJZSA-N 1 0 372.465 4.372 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000541565995 1118557185 /nfs/dbraw/zinc/55/71/85/1118557185.db2.gz GSHPEVRMFAJZRX-HNNXBMFYSA-N 1 0 358.438 4.489 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCCNc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000541559390 1118562912 /nfs/dbraw/zinc/56/29/12/1118562912.db2.gz OVTGZSLLALHVKW-CQSZACIVSA-N 1 0 361.417 4.285 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000541761982 1118634749 /nfs/dbraw/zinc/63/47/49/1118634749.db2.gz FHRDKQJSUDGCKG-QAPCUYQASA-N 1 0 364.804 4.397 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464834106 1118708389 /nfs/dbraw/zinc/70/83/89/1118708389.db2.gz FYTDOVPGXNFSQV-IEBWSBKVSA-N 1 0 353.466 4.110 20 5 FIBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000464841787 1118717910 /nfs/dbraw/zinc/71/79/10/1118717910.db2.gz XZHYATMQYGIAAY-RHSMWYFYSA-N 1 0 374.437 4.357 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000464858895 1118726896 /nfs/dbraw/zinc/72/68/96/1118726896.db2.gz XEMYLJGEDXUHOU-KSSFIOAISA-N 1 0 371.437 4.298 20 5 FIBDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000542247183 1118866601 /nfs/dbraw/zinc/86/66/01/1118866601.db2.gz PMODCCAOWGTOHB-KDOFPFPSSA-N 1 0 356.422 4.195 20 5 FIBDRO C[C@@]1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO[C@H]1C1CC1 ZINC000542313683 1118898855 /nfs/dbraw/zinc/89/88/55/1118898855.db2.gz CXWUYBHNOOUATE-RBUKOAKNSA-N 1 0 358.463 4.371 20 5 FIBDRO C[C@@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO[C@H]1C1CC1 ZINC000542315329 1118899518 /nfs/dbraw/zinc/89/95/18/1118899518.db2.gz RDCKKXRJKHUYIY-RBUKOAKNSA-N 1 0 358.463 4.371 20 5 FIBDRO COCC(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000491412161 1118949045 /nfs/dbraw/zinc/94/90/45/1118949045.db2.gz DZEYJAZBLAFECL-UHFFFAOYSA-N 1 0 352.818 4.270 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000491573880 1118965631 /nfs/dbraw/zinc/96/56/31/1118965631.db2.gz UUZGQSOMCAZMJX-UHFFFAOYSA-N 1 0 361.392 4.498 20 5 FIBDRO Cc1cc(Br)cc2c1[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CC2 ZINC000491822637 1118983728 /nfs/dbraw/zinc/98/37/28/1118983728.db2.gz WYKNPJNDJIEYET-OAHLLOKOSA-N 1 0 361.239 4.443 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1OCCc2sccc21 ZINC000492023975 1119004744 /nfs/dbraw/zinc/00/47/44/1119004744.db2.gz NVKXPLLAAWHSCC-QFYYESIMSA-N 1 0 352.843 4.102 20 5 FIBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)ccc1[N+](=O)[O-] ZINC000492462308 1119097327 /nfs/dbraw/zinc/09/73/27/1119097327.db2.gz MTGIDDKZRYZTNQ-SFHVURJKSA-N 1 0 356.422 4.339 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OCC)c2)cc1OC ZINC000492580813 1119135957 /nfs/dbraw/zinc/13/59/57/1119135957.db2.gz FUEWOUMKQGPZLE-AWEZNQCLSA-N 1 0 374.437 4.252 20 5 FIBDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1)CCC2 ZINC000492702223 1119168403 /nfs/dbraw/zinc/16/84/03/1119168403.db2.gz KHSDLWJCXSXXNR-OAHLLOKOSA-N 1 0 361.467 4.132 20 5 FIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cnc(C(F)(F)F)s2)cc1 ZINC000443988812 1119172177 /nfs/dbraw/zinc/17/21/77/1119172177.db2.gz NBESTUZNOJTXHL-UHFFFAOYSA-N 1 0 359.373 4.183 20 5 FIBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000492771371 1119190076 /nfs/dbraw/zinc/19/00/76/1119190076.db2.gz MCGFLPLYVNMHMC-KFKAGJAMSA-N 1 0 362.470 4.019 20 5 FIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccccc1N1CCCC1 ZINC000761507771 1119403041 /nfs/dbraw/zinc/40/30/41/1119403041.db2.gz WTNKFNZEEGBMKQ-UHFFFAOYSA-N 1 0 359.857 4.480 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCCC2)cc1Cl ZINC000761516635 1119408145 /nfs/dbraw/zinc/40/81/45/1119408145.db2.gz OHKBANNIRGMQHK-INIZCTEOSA-N 1 0 365.886 4.236 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761526563 1119409820 /nfs/dbraw/zinc/40/98/20/1119409820.db2.gz OWFKQDGSUPXMCJ-BEFAXECRSA-N 1 0 373.884 4.248 20 5 FIBDRO CCC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000493240670 1119431437 /nfs/dbraw/zinc/43/14/37/1119431437.db2.gz WLXFCBWRYBZCJN-VUCTXSBTSA-N 1 0 352.862 4.274 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3)nc2c1 ZINC000493521890 1119472946 /nfs/dbraw/zinc/47/29/46/1119472946.db2.gz HAXAWCQEGTYCET-NVXWUHKLSA-N 1 0 351.406 4.237 20 5 FIBDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494036513 1119527121 /nfs/dbraw/zinc/52/71/21/1119527121.db2.gz CVVNKTZOTUPQCL-YWZLYKJASA-N 1 0 370.449 4.394 20 5 FIBDRO CCc1ccc([C@H]([NH2+]C[C@@](C)(O)[C@@H](C)CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542474531 1119555179 /nfs/dbraw/zinc/55/51/79/1119555179.db2.gz HDMPLMFHQWBJRH-VHKYSDTDSA-N 1 0 360.454 4.226 20 5 FIBDRO COc1ccc(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)cc1[N+](=O)[O-] ZINC000609194991 1119840925 /nfs/dbraw/zinc/84/09/25/1119840925.db2.gz VMPCIHPQSWSNKV-UHFFFAOYSA-N 1 0 362.376 4.261 20 5 FIBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000494469292 1119871520 /nfs/dbraw/zinc/87/15/20/1119871520.db2.gz BVPZHVQAGLGGSD-GFCCVEGCSA-N 1 0 368.355 4.343 20 5 FIBDRO CC(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccnc1 ZINC000494491942 1119879206 /nfs/dbraw/zinc/87/92/06/1119879206.db2.gz FGDPXFNPVLEUGF-MRXNPFEDSA-N 1 0 353.344 4.496 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)c1 ZINC000494521159 1119888449 /nfs/dbraw/zinc/88/84/49/1119888449.db2.gz SVKYOEMZLOQMGL-UHFFFAOYSA-N 1 0 353.422 4.127 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000609214572 1120454890 /nfs/dbraw/zinc/45/48/90/1120454890.db2.gz JZJJUGVMWBVFJC-HNNXBMFYSA-N 1 0 370.453 4.154 20 5 FIBDRO Cc1ccc(NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000609214610 1120455339 /nfs/dbraw/zinc/45/53/39/1120455339.db2.gz OTRCBEHADQMDSA-OAHLLOKOSA-N 1 0 370.453 4.154 20 5 FIBDRO C[C@H](C1CC1)[NH+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000914867056 1120604998 /nfs/dbraw/zinc/60/49/98/1120604998.db2.gz RLHHNQZAIFHDKW-CQSZACIVSA-N 1 0 355.394 4.304 20 5 FIBDRO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193277058 1120649316 /nfs/dbraw/zinc/64/93/16/1120649316.db2.gz LPBXZVWLFBROEO-OAQYLSRUSA-N 1 0 362.433 4.256 20 5 FIBDRO Cn1c(=O)c2cc3ccccc3cc2nc1SCC[C@H]1CCCC[N@@H+]1C ZINC000495389351 1120774522 /nfs/dbraw/zinc/77/45/22/1120774522.db2.gz JFNAZXWYXFQQSK-QGZVFWFLSA-N 1 0 367.518 4.053 20 5 FIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2n1C ZINC000495421981 1120799217 /nfs/dbraw/zinc/79/92/17/1120799217.db2.gz XAFNYBLXRJRFGK-GFCCVEGCSA-N 1 0 358.829 4.028 20 5 FIBDRO CC[NH+]1CCC(Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301071226 1120928126 /nfs/dbraw/zinc/92/81/26/1120928126.db2.gz MHWRUKRXRQATJD-UHFFFAOYSA-N 1 0 351.756 4.163 20 5 FIBDRO C[C@@H]([NH2+]C(C)(C)c1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000542569697 1120959904 /nfs/dbraw/zinc/95/99/04/1120959904.db2.gz RDKRZOINTYVEAE-SNVBAGLBSA-N 1 0 367.858 4.162 20 5 FIBDRO C[C@@H]1C[C@H]1C[NH+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000915634775 1121012481 /nfs/dbraw/zinc/01/24/81/1121012481.db2.gz NMDBCWKTGTYDET-PBHICJAKSA-N 1 0 355.394 4.161 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)cccc1[N+](=O)[O-] ZINC000090656975 1121101850 /nfs/dbraw/zinc/10/18/50/1121101850.db2.gz MMQQIGSNRGCJED-LPHOPBHVSA-N 1 0 356.466 4.356 20 5 FIBDRO CCC[C@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000090658200 1121101871 /nfs/dbraw/zinc/10/18/71/1121101871.db2.gz KKGDZBCECRCWGO-SFHVURJKSA-N 1 0 366.421 4.318 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000090941753 1121158286 /nfs/dbraw/zinc/15/82/86/1121158286.db2.gz QRVHMTZIQVDWQR-MRXNPFEDSA-N 1 0 365.380 4.265 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCC(OC(C)C)CC2)cc1[N+](=O)[O-] ZINC000090771631 1121343345 /nfs/dbraw/zinc/34/33/45/1121343345.db2.gz WRGHLJQXHZYOAY-ODIFPOPNSA-N 1 0 350.459 4.380 20 5 FIBDRO CC1CC[NH+](C[C@@H]2CCCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)CC1 ZINC000488057071 1121345550 /nfs/dbraw/zinc/34/55/50/1121345550.db2.gz MDRMJLVPBBVDGF-KRWDZBQOSA-N 1 0 368.481 4.091 20 5 FIBDRO C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC000916571930 1121548211 /nfs/dbraw/zinc/54/82/11/1121548211.db2.gz UEPQIIXMBQPZHW-KRWDZBQOSA-N 1 0 373.840 4.196 20 5 FIBDRO CC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000916569608 1121548555 /nfs/dbraw/zinc/54/85/55/1121548555.db2.gz OUEPBVQLYSIUML-HNNXBMFYSA-N 1 0 361.829 4.236 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC001649091878 1121725217 /nfs/dbraw/zinc/72/52/17/1121725217.db2.gz VYLKAYFJAZWDOV-NRFANRHFSA-N 1 0 350.418 4.188 20 5 FIBDRO C[C@H]1C[C@@H](N(C)c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000301452185 1121963280 /nfs/dbraw/zinc/96/32/80/1121963280.db2.gz XQNMYBPHNVFKEA-UWVGGRQHSA-N 1 0 365.783 4.186 20 5 FIBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000301453257 1122026220 /nfs/dbraw/zinc/02/62/20/1122026220.db2.gz AYFICOWJARLBLH-AWEZNQCLSA-N 1 0 355.225 4.011 20 5 FIBDRO CSc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000282277708 1122142652 /nfs/dbraw/zinc/14/26/52/1122142652.db2.gz QETKVVUAACBNBN-GFCCVEGCSA-N 1 0 360.435 4.034 20 5 FIBDRO C[N@H+](CCc1cccs1)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000072800874 1123152367 /nfs/dbraw/zinc/15/23/67/1123152367.db2.gz SAMXUAHSTZDWLT-UHFFFAOYSA-N 1 0 357.435 4.028 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)o1 ZINC000556887998 1123175117 /nfs/dbraw/zinc/17/51/17/1123175117.db2.gz SLMHQAPHWNGPLQ-UHFFFAOYSA-N 1 0 356.422 4.247 20 5 FIBDRO CC1(C)C[C@H]([NH2+]CC2(c3ccccn3)CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000556922300 1123232336 /nfs/dbraw/zinc/23/23/36/1123232336.db2.gz AZSQXYDOQZTEDB-SFHVURJKSA-N 1 0 351.450 4.424 20 5 FIBDRO COc1ccccc1[C@H](CNc1cccc(F)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000919963501 1123288313 /nfs/dbraw/zinc/28/83/13/1123288313.db2.gz VTAOJDWSYDAACT-SFHVURJKSA-N 1 0 373.428 4.382 20 5 FIBDRO C[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C1CCC(C(C)(C)C)CC1 ZINC000921046415 1123557229 /nfs/dbraw/zinc/55/72/29/1123557229.db2.gz OOQWHMWFWPZCCZ-UHFFFAOYSA-N 1 0 373.295 4.048 20 5 FIBDRO CC(C)C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000609549849 1123755111 /nfs/dbraw/zinc/75/51/11/1123755111.db2.gz BKRJYMZXTSKJOV-WMZOPIPTSA-N 1 0 369.465 4.090 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000609586638 1123760119 /nfs/dbraw/zinc/76/01/19/1123760119.db2.gz NDSVFDOPZBKUIM-HXUWFJFHSA-N 1 0 355.438 4.410 20 5 FIBDRO C[C@H](CCc1ccco1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609598491 1123769680 /nfs/dbraw/zinc/76/96/80/1123769680.db2.gz RZPNBRSZBDRTRJ-CYBMUJFWSA-N 1 0 357.435 4.422 20 5 FIBDRO Cc1ccccc1OCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237568810 1123982902 /nfs/dbraw/zinc/98/29/02/1123982902.db2.gz QUQUFIBZVCLFIN-UHFFFAOYSA-N 1 0 369.446 4.195 20 5 FIBDRO COc1ccc2c(c1)CC[C@@H]([NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C2 ZINC000615727405 1124108610 /nfs/dbraw/zinc/10/86/10/1124108610.db2.gz VZQCBVFSLSKCKQ-JVVYVMHDSA-N 1 0 352.434 4.154 20 5 FIBDRO O=C(NC1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1)C1CC1 ZINC000179913488 1124142304 /nfs/dbraw/zinc/14/23/04/1124142304.db2.gz ZKXIRJDXLQYSGT-UHFFFAOYSA-N 1 0 358.485 4.484 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCOC2)ccc1Oc1ccc(F)cc1 ZINC000237881326 1124152277 /nfs/dbraw/zinc/15/22/77/1124152277.db2.gz JUXJPRQGLVSDRD-HNNXBMFYSA-N 1 0 360.385 4.042 20 5 FIBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273515514 1124191170 /nfs/dbraw/zinc/19/11/70/1124191170.db2.gz PEBMNOMFBMILEL-JKSUJKDBSA-N 1 0 350.415 4.148 20 5 FIBDRO COc1ccc2oc([C@@H](C)[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)c(C)c2c1 ZINC000765850381 1124204963 /nfs/dbraw/zinc/20/49/63/1124204963.db2.gz YAAVJOVBHLMEFV-ACJLOTCBSA-N 1 0 370.405 4.042 20 5 FIBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000765850685 1124214221 /nfs/dbraw/zinc/21/42/21/1124214221.db2.gz ZJUPVPXYHRSIIK-CVEARBPZSA-N 1 0 364.854 4.108 20 5 FIBDRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000153725930 1124367197 /nfs/dbraw/zinc/36/71/97/1124367197.db2.gz LBISUYUDTOMBAQ-CYBMUJFWSA-N 1 0 354.385 4.079 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000180826895 1124446533 /nfs/dbraw/zinc/44/65/33/1124446533.db2.gz ZGFNEEOWQOTTIU-CYBMUJFWSA-N 1 0 356.813 4.285 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000428838455 1124499298 /nfs/dbraw/zinc/49/92/98/1124499298.db2.gz HDPWKNONEBJPRD-INIZCTEOSA-N 1 0 355.438 4.313 20 5 FIBDRO C[N@@H+]1CCC[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000153832381 1124575447 /nfs/dbraw/zinc/57/54/47/1124575447.db2.gz VYIZDQRIITWQKY-XHDPSFHLSA-N 1 0 366.874 4.200 20 5 FIBDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC001168675944 1124749876 /nfs/dbraw/zinc/74/98/76/1124749876.db2.gz HLRDEKXVFMEXMF-APPDUMDISA-N 1 0 352.793 4.253 20 5 FIBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC001168675950 1124749942 /nfs/dbraw/zinc/74/99/42/1124749942.db2.gz HLRDEKXVFMEXMF-GTNSWQLSSA-N 1 0 352.793 4.253 20 5 FIBDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC001168675953 1124750077 /nfs/dbraw/zinc/75/00/77/1124750077.db2.gz HLRDEKXVFMEXMF-PIGZYNQJSA-N 1 0 352.793 4.253 20 5 FIBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCc2ccccc21 ZINC000170908234 1124860497 /nfs/dbraw/zinc/86/04/97/1124860497.db2.gz NXSHGZKZUVRAKO-IBGZPJMESA-N 1 0 363.417 4.412 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000254948984 1125071556 /nfs/dbraw/zinc/07/15/56/1125071556.db2.gz WSVNNBZWVPGPAZ-POHAHGRESA-N 1 0 352.434 4.289 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3ccc(F)cc3)cs2)c1 ZINC000113310936 1125146137 /nfs/dbraw/zinc/14/61/37/1125146137.db2.gz IPKWZRYONYYSAF-UHFFFAOYSA-N 1 0 357.410 4.190 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113314854 1125149304 /nfs/dbraw/zinc/14/93/04/1125149304.db2.gz SHQFQHXPRLFYSU-HNNXBMFYSA-N 1 0 374.510 4.072 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCOc3cccc(F)c3)cs2)c1 ZINC000113325595 1125151724 /nfs/dbraw/zinc/15/17/24/1125151724.db2.gz DYNQABZBGMMYIG-UHFFFAOYSA-N 1 0 373.409 4.026 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000181853368 1125154040 /nfs/dbraw/zinc/15/40/40/1125154040.db2.gz RHQREPYXCJTTAH-OAHLLOKOSA-N 1 0 355.438 4.054 20 5 FIBDRO Cc1ccc(C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)C)s1 ZINC000065162144 1125168149 /nfs/dbraw/zinc/16/81/49/1125168149.db2.gz LFMCSKARBZMIIE-UHFFFAOYSA-N 1 0 362.451 4.242 20 5 FIBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301743529 1125196610 /nfs/dbraw/zinc/19/66/10/1125196610.db2.gz MLWHZCNUIXVYJF-CYBMUJFWSA-N 1 0 360.845 4.281 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)CCC2 ZINC000618569067 1125208940 /nfs/dbraw/zinc/20/89/40/1125208940.db2.gz AMOXDHCSOGHPOP-RTWAWAEBSA-N 1 0 362.433 4.200 20 5 FIBDRO COc1cc2c(cc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)O[C@H](C)C2 ZINC000132075971 1125253399 /nfs/dbraw/zinc/25/33/99/1125253399.db2.gz XLGGWHLDDVHLRK-KGLIPLIRSA-N 1 0 356.422 4.086 20 5 FIBDRO COc1cc2c(cc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)O[C@@H](C)C2 ZINC000132075432 1125253431 /nfs/dbraw/zinc/25/34/31/1125253431.db2.gz XLGGWHLDDVHLRK-UONOGXRCSA-N 1 0 356.422 4.086 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000542997105 1125278807 /nfs/dbraw/zinc/27/88/07/1125278807.db2.gz MMYBHQQJTIAHFO-OAHLLOKOSA-N 1 0 350.422 4.155 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc4cnccc4c3)CC2)cc1 ZINC000618811084 1125286572 /nfs/dbraw/zinc/28/65/72/1125286572.db2.gz OXAMVCYTPKROFQ-UHFFFAOYSA-N 1 0 363.417 4.186 20 5 FIBDRO CC(C)[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccnn1C ZINC000618988304 1125423555 /nfs/dbraw/zinc/42/35/55/1125423555.db2.gz NZYFXECNTRTEQU-AEFFLSMTSA-N 1 0 356.470 4.080 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000098068114 222225016 /nfs/dbraw/zinc/22/50/16/222225016.db2.gz UDGOMVYXQYTWTA-LSDHHAIUSA-N 1 0 363.417 4.426 20 5 FIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000482071873 568253821 /nfs/dbraw/zinc/25/38/21/568253821.db2.gz HKRYCWBKFVWWPM-BEFAXECRSA-N 1 0 370.453 4.025 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)C)cc1 ZINC000568969188 568258640 /nfs/dbraw/zinc/25/86/40/568258640.db2.gz DXSSXVGHUKLJEQ-OAQYLSRUSA-N 1 0 369.465 4.473 20 5 FIBDRO CCC[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000482126501 568268377 /nfs/dbraw/zinc/26/83/77/568268377.db2.gz NDAJAKVYOZCUJX-IBGZPJMESA-N 1 0 355.438 4.410 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000031006300 568324872 /nfs/dbraw/zinc/32/48/72/568324872.db2.gz DFACAWHGHDQCPV-UHFFFAOYSA-N 1 0 361.829 4.017 20 5 FIBDRO Cc1c(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)cccc1[N+](=O)[O-] ZINC000181983976 568340319 /nfs/dbraw/zinc/34/03/19/568340319.db2.gz IZVJJHGNCGQRSG-HXUWFJFHSA-N 1 0 356.422 4.161 20 5 FIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000569443634 568402431 /nfs/dbraw/zinc/40/24/31/568402431.db2.gz NBKKJEDEPYROGE-CYBMUJFWSA-N 1 0 373.840 4.244 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000569629784 568411146 /nfs/dbraw/zinc/41/11/46/568411146.db2.gz IQQPPOSSOZMKEZ-MISYRCLQSA-N 1 0 365.477 4.110 20 5 FIBDRO Cc1ccc(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)cn1 ZINC000543059999 1125570980 /nfs/dbraw/zinc/57/09/80/1125570980.db2.gz QHPBHNGFNYYOAF-UHFFFAOYSA-N 1 0 369.465 4.465 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@H+](CCn2ccnc2)Cc2cccc(Cl)c2)cc1 ZINC000619532286 1125609235 /nfs/dbraw/zinc/60/92/35/1125609235.db2.gz UMZXGICNAMAKNH-UHFFFAOYSA-N 1 0 370.840 4.147 20 5 FIBDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000183145561 1125757010 /nfs/dbraw/zinc/75/70/10/1125757010.db2.gz JROKICVXPIURIR-HNNXBMFYSA-N 1 0 350.422 4.248 20 5 FIBDRO COc1cccc(N2CC[C@H](C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000157529994 1079966719 /nfs/dbraw/zinc/96/67/19/1079966719.db2.gz ZCQPKHZGJMTYDC-IAGOWNOFSA-N 1 0 369.465 4.089 20 5 FIBDRO COc1cc(C[N@H+](C2CC2)C2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000064809174 1079976357 /nfs/dbraw/zinc/97/63/57/1079976357.db2.gz GCZUDYSCENBEJY-UHFFFAOYSA-N 1 0 356.369 4.112 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000610225438 1080034047 /nfs/dbraw/zinc/03/40/47/1080034047.db2.gz WQBODNQBXWSYCQ-UHFFFAOYSA-N 1 0 367.449 4.184 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000430229094 1080035007 /nfs/dbraw/zinc/03/50/07/1080035007.db2.gz UUVMJRSFQAEVND-LLVKDONJSA-N 1 0 370.327 4.353 20 5 FIBDRO CC[C@@](C)(CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000134469247 1080237440 /nfs/dbraw/zinc/23/74/40/1080237440.db2.gz YDPBDKOKMVWBLR-KRWDZBQOSA-N 1 0 352.818 4.149 20 5 FIBDRO CC[C@](C)(CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000134469269 1080237679 /nfs/dbraw/zinc/23/76/79/1080237679.db2.gz YDPBDKOKMVWBLR-QGZVFWFLSA-N 1 0 352.818 4.149 20 5 FIBDRO CS[C@H]1CCCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000134548697 1080271705 /nfs/dbraw/zinc/27/17/05/1080271705.db2.gz GGMWYKFXKDCCJS-INIZCTEOSA-N 1 0 361.467 4.010 20 5 FIBDRO CC[N@H+](CCc1cccs1)Cc1cccc([N+](=O)[O-])c1Br ZINC001167206729 1080843671 /nfs/dbraw/zinc/84/36/71/1080843671.db2.gz SLLSVKMPZHLMLE-UHFFFAOYSA-N 1 0 369.284 4.483 20 5 FIBDRO CC[C@@H](O)CCC[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610271015 1080995428 /nfs/dbraw/zinc/99/54/28/1080995428.db2.gz CARXWEIRSGDYEX-GOSISDBHSA-N 1 0 357.454 4.003 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H]3CCC[C@@H]3c3ccccc3)n2)c1 ZINC000133962201 1081104192 /nfs/dbraw/zinc/10/41/92/1081104192.db2.gz NXIIZVLPMBWBHL-QZTJIDSGSA-N 1 0 364.405 4.071 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000118837875 1081208032 /nfs/dbraw/zinc/20/80/32/1081208032.db2.gz FOKORRBATJNXQC-CQSZACIVSA-N 1 0 350.422 4.412 20 5 FIBDRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000177457432 1081223026 /nfs/dbraw/zinc/22/30/26/1081223026.db2.gz GLGIONWNMCCCCW-UHFFFAOYSA-N 1 0 371.412 4.362 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175827211 1081369362 /nfs/dbraw/zinc/36/93/62/1081369362.db2.gz VKBYHJYIYZLYSV-ZBFHGGJFSA-N 1 0 366.870 4.398 20 5 FIBDRO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000610340661 1081495497 /nfs/dbraw/zinc/49/54/97/1081495497.db2.gz MQUTXMFWWIDNIT-QGZVFWFLSA-N 1 0 353.466 4.432 20 5 FIBDRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000610369503 1081554416 /nfs/dbraw/zinc/55/44/16/1081554416.db2.gz FHXIORNRXUCVSY-OXJNMPFZSA-N 1 0 373.497 4.159 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccccc1OC(F)F ZINC000471535701 1081572510 /nfs/dbraw/zinc/57/25/10/1081572510.db2.gz HBAYMWCUSNQCST-KAMYIIQDSA-N 1 0 362.376 4.432 20 5 FIBDRO Cc1ccccc1C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000561007295 1081619623 /nfs/dbraw/zinc/61/96/23/1081619623.db2.gz KWHQSEMCOLKRAC-UHFFFAOYSA-N 1 0 367.449 4.111 20 5 FIBDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000536849190 1081947104 /nfs/dbraw/zinc/94/71/04/1081947104.db2.gz ANXCLVHGOUAZTH-STXHMFSFSA-N 1 0 358.438 4.339 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@H]2CCO[C@H]2c2ccccc2)c1 ZINC000580727374 1082101295 /nfs/dbraw/zinc/10/12/95/1082101295.db2.gz KOWLUXJLZZODTO-IRXDYDNUSA-N 1 0 366.339 4.233 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@H]2CCO[C@@H]2c2ccccc2)c1 ZINC000580727372 1082101493 /nfs/dbraw/zinc/10/14/93/1082101493.db2.gz KOWLUXJLZZODTO-DLBZAZTESA-N 1 0 366.339 4.233 20 5 FIBDRO CC[NH+](CC)Cc1ccccc1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000430509652 1082123237 /nfs/dbraw/zinc/12/32/37/1082123237.db2.gz YDBBUCRRKQQLOE-UHFFFAOYSA-N 1 0 354.454 4.017 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(c2cccc(F)c2)CCOCC1 ZINC000255752154 1082132855 /nfs/dbraw/zinc/13/28/55/1082132855.db2.gz AMOVCZYWKFDWBP-XQRVVYSFSA-N 1 0 356.397 4.043 20 5 FIBDRO CCC(CC)c1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000121244715 1082147906 /nfs/dbraw/zinc/14/79/06/1082147906.db2.gz RRIOKCZVHYIJKU-UHFFFAOYSA-N 1 0 372.469 4.245 20 5 FIBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccco1 ZINC000579878571 1082149693 /nfs/dbraw/zinc/14/96/93/1082149693.db2.gz PKUKECLQJFMLKZ-WMLDXEAASA-N 1 0 373.453 4.170 20 5 FIBDRO O=[N+]([O-])c1sccc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000610469427 1082232135 /nfs/dbraw/zinc/23/21/35/1082232135.db2.gz ODPYIZKIKSEFAP-IBGZPJMESA-N 1 0 357.479 4.149 20 5 FIBDRO C[C@H](c1cccs1)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000157798729 1082330769 /nfs/dbraw/zinc/33/07/69/1082330769.db2.gz WDKOYGDQVPIMJF-CYBMUJFWSA-N 1 0 356.451 4.250 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C2CCN(CCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000177969306 1082443526 /nfs/dbraw/zinc/44/35/26/1082443526.db2.gz PMDWTBURZMEONY-GOSISDBHSA-N 1 0 367.493 4.261 20 5 FIBDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000055910981 1082926283 /nfs/dbraw/zinc/92/62/83/1082926283.db2.gz DEQDJMMAOPOAAV-LJQANCHMSA-N 1 0 354.406 4.107 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]CCc2ccccc2OC(F)F)cccc1[N+](=O)[O-] ZINC000471783270 1082986869 /nfs/dbraw/zinc/98/68/69/1082986869.db2.gz WGNRQVPUNCHCBV-CYBMUJFWSA-N 1 0 350.365 4.398 20 5 FIBDRO CO[C@H]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000471824859 1083068396 /nfs/dbraw/zinc/06/83/96/1083068396.db2.gz UWPSEWFIHKCOIR-WBVHZDCISA-N 1 0 360.385 4.183 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+]2CCCOCC2)cc1 ZINC000510509587 1083132381 /nfs/dbraw/zinc/13/23/81/1083132381.db2.gz WDFPJSUNODLTPB-UHFFFAOYSA-N 1 0 362.813 4.263 20 5 FIBDRO Cc1csc(C2([NH2+]CCCOc3ccc([N+](=O)[O-])cc3)CCCC2)n1 ZINC000610582557 1083212318 /nfs/dbraw/zinc/21/23/18/1083212318.db2.gz XXVWYKLEKYCISL-UHFFFAOYSA-N 1 0 361.467 4.188 20 5 FIBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1sccc1Br ZINC000548394909 1083224694 /nfs/dbraw/zinc/22/46/94/1083224694.db2.gz GBFXBZGRVFLRHC-JTQLQIEISA-N 1 0 355.257 4.312 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000510870424 1083349352 /nfs/dbraw/zinc/34/93/52/1083349352.db2.gz VDLMXTPPKOPKGH-HNNXBMFYSA-N 1 0 367.449 4.387 20 5 FIBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000188356776 1083527514 /nfs/dbraw/zinc/52/75/14/1083527514.db2.gz IIMIDWNSBRBKEB-UHFFFAOYSA-N 1 0 366.421 4.170 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614235771 1083580164 /nfs/dbraw/zinc/58/01/64/1083580164.db2.gz GIHKHDWMDKNBQZ-DLBZAZTESA-N 1 0 364.449 4.418 20 5 FIBDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000610812889 1083738289 /nfs/dbraw/zinc/73/82/89/1083738289.db2.gz OJKQOUORXZWQGQ-MAUKXSAKSA-N 1 0 361.392 4.193 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](Cc1nccn1C)c1ccccc1 ZINC000610828106 1083745780 /nfs/dbraw/zinc/74/57/80/1083745780.db2.gz KNLDZYKFAZPAGN-JXFKEZNVSA-N 1 0 364.449 4.271 20 5 FIBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2c2ccccc2C(F)(F)F)n1 ZINC000478008510 1083942995 /nfs/dbraw/zinc/94/29/95/1083942995.db2.gz FQIHEICQLWMWGV-OAHLLOKOSA-N 1 0 368.359 4.037 20 5 FIBDRO Cc1c(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000411996001 1083943685 /nfs/dbraw/zinc/94/36/85/1083943685.db2.gz FRIIBPUNPOVKDP-FQEVSTJZSA-N 1 0 352.434 4.257 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](Cc1nc(C)no1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000277209842 1084020828 /nfs/dbraw/zinc/02/08/28/1084020828.db2.gz WLHPYQSAZKZYKN-MOPGFXCFSA-N 1 0 366.421 4.311 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)cccc1[N+](=O)[O-] ZINC000157014113 1084294666 /nfs/dbraw/zinc/29/46/66/1084294666.db2.gz DNVSZFPAUKDRPM-GJZGRUSLSA-N 1 0 369.421 4.272 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000188619874 1084311279 /nfs/dbraw/zinc/31/12/79/1084311279.db2.gz FXGPPFZKIMSLGK-HEHGZKQESA-N 1 0 360.376 4.037 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000177779390 1084321349 /nfs/dbraw/zinc/32/13/49/1084321349.db2.gz RJCONUNTVZZUTC-YVEFUNNKSA-N 1 0 368.355 4.306 20 5 FIBDRO C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000158088289 1084356143 /nfs/dbraw/zinc/35/61/43/1084356143.db2.gz DFWJGULRFSTYIG-CABCVRRESA-N 1 0 359.495 4.316 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000581677008 1084582775 /nfs/dbraw/zinc/58/27/75/1084582775.db2.gz NLFXMWZHGWTHQZ-GUYCJALGSA-N 1 0 356.422 4.340 20 5 FIBDRO CC(F)(F)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000551239696 1084584625 /nfs/dbraw/zinc/58/46/25/1084584625.db2.gz ZTNQNCMXMNGBFP-HOTGVXAUSA-N 1 0 364.396 4.177 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000178152505 1084744851 /nfs/dbraw/zinc/74/48/51/1084744851.db2.gz SVPWORJCYCEZOI-UONOGXRCSA-N 1 0 353.422 4.200 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000178152514 1084744998 /nfs/dbraw/zinc/74/49/98/1084744998.db2.gz SVPWORJCYCEZOI-KBPBESRZSA-N 1 0 353.422 4.200 20 5 FIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000548722652 1084840530 /nfs/dbraw/zinc/84/05/30/1084840530.db2.gz MPQGVEUHCJMHLG-FQEVSTJZSA-N 1 0 351.381 4.051 20 5 FIBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000180210192 1084899045 /nfs/dbraw/zinc/89/90/45/1084899045.db2.gz RRYDRSMQTIVVBV-SFHVURJKSA-N 1 0 366.421 4.098 20 5 FIBDRO C[C@@H](c1ccc2ccccc2c1)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000478432588 1084951045 /nfs/dbraw/zinc/95/10/45/1084951045.db2.gz UVDDHSGUGDMSLU-HNNXBMFYSA-N 1 0 350.422 4.170 20 5 FIBDRO COc1cc(OC)c([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000478502304 1084959656 /nfs/dbraw/zinc/95/96/56/1084959656.db2.gz SGWHKUXOSWMZSC-LBPRGKRZSA-N 1 0 364.829 4.425 20 5 FIBDRO C[N@H+](CCCc1ccccc1)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000170912847 1084981881 /nfs/dbraw/zinc/98/18/81/1084981881.db2.gz FJODLFSISAMBIM-UHFFFAOYSA-N 1 0 365.433 4.357 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCC[C@@H]3CCCCO3)cs2)c1 ZINC000186284667 1085063184 /nfs/dbraw/zinc/06/31/84/1085063184.db2.gz OUKPEOXSHUJEDK-KRWDZBQOSA-N 1 0 361.467 4.157 20 5 FIBDRO C[C@@H](Cc1ccsc1)[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001167582220 1085103249 /nfs/dbraw/zinc/10/32/49/1085103249.db2.gz MKGYPJMCARBFRH-NSHDSACASA-N 1 0 369.284 4.482 20 5 FIBDRO CC(C)c1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000479418727 1085161602 /nfs/dbraw/zinc/16/16/02/1085161602.db2.gz YFLVXWJXQXXXCV-UHFFFAOYSA-N 1 0 364.449 4.409 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@H](c4ccccc4)[C@H]4CCC[C@H]43)nc2c1 ZINC000511878138 1085275077 /nfs/dbraw/zinc/27/50/77/1085275077.db2.gz WTBNMVWHEBAPLZ-MBOZVWFJSA-N 1 0 362.433 4.239 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(CCO)CCC3)o2)c(Cl)c1 ZINC000136542650 1085299205 /nfs/dbraw/zinc/29/92/05/1085299205.db2.gz WLNDMFSXNARSDZ-UHFFFAOYSA-N 1 0 364.829 4.151 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)cs1 ZINC000479881163 1085328515 /nfs/dbraw/zinc/32/85/15/1085328515.db2.gz GJFZZTCFZWRRLA-LBPRGKRZSA-N 1 0 371.384 4.044 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000611480894 1085446061 /nfs/dbraw/zinc/44/60/61/1085446061.db2.gz QGHLYDBHEBDSEV-AWEZNQCLSA-N 1 0 369.450 4.158 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCCCCC3)CC2)c2ccncc21 ZINC000108082572 1085462455 /nfs/dbraw/zinc/46/24/55/1085462455.db2.gz CVMYJDCJIBMIJP-UHFFFAOYSA-N 1 0 368.481 4.235 20 5 FIBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1ccc(C(C)(C)C)cc1)C(C)C ZINC000611662578 1085542838 /nfs/dbraw/zinc/54/28/38/1085542838.db2.gz ULHBUJFYBMNBDF-IBGZPJMESA-N 1 0 358.486 4.384 20 5 FIBDRO C[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000178648472 1085570857 /nfs/dbraw/zinc/57/08/57/1085570857.db2.gz GLMLMDNRPLEKAH-LBPRGKRZSA-N 1 0 354.328 4.387 20 5 FIBDRO Cc1ccccc1C1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000178649752 1085576461 /nfs/dbraw/zinc/57/64/61/1085576461.db2.gz ZAOWFQDBUKWYLH-KRWDZBQOSA-N 1 0 354.450 4.302 20 5 FIBDRO COc1ccc(Br)cc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178651719 1085585348 /nfs/dbraw/zinc/58/53/48/1085585348.db2.gz DOWFZWSMSGKNOS-LLVKDONJSA-N 1 0 365.227 4.217 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c(F)c1 ZINC000121874367 1085586838 /nfs/dbraw/zinc/58/68/38/1085586838.db2.gz BWNKJSPLXOHZJM-QAPCUYQASA-N 1 0 362.401 4.195 20 5 FIBDRO COc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000178652897 1085595995 /nfs/dbraw/zinc/59/59/95/1085595995.db2.gz LEQYYBSPXVZBOX-LLVKDONJSA-N 1 0 365.227 4.217 20 5 FIBDRO C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000178656479 1085681461 /nfs/dbraw/zinc/68/14/61/1085681461.db2.gz FYQDIJVPYISRCV-LBPRGKRZSA-N 1 0 372.812 4.192 20 5 FIBDRO Cc1ccccc1C[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104662020 1085746745 /nfs/dbraw/zinc/74/67/45/1085746745.db2.gz WUMLPCMWLDHSLF-UHFFFAOYSA-N 1 0 351.406 4.233 20 5 FIBDRO CSc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178681533 1085779290 /nfs/dbraw/zinc/77/92/90/1085779290.db2.gz VAJZWUHIPNHUJN-UONOGXRCSA-N 1 0 373.478 4.303 20 5 FIBDRO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178682283 1085780411 /nfs/dbraw/zinc/78/04/11/1085780411.db2.gz PYRHHUNVWPSLKV-KGLIPLIRSA-N 1 0 359.401 4.029 20 5 FIBDRO Cc1ccc2c(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc(=O)oc2c1C ZINC000178681736 1085798607 /nfs/dbraw/zinc/79/86/07/1085798607.db2.gz KMDSCMNJRRQTDM-OAHLLOKOSA-N 1 0 366.417 4.477 20 5 FIBDRO CSc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178690758 1085817273 /nfs/dbraw/zinc/81/72/73/1085817273.db2.gz VSTHKSDXYHXQPH-KBPBESRZSA-N 1 0 373.478 4.303 20 5 FIBDRO COc1ccc2c(c1)CC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C2 ZINC000612419742 1085854958 /nfs/dbraw/zinc/85/49/58/1085854958.db2.gz KHOAFYWPQXYTPP-KXBFYZLASA-N 1 0 354.450 4.072 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCc4c3cccc4O)o2)cc1 ZINC000105486588 1086560356 /nfs/dbraw/zinc/56/03/56/1086560356.db2.gz HCRURVHKVXQELI-GOSISDBHSA-N 1 0 350.374 4.338 20 5 FIBDRO O=[N+]([O-])c1cccc2c(NC[C@@H](c3cccs3)[NH+]3CCCC3)ccnc21 ZINC000432336256 1086626758 /nfs/dbraw/zinc/62/67/58/1086626758.db2.gz PIPUFRMBPVEZCZ-KRWDZBQOSA-N 1 0 368.462 4.454 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccccc2)CC2CCC2)c2c(c1)COCO2 ZINC000512041139 1086695504 /nfs/dbraw/zinc/69/55/04/1086695504.db2.gz SIPHMKYZWJBKMU-UHFFFAOYSA-N 1 0 368.433 4.264 20 5 FIBDRO O=C(CC[NH2+]Cc1ccc(Cl)cc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000548826148 1087347337 /nfs/dbraw/zinc/34/73/37/1087347337.db2.gz YNCIADRMNPJMBY-UHFFFAOYSA-N 1 0 368.220 4.020 20 5 FIBDRO Cc1cc(N2CCCO[C@H](c3ccccc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611925804 1087579213 /nfs/dbraw/zinc/57/92/13/1087579213.db2.gz BPWAKQQYOGBKBM-NRFANRHFSA-N 1 0 363.417 4.419 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ccccc2CO)s1 ZINC000102424336 1087697738 /nfs/dbraw/zinc/69/77/38/1087697738.db2.gz IBNDCANAJQAPOF-UHFFFAOYSA-N 1 0 354.431 4.105 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000424199460 1087842918 /nfs/dbraw/zinc/84/29/18/1087842918.db2.gz FDCMZOMVPVMVPK-BCDXTJNWSA-N 1 0 368.433 4.071 20 5 FIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180438959 1087914557 /nfs/dbraw/zinc/91/45/57/1087914557.db2.gz VKRYRLSSLXQDQI-JTQLQIEISA-N 1 0 368.220 4.191 20 5 FIBDRO Cc1nccn1C[C@H](C)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180442663 1087914774 /nfs/dbraw/zinc/91/47/74/1087914774.db2.gz MTUUZOPVLKJHKG-IIBYNOLFSA-N 1 0 364.449 4.115 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)Oc2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000504900556 1087955549 /nfs/dbraw/zinc/95/55/49/1087955549.db2.gz ZNLHNUQZCDRUIU-CABCVRRESA-N 1 0 374.437 4.120 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(CCO)CCCCC1 ZINC000504894199 1087967854 /nfs/dbraw/zinc/96/78/54/1087967854.db2.gz KFADEGJIBOIJNZ-MRXNPFEDSA-N 1 0 366.527 4.388 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](c2ccsc2)N(C)C)cc1[N+](=O)[O-] ZINC000504896699 1087968766 /nfs/dbraw/zinc/96/87/66/1087968766.db2.gz ZKBNGZPINABIHQ-SUMWQHHRSA-N 1 0 363.483 4.009 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000504895624 1087969020 /nfs/dbraw/zinc/96/90/20/1087969020.db2.gz VMQBWSGVKCTDJU-DLTWYDFYSA-N 1 0 350.484 4.013 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1nc(C)c(C)s1 ZINC000504905910 1087977336 /nfs/dbraw/zinc/97/73/36/1087977336.db2.gz PLYSVRYZKWEBEV-AWEZNQCLSA-N 1 0 365.524 4.371 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCCOC2CCCCC2)cc1[N+](=O)[O-] ZINC000504905142 1087977346 /nfs/dbraw/zinc/97/73/46/1087977346.db2.gz DBTVKPPKUITDCX-HNNXBMFYSA-N 1 0 350.459 4.384 20 5 FIBDRO Cc1nccn1CCCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180627131 1087991793 /nfs/dbraw/zinc/99/17/93/1087991793.db2.gz QBIDIRQDMDBKBG-OAQYLSRUSA-N 1 0 364.449 4.259 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1sc(C)nc1C ZINC000504929620 1087996502 /nfs/dbraw/zinc/99/65/02/1087996502.db2.gz KFANZZRNGCMREF-CYBMUJFWSA-N 1 0 351.497 4.329 20 5 FIBDRO CC1(C)CC(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC(C)(C)[NH2+]1 ZINC000236739156 1088227106 /nfs/dbraw/zinc/22/71/06/1088227106.db2.gz HBPQBEGYNRLFOJ-UHFFFAOYSA-N 1 0 357.454 4.254 20 5 FIBDRO CCC(CC)(C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000311311189 1088546718 /nfs/dbraw/zinc/54/67/18/1088546718.db2.gz XYEHDUASPAMLSB-UHFFFAOYSA-N 1 0 365.474 4.076 20 5 FIBDRO CC(C)[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1(CO)CCC1 ZINC000430109614 1088998498 /nfs/dbraw/zinc/99/84/98/1088998498.db2.gz ZAMQOSHNNCRXBR-IBGZPJMESA-N 1 0 358.438 4.132 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000415038750 1089074779 /nfs/dbraw/zinc/07/47/79/1089074779.db2.gz QDRLHNSTVHGRIO-KDOFPFPSSA-N 1 0 369.465 4.390 20 5 FIBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1csc2ccccc12 ZINC000514617404 1089271257 /nfs/dbraw/zinc/27/12/57/1089271257.db2.gz ITBJZKZOZOEETL-UHFFFAOYSA-N 1 0 369.446 4.270 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccc(C(F)(F)F)s3)c2c1 ZINC000514689083 1089376151 /nfs/dbraw/zinc/37/61/51/1089376151.db2.gz YGDIXMJKELGODQ-UHFFFAOYSA-N 1 0 369.368 4.489 20 5 FIBDRO Cc1cccc(OCC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000517538645 1089757110 /nfs/dbraw/zinc/75/71/10/1089757110.db2.gz AWFDJQCOURATQV-UHFFFAOYSA-N 1 0 352.390 4.332 20 5 FIBDRO CC[C@H](C)[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000072588512 1090256654 /nfs/dbraw/zinc/25/66/54/1090256654.db2.gz YZYSHLZKDKPFBV-HNNXBMFYSA-N 1 0 366.421 4.446 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCCC3)nc1)CCCC2 ZINC000417307601 1090801267 /nfs/dbraw/zinc/80/12/67/1090801267.db2.gz DRRKRCQRVMUVSH-HXUWFJFHSA-N 1 0 366.465 4.147 20 5 FIBDRO COCCNc1ccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417312824 1090807417 /nfs/dbraw/zinc/80/74/17/1090807417.db2.gz OGBJXXIYIGZDEV-NRFANRHFSA-N 1 0 369.465 4.210 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cn3cc(Cl)ccc3n1)CCCC2 ZINC000417322012 1090814990 /nfs/dbraw/zinc/81/49/90/1090814990.db2.gz MGHQZDZOKQZAIX-SFHVURJKSA-N 1 0 370.840 4.453 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511628223 1090890225 /nfs/dbraw/zinc/89/02/25/1090890225.db2.gz XZGFHJUSPVYLNN-GOSISDBHSA-N 1 0 373.840 4.332 20 5 FIBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1cccc(F)c1 ZINC000500120483 1091052122 /nfs/dbraw/zinc/05/21/22/1091052122.db2.gz XSNWPMSPAQRCGL-VBKZILBWSA-N 1 0 371.412 4.146 20 5 FIBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C2CC2)c1 ZINC000759850412 1091325656 /nfs/dbraw/zinc/32/56/56/1091325656.db2.gz HSTLBJXNMVNTIY-GOSISDBHSA-N 1 0 364.804 4.085 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000566706660 1091374228 /nfs/dbraw/zinc/37/42/28/1091374228.db2.gz FBWUISQMJWNPQI-QMMLZNLJSA-N 1 0 365.477 4.110 20 5 FIBDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001167766317 1091600934 /nfs/dbraw/zinc/60/09/34/1091600934.db2.gz KHLSKZFDWZAHKU-RTBURBONSA-N 1 0 364.486 4.408 20 5 FIBDRO CC(C)(C)C[N@@H+](Cc1ccccc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000728903420 1091850296 /nfs/dbraw/zinc/85/02/96/1091850296.db2.gz YLJFJNMAPGXZGP-UHFFFAOYSA-N 1 0 369.421 4.009 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000500533948 1092199915 /nfs/dbraw/zinc/19/99/15/1092199915.db2.gz NOEPATVVAPSGNX-MNKBLEIRSA-N 1 0 372.852 4.253 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCc2cccc(Cl)c2)c1 ZINC000520955324 1092381235 /nfs/dbraw/zinc/38/12/35/1092381235.db2.gz SGQWCKDQTJAFRX-UHFFFAOYSA-N 1 0 356.756 4.182 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc(Cl)ccc2OC(F)F)cc1 ZINC000520991990 1092404477 /nfs/dbraw/zinc/40/44/77/1092404477.db2.gz PCMHDEZPMMTJRR-UHFFFAOYSA-N 1 0 372.755 4.018 20 5 FIBDRO Cc1ccc(C[NH2+]CCc2ccc(F)c(Br)c2)cc1[N+](=O)[O-] ZINC000520979447 1092408142 /nfs/dbraw/zinc/40/81/42/1092408142.db2.gz BCIHKZZCDIJERE-UHFFFAOYSA-N 1 0 367.218 4.137 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000572629343 1092457696 /nfs/dbraw/zinc/45/76/96/1092457696.db2.gz QEUXXWAUOGBCGN-MRUHUIDDSA-N 1 0 372.465 4.228 20 5 FIBDRO CSc1ccc([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000467440667 1092592366 /nfs/dbraw/zinc/59/23/66/1092592366.db2.gz WFXHOEREEDKGQG-UONOGXRCSA-N 1 0 373.478 4.385 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000512522664 1092631611 /nfs/dbraw/zinc/63/16/11/1092631611.db2.gz XQJHNCKLECWMTF-SOFGYWHQSA-N 1 0 355.413 4.137 20 5 FIBDRO C[C@@H]([NH2+]C1(Cc2ccc(F)cc2)CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000549797514 1092782188 /nfs/dbraw/zinc/78/21/88/1092782188.db2.gz OAOYURUMKBFNON-OAHLLOKOSA-N 1 0 358.413 4.176 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)o2)cc1 ZINC000572807658 1092907769 /nfs/dbraw/zinc/90/77/69/1092907769.db2.gz CIOACHDBUFQVCA-WOJBJXKFSA-N 1 0 368.433 4.388 20 5 FIBDRO COc1ccc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000521803920 1092923750 /nfs/dbraw/zinc/92/37/50/1092923750.db2.gz GWXQTGWLONSTED-UHFFFAOYSA-N 1 0 352.390 4.196 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)cc1 ZINC000521829606 1092932669 /nfs/dbraw/zinc/93/26/69/1092932669.db2.gz NBZPFUASYBSSFB-UHFFFAOYSA-N 1 0 372.428 4.266 20 5 FIBDRO CC(C)CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 ZINC000521818191 1092936853 /nfs/dbraw/zinc/93/68/53/1092936853.db2.gz RZIGLPVQSSWUEL-UHFFFAOYSA-N 1 0 358.442 4.436 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCOc2ccc(Cl)cc2Cl)c1 ZINC000521834150 1092946705 /nfs/dbraw/zinc/94/67/05/1092946705.db2.gz RMPCEHKSARQFNZ-UHFFFAOYSA-N 1 0 355.221 4.460 20 5 FIBDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)CCO2 ZINC000614160949 1093016098 /nfs/dbraw/zinc/01/60/98/1093016098.db2.gz YDHXIAUAQBGRRH-KUHUBIRLSA-N 1 0 356.422 4.476 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@@H]4OCCC[C@H]34)o2)c(Cl)c1 ZINC000190340757 1093065437 /nfs/dbraw/zinc/06/54/37/1093065437.db2.gz OBUOYEMOCMXLGE-KYJSFNMBSA-N 1 0 362.813 4.165 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000433063616 1093173662 /nfs/dbraw/zinc/17/36/62/1093173662.db2.gz YJIMIRVRUPQJPS-SFHVURJKSA-N 1 0 367.449 4.111 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2c[nH]c3ccc(Br)cc23)c1 ZINC000542314870 1093242543 /nfs/dbraw/zinc/24/25/43/1093242543.db2.gz XXXWAMGWLMSKNG-UHFFFAOYSA-N 1 0 374.238 4.171 20 5 FIBDRO CC1(C)C[C@H]([NH2+]Cc2ccc3c(n2)CCCC3)c2cc([N+](=O)[O-])ccc21 ZINC000433099925 1093243407 /nfs/dbraw/zinc/24/34/07/1093243407.db2.gz KTSZMAKLVTZHBS-FQEVSTJZSA-N 1 0 351.450 4.381 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000433102596 1093257076 /nfs/dbraw/zinc/25/70/76/1093257076.db2.gz JEDPPGYITJSCBM-MOPGFXCFSA-N 1 0 367.493 4.422 20 5 FIBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCCO2 ZINC000433129687 1093306897 /nfs/dbraw/zinc/30/68/97/1093306897.db2.gz OQPLOLOXDONILB-FZKQIMNGSA-N 1 0 368.433 4.439 20 5 FIBDRO C[C@@H]1C[C@H](c2ccccc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000439316095 1093328912 /nfs/dbraw/zinc/32/89/12/1093328912.db2.gz JDLMFIYTPAWNAH-GDBMZVCRSA-N 1 0 350.422 4.239 20 5 FIBDRO CC(=O)Nc1ccc(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433160363 1093345032 /nfs/dbraw/zinc/34/50/32/1093345032.db2.gz GYRFNIKZLXIIGI-FQEVSTJZSA-N 1 0 367.449 4.108 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512855989 1093457645 /nfs/dbraw/zinc/45/76/45/1093457645.db2.gz KSJCEWMTDIENLS-KRWDZBQOSA-N 1 0 369.248 4.423 20 5 FIBDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CCO2 ZINC000433235194 1093459952 /nfs/dbraw/zinc/45/99/52/1093459952.db2.gz MRXKFTYKFLOZCR-OALUTQOASA-N 1 0 368.433 4.439 20 5 FIBDRO CC1(C)C[C@H]([NH2+]C[C@@H](CCO)c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433270558 1093513440 /nfs/dbraw/zinc/51/34/40/1093513440.db2.gz LGJXSTYBRRPIDA-UZLBHIALSA-N 1 0 354.450 4.073 20 5 FIBDRO CC(C)c1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000474173360 1093552218 /nfs/dbraw/zinc/55/22/18/1093552218.db2.gz UCGYAXDLNRGLDT-WBVHZDCISA-N 1 0 373.497 4.101 20 5 FIBDRO CC(C)c1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000474173359 1093552508 /nfs/dbraw/zinc/55/25/08/1093552508.db2.gz UCGYAXDLNRGLDT-RDJZCZTQSA-N 1 0 373.497 4.101 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]CCc2c[nH]c3ncccc23)c2cc([N+](=O)[O-])ccc21 ZINC000433305990 1093571465 /nfs/dbraw/zinc/57/14/65/1093571465.db2.gz QSTYFHFKVPFTTM-GOSISDBHSA-N 1 0 350.422 4.026 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000419329987 1093652785 /nfs/dbraw/zinc/65/27/85/1093652785.db2.gz FSLLNZDOVSTJTI-CQSZACIVSA-N 1 0 353.422 4.070 20 5 FIBDRO COc1ccc2nc(C[NH2+]CCCCc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000474366582 1093719968 /nfs/dbraw/zinc/71/99/68/1093719968.db2.gz BIDHFSRRHRDKQL-UHFFFAOYSA-N 1 0 371.462 4.326 20 5 FIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)c2cccnc21 ZINC000382665179 1093734939 /nfs/dbraw/zinc/73/49/39/1093734939.db2.gz YMYDFIAVHWGKNS-UHFFFAOYSA-N 1 0 362.433 4.220 20 5 FIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000397994579 1093799108 /nfs/dbraw/zinc/79/91/08/1093799108.db2.gz RTWHSRYXVYHRIN-HNAYVOBHSA-N 1 0 373.884 4.248 20 5 FIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000397988083 1093805143 /nfs/dbraw/zinc/80/51/43/1093805143.db2.gz PEEVHPFSIHJGLR-HNAYVOBHSA-N 1 0 373.884 4.248 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCSC[C@@H]3C3CCC3)o2)c1 ZINC000419375782 1093813823 /nfs/dbraw/zinc/81/38/23/1093813823.db2.gz RAFDJKKCUKWBBP-QGZVFWFLSA-N 1 0 373.478 4.010 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[N@H+](C)C[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000513472416 1094151681 /nfs/dbraw/zinc/15/16/81/1094151681.db2.gz DYFUIJPSZKYNIN-GOSISDBHSA-N 1 0 369.465 4.221 20 5 FIBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1OC ZINC000513654366 1094255318 /nfs/dbraw/zinc/25/53/18/1094255318.db2.gz IDUWSIMZMDXWIO-DZGCQCFKSA-N 1 0 358.438 4.202 20 5 FIBDRO CC[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513701990 1094387566 /nfs/dbraw/zinc/38/75/66/1094387566.db2.gz CGPDUCPESPWDPF-JXFKEZNVSA-N 1 0 364.449 4.201 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474723244 1094542746 /nfs/dbraw/zinc/54/27/46/1094542746.db2.gz OZWPEGXELMDTQG-DCBWTQNWSA-N 1 0 360.376 4.450 20 5 FIBDRO Cc1cc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc([N+](=O)[O-])c1 ZINC000501236826 1094574200 /nfs/dbraw/zinc/57/42/00/1094574200.db2.gz HFXVDNHRYDMACT-UHFFFAOYSA-N 1 0 367.449 4.184 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnn2-c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000474804557 1094642307 /nfs/dbraw/zinc/64/23/07/1094642307.db2.gz AHCDIZRKXXAIJT-CQSZACIVSA-N 1 0 354.385 4.079 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC(F)(F)C3)o2)c([N+](=O)[O-])c1 ZINC000430040184 1094803649 /nfs/dbraw/zinc/80/36/49/1094803649.db2.gz HKCOOZIWLLWCPL-GFCCVEGCSA-N 1 0 366.364 4.388 20 5 FIBDRO CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000544370681 1095012050 /nfs/dbraw/zinc/01/20/50/1095012050.db2.gz KELOATWCIFAWGY-APPDUMDISA-N 1 0 352.793 4.253 20 5 FIBDRO C[C@@H](C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000237407130 1095172109 /nfs/dbraw/zinc/17/21/09/1095172109.db2.gz ZJIITTYNNQCXPU-AWEZNQCLSA-N 1 0 373.428 4.099 20 5 FIBDRO CC(C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccsc1 ZINC000421009245 1095223303 /nfs/dbraw/zinc/22/33/03/1095223303.db2.gz MXRYKBNAVGGPBM-AWEZNQCLSA-N 1 0 361.467 4.457 20 5 FIBDRO COc1cc(C)c(C[C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000502410252 1095432807 /nfs/dbraw/zinc/43/28/07/1095432807.db2.gz UYOQBMGGJFVTHT-CABCVRRESA-N 1 0 358.438 4.202 20 5 FIBDRO COc1cc(C[NH2+][C@H]2C=CCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237184168 1095454800 /nfs/dbraw/zinc/45/48/00/1095454800.db2.gz WOXPPXVWNWMVKT-SFHVURJKSA-N 1 0 368.433 4.381 20 5 FIBDRO COC[C@H](C)[NH2+]Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000237240062 1095715073 /nfs/dbraw/zinc/71/50/73/1095715073.db2.gz KPWUNHFEICBSDV-NSHDSACASA-N 1 0 368.792 4.304 20 5 FIBDRO Cc1ccc(C(C)(C)C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000444168871 1095798628 /nfs/dbraw/zinc/79/86/28/1095798628.db2.gz PNDDBDQMJJAGQP-UHFFFAOYSA-N 1 0 369.465 4.141 20 5 FIBDRO CCc1ccc([C@H]([NH2+][C@H]2CCO[C@@H](CC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000421850641 1095954878 /nfs/dbraw/zinc/95/48/78/1095954878.db2.gz DSLNOWCJRHEGPL-ZAAXVRCTSA-N 1 0 358.438 4.387 20 5 FIBDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163982483 1096115168 /nfs/dbraw/zinc/11/51/68/1096115168.db2.gz NLJJHTXKFXTTNO-OAHLLOKOSA-N 1 0 364.449 4.307 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000503410041 1096388395 /nfs/dbraw/zinc/38/83/95/1096388395.db2.gz YTIXCMIFVXLTMB-YJYMSZOUSA-N 1 0 373.840 4.020 20 5 FIBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000503523690 1096451153 /nfs/dbraw/zinc/45/11/53/1096451153.db2.gz QZJKSDOTCAKOJS-DOTOQJQBSA-N 1 0 361.467 4.056 20 5 FIBDRO CCS[C@H]1CCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000503523693 1096451470 /nfs/dbraw/zinc/45/14/70/1096451470.db2.gz QZJKSDOTCAKOJS-WBVHZDCISA-N 1 0 361.467 4.056 20 5 FIBDRO O=[N+]([O-])c1cc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000423080576 1096567905 /nfs/dbraw/zinc/56/79/05/1096567905.db2.gz BUKOZSCGSAASLZ-IXDOHACOSA-N 1 0 371.403 4.014 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)cccc1[N+](=O)[O-] ZINC000423432212 1096684354 /nfs/dbraw/zinc/68/43/54/1096684354.db2.gz JEOGMNKJGFXPOI-SUMWQHHRSA-N 1 0 355.438 4.438 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000515410491 1098561638 /nfs/dbraw/zinc/56/16/38/1098561638.db2.gz ITJKPCKMCNYEMN-HNNXBMFYSA-N 1 0 353.422 4.222 20 5 FIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000532904104 1098580785 /nfs/dbraw/zinc/58/07/85/1098580785.db2.gz QCSWVFXNXSMCFX-QGZVFWFLSA-N 1 0 369.446 4.420 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@]3(CCSC3)C1)CCCC2 ZINC000515619457 1098768701 /nfs/dbraw/zinc/76/87/01/1098768701.db2.gz LVIKNKCGWWWEJI-ATZDWAIDSA-N 1 0 362.495 4.007 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C/C=C/c3ccc(F)c(F)c3)c2c1 ZINC000515702081 1098846746 /nfs/dbraw/zinc/84/67/46/1098846746.db2.gz UYZIZEHATBLSKA-OWOJBTEDSA-N 1 0 357.360 4.200 20 5 FIBDRO CC[NH+](CC)[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1ccco1 ZINC000436316562 1098922418 /nfs/dbraw/zinc/92/24/18/1098922418.db2.gz XWXDGPYYHZZJJL-ZDUSSCGKSA-N 1 0 372.347 4.097 20 5 FIBDRO CC[C@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000533301040 1098952844 /nfs/dbraw/zinc/95/28/44/1098952844.db2.gz CMUOVWPALZWMFX-GOSISDBHSA-N 1 0 369.465 4.185 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000533367917 1099000747 /nfs/dbraw/zinc/00/07/47/1099000747.db2.gz AZLFFHJLVBBUMR-OAQYLSRUSA-N 1 0 367.449 4.363 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000533435533 1099056300 /nfs/dbraw/zinc/05/63/00/1099056300.db2.gz IAOYKGHLJPDULI-FUHWJXTLSA-N 1 0 367.449 4.110 20 5 FIBDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000533534484 1099136208 /nfs/dbraw/zinc/13/62/08/1099136208.db2.gz WZNNGDMYWBDEGN-HNNXBMFYSA-N 1 0 355.847 4.042 20 5 FIBDRO CS[C@@H](C)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000533562696 1099174391 /nfs/dbraw/zinc/17/43/91/1099174391.db2.gz XTRNYLZCYTUBFW-LBPRGKRZSA-N 1 0 350.415 4.367 20 5 FIBDRO CC(C)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000505859607 1099202717 /nfs/dbraw/zinc/20/27/17/1099202717.db2.gz ZGIZVQBWSPYGMF-UHFFFAOYSA-N 1 0 353.216 4.458 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000533645137 1099267874 /nfs/dbraw/zinc/26/78/74/1099267874.db2.gz UDIHGDORTYFAAO-LJQANCHMSA-N 1 0 360.841 4.021 20 5 FIBDRO COc1ccc(C[NH2+]CCCO[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000237380576 1099452912 /nfs/dbraw/zinc/45/29/12/1099452912.db2.gz PIGGEYUZZAAORA-HXUWFJFHSA-N 1 0 370.449 4.177 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)C1CC1 ZINC000152499804 1099571411 /nfs/dbraw/zinc/57/14/11/1099571411.db2.gz OIFVLJMNTWTIOL-UWJYYQICSA-N 1 0 365.477 4.032 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]C2CC(F)(F)C2)ccc1Oc1ccc(F)cc1 ZINC000428636590 1099937485 /nfs/dbraw/zinc/93/74/85/1099937485.db2.gz AVUGDMOBLXSILB-UHFFFAOYSA-N 1 0 352.312 4.414 20 5 FIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)CC1(O)CCCC1 ZINC000536668700 1100151618 /nfs/dbraw/zinc/15/16/18/1100151618.db2.gz OBAXERORXYTVAX-UHFFFAOYSA-N 1 0 364.829 4.245 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)s1 ZINC000536692325 1100189528 /nfs/dbraw/zinc/18/95/28/1100189528.db2.gz DMESMSODKKHNIO-HUUCEWRRSA-N 1 0 358.463 4.182 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H]3Cc3ccccc3)o2)c1 ZINC000437830491 1100221218 /nfs/dbraw/zinc/22/12/18/1100221218.db2.gz VZFOFWYZBHGNFH-GOSISDBHSA-N 1 0 363.417 4.109 20 5 FIBDRO C[C@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccsc2S1 ZINC000536872279 1100391462 /nfs/dbraw/zinc/39/14/62/1100391462.db2.gz STHHLITYJJITFJ-NHYWBVRUSA-N 1 0 350.465 4.250 20 5 FIBDRO Cc1c(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000459652489 1100394468 /nfs/dbraw/zinc/39/44/68/1100394468.db2.gz BXVUMPKFLVVZRQ-INIZCTEOSA-N 1 0 372.387 4.084 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C3CC3)cc2F)n1 ZINC000425957367 1100493848 /nfs/dbraw/zinc/49/38/48/1100493848.db2.gz BHHUSOOHWSTZRN-QZTJIDSGSA-N 1 0 358.417 4.081 20 5 FIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(-c4ccccc4)s3)CC2)n1 ZINC000425987160 1100611637 /nfs/dbraw/zinc/61/16/37/1100611637.db2.gz YKEHIGJSWICSKN-UHFFFAOYSA-N 1 0 368.462 4.357 20 5 FIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCSC1 ZINC000506217615 1100629300 /nfs/dbraw/zinc/62/93/00/1100629300.db2.gz JYYIASCKMISXLA-LBPRGKRZSA-N 1 0 352.843 4.446 20 5 FIBDRO COc1ccc(CC[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1O ZINC000426170612 1100938784 /nfs/dbraw/zinc/93/87/84/1100938784.db2.gz PRGMIYFARJNVNB-LSDHHAIUSA-N 1 0 358.438 4.289 20 5 FIBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000518263606 1101048462 /nfs/dbraw/zinc/04/84/62/1101048462.db2.gz YWQMYBDFNYSNFW-HZPDHXFCSA-N 1 0 357.454 4.065 20 5 FIBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@H](c1ccccc1)[NH+](C)C ZINC000439126901 1101181864 /nfs/dbraw/zinc/18/18/64/1101181864.db2.gz GIGHCHYLKKYGGF-JLTOFOAXSA-N 1 0 350.422 4.246 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000518475786 1101235110 /nfs/dbraw/zinc/23/51/10/1101235110.db2.gz GNBZNMCXTHLCIN-MRXNPFEDSA-N 1 0 357.479 4.205 20 5 FIBDRO COc1ccc(OCC[NH2+][C@@H](C)c2cccc(OC(C)C)c2)c([N+](=O)[O-])c1 ZINC000537024422 1101402769 /nfs/dbraw/zinc/40/27/69/1101402769.db2.gz KXSCVUPUBHSASE-HNNXBMFYSA-N 1 0 374.437 4.120 20 5 FIBDRO CCc1ccc(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)cc1[N+](=O)[O-] ZINC000537147908 1101508401 /nfs/dbraw/zinc/50/84/01/1101508401.db2.gz OZMNQNUZEISQNA-UHFFFAOYSA-N 1 0 367.449 4.046 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3ccccc3O)s2)cc1 ZINC000518781868 1101581863 /nfs/dbraw/zinc/58/18/63/1101581863.db2.gz AQIYRWLZCXAVDN-UHFFFAOYSA-N 1 0 354.431 4.361 20 5 FIBDRO FC1(F)C[NH2+]C[C@@H]1Cc1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001211910492 1101647280 /nfs/dbraw/zinc/64/72/80/1101647280.db2.gz DYRSPWCJWWYMNI-AWEZNQCLSA-N 1 0 365.383 4.440 20 5 FIBDRO C[C@@H](CCO)C1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000537343635 1101677428 /nfs/dbraw/zinc/67/74/28/1101677428.db2.gz LQRWUCFTHYJPAU-HNNXBMFYSA-N 1 0 358.438 4.133 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@@H]2c2ncc[nH]2)s1 ZINC000437973024 1101843680 /nfs/dbraw/zinc/84/36/80/1101843680.db2.gz AJUSCYPITUPUNQ-MRXNPFEDSA-N 1 0 354.435 4.384 20 5 FIBDRO Cc1csc([C@@H]2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000163517837 1102183169 /nfs/dbraw/zinc/18/31/69/1102183169.db2.gz ZTACITVZQSPPIQ-GFCCVEGCSA-N 1 0 351.859 4.393 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)CCC2 ZINC000248885453 1102202145 /nfs/dbraw/zinc/20/21/45/1102202145.db2.gz MAWHOCISOKDYJH-KBRIMQKVSA-N 1 0 372.387 4.045 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000237952642 1102291347 /nfs/dbraw/zinc/29/13/47/1102291347.db2.gz RKMDSPKPIZGBNJ-LAEWNIMASA-N 1 0 366.417 4.120 20 5 FIBDRO CC[C@@H](N[C@H](c1nccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000532452189 1102342404 /nfs/dbraw/zinc/34/24/04/1102342404.db2.gz BFACZODNGMQKNN-MOPGFXCFSA-N 1 0 350.422 4.159 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000532451993 1102344921 /nfs/dbraw/zinc/34/49/21/1102344921.db2.gz CLBIYIMFMTUSSP-LAUBAEHRSA-N 1 0 353.466 4.391 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803846 1102379511 /nfs/dbraw/zinc/37/95/11/1102379511.db2.gz YEFFFAABFMWQJX-QGZVFWFLSA-N 1 0 359.451 4.130 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000052803847 1102380160 /nfs/dbraw/zinc/38/01/60/1102380160.db2.gz YEFFFAABFMWQJX-KRWDZBQOSA-N 1 0 359.451 4.130 20 5 FIBDRO C[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]2CCCC[C@@H]12 ZINC000532470973 1102389985 /nfs/dbraw/zinc/38/99/85/1102389985.db2.gz DAJAMLNMTFTHSG-XOKHGSTOSA-N 1 0 356.426 4.045 20 5 FIBDRO COc1cc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000171127957 1102406616 /nfs/dbraw/zinc/40/66/16/1102406616.db2.gz DYXWYWJDNPORCP-NSHDSACASA-N 1 0 352.337 4.056 20 5 FIBDRO Cc1cc(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000473772349 1102720377 /nfs/dbraw/zinc/72/03/77/1102720377.db2.gz JWLVPXWBGCKTMW-UHFFFAOYSA-N 1 0 374.485 4.068 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Cn3cccn3)cc1)CCC2 ZINC000192630707 1102727251 /nfs/dbraw/zinc/72/72/51/1102727251.db2.gz JZQIFENLRBYVRR-OAQYLSRUSA-N 1 0 362.433 4.007 20 5 FIBDRO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000537660104 1102783098 /nfs/dbraw/zinc/78/30/98/1102783098.db2.gz ZDQHOGMJNKSCNM-BTYIYWSLSA-N 1 0 362.433 4.188 20 5 FIBDRO COc1ccc([C@H]([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000184299874 1102805208 /nfs/dbraw/zinc/80/52/08/1102805208.db2.gz DDLBLHRNYZWHFZ-LJQANCHMSA-N 1 0 362.401 4.238 20 5 FIBDRO CCOCC(C)(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000550256804 1102862712 /nfs/dbraw/zinc/86/27/12/1102862712.db2.gz QQXRZCPKHUVPKU-UHFFFAOYSA-N 1 0 352.818 4.413 20 5 FIBDRO COCCC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000282046431 1102879305 /nfs/dbraw/zinc/87/93/05/1102879305.db2.gz VCEXATYTPHEZAS-QGZVFWFLSA-N 1 0 362.401 4.000 20 5 FIBDRO CC[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000551241568 1102998722 /nfs/dbraw/zinc/99/87/22/1102998722.db2.gz SQDPXXCVXZMUGZ-HNNXBMFYSA-N 1 0 353.344 4.292 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000507009859 1103032891 /nfs/dbraw/zinc/03/28/91/1103032891.db2.gz YWOVQLSADLKRFP-IBGZPJMESA-N 1 0 373.428 4.358 20 5 FIBDRO CC(C)[N@H+](Cc1cnc2ccc(Cl)cn12)Cc1ccc([N+](=O)[O-])cc1 ZINC000507123557 1103130511 /nfs/dbraw/zinc/13/05/11/1103130511.db2.gz ZVCKXQAPPDGYOJ-UHFFFAOYSA-N 1 0 358.829 4.307 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000507165382 1103165573 /nfs/dbraw/zinc/16/55/73/1103165573.db2.gz POQZWEVEVKJOKK-KRWDZBQOSA-N 1 0 367.449 4.030 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000532754213 1103184073 /nfs/dbraw/zinc/18/40/73/1103184073.db2.gz SRYGKHYTNHKYRC-FQEVSTJZSA-N 1 0 367.449 4.241 20 5 FIBDRO COc1cc(C)c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1OC ZINC000507169383 1103189522 /nfs/dbraw/zinc/18/95/22/1103189522.db2.gz JGIGTXDEDNHGBY-UHFFFAOYSA-N 1 0 356.422 4.085 20 5 FIBDRO Cc1cccc(C)c1[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000546225084 1103365174 /nfs/dbraw/zinc/36/51/74/1103365174.db2.gz CSUCWINJHOBRKX-ZDUSSCGKSA-N 1 0 361.829 4.154 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000507410974 1103366682 /nfs/dbraw/zinc/36/66/82/1103366682.db2.gz ZTPOGGNOFHTQFD-NSHDSACASA-N 1 0 368.355 4.304 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000507410973 1103366706 /nfs/dbraw/zinc/36/67/06/1103366706.db2.gz ZTPOGGNOFHTQFD-LLVKDONJSA-N 1 0 368.355 4.304 20 5 FIBDRO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000192740436 1103421511 /nfs/dbraw/zinc/42/15/11/1103421511.db2.gz SDZOGGFEBWPORC-BBRMVZONSA-N 1 0 372.421 4.401 20 5 FIBDRO Cc1c(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000519650531 1103765661 /nfs/dbraw/zinc/76/56/61/1103765661.db2.gz JQGDBROQSPVPLL-FQEVSTJZSA-N 1 0 365.477 4.190 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000467411865 1103835566 /nfs/dbraw/zinc/83/55/66/1103835566.db2.gz FTQBXMMACAJYLD-BLLLJJGKSA-N 1 0 366.820 4.032 20 5 FIBDRO COc1ccc(OCC[NH2+][C@@H](C)c2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000538278333 1104097531 /nfs/dbraw/zinc/09/75/31/1104097531.db2.gz SVACCFQIMBAXIO-NSHDSACASA-N 1 0 368.792 4.126 20 5 FIBDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000441312462 1104268874 /nfs/dbraw/zinc/26/88/74/1104268874.db2.gz ZWMMYYNZVOOARB-KRWDZBQOSA-N 1 0 367.808 4.120 20 5 FIBDRO CN(C)[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000184530477 1104700562 /nfs/dbraw/zinc/70/05/62/1104700562.db2.gz NZUNHUZIJSAAHI-CQSZACIVSA-N 1 0 373.400 4.068 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000536329309 1104734331 /nfs/dbraw/zinc/73/43/31/1104734331.db2.gz PPYKUIPEQGQLJW-RXVVDRJESA-N 1 0 367.449 4.020 20 5 FIBDRO C[N@H+](CCCc1ccccc1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000536340916 1104764600 /nfs/dbraw/zinc/76/46/00/1104764600.db2.gz IHWURVZDSIHYEC-UHFFFAOYSA-N 1 0 351.406 4.314 20 5 FIBDRO COc1cc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000441463403 1104795475 /nfs/dbraw/zinc/79/54/75/1104795475.db2.gz FIULONBKFRERPN-YRGRVCCFSA-N 1 0 370.396 4.358 20 5 FIBDRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000237178352 1104966380 /nfs/dbraw/zinc/96/63/80/1104966380.db2.gz KYXNARFLLNPEQW-LBPRGKRZSA-N 1 0 352.481 4.183 20 5 FIBDRO Cc1cc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1F ZINC000451164058 1106955170 /nfs/dbraw/zinc/95/51/70/1106955170.db2.gz RILDMTXPNQIOQM-CQSZACIVSA-N 1 0 359.401 4.030 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000026483406 1107013040 /nfs/dbraw/zinc/01/30/40/1107013040.db2.gz IMZDYVLUCKVQGL-XJKSGUPXSA-N 1 0 359.451 4.129 20 5 FIBDRO CSCC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237508019 1107488578 /nfs/dbraw/zinc/48/85/78/1107488578.db2.gz QAYSURDIHOPMFW-UHFFFAOYSA-N 1 0 352.843 4.493 20 5 FIBDRO C[C@@H](N[C@H](C)c1c(F)cccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000531204876 1107645470 /nfs/dbraw/zinc/64/54/70/1107645470.db2.gz XMBYBWRJXDOXSK-GHMZBOCLSA-N 1 0 365.792 4.065 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CC[C@H]2CCCCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544386487 1107784004 /nfs/dbraw/zinc/78/40/04/1107784004.db2.gz PZQQOFFPPHEPHA-QUCCMNQESA-N 1 0 358.438 4.388 20 5 FIBDRO CCc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000531443417 1107903074 /nfs/dbraw/zinc/90/30/74/1107903074.db2.gz XEIQSTGMJXUURD-CABCVRRESA-N 1 0 355.438 4.143 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)s1 ZINC000531609420 1108007654 /nfs/dbraw/zinc/00/76/54/1108007654.db2.gz JYXDKQNEYQHGFV-LESCRADOSA-N 1 0 358.463 4.371 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2ccco2)ccc1Oc1ccc(F)cc1 ZINC000520211570 1108026016 /nfs/dbraw/zinc/02/60/16/1108026016.db2.gz ZSEZHNQYZOZKRM-UHFFFAOYSA-N 1 0 356.353 4.452 20 5 FIBDRO CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000079304845 1108049127 /nfs/dbraw/zinc/04/91/27/1108049127.db2.gz KOZNQJHMOODAGA-LSDHHAIUSA-N 1 0 371.437 4.060 20 5 FIBDRO COc1ccccc1[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000531677578 1108064401 /nfs/dbraw/zinc/06/44/01/1108064401.db2.gz IIVKAYGCMGUWIG-UZLBHIALSA-N 1 0 369.465 4.091 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)C2CCCCC2)s1 ZINC000520218766 1108064800 /nfs/dbraw/zinc/06/48/00/1108064800.db2.gz VRCZQRWTXCAELN-GOSISDBHSA-N 1 0 360.479 4.354 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCCC[C@@H]3c3ccccc3)nc2c1 ZINC000444688184 1108089887 /nfs/dbraw/zinc/08/98/87/1108089887.db2.gz XVDZFZGSGLCMMW-IAGOWNOFSA-N 1 0 350.422 4.287 20 5 FIBDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237581076 1108333188 /nfs/dbraw/zinc/33/31/88/1108333188.db2.gz QXASUGVQLDATCR-CQSZACIVSA-N 1 0 370.478 4.254 20 5 FIBDRO COc1ccc(OCC[NH2+][C@@H](C)c2ccccc2SC)c([N+](=O)[O-])c1 ZINC000440648657 1108419271 /nfs/dbraw/zinc/41/92/71/1108419271.db2.gz QLANEPZEIRMYAF-ZDUSSCGKSA-N 1 0 362.451 4.055 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)C1CC1 ZINC000453396353 1108528174 /nfs/dbraw/zinc/52/81/74/1108528174.db2.gz UYJDZOOXVUILAE-ZIFCJYIRSA-N 1 0 372.490 4.487 20 5 FIBDRO CC1(C)C[C@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000453573525 1108635683 /nfs/dbraw/zinc/63/56/83/1108635683.db2.gz 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FIBDRO O=C(C[NH2+][C@H]1CCC[C@H]1c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000446003499 1109077719 /nfs/dbraw/zinc/07/77/19/1109077719.db2.gz JXTDIVOBIFUERO-HOTGVXAUSA-N 1 0 373.840 4.113 20 5 FIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNc3ncc([N+](=O)[O-])cc3Cl)cc2)C1 ZINC000524581024 1109085000 /nfs/dbraw/zinc/08/50/00/1109085000.db2.gz BMANDMXKADKYBP-CQSZACIVSA-N 1 0 374.872 4.487 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2(CCO)CCCC2)s1 ZINC000524773153 1109149435 /nfs/dbraw/zinc/14/94/35/1109149435.db2.gz ODAWTUKZMRELFA-UHFFFAOYSA-N 1 0 360.479 4.356 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cccc(OCC(F)(F)F)c2)c(F)c1 ZINC000475641974 1109193511 /nfs/dbraw/zinc/19/35/11/1109193511.db2.gz UMEJVQSPVMJLBX-UHFFFAOYSA-N 1 0 372.318 4.007 20 5 FIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000446491489 1109241886 /nfs/dbraw/zinc/24/18/86/1109241886.db2.gz YRLGCZQMMPWGPG-UHFFFAOYSA-N 1 0 370.453 4.067 20 5 FIBDRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000446500127 1109248612 /nfs/dbraw/zinc/24/86/12/1109248612.db2.gz VQXDGUPGMDWAOG-UHFFFAOYSA-N 1 0 370.453 4.067 20 5 FIBDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1C ZINC000525121584 1109269802 /nfs/dbraw/zinc/26/98/02/1109269802.db2.gz UNOXFXZZUYFOLA-FQEVSTJZSA-N 1 0 368.433 4.415 20 5 FIBDRO CC[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1cccc([N+](=O)[O-])c1 ZINC000152230330 1109345648 /nfs/dbraw/zinc/34/56/48/1109345648.db2.gz FIAUFBFEFOHESU-GFCCVEGCSA-N 1 0 359.373 4.354 20 5 FIBDRO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446853068 1109359588 /nfs/dbraw/zinc/35/95/88/1109359588.db2.gz NRGUEPODYJBPFF-AWEZNQCLSA-N 1 0 352.438 4.317 20 5 FIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000446932090 1109393206 /nfs/dbraw/zinc/39/32/06/1109393206.db2.gz UFNUNJKWTGOAFF-LJQANCHMSA-N 1 0 350.422 4.020 20 5 FIBDRO COc1cc(C[N@@H+]2CCCC(C)(C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000525638556 1109464275 /nfs/dbraw/zinc/46/42/75/1109464275.db2.gz QSNMWBBSZDHTDC-UHFFFAOYSA-N 1 0 358.385 4.217 20 5 FIBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccccc2C)c([N+](=O)[O-])c1 ZINC000441231186 1109483009 /nfs/dbraw/zinc/48/30/09/1109483009.db2.gz KHLQAPYEFOXXRM-GOSISDBHSA-N 1 0 356.422 4.128 20 5 FIBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000447526837 1109562096 /nfs/dbraw/zinc/56/20/96/1109562096.db2.gz DNOGNSFPGAEKJK-AUUYWEPGSA-N 1 0 370.449 4.210 20 5 FIBDRO CN(C)[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC000447513425 1109566179 /nfs/dbraw/zinc/56/61/79/1109566179.db2.gz WAVCHSWXXWKPEE-UXHICEINSA-N 1 0 357.429 4.004 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cc(Cl)c3c(c1)OCCO3)CCC2 ZINC000447541602 1109572522 /nfs/dbraw/zinc/57/25/22/1109572522.db2.gz GVAKFCYSWAUJFU-QGZVFWFLSA-N 1 0 374.824 4.187 20 5 FIBDRO Cc1c2cc(F)ccc2oc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447544746 1109573849 /nfs/dbraw/zinc/57/38/49/1109573849.db2.gz PLAVDXSNAQICHF-JKSUJKDBSA-N 1 0 372.400 4.259 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OC3CCCC3)nc1)CCC2 ZINC000447543562 1109574069 /nfs/dbraw/zinc/57/40/69/1109574069.db2.gz MEBWSOVIYQZHHF-HXUWFJFHSA-N 1 0 367.449 4.478 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCN(c3ccc(F)cc3)C1)CCC2 ZINC000447546843 1109574637 /nfs/dbraw/zinc/57/46/37/1109574637.db2.gz ZHQDGAMAXTUFLT-QVKFZJNVSA-N 1 0 369.440 4.227 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(-c3ccccc3)o2)n1 ZINC000447564577 1109583397 /nfs/dbraw/zinc/58/33/97/1109583397.db2.gz XWRWELNJWJMSQA-MSOLQXFVSA-N 1 0 366.421 4.325 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCc2ccc(Cl)cc2)n1 ZINC000447584105 1109586879 /nfs/dbraw/zinc/58/68/79/1109586879.db2.gz DVCMWPIPOKZKTH-IRXDYDNUSA-N 1 0 362.861 4.151 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000526108017 1109623167 /nfs/dbraw/zinc/62/31/67/1109623167.db2.gz QDPATKZXUFGFFT-ZENOOKHLSA-N 1 0 360.376 4.037 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000526944815 1109646206 /nfs/dbraw/zinc/64/62/06/1109646206.db2.gz FFUJBBZDPFSAQI-CYBMUJFWSA-N 1 0 369.446 4.407 20 5 FIBDRO COc1ccc(C[NH+](C)C)cc1NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000527054676 1109681523 /nfs/dbraw/zinc/68/15/23/1109681523.db2.gz FAPRULPEMPXTCK-XNTDXEJSSA-N 1 0 355.438 4.180 20 5 FIBDRO COc1ccc(C[NH+]2[C@@H](C)C[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000527238485 1109719819 /nfs/dbraw/zinc/71/98/19/1109719819.db2.gz FOSJFZAUTNGYJW-GJZGRUSLSA-N 1 0 356.422 4.165 20 5 FIBDRO COc1cc(C[NH+]2[C@H](C)C[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000527238478 1109719844 /nfs/dbraw/zinc/71/98/44/1109719844.db2.gz DDXZTCJIRDDZNU-HUUCEWRRSA-N 1 0 356.422 4.165 20 5 FIBDRO Cc1nc(-c2ccc(C[NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])o2)cs1 ZINC000449066605 1109971932 /nfs/dbraw/zinc/97/19/32/1109971932.db2.gz DFENXQMOZLQGSM-LBPRGKRZSA-N 1 0 357.435 4.341 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000449118376 1109979851 /nfs/dbraw/zinc/97/98/51/1109979851.db2.gz SFIYMQMZMUCJLD-AWEZNQCLSA-N 1 0 359.495 4.084 20 5 FIBDRO COc1cc(F)c([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000449142385 1109984568 /nfs/dbraw/zinc/98/45/68/1109984568.db2.gz NZTPDMRLMUOAOL-OLZOCXBDSA-N 1 0 362.401 4.033 20 5 FIBDRO C[C@H](c1ccccc1)N1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449149188 1109985881 /nfs/dbraw/zinc/98/58/81/1109985881.db2.gz MLVOXXOWEWFSSN-ZWKOTPCHSA-N 1 0 367.493 4.341 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000449155350 1109987208 /nfs/dbraw/zinc/98/72/08/1109987208.db2.gz BFZLFEZLRWQIDN-WRWLIDTKSA-N 1 0 373.522 4.260 20 5 FIBDRO Cc1ccc(-c2nc(C[NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])co2)cc1 ZINC000449180153 1109993034 /nfs/dbraw/zinc/99/30/34/1109993034.db2.gz YNYAGWILSIIJBM-OAHLLOKOSA-N 1 0 351.406 4.279 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000449207493 1109995358 /nfs/dbraw/zinc/99/53/58/1109995358.db2.gz OGBFNTPONAEEFR-IRXDYDNUSA-N 1 0 364.449 4.121 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000449260466 1110017102 /nfs/dbraw/zinc/01/71/02/1110017102.db2.gz XOUQNGBLAUGRNV-CZUORRHYSA-N 1 0 352.356 4.462 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000449293420 1110025476 /nfs/dbraw/zinc/02/54/76/1110025476.db2.gz VKKCPWZZYYFRJK-VHSXEESVSA-N 1 0 359.373 4.352 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000449293050 1110025993 /nfs/dbraw/zinc/02/59/93/1110025993.db2.gz TUHVMOKOACHVHP-KUHUBIRLSA-N 1 0 355.438 4.023 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000449340517 1110032789 /nfs/dbraw/zinc/03/27/89/1110032789.db2.gz WQEXDRADFQYRMQ-KKSFZXQISA-N 1 0 366.461 4.210 20 5 FIBDRO C[C@H]([NH2+]C1CCN(CCc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000449347911 1110036948 /nfs/dbraw/zinc/03/69/48/1110036948.db2.gz JUPPXEYBMRPENA-INIZCTEOSA-N 1 0 371.456 4.092 20 5 FIBDRO CC(C)(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccn1 ZINC000449398022 1110051325 /nfs/dbraw/zinc/05/13/25/1110051325.db2.gz SLXOXEVHMKNDRY-UHFFFAOYSA-N 1 0 351.406 4.317 20 5 FIBDRO CC(C)(C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccn1 ZINC000449399141 1110057288 /nfs/dbraw/zinc/05/72/88/1110057288.db2.gz XXCABOCLSSWHFS-UHFFFAOYSA-N 1 0 351.406 4.317 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000449476459 1110084390 /nfs/dbraw/zinc/08/43/90/1110084390.db2.gz GJPRXOYWJFABBJ-ZIFCJYIRSA-N 1 0 358.482 4.245 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3C[C@H](C4CC4)[C@H]3C3CC3)cs2)c1 ZINC000449536463 1110103527 /nfs/dbraw/zinc/10/35/27/1110103527.db2.gz IOFDSMRBSCGGIP-QZTJIDSGSA-N 1 0 355.463 4.339 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000449665639 1110140711 /nfs/dbraw/zinc/14/07/11/1110140711.db2.gz FWEIRUYLDUNQGU-QGZVFWFLSA-N 1 0 369.248 4.207 20 5 FIBDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000449670217 1110146648 /nfs/dbraw/zinc/14/66/48/1110146648.db2.gz PHALIMHSGKQENW-ZDUSSCGKSA-N 1 0 356.451 4.391 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000026368177 1110244677 /nfs/dbraw/zinc/24/46/77/1110244677.db2.gz CKVJLECXFNPPEY-STQMWFEESA-N 1 0 361.829 4.234 20 5 FIBDRO C[C@@H](c1ccsc1)[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450447219 1110299594 /nfs/dbraw/zinc/29/95/94/1110299594.db2.gz UKGLZFBLAGTCOK-AWEZNQCLSA-N 1 0 368.462 4.088 20 5 FIBDRO Cc1cc([C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)ccc1F ZINC000538324058 1111090998 /nfs/dbraw/zinc/09/09/98/1111090998.db2.gz YJNZGSYPXQPUEF-HXUWFJFHSA-N 1 0 371.412 4.112 20 5 FIBDRO O=C(C[NH2+][C@H](CC1CCC1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000538691205 1111247638 /nfs/dbraw/zinc/24/76/38/1111247638.db2.gz YWBNGTFNLZIDIE-GOSISDBHSA-N 1 0 353.422 4.054 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@]2(C)CCCOC2)cc1[N+](=O)[O-] ZINC000538969231 1111363611 /nfs/dbraw/zinc/36/36/11/1111363611.db2.gz MDVOBTNNTBZDJZ-FQEVSTJZSA-N 1 0 355.438 4.021 20 5 FIBDRO CSc1cc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000539038481 1111393871 /nfs/dbraw/zinc/39/38/71/1111393871.db2.gz YWKBEPHYLDAVCJ-NVXWUHKLSA-N 1 0 357.479 4.213 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000539052820 1111400711 /nfs/dbraw/zinc/40/07/11/1111400711.db2.gz OERQQVYJPZIDHN-MLGOLLRUSA-N 1 0 368.355 4.306 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]CCOc2ccc(C(F)(F)F)cn2)cccc1[N+](=O)[O-] ZINC000539059642 1111405790 /nfs/dbraw/zinc/40/57/90/1111405790.db2.gz QHXMSFUTSGHLJS-GFCCVEGCSA-N 1 0 369.343 4.047 20 5 FIBDRO COCCCOc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000539046186 1111411604 /nfs/dbraw/zinc/41/16/04/1111411604.db2.gz HYYPIXKFZFTRPX-MRXNPFEDSA-N 1 0 358.438 4.169 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000539085493 1111414185 /nfs/dbraw/zinc/41/41/85/1111414185.db2.gz XCAVNFYXBJHBQX-FZKQIMNGSA-N 1 0 373.840 4.013 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000539260388 1111498768 /nfs/dbraw/zinc/49/87/68/1111498768.db2.gz CKOSOOOOPFKHEZ-MRXNPFEDSA-N 1 0 369.465 4.188 20 5 FIBDRO Cc1cccc([C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000539340013 1111520217 /nfs/dbraw/zinc/52/02/17/1111520217.db2.gz LRSNLEGSWCKGAA-LJQANCHMSA-N 1 0 355.438 4.219 20 5 FIBDRO CC[C@H]([NH2+]C[C@@](C)(Cc1ccccc1)[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000477853717 1111586514 /nfs/dbraw/zinc/58/65/14/1111586514.db2.gz MRWZABRICCNGGT-ORYQWCPZSA-N 1 0 356.466 4.265 20 5 FIBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000478046333 1111663382 /nfs/dbraw/zinc/66/33/82/1111663382.db2.gz MSJTWEBPEYGVMW-HXUWFJFHSA-N 1 0 368.412 4.042 20 5 FIBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000478046787 1111664123 /nfs/dbraw/zinc/66/41/23/1111664123.db2.gz OKWBGFVZSGAFLU-HNNXBMFYSA-N 1 0 368.359 4.037 20 5 FIBDRO CC(C)c1ccc(C[NH2+]Cc2ccc(NC(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000479063387 1111939069 /nfs/dbraw/zinc/93/90/69/1111939069.db2.gz ZCIHRMJLBQRMGI-UHFFFAOYSA-N 1 0 370.453 4.102 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]CC2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000479467628 1112042158 /nfs/dbraw/zinc/04/21/58/1112042158.db2.gz VZZWPZWMTHELBY-QGZVFWFLSA-N 1 0 353.466 4.470 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](C)C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000479585216 1112080328 /nfs/dbraw/zinc/08/03/28/1112080328.db2.gz CSPWGJRYTLLKMV-SNVBAGLBSA-N 1 0 358.316 4.151 20 5 FIBDRO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000479877901 1112174520 /nfs/dbraw/zinc/17/45/20/1112174520.db2.gz ZPBRPRPDHFGCEC-JXFKEZNVSA-N 1 0 369.465 4.091 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)c2ccccc2)c1 ZINC000554139489 1112217056 /nfs/dbraw/zinc/21/70/56/1112217056.db2.gz HIZNFWRLRISZRH-CSODHUTKSA-N 1 0 354.450 4.073 20 5 FIBDRO CC[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000480091042 1112275038 /nfs/dbraw/zinc/27/50/38/1112275038.db2.gz HZEKZDAQPJQSIH-MOPGFXCFSA-N 1 0 357.454 4.456 20 5 FIBDRO C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000480747367 1112576297 /nfs/dbraw/zinc/57/62/97/1112576297.db2.gz SZBVOZSCQNDLBI-KGLIPLIRSA-N 1 0 356.451 4.259 20 5 FIBDRO CN(C(=O)C[NH2+][C@@H](CC1CCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000481249500 1112822209 /nfs/dbraw/zinc/82/22/09/1112822209.db2.gz AMWKIZHWALPQOI-FQEVSTJZSA-N 1 0 367.449 4.079 20 5 FIBDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000159902394 1113264340 /nfs/dbraw/zinc/26/43/40/1113264340.db2.gz YPRBSXDUBQJUIP-OAHLLOKOSA-N 1 0 355.438 4.493 20 5 FIBDRO CC[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160016705 1113283793 /nfs/dbraw/zinc/28/37/93/1113283793.db2.gz GLALSTZKIYRGRH-QGZVFWFLSA-N 1 0 373.419 4.300 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3CCc3ccccc3)nc2c1 ZINC000482684495 1113330832 /nfs/dbraw/zinc/33/08/32/1113330832.db2.gz RXFVFSPKUSKJFI-MRXNPFEDSA-N 1 0 350.422 4.068 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](c3ccc(F)cc3)C3CCC3)nc2c1 ZINC000482696352 1113334065 /nfs/dbraw/zinc/33/40/65/1113334065.db2.gz OJDZKJJMTQOEOA-IBGZPJMESA-N 1 0 354.385 4.241 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c2c(c1)COCO2 ZINC000111306883 1113349574 /nfs/dbraw/zinc/34/95/74/1113349574.db2.gz KNSHXKUFNQWIHP-CQSZACIVSA-N 1 0 374.824 4.104 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000160491263 1113395162 /nfs/dbraw/zinc/39/51/62/1113395162.db2.gz AZAXPCMOJYAVEX-QGZVFWFLSA-N 1 0 368.481 4.385 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(N3CCC(C)CC3)nc2)cccc1[N+](=O)[O-] ZINC000160491541 1113395538 /nfs/dbraw/zinc/39/55/38/1113395538.db2.gz FEAWNGULUQTPCR-QGZVFWFLSA-N 1 0 368.481 4.385 20 5 FIBDRO COc1cccc(N2CCC[C@@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000483168444 1113460024 /nfs/dbraw/zinc/46/00/24/1113460024.db2.gz MJQAVTIBXSLTCX-IAGOWNOFSA-N 1 0 369.465 4.231 20 5 FIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccccc1Cl ZINC000488458152 1113931837 /nfs/dbraw/zinc/93/18/37/1113931837.db2.gz DSVPBXBPLCJOOB-CHWSQXEVSA-N 1 0 361.829 4.316 20 5 FIBDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000489420442 1114105216 /nfs/dbraw/zinc/10/52/16/1114105216.db2.gz GRGNPASRFINXHY-QGZVFWFLSA-N 1 0 368.481 4.289 20 5 FIBDRO CCCN(Cc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1C ZINC000490036129 1114206166 /nfs/dbraw/zinc/20/61/66/1114206166.db2.gz VZDOYGSWHHYXBO-INIZCTEOSA-N 1 0 355.438 4.142 20 5 FIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000586789091 1114393887 /nfs/dbraw/zinc/39/38/87/1114393887.db2.gz MEFDIRPVSWMITR-HLAWJBBLSA-N 1 0 354.450 4.078 20 5 FIBDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000055152010 1114421758 /nfs/dbraw/zinc/42/17/58/1114421758.db2.gz GHKPVCDMBUAPET-CABCVRRESA-N 1 0 371.437 4.060 20 5 FIBDRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000055465837 1114474202 /nfs/dbraw/zinc/47/42/02/1114474202.db2.gz PFNZRSAYZHXTKH-INIZCTEOSA-N 1 0 367.449 4.072 20 5 FIBDRO Cn1cc(C[N@H+](C)C2CCC(F)(F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000571688897 1114491513 /nfs/dbraw/zinc/49/15/13/1114491513.db2.gz OXGSWPQASJAVIL-UHFFFAOYSA-N 1 0 364.396 4.005 20 5 FIBDRO CC[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000164798166 1114585322 /nfs/dbraw/zinc/58/53/22/1114585322.db2.gz TXPAUDPBZPGGBS-QGZVFWFLSA-N 1 0 373.478 4.303 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000156886254 1114631246 /nfs/dbraw/zinc/63/12/46/1114631246.db2.gz OFLDOOVFQHSBDG-LSDHHAIUSA-N 1 0 353.422 4.133 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000590173499 1114907848 /nfs/dbraw/zinc/90/78/48/1114907848.db2.gz WZKBMWAKGRWGGD-CQSZACIVSA-N 1 0 365.355 4.073 20 5 FIBDRO C[N@H+](CCc1cccc(N[C@H]2CCc3c2cccc3[N+](=O)[O-])c1)C1CC1 ZINC000573741117 1115179744 /nfs/dbraw/zinc/17/97/44/1115179744.db2.gz DWZCJOOKXYNWCF-FQEVSTJZSA-N 1 0 351.450 4.331 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000573862625 1115192479 /nfs/dbraw/zinc/19/24/79/1115192479.db2.gz RNWJFVAUZPCMEI-SCLBCKFNSA-N 1 0 366.396 4.258 20 5 FIBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2cccc(C3CC3)c2)c1 ZINC000593032110 1115280968 /nfs/dbraw/zinc/28/09/68/1115280968.db2.gz UDIMIVNBBQHSLT-ZDUSSCGKSA-N 1 0 354.406 4.110 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](c2ccccc2)C2CC2)n1 ZINC000574059879 1115288333 /nfs/dbraw/zinc/28/83/33/1115288333.db2.gz XIJKOYVLZNHJEZ-CEXWTWQISA-N 1 0 354.454 4.058 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000593077908 1115299797 /nfs/dbraw/zinc/29/97/97/1115299797.db2.gz RYLGSFMAVBFVSO-CKEIUWERSA-N 1 0 370.453 4.117 20 5 FIBDRO COCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000167638489 1115309538 /nfs/dbraw/zinc/30/95/38/1115309538.db2.gz LBIYIZPKWAREHE-INIZCTEOSA-N 1 0 358.438 4.088 20 5 FIBDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000158002340 1115429714 /nfs/dbraw/zinc/42/97/14/1115429714.db2.gz DGWMWCBRUPMSSQ-KBPBESRZSA-N 1 0 361.392 4.050 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001168404381 1115434776 /nfs/dbraw/zinc/43/47/76/1115434776.db2.gz SUOHCYMFPYJIHW-BYCMXARLSA-N 1 0 353.260 4.368 20 5 FIBDRO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594495260 1115449876 /nfs/dbraw/zinc/44/98/76/1115449876.db2.gz OYXWTOJGGUANBT-OAHLLOKOSA-N 1 0 350.422 4.248 20 5 FIBDRO Cc1nn(-c2ccccc2F)cc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000594498419 1115450731 /nfs/dbraw/zinc/45/07/31/1115450731.db2.gz PIVZFFVJMMKHQI-CQSZACIVSA-N 1 0 368.412 4.387 20 5 FIBDRO COc1ccc([C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C2CC2)cc1 ZINC000595002959 1115506996 /nfs/dbraw/zinc/50/69/96/1115506996.db2.gz COQFJNDCWIDMOJ-XCLFUZPHSA-N 1 0 356.422 4.414 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCn1c(C)nc2ccccc21 ZINC000595005420 1115507482 /nfs/dbraw/zinc/50/74/82/1115507482.db2.gz YJOJDMYJEADBPU-AWEZNQCLSA-N 1 0 368.437 4.002 20 5 FIBDRO CCC[C@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000595061611 1115508493 /nfs/dbraw/zinc/50/84/93/1115508493.db2.gz SIOXVMKGBMGQBC-AWEZNQCLSA-N 1 0 354.332 4.035 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](c1ccccc1)[C@H](O)C(C)C ZINC000595097122 1115518086 /nfs/dbraw/zinc/51/80/86/1115518086.db2.gz PIACJRGOFXFANL-PNHOKKKMSA-N 1 0 358.438 4.012 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2Sc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000595418115 1115534976 /nfs/dbraw/zinc/53/49/76/1115534976.db2.gz CCSFBGUBSOVQKN-UGSOOPFHSA-N 1 0 371.462 4.057 20 5 FIBDRO O=[N+]([O-])c1ccc(CN2CCC([NH2+]Cc3ccccc3)CC2)c(Cl)c1 ZINC000595509780 1115539588 /nfs/dbraw/zinc/53/95/88/1115539588.db2.gz VIFPZJDZLLFEGR-UHFFFAOYSA-N 1 0 359.857 4.002 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](C4CCCCC4)C3)o2)cc1 ZINC000595734501 1115560402 /nfs/dbraw/zinc/56/04/02/1115560402.db2.gz MVAOBTSONTXFNK-MRXNPFEDSA-N 1 0 356.426 4.047 20 5 FIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000595838769 1115564150 /nfs/dbraw/zinc/56/41/50/1115564150.db2.gz WATDTMOTTAKMJM-XJKSGUPXSA-N 1 0 356.426 4.218 20 5 FIBDRO CC(C)[N@H+](Cc1ccc(O[C@H]2CCOC2)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000596980194 1115631424 /nfs/dbraw/zinc/63/14/24/1115631424.db2.gz VOARRJMKYOTLBB-NRFANRHFSA-N 1 0 370.449 4.173 20 5 FIBDRO COCC1(C2CCC2)C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000597191042 1115645573 /nfs/dbraw/zinc/64/55/73/1115645573.db2.gz JGQFXUXJUJGYSE-UHFFFAOYSA-N 1 0 356.422 4.103 20 5 FIBDRO Cc1cc(N2CCC3(CC2)C(F)(F)C3(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000593496478 1115702460 /nfs/dbraw/zinc/70/24/60/1115702460.db2.gz ZNIGUMFCYUJQCK-UHFFFAOYSA-N 1 0 369.318 4.322 20 5 FIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCCc3cccc(Cl)c3)CC2)n1 ZINC000598613233 1115739799 /nfs/dbraw/zinc/73/97/99/1115739799.db2.gz IQQMXKQIYUQXBY-UHFFFAOYSA-N 1 0 362.861 4.105 20 5 FIBDRO COc1ccc(C[NH2+]Cc2ccco2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061002483 1115747588 /nfs/dbraw/zinc/74/75/88/1115747588.db2.gz CCCWYGAZALENSP-UHFFFAOYSA-N 1 0 368.389 4.065 20 5 FIBDRO C[NH+](C)C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000598998119 1115776180 /nfs/dbraw/zinc/77/61/80/1115776180.db2.gz NQUAIMSVSNLRGY-KRWDZBQOSA-N 1 0 368.264 4.294 20 5 FIBDRO Cc1ccc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000599012559 1115777089 /nfs/dbraw/zinc/77/70/89/1115777089.db2.gz GCTGGSXYLDIGIX-MRXNPFEDSA-N 1 0 369.248 4.423 20 5 FIBDRO CCCC[N@H+](C)CC1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599023292 1115778161 /nfs/dbraw/zinc/77/81/61/1115778161.db2.gz GSWZGAQEIUCWGO-UHFFFAOYSA-N 1 0 356.470 4.091 20 5 FIBDRO COc1ccc([C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C2CC2)cn1 ZINC000599095515 1115788856 /nfs/dbraw/zinc/78/88/56/1115788856.db2.gz GALVYHCPGFRDBG-AZUAARDMSA-N 1 0 367.449 4.462 20 5 FIBDRO C[NH+](C)C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccc(Cl)c(Cl)c1 ZINC000599171676 1115796622 /nfs/dbraw/zinc/79/66/22/1115796622.db2.gz BWNAGXRBCPKJKM-LLVKDONJSA-N 1 0 361.254 4.073 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000593715016 1115801198 /nfs/dbraw/zinc/80/11/98/1115801198.db2.gz FXVVDGUDRUFGFP-HFSMHLIXSA-N 1 0 358.482 4.101 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCO[C@H](c3ccncc3)C1)CCCC2 ZINC000593722345 1115805134 /nfs/dbraw/zinc/80/51/34/1115805134.db2.gz ORVAAMFMSMOAIR-QMMLZNLJSA-N 1 0 367.449 4.267 20 5 FIBDRO COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c(C)c2)[NH+]2CCCC2)c1 ZINC000603838307 1115818392 /nfs/dbraw/zinc/81/83/92/1115818392.db2.gz CNUSVQUOYCETON-HXUWFJFHSA-N 1 0 355.438 4.161 20 5 FIBDRO C[NH+](C)C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000599626361 1115832017 /nfs/dbraw/zinc/83/20/17/1115832017.db2.gz DSSCJJQZFVSLBS-INIZCTEOSA-N 1 0 368.264 4.294 20 5 FIBDRO C[NH+](C)C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000599626362 1115832158 /nfs/dbraw/zinc/83/21/58/1115832158.db2.gz DSSCJJQZFVSLBS-MRXNPFEDSA-N 1 0 368.264 4.294 20 5 FIBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000604012515 1115840859 /nfs/dbraw/zinc/84/08/59/1115840859.db2.gz KZXIZKRWSUCSQK-FQEVSTJZSA-N 1 0 356.422 4.209 20 5 FIBDRO COc1ccc(C[N@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000604521701 1115867329 /nfs/dbraw/zinc/86/73/29/1115867329.db2.gz UJHYDMFCVYLCPC-RXVVDRJESA-N 1 0 370.449 4.203 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000594020134 1115962156 /nfs/dbraw/zinc/96/21/56/1115962156.db2.gz VOULUOXXSVGLOT-HNNXBMFYSA-N 1 0 362.433 4.479 20 5 FIBDRO COc1ccc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000063282507 1116033420 /nfs/dbraw/zinc/03/34/20/1116033420.db2.gz YLTKVZMPJDRKLS-UHFFFAOYSA-N 1 0 373.428 4.067 20 5 FIBDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1C ZINC000063619327 1116088256 /nfs/dbraw/zinc/08/82/56/1116088256.db2.gz UOIOQOCHPLMADW-FQEVSTJZSA-N 1 0 368.433 4.415 20 5 FIBDRO C[C@@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[NH+]1CCCCC1 ZINC000608836096 1116131160 /nfs/dbraw/zinc/13/11/60/1116131160.db2.gz KAAQWGTVKIHCBV-INIZCTEOSA-N 1 0 357.454 4.066 20 5 FIBDRO Cc1cc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000608973167 1116138954 /nfs/dbraw/zinc/13/89/54/1116138954.db2.gz FINVRGMHTWTDSR-UHFFFAOYSA-N 1 0 353.466 4.252 20 5 FIBDRO Cc1ccc([C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000064114140 1116142611 /nfs/dbraw/zinc/14/26/11/1116142611.db2.gz GYZBMDLAZYAKQH-LJQANCHMSA-N 1 0 350.422 4.166 20 5 FIBDRO C[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)no1 ZINC000089600488 1116159413 /nfs/dbraw/zinc/15/94/13/1116159413.db2.gz LDFNFBFXURZTAO-ZIAGYGMSSA-N 1 0 352.394 4.099 20 5 FIBDRO C[C@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000456287240 1116174127 /nfs/dbraw/zinc/17/41/27/1116174127.db2.gz VYPGHSWQDSNPLA-BUXKBTBVSA-N 1 0 371.412 4.025 20 5 FIBDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000534976556 1116257506 /nfs/dbraw/zinc/25/75/06/1116257506.db2.gz NVXZOWRDTHTLAS-GFCCVEGCSA-N 1 0 364.829 4.290 20 5 FIBDRO C[C@H](CCc1ccc(Cl)s1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446848281 1116311146 /nfs/dbraw/zinc/31/11/46/1116311146.db2.gz GLUMYKCRFGSRGM-SNVBAGLBSA-N 1 0 364.858 4.297 20 5 FIBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H](CCO)c1ccccc1 ZINC000539826338 1116386847 /nfs/dbraw/zinc/38/68/47/1116386847.db2.gz OCUJAICQSUXDPC-IBGZPJMESA-N 1 0 366.417 4.410 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000539834442 1116388663 /nfs/dbraw/zinc/38/86/63/1116388663.db2.gz CGNIQVYUEJOFGS-LAUBAEHRSA-N 1 0 352.434 4.242 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccnc4ccccc34)CC2)cc1 ZINC000539835953 1116389025 /nfs/dbraw/zinc/38/90/25/1116389025.db2.gz SFSCTQYWWHWHFU-UHFFFAOYSA-N 1 0 363.417 4.186 20 5 FIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC000462763590 1117754302 /nfs/dbraw/zinc/75/43/02/1117754302.db2.gz DGBQPDYQCRWQMA-UHFFFAOYSA-N 1 0 350.365 4.309 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](OC)c1cccc(Cl)c1 ZINC000462755796 1117756383 /nfs/dbraw/zinc/75/63/83/1117756383.db2.gz LPQJTXDVTGRMJK-GOSISDBHSA-N 1 0 364.829 4.124 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCN(c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000462814900 1117792592 /nfs/dbraw/zinc/79/25/92/1117792592.db2.gz QHYGFIBATUPKNY-JKSUJKDBSA-N 1 0 357.429 4.219 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(c3ccccc3F)C1)CCC2 ZINC000462820327 1117795921 /nfs/dbraw/zinc/79/59/21/1117795921.db2.gz XXWGROILBVJAEX-QRWLVFNGSA-N 1 0 369.440 4.227 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000462823045 1117796816 /nfs/dbraw/zinc/79/68/16/1117796816.db2.gz YBEIXKTXWYQAQG-HZPDHXFCSA-N 1 0 357.429 4.219 20 5 FIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000462844095 1117815630 /nfs/dbraw/zinc/81/56/30/1117815630.db2.gz VWRLFOXRKKRFBM-LBPRGKRZSA-N 1 0 363.364 4.039 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000540147970 1117898931 /nfs/dbraw/zinc/89/89/31/1117898931.db2.gz QXSPJQFHNJQAAL-IRXDYDNUSA-N 1 0 368.481 4.174 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000540152231 1117906313 /nfs/dbraw/zinc/90/63/13/1117906313.db2.gz SGTVJPJVGZBXQS-LRDDRELGSA-N 1 0 368.355 4.306 20 5 FIBDRO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540151633 1117906369 /nfs/dbraw/zinc/90/63/69/1117906369.db2.gz SVKHGJCUPFPBPF-BONVTDFDSA-N 1 0 374.384 4.287 20 5 FIBDRO C[C@@H](NC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000463276236 1118075315 /nfs/dbraw/zinc/07/53/15/1118075315.db2.gz OZPKFBHNKWDDEF-MRXNPFEDSA-N 1 0 371.456 4.092 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463433790 1118153429 /nfs/dbraw/zinc/15/34/29/1118153429.db2.gz YJESBRCOWWQDAB-AVRDEDQJSA-N 1 0 368.477 4.281 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)CC(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000463733030 1118303271 /nfs/dbraw/zinc/30/32/71/1118303271.db2.gz UETZJBNMQYYYEA-SNVBAGLBSA-N 1 0 358.316 4.294 20 5 FIBDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000541070779 1118368355 /nfs/dbraw/zinc/36/83/55/1118368355.db2.gz MZDLHPXAUZWQKH-UHFFFAOYSA-N 1 0 371.437 4.088 20 5 FIBDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000541381998 1118496018 /nfs/dbraw/zinc/49/60/18/1118496018.db2.gz VOQQIFADMNDLRO-MRXNPFEDSA-N 1 0 370.405 4.185 20 5 FIBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cc2ccccc2c2cccnc12 ZINC000464332914 1118530138 /nfs/dbraw/zinc/53/01/38/1118530138.db2.gz IXOGJSHIHIYQRT-IBGZPJMESA-N 1 0 373.500 4.382 20 5 FIBDRO CC(C)C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccs1 ZINC000541626513 1118586951 /nfs/dbraw/zinc/58/69/51/1118586951.db2.gz LFCBVDHLZXHNLP-SJORKVTESA-N 1 0 373.478 4.139 20 5 FIBDRO CC(C)([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cccs1 ZINC000541644530 1118595536 /nfs/dbraw/zinc/59/55/36/1118595536.db2.gz RBNACDOAQSURMZ-UHFFFAOYSA-N 1 0 357.435 4.379 20 5 FIBDRO Cc1cccc([C@H]2CCCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1C ZINC000464771303 1118680958 /nfs/dbraw/zinc/68/09/58/1118680958.db2.gz CZGZJRCPXSUQJK-LJQANCHMSA-N 1 0 367.449 4.038 20 5 FIBDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000542247184 1118866664 /nfs/dbraw/zinc/86/66/64/1118866664.db2.gz PMODCCAOWGTOHB-KSSFIOAISA-N 1 0 356.422 4.195 20 5 FIBDRO CCOc1cc(C[NH+]2CCC(c3ccc(C)nc3)CC2)ccc1[N+](=O)[O-] ZINC000491598368 1118967587 /nfs/dbraw/zinc/96/75/87/1118967587.db2.gz FWTNDAXHQJCVFH-UHFFFAOYSA-N 1 0 355.438 4.077 20 5 FIBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])nc3)cc2)C1 ZINC000549915914 1118974582 /nfs/dbraw/zinc/97/45/82/1118974582.db2.gz NBBLKIVDXZYXTC-HZPDHXFCSA-N 1 0 354.454 4.080 20 5 FIBDRO CC[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000491890274 1118990566 /nfs/dbraw/zinc/99/05/66/1118990566.db2.gz NMNXEASCPHSPFO-ZDUSSCGKSA-N 1 0 358.385 4.012 20 5 FIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000030449827 1118999855 /nfs/dbraw/zinc/99/98/55/1118999855.db2.gz RLCCSDVUOQPFIC-GOSISDBHSA-N 1 0 373.840 4.318 20 5 FIBDRO CCOc1cc(CN2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492466612 1119099039 /nfs/dbraw/zinc/09/90/39/1119099039.db2.gz ZEJBLFXVGNQNNO-XOBRGWDASA-N 1 0 374.412 4.095 20 5 FIBDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000492784367 1119188141 /nfs/dbraw/zinc/18/81/41/1119188141.db2.gz PDHKXCWJOKFNJG-QGZVFWFLSA-N 1 0 358.438 4.489 20 5 FIBDRO CC(C)(C)OC(=O)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493035964 1119257310 /nfs/dbraw/zinc/25/73/10/1119257310.db2.gz OCXPQPJZSICRBX-IBGZPJMESA-N 1 0 356.422 4.006 20 5 FIBDRO CC(C)(C)OC(=O)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493035970 1119257401 /nfs/dbraw/zinc/25/74/01/1119257401.db2.gz OCXPQPJZSICRBX-LJQANCHMSA-N 1 0 356.422 4.006 20 5 FIBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000761512879 1119405654 /nfs/dbraw/zinc/40/56/54/1119405654.db2.gz YWUWQRXCGVMUAN-KBRIMQKVSA-N 1 0 352.862 4.274 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)cc1Cl ZINC000761518109 1119407971 /nfs/dbraw/zinc/40/79/71/1119407971.db2.gz XMOFCVALGHJGRQ-IBGZPJMESA-N 1 0 359.857 4.175 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1Cl ZINC000761520666 1119408607 /nfs/dbraw/zinc/40/86/07/1119408607.db2.gz DEOSFRJPUDOMSV-QZTJIDSGSA-N 1 0 364.804 4.397 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCCNc2ccccn2)c2ccccc2)c1 ZINC000493279333 1119439041 /nfs/dbraw/zinc/43/90/41/1119439041.db2.gz XRSCBVWPUXCADS-OAQYLSRUSA-N 1 0 362.433 4.171 20 5 FIBDRO Cc1c(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000494450271 1119864473 /nfs/dbraw/zinc/86/44/73/1119864473.db2.gz DARRXSRMMQIDHY-AEFFLSMTSA-N 1 0 364.804 4.316 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCC3(CCOCC3)CC2)cc(C(F)(F)F)c1 ZINC000494480086 1119876156 /nfs/dbraw/zinc/87/61/56/1119876156.db2.gz XLUKUGIESRHXIK-UHFFFAOYSA-N 1 0 372.387 4.443 20 5 FIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)c1 ZINC000542493698 1120074600 /nfs/dbraw/zinc/07/46/00/1120074600.db2.gz BLSSJVNCTPOKSL-FQEVSTJZSA-N 1 0 369.371 4.190 20 5 FIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000495030869 1120439391 /nfs/dbraw/zinc/43/93/91/1120439391.db2.gz QSJISWYUNRTWDE-ZIAGYGMSSA-N 1 0 369.412 4.117 20 5 FIBDRO CC1CC[NH+](CCCNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000302977778 1120719756 /nfs/dbraw/zinc/71/97/56/1120719756.db2.gz UMRINJHQSTXPMJ-UHFFFAOYSA-N 1 0 361.489 4.240 20 5 FIBDRO Cc1nc2c(s1)[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000495438695 1120823658 /nfs/dbraw/zinc/82/36/58/1120823658.db2.gz ISWUJTLWCFSMFW-CYBMUJFWSA-N 1 0 351.859 4.223 20 5 FIBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCCSc1ccccc1Cl)CC2 ZINC000495465407 1120841173 /nfs/dbraw/zinc/84/11/73/1120841173.db2.gz NOIYPTXQDWULRG-UHFFFAOYSA-N 1 0 363.870 4.184 20 5 FIBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000915164153 1120849818 /nfs/dbraw/zinc/84/98/18/1120849818.db2.gz HRLPZHKHFAZAFZ-XFXZXTDPSA-N 1 0 365.433 4.233 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)C1CC1 ZINC000090547105 1120906412 /nfs/dbraw/zinc/90/64/12/1120906412.db2.gz OVYNVLXUPVZGAT-IBGZPJMESA-N 1 0 354.454 4.017 20 5 FIBDRO COc1ccc(-c2nc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000609223466 1121013068 /nfs/dbraw/zinc/01/30/68/1121013068.db2.gz UZBHURAUHSIROW-UHFFFAOYSA-N 1 0 369.446 4.059 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+](Cc2cccs2)Cc2cccs2)c1 ZINC000153680882 1121019680 /nfs/dbraw/zinc/01/96/80/1121019680.db2.gz IRNJSRZKGMZWHO-GOSISDBHSA-N 1 0 374.487 4.454 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)cc1[N+](=O)[O-] ZINC000915680591 1121024923 /nfs/dbraw/zinc/02/49/23/1121024923.db2.gz OUEFMAHBSDEQDH-HNNXBMFYSA-N 1 0 370.453 4.284 20 5 FIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)cc1[N+](=O)[O-] ZINC001168563066 1121045527 /nfs/dbraw/zinc/04/55/27/1121045527.db2.gz DALKONJVWQNESS-LLVKDONJSA-N 1 0 354.328 4.495 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090723382 1121254934 /nfs/dbraw/zinc/25/49/34/1121254934.db2.gz RIEIGUNWGGSNNE-MRXNPFEDSA-N 1 0 370.449 4.141 20 5 FIBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000552911422 1121370578 /nfs/dbraw/zinc/37/05/78/1121370578.db2.gz ABKKYXNIQJMENF-OAHLLOKOSA-N 1 0 356.422 4.040 20 5 FIBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)[NH+]2CCCC2)o1 ZINC000301152176 1121517596 /nfs/dbraw/zinc/51/75/96/1121517596.db2.gz PGKSSCHARFEDKJ-GOSISDBHSA-N 1 0 366.421 4.293 20 5 FIBDRO C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000916571931 1121548784 /nfs/dbraw/zinc/54/87/84/1121548784.db2.gz UEPQIIXMBQPZHW-QGZVFWFLSA-N 1 0 373.840 4.196 20 5 FIBDRO C[C@H]([NH2+]Cc1cncc(OCc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000488158330 1121601121 /nfs/dbraw/zinc/60/11/21/1121601121.db2.gz FDULAFYQKRJIGV-INIZCTEOSA-N 1 0 363.417 4.420 20 5 FIBDRO CCC[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)NC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000124790867 1121720987 /nfs/dbraw/zinc/72/09/87/1121720987.db2.gz ZVKAZWLNKXJTNG-SCTDSRPQSA-N 1 0 361.486 4.109 20 5 FIBDRO O=[N+]([O-])c1ccc2nc(NC3CC[NH+](C4CCCCC4)CC3)ccc2c1 ZINC000301460018 1121974431 /nfs/dbraw/zinc/97/44/31/1121974431.db2.gz DJMHJNDTCVPRGM-UHFFFAOYSA-N 1 0 354.454 4.352 20 5 FIBDRO C[C@](O)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1Cl ZINC000765813237 1122103122 /nfs/dbraw/zinc/10/31/22/1122103122.db2.gz ZVAFMHFMBXOVFC-QUCCMNQESA-N 1 0 374.868 4.067 20 5 FIBDRO C[C@@H](N[C@H](C)c1ncc(Br)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000903288553 1122152500 /nfs/dbraw/zinc/15/25/00/1122152500.db2.gz YKDINGRPEXSCCR-NXEZZACHSA-N 1 0 368.206 4.303 20 5 FIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCCC3)CC2)c2ncccc12 ZINC000301470971 1122156426 /nfs/dbraw/zinc/15/64/26/1122156426.db2.gz JKMOHXZMFYOHJE-UHFFFAOYSA-N 1 0 354.454 4.352 20 5 FIBDRO Cc1cc([C@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)ccc1F ZINC000553621347 1122173468 /nfs/dbraw/zinc/17/34/68/1122173468.db2.gz GVNJNWNVUBBAIL-HXUWFJFHSA-N 1 0 371.412 4.030 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c2ncccc12 ZINC000301518694 1122195305 /nfs/dbraw/zinc/19/53/05/1122195305.db2.gz DNVQKLBETCJEKN-QGZVFWFLSA-N 1 0 368.481 4.235 20 5 FIBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301560063 1122220083 /nfs/dbraw/zinc/22/00/83/1122220083.db2.gz UJOJRTFYPFPQCS-JOYOIKCWSA-N 1 0 365.783 4.043 20 5 FIBDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000542709036 1122310891 /nfs/dbraw/zinc/31/08/91/1122310891.db2.gz GECWAOKPVYBTOW-UYAOXDASSA-N 1 0 358.413 4.394 20 5 FIBDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000556959506 1123272819 /nfs/dbraw/zinc/27/28/19/1123272819.db2.gz XCRGGPGNAOJBJF-FQEVSTJZSA-N 1 0 358.438 4.085 20 5 FIBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)C1 ZINC000609441894 1123713833 /nfs/dbraw/zinc/71/38/33/1123713833.db2.gz VFAJAIVNQIBDTL-AWEZNQCLSA-N 1 0 371.412 4.218 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(C)(C)O ZINC000609707811 1123804163 /nfs/dbraw/zinc/80/41/63/1123804163.db2.gz CWRDTWQLRLREMF-LBPRGKRZSA-N 1 0 364.829 4.290 20 5 FIBDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000615842171 1124134668 /nfs/dbraw/zinc/13/46/68/1124134668.db2.gz FEGMVQOEJMOUPX-WQMJKPAKSA-N 1 0 358.360 4.041 20 5 FIBDRO CC(C)[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccnn1C ZINC000615943145 1124171512 /nfs/dbraw/zinc/17/15/12/1124171512.db2.gz GFNOVBDVYAACEJ-GOSISDBHSA-N 1 0 368.437 4.118 20 5 FIBDRO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000615966657 1124189275 /nfs/dbraw/zinc/18/92/75/1124189275.db2.gz GTZVEGFWYHVPFG-YTQUADARSA-N 1 0 370.497 4.069 20 5 FIBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(F)c(Cl)cc1Cl ZINC000765850376 1124204993 /nfs/dbraw/zinc/20/49/93/1124204993.db2.gz XWNRFFHEACJKME-XXFAHNHDSA-N 1 0 373.211 4.425 20 5 FIBDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)cn1 ZINC000153687485 1124242739 /nfs/dbraw/zinc/24/27/39/1124242739.db2.gz OMEMHYHOGIILIS-AWEZNQCLSA-N 1 0 359.426 4.028 20 5 FIBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000553991266 1124255740 /nfs/dbraw/zinc/25/57/40/1124255740.db2.gz GVYASBISHOAKJE-QGZVFWFLSA-N 1 0 359.451 4.068 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)c2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000765879004 1124323499 /nfs/dbraw/zinc/32/34/99/1124323499.db2.gz HUCPIRBRKPCHSM-BTYIYWSLSA-N 1 0 350.418 4.441 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(OCC)c2)cc1[N+](=O)[O-] ZINC000153795474 1124463347 /nfs/dbraw/zinc/46/33/47/1124463347.db2.gz SVAFHWGGECXUBJ-AWEZNQCLSA-N 1 0 374.437 4.252 20 5 FIBDRO c1ccc2c(c1)cc1ccccc1c2C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000181081034 1124529226 /nfs/dbraw/zinc/52/92/26/1124529226.db2.gz ORXPPJIUBMZXGG-LJQANCHMSA-N 1 0 363.457 4.005 20 5 FIBDRO C[NH+](C)[C@H](CNc1ccc(Br)cc1[N+](=O)[O-])c1cccs1 ZINC000069447640 1124884930 /nfs/dbraw/zinc/88/49/30/1124884930.db2.gz MEUPXGLDWMIPSX-CYBMUJFWSA-N 1 0 370.272 4.134 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000542946061 1124946029 /nfs/dbraw/zinc/94/60/29/1124946029.db2.gz CPFASZZGWBOFRK-QWHCGFSZSA-N 1 0 368.359 4.208 20 5 FIBDRO C[N@H+](CCCn1ccnc1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000521318266 1125084509 /nfs/dbraw/zinc/08/45/09/1125084509.db2.gz STSTYOMGDNMHJF-UHFFFAOYSA-N 1 0 356.451 4.042 20 5 FIBDRO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)(C)c1ccccc1 ZINC000181791892 1125134695 /nfs/dbraw/zinc/13/46/95/1125134695.db2.gz XPWGJIURDDHAMD-CQSZACIVSA-N 1 0 366.421 4.101 20 5 FIBDRO CCc1nc(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cs1 ZINC000113333227 1125154767 /nfs/dbraw/zinc/15/47/67/1125154767.db2.gz LURVDZRUGIJINX-UHFFFAOYSA-N 1 0 374.491 4.070 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)cnc1NCc1ccccc1C[NH+]1CCCCC1 ZINC000301744444 1125186736 /nfs/dbraw/zinc/18/67/36/1125186736.db2.gz NEZJLQDUFDJIJA-UHFFFAOYSA-N 1 0 360.845 4.241 20 5 FIBDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000077421056 1125198286 /nfs/dbraw/zinc/19/82/86/1125198286.db2.gz RTRATGUHENWNFE-QWHCGFSZSA-N 1 0 364.829 4.147 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCOc3ccccc32)cc(C(F)(F)F)c1 ZINC000618730002 1125256795 /nfs/dbraw/zinc/25/67/95/1125256795.db2.gz CGPZOLBZMADQSP-CYBMUJFWSA-N 1 0 366.339 4.270 20 5 FIBDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000182155767 1125271549 /nfs/dbraw/zinc/27/15/49/1125271549.db2.gz FQRAJYSATRQKAB-IPMKNSEASA-N 1 0 362.376 4.444 20 5 FIBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618987551 1125412236 /nfs/dbraw/zinc/41/22/36/1125412236.db2.gz BZWKKNWMUXTAHJ-VOBQZIQPSA-N 1 0 354.450 4.071 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000619056284 1125439239 /nfs/dbraw/zinc/43/92/39/1125439239.db2.gz KHNBMJAJDBBLKF-INIZCTEOSA-N 1 0 368.481 4.377 20 5 FIBDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000481666539 568083471 /nfs/dbraw/zinc/08/34/71/568083471.db2.gz IZGSWXRRVCYILE-ZDUSSCGKSA-N 1 0 352.356 4.377 20 5 FIBDRO COc1ccccc1C1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000482117529 568280418 /nfs/dbraw/zinc/28/04/18/568280418.db2.gz BRQMGZFRKOFOFM-IBGZPJMESA-N 1 0 366.461 4.246 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000604434693 568292320 /nfs/dbraw/zinc/29/23/20/568292320.db2.gz NCYKKUVHVLHZDW-FQEVSTJZSA-N 1 0 367.449 4.241 20 5 FIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3CCC(c4ccccc4)CC3)CC2)n1 ZINC000569171705 568299468 /nfs/dbraw/zinc/29/94/68/568299468.db2.gz JSIBWCDCXWGEQY-UHFFFAOYSA-N 1 0 368.481 4.402 20 5 FIBDRO COc1ccc(C2([NH2+]Cc3ccc(OC)c([N+](=O)[O-])c3)CCCC2)cc1 ZINC000072961206 568381471 /nfs/dbraw/zinc/38/14/71/568381471.db2.gz XXEZDXAOHBNHNJ-UHFFFAOYSA-N 1 0 356.422 4.171 20 5 FIBDRO CC(C)(C)C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000570062366 568443129 /nfs/dbraw/zinc/44/31/29/568443129.db2.gz WVUWDOVGPIULCI-ICSRJNTNSA-N 1 0 372.465 4.102 20 5 FIBDRO CCC[NH+]1CCC(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000007365682 568503070 /nfs/dbraw/zinc/50/30/70/568503070.db2.gz OTJNCDPMEXYUJA-UHFFFAOYSA-N 1 0 367.449 4.112 20 5 FIBDRO CC[NH+](CC)C1CCN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC1 ZINC001165054023 722007397 /nfs/dbraw/zinc/00/73/97/722007397.db2.gz GETDKSSOGWLUPC-UHFFFAOYSA-N 1 0 362.861 4.107 20 5 FIBDRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000182720447 1125610135 /nfs/dbraw/zinc/61/01/35/1125610135.db2.gz GKMRWPJAARGDCV-ZBFHGGJFSA-N 1 0 363.458 4.035 20 5 FIBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC(F)(F)CC1 ZINC000558183589 1079664862 /nfs/dbraw/zinc/66/48/62/1079664862.db2.gz PRGMJIQPKRLZRU-UHFFFAOYSA-N 1 0 351.353 4.260 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2ccccn2)ccc1Oc1ccc(F)cc1 ZINC000120180797 1079721601 /nfs/dbraw/zinc/72/16/01/1079721601.db2.gz KLEWJBHUXSHMEC-UHFFFAOYSA-N 1 0 367.380 4.254 20 5 FIBDRO Cc1c(NC(=O)CC[NH+]2CCC(c3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000186946951 1079750029 /nfs/dbraw/zinc/75/00/29/1079750029.db2.gz KLBZMDAUPDNWSE-UHFFFAOYSA-N 1 0 373.478 4.173 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000430210768 1079971601 /nfs/dbraw/zinc/97/16/01/1079971601.db2.gz FMWVZNSOVGZGMA-OAHLLOKOSA-N 1 0 355.438 4.054 20 5 FIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000134464235 1080240313 /nfs/dbraw/zinc/24/03/13/1080240313.db2.gz PRVWHCBVQRLAGJ-LBPRGKRZSA-N 1 0 371.384 4.450 20 5 FIBDRO Cc1cccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000157753387 1080484358 /nfs/dbraw/zinc/48/43/58/1080484358.db2.gz GYJWHDSAFDXXOK-KRWDZBQOSA-N 1 0 373.497 4.020 20 5 FIBDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000468000479 1080734040 /nfs/dbraw/zinc/73/40/40/1080734040.db2.gz OTBYQOONXFAPSA-CYBMUJFWSA-N 1 0 363.255 4.121 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000510182836 1080744097 /nfs/dbraw/zinc/74/40/97/1080744097.db2.gz GLMIOPFBCNLDFO-HYXAFXHYSA-N 1 0 355.413 4.324 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000610271095 1080995936 /nfs/dbraw/zinc/99/59/36/1080995936.db2.gz ZIBXJTYKFOAQPF-QFBILLFUSA-N 1 0 369.465 4.003 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000175754637 1081000651 /nfs/dbraw/zinc/00/06/51/1081000651.db2.gz XTUJJGKFQGDHGX-NSHDSACASA-N 1 0 370.327 4.353 20 5 FIBDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177529375 1081227359 /nfs/dbraw/zinc/22/73/59/1081227359.db2.gz LHXMTJKMHJIUJJ-KSSFIOAISA-N 1 0 364.405 4.023 20 5 FIBDRO Cc1ccc(C[NH2+]C[C@H]2CCCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000379654989 1081842322 /nfs/dbraw/zinc/84/23/22/1081842322.db2.gz KMQQQXRARYQYLD-HXUWFJFHSA-N 1 0 353.466 4.048 20 5 FIBDRO CC[NH+](CC)Cc1ccccc1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000561105978 1081937676 /nfs/dbraw/zinc/93/76/76/1081937676.db2.gz QAUKPJSCBHZMGQ-UHFFFAOYSA-N 1 0 371.466 4.053 20 5 FIBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ncccc12 ZINC000380205114 1082100573 /nfs/dbraw/zinc/10/05/73/1082100573.db2.gz GRVXJIWNJWRBNH-KRWDZBQOSA-N 1 0 362.433 4.077 20 5 FIBDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581198888 1082368436 /nfs/dbraw/zinc/36/84/36/1082368436.db2.gz AIVFIXWEXZONGV-FQEVSTJZSA-N 1 0 362.433 4.174 20 5 FIBDRO CCc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2COC)[NH+](C)C)cc1 ZINC000610211387 1082503195 /nfs/dbraw/zinc/50/31/95/1082503195.db2.gz SWWGRJMJHVPQGD-HXUWFJFHSA-N 1 0 357.454 4.018 20 5 FIBDRO Cn1nccc1C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000119363540 1082614539 /nfs/dbraw/zinc/61/45/39/1082614539.db2.gz DKZQERXNNZMTPY-UHFFFAOYSA-N 1 0 372.812 4.064 20 5 FIBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051131994 1082734510 /nfs/dbraw/zinc/73/45/10/1082734510.db2.gz COUNAAVZKVLLTD-WIYYLYMNSA-N 1 0 370.449 4.073 20 5 FIBDRO C[N@H+](CCCCO)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000471810571 1083027599 /nfs/dbraw/zinc/02/75/99/1083027599.db2.gz OXSLASPJKXNQEK-UHFFFAOYSA-N 1 0 364.829 4.245 20 5 FIBDRO CC(C)([NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000175986697 1083042992 /nfs/dbraw/zinc/04/29/92/1083042992.db2.gz MMTJDJHLQMCEIG-HXUWFJFHSA-N 1 0 370.449 4.178 20 5 FIBDRO CO[C@H]1CC[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000471824857 1083068762 /nfs/dbraw/zinc/06/87/62/1083068762.db2.gz UWPSEWFIHKCOIR-RDJZCZTQSA-N 1 0 360.385 4.183 20 5 FIBDRO CO[C@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000471826999 1083072636 /nfs/dbraw/zinc/07/26/36/1083072636.db2.gz XPDYUVWCPOTHGC-AEFFLSMTSA-N 1 0 355.438 4.020 20 5 FIBDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581843 1083214269 /nfs/dbraw/zinc/21/42/69/1083214269.db2.gz RUNRXQKNFJYRLI-MRXNPFEDSA-N 1 0 351.406 4.252 20 5 FIBDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000510980816 1083556856 /nfs/dbraw/zinc/55/68/56/1083556856.db2.gz QYIQAVGHHNYWDJ-RTBURBONSA-N 1 0 356.397 4.397 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614235772 1083579878 /nfs/dbraw/zinc/57/98/78/1083579878.db2.gz GIHKHDWMDKNBQZ-IAGOWNOFSA-N 1 0 364.449 4.418 20 5 FIBDRO CCC[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610799278 1083708743 /nfs/dbraw/zinc/70/87/43/1083708743.db2.gz MIMNSOBMDJSZLW-SFHVURJKSA-N 1 0 361.486 4.063 20 5 FIBDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610804784 1083711203 /nfs/dbraw/zinc/71/12/03/1083711203.db2.gz GLMZOXUWKDJHOK-GJZGRUSLSA-N 1 0 359.857 4.425 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000610808019 1083718096 /nfs/dbraw/zinc/71/80/96/1083718096.db2.gz PRJKUWMPGDURGZ-SJORKVTESA-N 1 0 357.479 4.147 20 5 FIBDRO C[C@@H](N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000610809705 1083719063 /nfs/dbraw/zinc/71/90/63/1083719063.db2.gz PVVYUSJOUKHGOU-DYESRHJHSA-N 1 0 353.466 4.473 20 5 FIBDRO C[C@H](Cc1cccc(Br)c1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000610811082 1083723540 /nfs/dbraw/zinc/72/35/40/1083723540.db2.gz MPPDWNIDLYKKOO-CYBMUJFWSA-N 1 0 363.255 4.121 20 5 FIBDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610824538 1083743488 /nfs/dbraw/zinc/74/34/88/1083743488.db2.gz IXJVLGRKOPKYIC-MOPGFXCFSA-N 1 0 368.433 4.038 20 5 FIBDRO CC[C@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610821877 1083749335 /nfs/dbraw/zinc/74/93/35/1083749335.db2.gz HIAKMTUZXDDBKP-VQTJNVASSA-N 1 0 350.422 4.274 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000236681341 1083912461 /nfs/dbraw/zinc/91/24/61/1083912461.db2.gz FGQZIBVTXNTKAP-UHFFFAOYSA-N 1 0 361.239 4.393 20 5 FIBDRO CSCc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000512976782 1083916576 /nfs/dbraw/zinc/91/65/76/1083916576.db2.gz ACBOZPSATMVCKU-UHFFFAOYSA-N 1 0 368.405 4.349 20 5 FIBDRO CC(C)c1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000236717838 1083935355 /nfs/dbraw/zinc/93/53/55/1083935355.db2.gz MFJGVDZYDMHNNP-IBGZPJMESA-N 1 0 357.454 4.238 20 5 FIBDRO CC(C)(C)SCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001167499367 1084021459 /nfs/dbraw/zinc/02/14/59/1084021459.db2.gz HKPYDFASUVMPJN-UHFFFAOYSA-N 1 0 352.500 4.360 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCO[C@@H]3C3CC3)o2)c(Cl)c1 ZINC000538421625 1084085141 /nfs/dbraw/zinc/08/51/41/1084085141.db2.gz PLBHWGCROPECOJ-FUHWJXTLSA-N 1 0 362.813 4.165 20 5 FIBDRO CSc1cccc(-c2nc(-c3ccc(C[NH+](C)C)cc3)no2)c1[N+](=O)[O-] ZINC000548598170 1084250762 /nfs/dbraw/zinc/25/07/62/1084250762.db2.gz XYDLQXTYWXIGQI-UHFFFAOYSA-N 1 0 370.434 4.095 20 5 FIBDRO CC[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000188608805 1084268723 /nfs/dbraw/zinc/26/87/23/1084268723.db2.gz NPUJRXWFQFKEPY-BPUTZDHNSA-N 1 0 360.376 4.119 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]CCSC(C)C)o2)c([N+](=O)[O-])c1 ZINC000579970323 1084309124 /nfs/dbraw/zinc/30/91/24/1084309124.db2.gz NHJBTNOTDXHUFP-UHFFFAOYSA-N 1 0 350.440 4.095 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]CCc2nc(-c3ccncc3)cs2)cccc1[N+](=O)[O-] ZINC000539075155 1084309506 /nfs/dbraw/zinc/30/95/06/1084309506.db2.gz XVWMKTSRXFBOHD-CQSZACIVSA-N 1 0 368.462 4.315 20 5 FIBDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc(OC)c1OC ZINC000157441562 1084383006 /nfs/dbraw/zinc/38/30/06/1084383006.db2.gz WWSRSCXMBKGBRR-KBPBESRZSA-N 1 0 374.437 4.341 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cc(F)cc(Br)c1 ZINC000580659087 1084447289 /nfs/dbraw/zinc/44/72/89/1084447289.db2.gz QHHBMYHWOSXCSQ-OAHLLOKOSA-N 1 0 365.202 4.274 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cc(F)cc(Br)c1 ZINC000580659084 1084447528 /nfs/dbraw/zinc/44/75/28/1084447528.db2.gz QHHBMYHWOSXCSQ-HNNXBMFYSA-N 1 0 365.202 4.274 20 5 FIBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C12CCCCC2 ZINC001167539406 1084494540 /nfs/dbraw/zinc/49/45/40/1084494540.db2.gz MQIIWLUUIIIFGX-MSOLQXFVSA-N 1 0 350.434 4.294 20 5 FIBDRO CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000539377060 1084547105 /nfs/dbraw/zinc/54/71/05/1084547105.db2.gz PRLHGKYTPZZQEB-HZPDHXFCSA-N 1 0 361.486 4.124 20 5 FIBDRO COc1ccc([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1F ZINC000582086262 1084595747 /nfs/dbraw/zinc/59/57/47/1084595747.db2.gz OTINOJULXPIQOA-LBPRGKRZSA-N 1 0 357.385 4.117 20 5 FIBDRO [NH3+]CCN(Cc1cnc(C2CCCCC2)s1)c1ccccc1[N+](=O)[O-] ZINC000582268583 1084676629 /nfs/dbraw/zinc/67/66/29/1084676629.db2.gz VFTXWZWKELRXMM-UHFFFAOYSA-N 1 0 360.483 4.064 20 5 FIBDRO CSc1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccn1 ZINC000540066951 1084714385 /nfs/dbraw/zinc/71/43/85/1084714385.db2.gz PEPYIKYJVAWULM-UHFFFAOYSA-N 1 0 355.419 4.262 20 5 FIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000582256036 1084801856 /nfs/dbraw/zinc/80/18/56/1084801856.db2.gz YNGTXGDTGJSIEC-JJXUHFIVSA-N 1 0 367.449 4.095 20 5 FIBDRO Cc1ccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c(C[NH+](C)C)c1 ZINC000187728100 1084820578 /nfs/dbraw/zinc/82/05/78/1084820578.db2.gz MVDAPHCASWHVIO-UHFFFAOYSA-N 1 0 355.438 4.341 20 5 FIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000548722709 1084848719 /nfs/dbraw/zinc/84/87/19/1084848719.db2.gz ZYYMNOCLHVVQNM-FQEVSTJZSA-N 1 0 369.371 4.190 20 5 FIBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)c2C1 ZINC000582337795 1084885341 /nfs/dbraw/zinc/88/53/41/1084885341.db2.gz GCNWGXUBFHHDFX-HNNXBMFYSA-N 1 0 367.449 4.309 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccccc1-n1ccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000127592395 1084958057 /nfs/dbraw/zinc/95/80/57/1084958057.db2.gz PXPRHDIPXBDUCS-IBGZPJMESA-N 1 0 350.422 4.330 20 5 FIBDRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000478501275 1084959165 /nfs/dbraw/zinc/95/91/65/1084959165.db2.gz XPMWWOWXAWMAFH-KRWDZBQOSA-N 1 0 358.438 4.031 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000186063896 1085020698 /nfs/dbraw/zinc/02/06/98/1085020698.db2.gz HGUCXZRHRDOGGV-MRXNPFEDSA-N 1 0 362.433 4.163 20 5 FIBDRO COc1cc(CN2CCC(c3ccsc3)CC2)c([N+](=O)[O-])cc1OC ZINC000188693865 1085059473 /nfs/dbraw/zinc/05/94/73/1085059473.db2.gz CDTIREMOJFHHOB-UHFFFAOYSA-N 1 0 362.451 4.053 20 5 FIBDRO Cc1ccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1[N+](=O)[O-] ZINC000127816030 1085114066 /nfs/dbraw/zinc/11/40/66/1085114066.db2.gz KHEPOCTVIYYOGE-INIZCTEOSA-N 1 0 351.406 4.424 20 5 FIBDRO CCC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC000158612542 1085228472 /nfs/dbraw/zinc/22/84/72/1085228472.db2.gz MCJJECKHVYMEDN-KRWDZBQOSA-N 1 0 374.437 4.252 20 5 FIBDRO C[C@H]1c2ccccc2CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000106862135 1085234040 /nfs/dbraw/zinc/23/40/40/1085234040.db2.gz MRCPVMBJDNRVHL-HNNXBMFYSA-N 1 0 363.417 4.412 20 5 FIBDRO COc1ccc([C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000480082302 1085414525 /nfs/dbraw/zinc/41/45/25/1085414525.db2.gz KWJKRMHCELDAKH-IIBYNOLFSA-N 1 0 369.465 4.091 20 5 FIBDRO CCOc1cc2c(cc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 ZINC000178640091 1085421011 /nfs/dbraw/zinc/42/10/11/1085421011.db2.gz JBPIFUZIKALMBS-ZIAGYGMSSA-N 1 0 356.422 4.168 20 5 FIBDRO CCCCc1oc2ccccc2c1C[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000611563998 1085492861 /nfs/dbraw/zinc/49/28/61/1085492861.db2.gz HUMVQBITZYWYNW-UHFFFAOYSA-N 1 0 370.453 4.321 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178645366 1085554562 /nfs/dbraw/zinc/55/45/62/1085554562.db2.gz QBVDWKOFMTVAMY-KBPBESRZSA-N 1 0 368.437 4.291 20 5 FIBDRO CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178650737 1085578218 /nfs/dbraw/zinc/57/82/18/1085578218.db2.gz HUFQXWSUCWEARQ-HNNXBMFYSA-N 1 0 355.438 4.430 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccccc1F)C1CC1 ZINC000109092983 1085584607 /nfs/dbraw/zinc/58/46/07/1085584607.db2.gz MUPNSZGDPBRYRA-UHFFFAOYSA-N 1 0 371.412 4.036 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000109102147 1085588763 /nfs/dbraw/zinc/58/87/63/1085588763.db2.gz AYCFWRSDLRWNMZ-AWEZNQCLSA-N 1 0 359.401 4.064 20 5 FIBDRO CO[C@@H]1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000611984139 1085722408 /nfs/dbraw/zinc/72/24/08/1085722408.db2.gz KNZJRJLEYJEPSG-LJQANCHMSA-N 1 0 369.465 4.364 20 5 FIBDRO Cc1cc(F)cc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1[N+](=O)[O-] ZINC000176744578 1085767596 /nfs/dbraw/zinc/76/75/96/1085767596.db2.gz ZIOFIZNJELWQJE-UHFFFAOYSA-N 1 0 371.412 4.281 20 5 FIBDRO CSc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178686570 1085810997 /nfs/dbraw/zinc/81/09/97/1085810997.db2.gz BJBVDLIRJZPNQO-KBPBESRZSA-N 1 0 373.478 4.303 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC([C@H]3CCOC3)CC2)o1 ZINC000612402257 1085850411 /nfs/dbraw/zinc/85/04/11/1085850411.db2.gz ZLLLVRHYRNLKGK-INIZCTEOSA-N 1 0 356.422 4.103 20 5 FIBDRO CC(C)[C@@H](O)CC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000236774679 1086014327 /nfs/dbraw/zinc/01/43/27/1086014327.db2.gz FMBBDLICWLONLI-SFHVURJKSA-N 1 0 362.401 4.023 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCc3c2cccc3O)o1 ZINC000105486611 1086560117 /nfs/dbraw/zinc/56/01/17/1086560117.db2.gz SAIPULXPNADYRV-KRWDZBQOSA-N 1 0 350.374 4.338 20 5 FIBDRO O=[N+]([O-])c1cccc2c(NCc3ccccc3C[NH+]3CCCC3)ccnc21 ZINC000432343257 1086637125 /nfs/dbraw/zinc/63/71/25/1086637125.db2.gz TUWBRWFYTFDNTG-UHFFFAOYSA-N 1 0 362.433 4.351 20 5 FIBDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000106468191 1086647522 /nfs/dbraw/zinc/64/75/22/1086647522.db2.gz SMRADKOODVSZEQ-LLVKDONJSA-N 1 0 354.328 4.473 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(NC(N)=O)cc1 ZINC000279122898 1086815296 /nfs/dbraw/zinc/81/52/96/1086815296.db2.gz QFXURQGPNXSPPZ-KPZWWZAWSA-N 1 0 368.437 4.159 20 5 FIBDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000583895526 1087017371 /nfs/dbraw/zinc/01/73/71/1087017371.db2.gz OSOKZEKNSCWNGF-GJZGRUSLSA-N 1 0 367.449 4.409 20 5 FIBDRO COc1ccc2c(c1F)CC[C@H]2[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000584136596 1087187509 /nfs/dbraw/zinc/18/75/09/1087187509.db2.gz HQYFUCWJQDDNOC-QGZVFWFLSA-N 1 0 369.396 4.043 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000584146842 1087191010 /nfs/dbraw/zinc/19/10/10/1087191010.db2.gz VCKGLOPUSQGNRC-JKSUJKDBSA-N 1 0 357.429 4.219 20 5 FIBDRO C[C@@H]([NH2+]C1(CNc2cccc(F)c2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000080982858 1087291255 /nfs/dbraw/zinc/29/12/55/1087291255.db2.gz NCIOZYAZFYFXDJ-OAHLLOKOSA-N 1 0 373.428 4.046 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cnn(Cc2ccccc2)c1 ZINC000090853603 1087415495 /nfs/dbraw/zinc/41/54/95/1087415495.db2.gz XZDPYDKEMFUVOO-HOTGVXAUSA-N 1 0 350.422 4.251 20 5 FIBDRO Cc1c(C[NH2+]Cc2ccccc2OCc2ccncc2)cccc1[N+](=O)[O-] ZINC000480480519 1087514434 /nfs/dbraw/zinc/51/44/34/1087514434.db2.gz SVEJPJCMACHPKB-UHFFFAOYSA-N 1 0 363.417 4.167 20 5 FIBDRO COc1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)ccn1 ZINC000102421179 1087698390 /nfs/dbraw/zinc/69/83/90/1087698390.db2.gz WAFAXQPUYRVAEV-UHFFFAOYSA-N 1 0 355.419 4.017 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000424203499 1087844034 /nfs/dbraw/zinc/84/40/34/1087844034.db2.gz KWRAKLJLCDGYKJ-BCDXTJNWSA-N 1 0 368.433 4.071 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000504895626 1087968760 /nfs/dbraw/zinc/96/87/60/1087968760.db2.gz VMQBWSGVKCTDJU-KCYZZUKISA-N 1 0 350.484 4.013 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC)C1CCOCC1 ZINC000504919604 1087971178 /nfs/dbraw/zinc/97/11/78/1087971178.db2.gz LRVBNDNVPXTPFE-HOTGVXAUSA-N 1 0 352.500 4.260 20 5 FIBDRO CCc1noc(CC)c1C[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000504899611 1087971813 /nfs/dbraw/zinc/97/18/13/1087971813.db2.gz JJDUGKPESUZAPA-ZDUSSCGKSA-N 1 0 363.483 4.368 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(CC)CCOCC1 ZINC000504920321 1087973127 /nfs/dbraw/zinc/97/31/27/1087973127.db2.gz NKVMHJFUEFBDPU-HNNXBMFYSA-N 1 0 352.500 4.262 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000504921931 1087975039 /nfs/dbraw/zinc/97/50/39/1087975039.db2.gz WKQUSXYKJXEQBY-GOEBONIOSA-N 1 0 360.479 4.392 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000504905443 1087975807 /nfs/dbraw/zinc/97/58/07/1087975807.db2.gz IOTPRHRENDJINJ-LBPRGKRZSA-N 1 0 350.365 4.165 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000504917208 1087984501 /nfs/dbraw/zinc/98/45/01/1087984501.db2.gz BKVWSRUOKXGPJR-GOEBONIOSA-N 1 0 356.422 4.210 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000504925486 1087993889 /nfs/dbraw/zinc/99/38/89/1087993889.db2.gz CKOPZOTVXYCOJI-INIZCTEOSA-N 1 0 373.478 4.214 20 5 FIBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000541007206 1088205789 /nfs/dbraw/zinc/20/57/89/1088205789.db2.gz REVAIYSJRSZSMM-YOEHRIQHSA-N 1 0 360.483 4.163 20 5 FIBDRO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000236587883 1088322705 /nfs/dbraw/zinc/32/27/05/1088322705.db2.gz IDVFFAQAUHNMBU-UHFFFAOYSA-N 1 0 355.503 4.296 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1F ZINC000181349612 1088332623 /nfs/dbraw/zinc/33/26/23/1088332623.db2.gz XKRORSVDDHPZLJ-CQSZACIVSA-N 1 0 359.401 4.030 20 5 FIBDRO CC[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000513821123 1088418200 /nfs/dbraw/zinc/41/82/00/1088418200.db2.gz CHRKIHIFXUAZCU-WDSOQIARSA-N 1 0 370.497 4.397 20 5 FIBDRO CC[NH+](CC)Cc1ccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000513835260 1088439035 /nfs/dbraw/zinc/43/90/35/1088439035.db2.gz JWKOEDAVJMEQBW-UHFFFAOYSA-N 1 0 369.465 4.102 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000311254156 1088442760 /nfs/dbraw/zinc/44/27/60/1088442760.db2.gz LMVNHFUBBYDEKT-IMJJTQAJSA-N 1 0 363.458 4.081 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@H]3CCO)o2)c(Cl)c1 ZINC000189951388 1088704391 /nfs/dbraw/zinc/70/43/91/1088704391.db2.gz JSFRGJJNYNSAHI-SJCJKPOMSA-N 1 0 364.829 4.149 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000514092671 1088740598 /nfs/dbraw/zinc/74/05/98/1088740598.db2.gz GCSNKFHXDCFUCH-IXIUHKBRSA-N 1 0 368.481 4.366 20 5 FIBDRO CC(C)[C@@H]1[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000430088007 1088964012 /nfs/dbraw/zinc/96/40/12/1088964012.db2.gz USXROFSEKPUXJC-IBGZPJMESA-N 1 0 354.454 4.006 20 5 FIBDRO CC(C)[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1(CO)CCC1 ZINC000430090015 1088967282 /nfs/dbraw/zinc/96/72/82/1088967282.db2.gz MEPJFDKVRNYJBA-IBGZPJMESA-N 1 0 358.438 4.132 20 5 FIBDRO Cc1nccn1CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000509977533 1088968237 /nfs/dbraw/zinc/96/82/37/1088968237.db2.gz OJCYVKURYDUNMY-UHFFFAOYSA-N 1 0 356.451 4.008 20 5 FIBDRO Cc1ccc([C@]2(C)CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cc1 ZINC000434752025 1089022384 /nfs/dbraw/zinc/02/23/84/1089022384.db2.gz KMKZNRHIFMDGDM-HXUWFJFHSA-N 1 0 351.406 4.208 20 5 FIBDRO Cc1ccc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000434751049 1089029598 /nfs/dbraw/zinc/02/95/98/1089029598.db2.gz BGNXUBDOPQKKBX-MRXNPFEDSA-N 1 0 355.438 4.152 20 5 FIBDRO Cc1ccc(CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(C)C)s1 ZINC000434828744 1089056698 /nfs/dbraw/zinc/05/66/98/1089056698.db2.gz NZERRBFNIOUWEX-UHFFFAOYSA-N 1 0 361.467 4.122 20 5 FIBDRO COc1ccc(C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C2CC2)cc1 ZINC000505552900 1089081648 /nfs/dbraw/zinc/08/16/48/1089081648.db2.gz GBGWNBLJVNYIDV-HNNXBMFYSA-N 1 0 370.449 4.413 20 5 FIBDRO COCC[N@H+](C)CC[C@H](Nc1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 ZINC000505559822 1089109108 /nfs/dbraw/zinc/10/91/08/1089109108.db2.gz NKRLOUNMXQJYKS-IBGZPJMESA-N 1 0 357.454 4.025 20 5 FIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000549174335 1089129627 /nfs/dbraw/zinc/12/96/27/1089129627.db2.gz XHMWBJMMGOFVBI-UHFFFAOYSA-N 1 0 355.369 4.063 20 5 FIBDRO C[N@H+](CCCCCO)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000435044330 1089251262 /nfs/dbraw/zinc/25/12/62/1089251262.db2.gz FMEPEEVDHSTUGY-UHFFFAOYSA-N 1 0 362.401 4.121 20 5 FIBDRO COc1cccc(NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000549282273 1089546418 /nfs/dbraw/zinc/54/64/18/1089546418.db2.gz HEUWOASHOYTIRZ-INIZCTEOSA-N 1 0 361.467 4.040 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425369752 1089611804 /nfs/dbraw/zinc/61/18/04/1089611804.db2.gz HUSIXFFYJMKZGG-VMTBQTDASA-N 1 0 356.466 4.279 20 5 FIBDRO C[C@@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000412232281 1089759038 /nfs/dbraw/zinc/75/90/38/1089759038.db2.gz MIDOMRRWDODTCQ-MRXNPFEDSA-N 1 0 367.449 4.072 20 5 FIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 ZINC000101593646 1089806522 /nfs/dbraw/zinc/80/65/22/1089806522.db2.gz LLNNPRXBIAVIBI-INIZCTEOSA-N 1 0 363.417 4.420 20 5 FIBDRO COc1cccc(C2(C[NH2+]Cc3ccc(OC)c([N+](=O)[O-])c3)CCCC2)c1 ZINC000517560953 1089807869 /nfs/dbraw/zinc/80/78/69/1089807869.db2.gz APDFOYMIFDNTRC-UHFFFAOYSA-N 1 0 370.449 4.214 20 5 FIBDRO CCOc1ccc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)cc1OC ZINC000468632297 1089937421 /nfs/dbraw/zinc/93/74/21/1089937421.db2.gz SMQZUSBRJDORAB-GDNBJRDFSA-N 1 0 356.422 4.195 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000435776651 1089941475 /nfs/dbraw/zinc/94/14/75/1089941475.db2.gz FNDISQNHARTDKK-UHFFFAOYSA-N 1 0 362.433 4.090 20 5 FIBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(F)cc1F ZINC000181578892 1090174223 /nfs/dbraw/zinc/17/42/23/1090174223.db2.gz AVHRFOKIMNYYDJ-GFCCVEGCSA-N 1 0 373.359 4.421 20 5 FIBDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000541203964 1090229756 /nfs/dbraw/zinc/22/97/56/1090229756.db2.gz NHMFWWNPWGDSDL-OLZOCXBDSA-N 1 0 364.829 4.290 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]CC[C@@H]3CCO[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000541371767 1090316994 /nfs/dbraw/zinc/31/69/94/1090316994.db2.gz SELUICKDIXYMSM-HUUCEWRRSA-N 1 0 374.437 4.158 20 5 FIBDRO CC[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181593647 1090373920 /nfs/dbraw/zinc/37/39/20/1090373920.db2.gz ZMSHITSMWHHGKY-IIBYNOLFSA-N 1 0 368.481 4.256 20 5 FIBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)ccc1C[NH+](C)C ZINC000412415220 1090493036 /nfs/dbraw/zinc/49/30/36/1090493036.db2.gz IVEMHMCLZSSKHL-UHFFFAOYSA-N 1 0 371.437 4.004 20 5 FIBDRO CCC[C@H]([NH2+][C@H](CCO)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120270875 1090670242 /nfs/dbraw/zinc/67/02/42/1090670242.db2.gz VQYMNWFRXPQDOV-VQTJNVASSA-N 1 0 358.438 4.158 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](CCCO)c1ccccc1)CCCC2 ZINC000417316560 1090797289 /nfs/dbraw/zinc/79/72/89/1090797289.db2.gz UKXPTRKXMUCDEE-LEWJYISDSA-N 1 0 354.450 4.466 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccc([S@](C)=O)cc1 ZINC000417308608 1090800048 /nfs/dbraw/zinc/80/00/48/1090800048.db2.gz HTJAPJARMAYCLD-DUGSBNIKSA-N 1 0 372.490 4.451 20 5 FIBDRO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000566473841 1090859657 /nfs/dbraw/zinc/85/96/57/1090859657.db2.gz DRYMTPCPZFTWIA-SJORKVTESA-N 1 0 354.406 4.094 20 5 FIBDRO CC[N@H+](C)CCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236870458 1090942432 /nfs/dbraw/zinc/94/24/32/1090942432.db2.gz VFQUMLWECCALAQ-UHFFFAOYSA-N 1 0 363.845 4.082 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000162637341 1091179379 /nfs/dbraw/zinc/17/93/79/1091179379.db2.gz VCOOOVAZAOMWNH-OAHLLOKOSA-N 1 0 355.438 4.470 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000053644339 1091282039 /nfs/dbraw/zinc/28/20/39/1091282039.db2.gz ZCTKSVWRECDQSV-LJQANCHMSA-N 1 0 373.428 4.358 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCCC34CCOCC4)o2)c1 ZINC000500418426 1091477236 /nfs/dbraw/zinc/47/72/36/1091477236.db2.gz AXTQECATUFKKQU-LJQANCHMSA-N 1 0 356.422 4.294 20 5 FIBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000110930742 1091720241 /nfs/dbraw/zinc/72/02/41/1091720241.db2.gz KYWCCWZYPKXTCL-UHFFFAOYSA-N 1 0 360.845 4.028 20 5 FIBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000178564358 1091994714 /nfs/dbraw/zinc/99/47/14/1091994714.db2.gz HXMZAGPUIWJCNL-QFYYESIMSA-N 1 0 355.221 4.286 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3OC(F)F)o2)cc1 ZINC000500499654 1092150323 /nfs/dbraw/zinc/15/03/23/1092150323.db2.gz QRJGGXIJFKYCMC-GDBMZVCRSA-N 1 0 352.337 4.105 20 5 FIBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000432792601 1092382596 /nfs/dbraw/zinc/38/25/96/1092382596.db2.gz LMVLNLHUSWMQAB-OAHLLOKOSA-N 1 0 359.495 4.239 20 5 FIBDRO CC[C@](C)(CO)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236915788 1092926399 /nfs/dbraw/zinc/92/63/99/1092926399.db2.gz GKSUKTGLHAOSIT-GOSISDBHSA-N 1 0 364.829 4.291 20 5 FIBDRO COc1cc(C[NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)c([N+](=O)[O-])cc1O ZINC000521828681 1092931526 /nfs/dbraw/zinc/93/15/26/1092931526.db2.gz QTWGJDUJDWQOLG-UHFFFAOYSA-N 1 0 369.421 4.005 20 5 FIBDRO CO[C@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000443075201 1092935355 /nfs/dbraw/zinc/93/53/55/1092935355.db2.gz ZEEULPWEPKMUPR-LPHOPBHVSA-N 1 0 369.465 4.362 20 5 FIBDRO CC(C)[C@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)[NH+]1CCCC1 ZINC000521819679 1092936776 /nfs/dbraw/zinc/93/67/76/1092936776.db2.gz VKUPUAZCYOMFAH-IBGZPJMESA-N 1 0 357.454 4.065 20 5 FIBDRO Cc1ccc(C[NH2+]CCOc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000521841562 1092948830 /nfs/dbraw/zinc/94/88/30/1092948830.db2.gz RORGOVXEQJLQPJ-UHFFFAOYSA-N 1 0 354.328 4.091 20 5 FIBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@@H](c1ccccc1)[NH+](C)C ZINC000439126903 1092979789 /nfs/dbraw/zinc/97/97/89/1092979789.db2.gz GIGHCHYLKKYGGF-VLIAUNLRSA-N 1 0 350.422 4.246 20 5 FIBDRO Cc1n[nH]cc1CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000261703169 1093056688 /nfs/dbraw/zinc/05/66/88/1093056688.db2.gz UHOXFVMNATVICH-UHFFFAOYSA-N 1 0 374.828 4.262 20 5 FIBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000433013124 1093090242 /nfs/dbraw/zinc/09/02/42/1093090242.db2.gz NGVLEQXBNJXTKT-MELADBBJSA-N 1 0 374.462 4.316 20 5 FIBDRO COc1cc(C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])ccc1SC ZINC000512706028 1093176088 /nfs/dbraw/zinc/17/60/88/1093176088.db2.gz UGNRKXCMPHVAMX-SOFGYWHQSA-N 1 0 358.463 4.471 20 5 FIBDRO CCN(CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CCC(F)(F)F ZINC000433077546 1093198032 /nfs/dbraw/zinc/19/80/32/1093198032.db2.gz RXNYIAPYSVLUMZ-INIZCTEOSA-N 1 0 373.419 4.181 20 5 FIBDRO C[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[N@@H+]1CCCC[C@@H]1C ZINC000522196447 1093200514 /nfs/dbraw/zinc/20/05/14/1093200514.db2.gz ZUDNFUTVYPFUEH-LSDHHAIUSA-N 1 0 374.510 4.071 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CC2(CO)CC(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000433091552 1093226972 /nfs/dbraw/zinc/22/69/72/1093226972.db2.gz OHYGRRTYIBCCRJ-YLZJTPGZSA-N 1 0 354.450 4.110 20 5 FIBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000542314562 1093242484 /nfs/dbraw/zinc/24/24/84/1093242484.db2.gz LTNNOUXCUUXJQZ-DJJJIMSYSA-N 1 0 360.385 4.183 20 5 FIBDRO CCCOc1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000433122257 1093273925 /nfs/dbraw/zinc/27/39/25/1093273925.db2.gz VIJCOOFDWALJKJ-GOSISDBHSA-N 1 0 355.438 4.291 20 5 FIBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433134776 1093317927 /nfs/dbraw/zinc/31/79/27/1093317927.db2.gz LUXWDRDUZITOHA-FQEVSTJZSA-N 1 0 362.433 4.293 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(OCC3CC3)nc2)c2cc([N+](=O)[O-])ccc21 ZINC000433162843 1093352707 /nfs/dbraw/zinc/35/27/07/1093352707.db2.gz NEABCHASKLENOU-LJQANCHMSA-N 1 0 367.449 4.291 20 5 FIBDRO C[NH+](C)[C@@H]1CCOc2c(NC/C=C/c3ccccc3[N+](=O)[O-])cccc21 ZINC000433190424 1093392119 /nfs/dbraw/zinc/39/21/19/1093392119.db2.gz PXDNLKUNAZYGPZ-ZLQZBKBYSA-N 1 0 353.422 4.105 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]CCC[C@@H](C)O)cc2[N+](=O)[O-])cc1 ZINC000433203993 1093411793 /nfs/dbraw/zinc/41/17/93/1093411793.db2.gz ZSRSDOWBQDHVHI-OAHLLOKOSA-N 1 0 360.479 4.305 20 5 FIBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000512873719 1093491937 /nfs/dbraw/zinc/49/19/37/1093491937.db2.gz DVRUXBRMSIEVLH-MLGOLLRUSA-N 1 0 362.426 4.367 20 5 FIBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000512879593 1093497921 /nfs/dbraw/zinc/49/79/21/1093497921.db2.gz GTNXKBQPRMVRQM-BONVTDFDSA-N 1 0 352.843 4.349 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](CCO)c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433270557 1093513240 /nfs/dbraw/zinc/51/32/40/1093513240.db2.gz LGJXSTYBRRPIDA-OXQOHEQNSA-N 1 0 354.450 4.073 20 5 FIBDRO CC1(C)C[C@H]([NH2+][C@@H](CCCO)c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433277854 1093520258 /nfs/dbraw/zinc/52/02/58/1093520258.db2.gz BJMQIHGSDPAPEY-PMACEKPBSA-N 1 0 354.450 4.421 20 5 FIBDRO Cc1noc(C2CCC([NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000433282448 1093524864 /nfs/dbraw/zinc/52/48/64/1093524864.db2.gz AVRYDHUYMPOPBX-WTNGLUPJSA-N 1 0 370.453 4.325 20 5 FIBDRO COC[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000433287313 1093545104 /nfs/dbraw/zinc/54/51/04/1093545104.db2.gz PAEBJTDFBVNGEL-RBUKOAKNSA-N 1 0 358.413 4.434 20 5 FIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000006052205 1093586170 /nfs/dbraw/zinc/58/61/70/1093586170.db2.gz QQTZSXVLGPMWMU-SFHVURJKSA-N 1 0 373.840 4.460 20 5 FIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000513055847 1093705571 /nfs/dbraw/zinc/70/55/71/1093705571.db2.gz FFMYUZWHGICKFO-CDHQVMDDSA-N 1 0 358.413 4.175 20 5 FIBDRO CC[C@@](C)(CO)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237058916 1093791996 /nfs/dbraw/zinc/79/19/96/1093791996.db2.gz GKSUKTGLHAOSIT-SFHVURJKSA-N 1 0 364.829 4.291 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000397994578 1093799807 /nfs/dbraw/zinc/79/98/07/1093799807.db2.gz RTWHSRYXVYHRIN-DNVCBOLYSA-N 1 0 373.884 4.248 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000398026244 1093809137 /nfs/dbraw/zinc/80/91/37/1093809137.db2.gz CHTUPVPDYBMGJV-LLGFUMIMSA-N 1 0 353.466 4.156 20 5 FIBDRO Cc1cc2cc(C[NH2+]Cc3cc([N+](=O)[O-])ccc3OC(F)F)ccc2[nH]1 ZINC000513100535 1093846181 /nfs/dbraw/zinc/84/61/81/1093846181.db2.gz KSXUQLBFRYLJLX-UHFFFAOYSA-N 1 0 361.348 4.276 20 5 FIBDRO CCOc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc(Cl)c1O ZINC000513115209 1093855549 /nfs/dbraw/zinc/85/55/49/1093855549.db2.gz NHFWIQZZSYNVSN-NSHDSACASA-N 1 0 350.802 4.203 20 5 FIBDRO CC1CC[NH+](C[C@@H]2CCCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)CC1 ZINC000473511820 1093899309 /nfs/dbraw/zinc/89/93/09/1093899309.db2.gz YNCHAAIFSDPNHE-KRWDZBQOSA-N 1 0 368.481 4.091 20 5 FIBDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000513256248 1094039444 /nfs/dbraw/zinc/03/94/44/1094039444.db2.gz KQNPVTOAACKDIR-KSSFIOAISA-N 1 0 364.405 4.228 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182786953 1094167264 /nfs/dbraw/zinc/16/72/64/1094167264.db2.gz WGIXLUHDQFTEAU-GFCCVEGCSA-N 1 0 366.364 4.098 20 5 FIBDRO CC(C)C1CCC([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000513672872 1094267592 /nfs/dbraw/zinc/26/75/92/1094267592.db2.gz NHTYGEYHTBBXSB-KVWWFHCMSA-N 1 0 356.470 4.222 20 5 FIBDRO Cc1cc(NCc2ccc3c(c2)C[NH2+]C3)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420232819 1094827063 /nfs/dbraw/zinc/82/70/63/1094827063.db2.gz DLQRCGPZCMJISL-UHFFFAOYSA-N 1 0 351.328 4.137 20 5 FIBDRO C[NH+](C)[C@@H]1CCOc2c(Nc3nccc4ccc([N+](=O)[O-])cc43)cccc21 ZINC000413267229 1094835709 /nfs/dbraw/zinc/83/57/09/1094835709.db2.gz MXYXNXBCTFHYSI-GOSISDBHSA-N 1 0 364.405 4.272 20 5 FIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](c2ccc(F)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000502487081 1095497625 /nfs/dbraw/zinc/49/76/25/1095497625.db2.gz SWBFBDJLIDHUJT-KUHUBIRLSA-N 1 0 373.428 4.356 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000502583003 1095612869 /nfs/dbraw/zinc/61/28/69/1095612869.db2.gz VQJHAKOPFNFTOE-HXUWFJFHSA-N 1 0 373.428 4.358 20 5 FIBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000444239936 1095895819 /nfs/dbraw/zinc/89/58/19/1095895819.db2.gz CUTLIIQQFIWKEG-RKVPGOIHSA-N 1 0 355.438 4.445 20 5 FIBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502890695 1095924518 /nfs/dbraw/zinc/92/45/18/1095924518.db2.gz CIXVOEUBPPYCIA-MRXNPFEDSA-N 1 0 355.438 4.224 20 5 FIBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503437663 1096402170 /nfs/dbraw/zinc/40/21/70/1096402170.db2.gz FOINJGUOMDBYGI-AWEZNQCLSA-N 1 0 374.872 4.161 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000503926696 1096589676 /nfs/dbraw/zinc/58/96/76/1096589676.db2.gz GTJXFOTULPHPSA-SJLPKXTDSA-N 1 0 369.465 4.267 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503927304 1096591079 /nfs/dbraw/zinc/59/10/79/1096591079.db2.gz IPKNFJMOQADNQE-OUCADQQQSA-N 1 0 360.426 4.215 20 5 FIBDRO CC[C@H](C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000504230908 1096713804 /nfs/dbraw/zinc/71/38/04/1096713804.db2.gz WQVGQMKAYIUTHO-INIZCTEOSA-N 1 0 355.438 4.224 20 5 FIBDRO COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000515502180 1098634905 /nfs/dbraw/zinc/63/49/05/1098634905.db2.gz WEPIMSCXQMVCQV-IBGZPJMESA-N 1 0 355.438 4.243 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000533054414 1098721164 /nfs/dbraw/zinc/72/11/64/1098721164.db2.gz CKOIEUIAOIRKEA-OAQYLSRUSA-N 1 0 367.449 4.363 20 5 FIBDRO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000515717240 1098869257 /nfs/dbraw/zinc/86/92/57/1098869257.db2.gz HGBCLLSSYJVBIM-ARFHVFGLSA-N 1 0 369.465 4.074 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccccc1F)C(C)C ZINC000533250713 1098911805 /nfs/dbraw/zinc/91/18/05/1098911805.db2.gz JPMHQXMVCMVAJS-UHFFFAOYSA-N 1 0 373.428 4.282 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000533435036 1099053737 /nfs/dbraw/zinc/05/37/37/1099053737.db2.gz HYLFWBLEDRUPIH-QILLFSRXSA-N 1 0 367.449 4.108 20 5 FIBDRO O=C(CC[NH2+][C@@H](c1ccccc1)C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533513665 1099119962 /nfs/dbraw/zinc/11/99/62/1099119962.db2.gz NSDFWXWHNNCDBV-FQEVSTJZSA-N 1 0 353.422 4.054 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCc3c[nH]c4ncccc34)o2)c1 ZINC000533562359 1099174684 /nfs/dbraw/zinc/17/46/84/1099174684.db2.gz KKSIESXVNPQPLS-UHFFFAOYSA-N 1 0 362.389 4.063 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COc2ccccc21 ZINC000516340176 1099385139 /nfs/dbraw/zinc/38/51/39/1099385139.db2.gz LNEZBDHOWPOZTP-GJZGRUSLSA-N 1 0 358.463 4.231 20 5 FIBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1[C@H]1CCCO1 ZINC000516357245 1099407755 /nfs/dbraw/zinc/40/77/55/1099407755.db2.gz TZNNOCNOJBFYSX-MOPGFXCFSA-N 1 0 356.422 4.244 20 5 FIBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000536667726 1100125602 /nfs/dbraw/zinc/12/56/02/1100125602.db2.gz OJWHBZHYXGCNNB-QWHCGFSZSA-N 1 0 364.829 4.244 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000536850174 1100364085 /nfs/dbraw/zinc/36/40/85/1100364085.db2.gz FDDZIHWCDXBICM-LSDHHAIUSA-N 1 0 350.484 4.157 20 5 FIBDRO CC(C)CCOc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000425964568 1100538097 /nfs/dbraw/zinc/53/80/97/1100538097.db2.gz GSXLOMSQRVOGSW-UHFFFAOYSA-N 1 0 372.469 4.053 20 5 FIBDRO COc1ccc(C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1OC(F)F ZINC000506202279 1100580666 /nfs/dbraw/zinc/58/06/66/1100580666.db2.gz GSKWJKMPVTVSTR-UHFFFAOYSA-N 1 0 366.364 4.145 20 5 FIBDRO C[NH+](C)C1(CNC(=O)c2cc3ccccc3c3cccnc23)CCCCC1 ZINC000517999865 1100857136 /nfs/dbraw/zinc/85/71/36/1100857136.db2.gz IYXQNTWBWCNTCB-UHFFFAOYSA-N 1 0 361.489 4.382 20 5 FIBDRO CC[C@H](CSC)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000518011824 1100862668 /nfs/dbraw/zinc/86/26/68/1100862668.db2.gz VMCXFCSZGUKSQG-CQSZACIVSA-N 1 0 351.497 4.292 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000426320683 1101250138 /nfs/dbraw/zinc/25/01/38/1101250138.db2.gz YLZHZWDSFLZSRR-ZBFHGGJFSA-N 1 0 373.428 4.062 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000439312462 1101325640 /nfs/dbraw/zinc/32/56/40/1101325640.db2.gz FDJUYLGLSILTPI-WMZOPIPTSA-N 1 0 367.449 4.110 20 5 FIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)C(C)(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000537052682 1101429359 /nfs/dbraw/zinc/42/93/59/1101429359.db2.gz OQQTZPOBKVSGRH-HZPDHXFCSA-N 1 0 369.465 4.186 20 5 FIBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000537069606 1101437259 /nfs/dbraw/zinc/43/72/59/1101437259.db2.gz YRGYDMPUEDTYAC-CQSZACIVSA-N 1 0 370.384 4.074 20 5 FIBDRO CC(C)c1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000428532971 1101535077 /nfs/dbraw/zinc/53/50/77/1101535077.db2.gz HXEFIWYFSIKVNC-PZJWPPBQSA-N 1 0 372.440 4.113 20 5 FIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCC(C)CC1 ZINC000518786215 1101566954 /nfs/dbraw/zinc/56/69/54/1101566954.db2.gz VJBRBCBGCGFBRQ-INIZCTEOSA-N 1 0 357.454 4.065 20 5 FIBDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)c2C1 ZINC000518789787 1101572390 /nfs/dbraw/zinc/57/23/90/1101572390.db2.gz CJNLISDELVZPCC-UHFFFAOYSA-N 1 0 371.412 4.348 20 5 FIBDRO CC[NH+](CC)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccccc1 ZINC000518809548 1101603093 /nfs/dbraw/zinc/60/30/93/1101603093.db2.gz ZOVVGPYIOQWXTB-OAHLLOKOSA-N 1 0 371.466 4.095 20 5 FIBDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537310104 1101640222 /nfs/dbraw/zinc/64/02/22/1101640222.db2.gz DTZGDPSTIFAUFM-MRXNPFEDSA-N 1 0 352.818 4.005 20 5 FIBDRO CC[NH+]1CCN(c2ccccc2N[C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000537445475 1101790256 /nfs/dbraw/zinc/79/02/56/1101790256.db2.gz QROXYQWNSMONRV-KRWDZBQOSA-N 1 0 368.481 4.218 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000439889996 1101858534 /nfs/dbraw/zinc/85/85/34/1101858534.db2.gz YQVNKSOXPWIQRN-CQSZACIVSA-N 1 0 371.412 4.146 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnc(-c3ccncc3)s2)cc1[N+](=O)[O-] ZINC000440322762 1102207328 /nfs/dbraw/zinc/20/73/28/1102207328.db2.gz BSFLYUSDSWOTBG-ZDUSSCGKSA-N 1 0 354.435 4.273 20 5 FIBDRO CN(Cc1cc[nH]n1)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000537630747 1102254941 /nfs/dbraw/zinc/25/49/41/1102254941.db2.gz VBBSCBNRHGVKGU-UHFFFAOYSA-N 1 0 372.812 4.396 20 5 FIBDRO CC[C@@H](N[C@@H](c1nccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000532452192 1102342588 /nfs/dbraw/zinc/34/25/88/1102342588.db2.gz BFACZODNGMQKNN-RTBURBONSA-N 1 0 350.422 4.159 20 5 FIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000532485019 1102426309 /nfs/dbraw/zinc/42/63/09/1102426309.db2.gz FPGNMOVMZCOYLU-ZDUSSCGKSA-N 1 0 368.355 4.429 20 5 FIBDRO COC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000532487812 1102428488 /nfs/dbraw/zinc/42/84/88/1102428488.db2.gz NRUVVTZJCZJLPO-QGZVFWFLSA-N 1 0 368.355 4.133 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCOC1 ZINC000546691453 1102448298 /nfs/dbraw/zinc/44/82/98/1102448298.db2.gz AWGCBLBHAGWOAB-NEPJUHHUSA-N 1 0 350.802 4.023 20 5 FIBDRO Cc1ccc([C@@H]2CCCCCN2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000532570720 1102493242 /nfs/dbraw/zinc/49/32/42/1102493242.db2.gz CCKALSRZPAMOSJ-SFHVURJKSA-N 1 0 371.437 4.076 20 5 FIBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCOC(C)(C)C1 ZINC000550105053 1102493859 /nfs/dbraw/zinc/49/38/59/1102493859.db2.gz GMNDLDFNIVIYJG-AWEZNQCLSA-N 1 0 360.376 4.393 20 5 FIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000550847326 1102543281 /nfs/dbraw/zinc/54/32/81/1102543281.db2.gz LHOSVLKNIQVIRW-FOIQADDNSA-N 1 0 367.449 4.095 20 5 FIBDRO COc1ccc([C@@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cc1NC(C)=O ZINC000897466429 1102572099 /nfs/dbraw/zinc/57/20/99/1102572099.db2.gz UJMZZZHBZZYAMO-UONOGXRCSA-N 1 0 371.437 4.016 20 5 FIBDRO Cc1ccc([C@H](C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)N2CCCC2)cc1 ZINC001648985528 1102576217 /nfs/dbraw/zinc/57/62/17/1102576217.db2.gz HEJHYZNHMGPGLG-QFIPXVFZSA-N 1 0 367.493 4.447 20 5 FIBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000537647005 1102639857 /nfs/dbraw/zinc/63/98/57/1102639857.db2.gz FWNZGJKNGCABNZ-KRWDZBQOSA-N 1 0 369.465 4.019 20 5 FIBDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192614885 1102698720 /nfs/dbraw/zinc/69/87/20/1102698720.db2.gz HRHPTNKWKJCHQQ-YJYMSZOUSA-N 1 0 356.422 4.340 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000537660106 1102784688 /nfs/dbraw/zinc/78/46/88/1102784688.db2.gz ZDQHOGMJNKSCNM-VFNWGFHPSA-N 1 0 362.433 4.188 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccc(Cn3ccnc3)c1)CCC2 ZINC000192653371 1102806159 /nfs/dbraw/zinc/80/61/59/1102806159.db2.gz USAVDMBOGMMFIR-OAQYLSRUSA-N 1 0 362.433 4.007 20 5 FIBDRO CO[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 ZINC000550275665 1102914223 /nfs/dbraw/zinc/91/42/23/1102914223.db2.gz BRCUEFRWUGFEBI-QGZVFWFLSA-N 1 0 350.802 4.023 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000507008738 1103029963 /nfs/dbraw/zinc/02/99/63/1103029963.db2.gz SGDVAVKVJXLUST-IBGZPJMESA-N 1 0 373.428 4.358 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000729682047 1103036826 /nfs/dbraw/zinc/03/68/26/1103036826.db2.gz IMNHJKPRGMJWLB-UHFFFAOYSA-N 1 0 367.361 4.095 20 5 FIBDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000507160824 1103160197 /nfs/dbraw/zinc/16/01/97/1103160197.db2.gz NMBRUEPRQLEUPK-GOSISDBHSA-N 1 0 356.422 4.121 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C2CC2)cc1 ZINC000507170136 1103186938 /nfs/dbraw/zinc/18/69/38/1103186938.db2.gz ZIPVDIFAZNFHGZ-UHFFFAOYSA-N 1 0 366.396 4.289 20 5 FIBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000551423572 1103207428 /nfs/dbraw/zinc/20/74/28/1103207428.db2.gz MCKLWONZWYRPDG-CVEARBPZSA-N 1 0 362.861 4.188 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)CCC2 ZINC000192772379 1103541086 /nfs/dbraw/zinc/54/10/86/1103541086.db2.gz MJUFKAMVIJJDHR-HKBOAZHASA-N 1 0 352.434 4.482 20 5 FIBDRO COc1ccc(OCC[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000441338162 1104282238 /nfs/dbraw/zinc/28/22/38/1104282238.db2.gz SHXVDYDTCUTSQQ-KBXCAEBGSA-N 1 0 374.412 4.204 20 5 FIBDRO COc1ccc(OCC[N@@H+](Cc2ccc(F)cc2)CC2CC2)c([N+](=O)[O-])c1 ZINC000441397741 1104329994 /nfs/dbraw/zinc/32/99/94/1104329994.db2.gz FWCOBMRWJTVMKL-UHFFFAOYSA-N 1 0 374.412 4.034 20 5 FIBDRO CSc1ccc([C@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000467421156 1104730335 /nfs/dbraw/zinc/73/03/35/1104730335.db2.gz WFXHOEREEDKGQG-KGLIPLIRSA-N 1 0 373.478 4.385 20 5 FIBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCc2ccccc2C1 ZINC000536365866 1104819929 /nfs/dbraw/zinc/81/99/29/1104819929.db2.gz QNTPNSVDBSKCTJ-HXUWFJFHSA-N 1 0 363.417 4.239 20 5 FIBDRO C[C@H]([NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 ZINC000015504413 1105171416 /nfs/dbraw/zinc/17/14/16/1105171416.db2.gz UMDXDLHVVJFUKQ-SGTLLEGYSA-N 1 0 373.840 4.316 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2nccs2)ccc1Oc1ccc(F)cc1 ZINC000507894262 1105259833 /nfs/dbraw/zinc/25/98/33/1105259833.db2.gz HVKXAMDFMHEVQU-UHFFFAOYSA-N 1 0 373.409 4.315 20 5 FIBDRO COc1ccc(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000520786402 1105279888 /nfs/dbraw/zinc/27/98/88/1105279888.db2.gz JBRXISBOIYZNNQ-UHFFFAOYSA-N 1 0 354.328 4.254 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000450866085 1106763625 /nfs/dbraw/zinc/76/36/25/1106763625.db2.gz SSROZLGPWPAGRW-FVQBIDKESA-N 1 0 370.371 4.051 20 5 FIBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]2CCCC[C@H]21 ZINC000543906029 1106847807 /nfs/dbraw/zinc/84/78/07/1106847807.db2.gz QRAAUPGEECQNQG-FHLIZLRMSA-N 1 0 355.438 4.303 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1cccc(C2CC2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451113890 1106928574 /nfs/dbraw/zinc/92/85/74/1106928574.db2.gz LFIUKTRETVONJA-KBPBESRZSA-N 1 0 353.422 4.150 20 5 FIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000451117521 1106929372 /nfs/dbraw/zinc/92/93/72/1106929372.db2.gz UWHYYUGQBOXJQK-CQSZACIVSA-N 1 0 353.422 4.152 20 5 FIBDRO Cc1c([C@H](C)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cccc1[N+](=O)[O-] ZINC000530366038 1106987204 /nfs/dbraw/zinc/98/72/04/1106987204.db2.gz WECQDPXKCUFYLJ-DZKIICNBSA-N 1 0 370.453 4.085 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000451848890 1107340376 /nfs/dbraw/zinc/34/03/76/1107340376.db2.gz GZDDHGUEEYGZJI-LJQANCHMSA-N 1 0 369.421 4.052 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)OCc2c(F)cccc2[N+](=O)[O-])cc1)C(C)C ZINC000728997371 1107386904 /nfs/dbraw/zinc/38/69/04/1107386904.db2.gz NAZLOSSNGUXZDX-UHFFFAOYSA-N 1 0 374.412 4.321 20 5 FIBDRO C[C@@H](Cc1ccncc1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000530914548 1107408758 /nfs/dbraw/zinc/40/87/58/1107408758.db2.gz LHQPDVJNFLELBI-AWEZNQCLSA-N 1 0 353.447 4.439 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC000452183349 1107516056 /nfs/dbraw/zinc/51/60/56/1107516056.db2.gz OSPHHQUFDWGLDQ-HNNXBMFYSA-N 1 0 367.449 4.070 20 5 FIBDRO COc1ccc(-c2ccc(CNc3[nH+]ccn3C3CC3)o2)c([N+](=O)[O-])c1 ZINC000840887824 1107588105 /nfs/dbraw/zinc/58/81/05/1107588105.db2.gz WLQDJFHMZVTLMG-UHFFFAOYSA-N 1 0 354.366 4.007 20 5 FIBDRO CCN(CC)C(=O)[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000531203848 1107646079 /nfs/dbraw/zinc/64/60/79/1107646079.db2.gz YHNKBCYOXNDDDV-OXJNMPFZSA-N 1 0 369.465 4.164 20 5 FIBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)c1ccco1 ZINC000475563705 1107739035 /nfs/dbraw/zinc/73/90/35/1107739035.db2.gz JZNXOYJMVSOJCY-KRWDZBQOSA-N 1 0 374.441 4.009 20 5 FIBDRO C[NH+](C)Cc1ccc(-c2noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n2)cc1 ZINC000531348784 1107790173 /nfs/dbraw/zinc/79/01/73/1107790173.db2.gz ZSZQZFBNGXSLBB-UHFFFAOYSA-N 1 0 364.361 4.120 20 5 FIBDRO C[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000520213669 1108052471 /nfs/dbraw/zinc/05/24/71/1108052471.db2.gz KWQOERACMLRNST-NSHDSACASA-N 1 0 374.384 4.380 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](c4ccc(Cl)cc4)C3)nc2c1 ZINC000444656127 1108052697 /nfs/dbraw/zinc/05/26/97/1108052697.db2.gz ZNXRBIFBEMMDOI-CYBMUJFWSA-N 1 0 356.813 4.114 20 5 FIBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000444743215 1108145697 /nfs/dbraw/zinc/14/56/97/1108145697.db2.gz KQHAHQKZIFFARG-LBPRGKRZSA-N 1 0 365.227 4.087 20 5 FIBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000520245028 1108191720 /nfs/dbraw/zinc/19/17/20/1108191720.db2.gz GWEZTOZOHSOUEX-QGZVFWFLSA-N 1 0 360.845 4.201 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000520279259 1108276553 /nfs/dbraw/zinc/27/65/53/1108276553.db2.gz UCOYGFUUVCQICD-SFHVURJKSA-N 1 0 360.841 4.120 20 5 FIBDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000453231786 1108307941 /nfs/dbraw/zinc/30/79/41/1108307941.db2.gz UFCLNNNOOMTRJJ-VHKYSDTDSA-N 1 0 368.433 4.427 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1scnc1C ZINC000453304113 1108391479 /nfs/dbraw/zinc/39/14/79/1108391479.db2.gz HMFFMNSFGKZZRP-ZDUSSCGKSA-N 1 0 351.497 4.063 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000453318499 1108408285 /nfs/dbraw/zinc/40/82/85/1108408285.db2.gz MDIMPWBXOSBULG-HZPDHXFCSA-N 1 0 364.511 4.404 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000531950497 1108435787 /nfs/dbraw/zinc/43/57/87/1108435787.db2.gz RVZOANBPELHXNZ-HOTGVXAUSA-N 1 0 357.429 4.219 20 5 FIBDRO CC1(C)C[C@H]([NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000453363773 1108478986 /nfs/dbraw/zinc/47/89/86/1108478986.db2.gz RIDIZQBBQYYQBU-YSSFQJQWSA-N 1 0 367.449 4.222 20 5 FIBDRO CC1(C)C[C@H](C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000453407747 1108507046 /nfs/dbraw/zinc/50/70/46/1108507046.db2.gz GNCSVHQQGRMRSR-UZLBHIALSA-N 1 0 354.450 4.479 20 5 FIBDRO CCC(=O)Nc1cccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000532193427 1108701508 /nfs/dbraw/zinc/70/15/08/1108701508.db2.gz RABQCBLKZVLCJQ-IBGZPJMESA-N 1 0 367.449 4.054 20 5 FIBDRO CCC[C@@H]([NH2+]CCn1c(C)nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000532200114 1108704461 /nfs/dbraw/zinc/70/44/61/1108704461.db2.gz MTIONQYNHQXCDA-GOSISDBHSA-N 1 0 352.438 4.384 20 5 FIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000532201054 1108706876 /nfs/dbraw/zinc/70/68/76/1108706876.db2.gz CLFLFNGKVNWPKL-KPZWWZAWSA-N 1 0 359.451 4.114 20 5 FIBDRO O=[N+]([O-])c1ccccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532244181 1108733838 /nfs/dbraw/zinc/73/38/38/1108733838.db2.gz XIRHIXTVWMNIEQ-CTNGQTDRSA-N 1 0 365.477 4.081 20 5 FIBDRO C[C@@H]([NH2+][C@H](C)c1cccc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000057555277 1108825402 /nfs/dbraw/zinc/82/54/02/1108825402.db2.gz MSIZYWOFDZZTML-HUUCEWRRSA-N 1 0 363.417 4.426 20 5 FIBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000445902297 1109037628 /nfs/dbraw/zinc/03/76/28/1109037628.db2.gz DDMKNSVUAXFLDU-CQSZACIVSA-N 1 0 357.332 4.316 20 5 FIBDRO Cc1ccc([C@H]2CCC[C@@H]2[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000446846211 1109363727 /nfs/dbraw/zinc/36/37/27/1109363727.db2.gz WUTPTZWLNJUQGM-SJORKVTESA-N 1 0 350.422 4.205 20 5 FIBDRO C[NH+](C)Cc1ccc(CNc2ccc([N+](=O)[O-])cc2OC(F)F)cc1F ZINC000546886236 1109397561 /nfs/dbraw/zinc/39/75/61/1109397561.db2.gz LMLLMJIBDGCMAM-UHFFFAOYSA-N 1 0 369.343 4.009 20 5 FIBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000441208061 1109453198 /nfs/dbraw/zinc/45/31/98/1109453198.db2.gz NUWQDLJECOAJAC-GOSISDBHSA-N 1 0 356.422 4.128 20 5 FIBDRO C[C@@H](O)C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441234956 1109504603 /nfs/dbraw/zinc/50/46/03/1109504603.db2.gz RMEHUYASLXRPKS-CHWSQXEVSA-N 1 0 368.886 4.124 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2s1 ZINC000525951746 1109561661 /nfs/dbraw/zinc/56/16/61/1109561661.db2.gz DPFAJFVHFOZRKU-OLZOCXBDSA-N 1 0 369.446 4.487 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C(F)(F)F)c2)n1 ZINC000447513514 1109566398 /nfs/dbraw/zinc/56/63/98/1109566398.db2.gz WXMHGBMHZBAOQP-HUUCEWRRSA-N 1 0 368.359 4.084 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)CCC2 ZINC000447533933 1109569523 /nfs/dbraw/zinc/56/95/23/1109569523.db2.gz ZJVOOHDAIKQWEB-FCHUYYIVSA-N 1 0 365.477 4.399 20 5 FIBDRO CN(C)[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000447538479 1109572497 /nfs/dbraw/zinc/57/24/97/1109572497.db2.gz CFQGEYUVDSKDRJ-UXHICEINSA-N 1 0 357.429 4.004 20 5 FIBDRO C[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCc2sccc2C1 ZINC000447563700 1109582942 /nfs/dbraw/zinc/58/29/42/1109582942.db2.gz RTKSVEPWOWXTGO-AUUYWEPGSA-N 1 0 371.506 4.070 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCc2ccc(Cl)cc2)n1 ZINC000447584106 1109586659 /nfs/dbraw/zinc/58/66/59/1109586659.db2.gz DVCMWPIPOKZKTH-SJORKVTESA-N 1 0 362.861 4.151 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000447587773 1109587558 /nfs/dbraw/zinc/58/75/58/1109587558.db2.gz RJNCYJCGMLNXDM-ZQDZILKHSA-N 1 0 374.407 4.233 20 5 FIBDRO CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447588926 1109587945 /nfs/dbraw/zinc/58/79/45/1109587945.db2.gz VXIWIPIVSVRDBG-LADRWXRNSA-N 1 0 374.481 4.462 20 5 FIBDRO CC[NH+](CC)CCSc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447670530 1109615005 /nfs/dbraw/zinc/61/50/05/1109615005.db2.gz KDOMXKYZEBCANU-UHFFFAOYSA-N 1 0 373.347 4.078 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccccc1Cl ZINC000026227454 1109852446 /nfs/dbraw/zinc/85/24/46/1109852446.db2.gz DWBHSPDHYPZSSA-ZDUSSCGKSA-N 1 0 361.829 4.236 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000449155348 1109986974 /nfs/dbraw/zinc/98/69/74/1109986974.db2.gz BFZLFEZLRWQIDN-OXFYSEKESA-N 1 0 373.522 4.260 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000449171171 1109988194 /nfs/dbraw/zinc/98/81/94/1109988194.db2.gz KIVOSNAKVAZYGD-OPYAIIAOSA-N 1 0 367.493 4.026 20 5 FIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000237496791 1109996841 /nfs/dbraw/zinc/99/68/41/1109996841.db2.gz YFCMBWCAUDOTKR-KGLIPLIRSA-N 1 0 367.405 4.409 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000449215187 1109998769 /nfs/dbraw/zinc/99/87/69/1109998769.db2.gz MXDLFOCRJXKEKP-MBOZVWFJSA-N 1 0 354.450 4.283 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000449215994 1109999324 /nfs/dbraw/zinc/99/93/24/1109999324.db2.gz PKCQAJNHSVOEOQ-UQPPLGOBSA-N 1 0 362.470 4.016 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000449294277 1110025551 /nfs/dbraw/zinc/02/55/51/1110025551.db2.gz LAKLHAZDDCNBBB-KRWDZBQOSA-N 1 0 353.466 4.032 20 5 FIBDRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000449363774 1110049456 /nfs/dbraw/zinc/04/94/56/1110049456.db2.gz OTXCJPSGEWBZPS-QJPTWQEYSA-N 1 0 374.359 4.013 20 5 FIBDRO CC(C)(C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000449391576 1110055225 /nfs/dbraw/zinc/05/52/25/1110055225.db2.gz FRIUZVWPFSWCFF-AEFFLSMTSA-N 1 0 353.466 4.268 20 5 FIBDRO CSCC1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000449420566 1110069409 /nfs/dbraw/zinc/06/94/09/1110069409.db2.gz GBBLDILXWCHGCH-UHFFFAOYSA-N 1 0 374.510 4.007 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3(CF)CCOCC3)o2)c(Cl)c1 ZINC000449445078 1110071334 /nfs/dbraw/zinc/07/13/34/1110071334.db2.gz GAFUXRSMLJECIE-UHFFFAOYSA-N 1 0 368.792 4.117 20 5 FIBDRO COCC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000449552318 1110108156 /nfs/dbraw/zinc/10/81/56/1110108156.db2.gz IOQHPFXHQVGTCR-QGZVFWFLSA-N 1 0 368.355 4.481 20 5 FIBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000461453596 1111230948 /nfs/dbraw/zinc/23/09/48/1111230948.db2.gz ZFKLHKRAASDLNA-INIZCTEOSA-N 1 0 364.243 4.072 20 5 FIBDRO C[C@H]1C[C@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCO1 ZINC000538877793 1111335291 /nfs/dbraw/zinc/33/52/91/1111335291.db2.gz QOMJLQGOVIGNNG-GOEBONIOSA-N 1 0 374.412 4.431 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000539053152 1111402390 /nfs/dbraw/zinc/40/23/90/1111402390.db2.gz OTOCBABNSJMRNL-DNVCBOLYSA-N 1 0 364.449 4.015 20 5 FIBDRO Cc1c([C@H](C)[NH2+]CCOc2ccc(C(F)(F)F)cn2)cccc1[N+](=O)[O-] ZINC000539059643 1111406098 /nfs/dbraw/zinc/40/60/98/1111406098.db2.gz QHXMSFUTSGHLJS-LBPRGKRZSA-N 1 0 369.343 4.047 20 5 FIBDRO O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)[NH+]2CCCC2)cc1OC(F)F ZINC000462109909 1111501234 /nfs/dbraw/zinc/50/12/34/1111501234.db2.gz BYWDAMAEHFWJDW-CQSZACIVSA-N 1 0 367.352 4.038 20 5 FIBDRO CC[NH+](CC)CCSc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000462112621 1111501915 /nfs/dbraw/zinc/50/19/15/1111501915.db2.gz ONQYDIIWMYOVHO-UHFFFAOYSA-N 1 0 358.463 4.260 20 5 FIBDRO C[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000552048382 1111557750 /nfs/dbraw/zinc/55/77/50/1111557750.db2.gz QUHUAPBTEMADKD-KXBFYZLASA-N 1 0 356.470 4.224 20 5 FIBDRO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000552063504 1111563539 /nfs/dbraw/zinc/56/35/39/1111563539.db2.gz BFIDTVLNUGAYAA-SFHVURJKSA-N 1 0 356.470 4.224 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000477852618 1111586456 /nfs/dbraw/zinc/58/64/56/1111586456.db2.gz TXTYYYKYAYWFND-CSODHUTKSA-N 1 0 356.466 4.184 20 5 FIBDRO CC(=O)c1cc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000553076523 1111903136 /nfs/dbraw/zinc/90/31/36/1111903136.db2.gz PQBWISONBPABDB-LIRRHRJNSA-N 1 0 373.478 4.354 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CC2(C)CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000479453413 1112028736 /nfs/dbraw/zinc/02/87/36/1112028736.db2.gz MXBFQMKYLNWJGE-ASFAAARLSA-N 1 0 350.459 4.239 20 5 FIBDRO CCC(=O)c1ccc(SCC[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000480514883 1112459759 /nfs/dbraw/zinc/45/97/59/1112459759.db2.gz VKPCTODRVVSXJO-UHFFFAOYSA-N 1 0 358.463 4.412 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000555619337 1112950635 /nfs/dbraw/zinc/95/06/35/1112950635.db2.gz IWKKMPAPHGLYSW-HWKANZROSA-N 1 0 352.312 4.138 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000555963080 1113083815 /nfs/dbraw/zinc/08/38/15/1113083815.db2.gz ISOVERJCDPFRKB-UHFFFAOYSA-N 1 0 362.470 4.021 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000482358516 1113231937 /nfs/dbraw/zinc/23/19/37/1113231937.db2.gz MPTUAIXPXLQLKQ-SCTDSRPQSA-N 1 0 353.466 4.389 20 5 FIBDRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000482515932 1113281728 /nfs/dbraw/zinc/28/17/28/1113281728.db2.gz AOMBSKBAYLNIGW-OAHLLOKOSA-N 1 0 370.453 4.018 20 5 FIBDRO CC(C)(C)c1csc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000482555180 1113294377 /nfs/dbraw/zinc/29/43/77/1113294377.db2.gz HGFUSAFTMIBXIC-HNNXBMFYSA-N 1 0 359.495 4.460 20 5 FIBDRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000482646090 1113319638 /nfs/dbraw/zinc/31/96/38/1113319638.db2.gz JYOIBRMJWLLIKB-AWEZNQCLSA-N 1 0 358.438 4.240 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000249177454 1113378595 /nfs/dbraw/zinc/37/85/95/1113378595.db2.gz FXGPPFZKIMSLGK-ZENOOKHLSA-N 1 0 360.376 4.037 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](c2c(F)cccc2F)N(C)C)cc1[N+](=O)[O-] ZINC000483138248 1113446433 /nfs/dbraw/zinc/44/64/33/1113446433.db2.gz AFABCVAEVSFIGI-FZKQIMNGSA-N 1 0 363.408 4.135 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@H](c2c(F)cccc2F)N(C)C)cccc1[N+](=O)[O-] ZINC000483144097 1113453249 /nfs/dbraw/zinc/45/32/49/1113453249.db2.gz QYDBZZBWVTZHPC-SCLBCKFNSA-N 1 0 363.408 4.135 20 5 FIBDRO CC[C@@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000483162499 1113458940 /nfs/dbraw/zinc/45/89/40/1113458940.db2.gz XTLARZQIBUGDSB-MSOLQXFVSA-N 1 0 363.408 4.217 20 5 FIBDRO CCOc1cc(NC2CC[NH+](CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000486139334 1113514116 /nfs/dbraw/zinc/51/41/16/1113514116.db2.gz URKUVDIHUXWMPY-UHFFFAOYSA-N 1 0 369.465 4.113 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3cccc(F)c3F)o2)cc1 ZINC000489032494 1114036832 /nfs/dbraw/zinc/03/68/32/1114036832.db2.gz DAQGZKVGNOLVQO-UHFFFAOYSA-N 1 0 358.344 4.465 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1)C1CC1 ZINC000129520780 1114336738 /nfs/dbraw/zinc/33/67/38/1114336738.db2.gz WNRPEJGXORFCCA-UHFFFAOYSA-N 1 0 367.449 4.448 20 5 FIBDRO COc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1SC ZINC000490821505 1114339210 /nfs/dbraw/zinc/33/92/10/1114339210.db2.gz PAQRFWWJZVSLBL-UHFFFAOYSA-N 1 0 358.463 4.490 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(F)c3cccnc23)C2CC2)cc1 ZINC000490847534 1114342437 /nfs/dbraw/zinc/34/24/37/1114342437.db2.gz VDMKTLUDOAFYPN-UHFFFAOYSA-N 1 0 351.381 4.447 20 5 FIBDRO C[N@H+](CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000491035700 1114365137 /nfs/dbraw/zinc/36/51/37/1114365137.db2.gz JRYIZICOBCCNOJ-NRFANRHFSA-N 1 0 353.466 4.148 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000586778942 1114391845 /nfs/dbraw/zinc/39/18/45/1114391845.db2.gz GPNLULMFTSPMPN-QRVBRYPASA-N 1 0 372.852 4.253 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000164405405 1114494106 /nfs/dbraw/zinc/49/41/06/1114494106.db2.gz BWQGBMCALDQRTN-IBGZPJMESA-N 1 0 371.412 4.208 20 5 FIBDRO CC(C)c1ccc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000588930133 1114676787 /nfs/dbraw/zinc/67/67/87/1114676787.db2.gz LFHDPDUVYMHJBY-MRXNPFEDSA-N 1 0 362.857 4.237 20 5 FIBDRO COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000167240517 1115221942 /nfs/dbraw/zinc/22/19/42/1115221942.db2.gz QHWVFTGCCJMVPX-KRWDZBQOSA-N 1 0 372.465 4.478 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000574052793 1115287985 /nfs/dbraw/zinc/28/79/85/1115287985.db2.gz BWQHSKWDGWQSBT-XPGWFJOJSA-N 1 0 352.434 4.340 20 5 FIBDRO Cc1ccc(-c2nn(C)cc2CN(Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000592498048 1115326809 /nfs/dbraw/zinc/32/68/09/1115326809.db2.gz VZNMWYNWGXNVKH-UHFFFAOYSA-N 1 0 366.421 4.061 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](C2CC2)C2CCOCC2)o1 ZINC000593669196 1115338249 /nfs/dbraw/zinc/33/82/49/1115338249.db2.gz WZXWGZOJKMZIGC-HXUWFJFHSA-N 1 0 356.422 4.150 20 5 FIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000594516765 1115458701 /nfs/dbraw/zinc/45/87/01/1115458701.db2.gz FLQPOYXWTOGENS-STQMWFEESA-N 1 0 369.412 4.116 20 5 FIBDRO COc1cccc2c1OCC[C@H]2[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000594523080 1115459832 /nfs/dbraw/zinc/45/98/32/1115459832.db2.gz NAFUHDLHXYSGAK-GPZRYRNASA-N 1 0 354.406 4.120 20 5 FIBDRO COc1cccc2c1OCC[C@H]2[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000594523079 1115460047 /nfs/dbraw/zinc/46/00/47/1115460047.db2.gz NAFUHDLHXYSGAK-DEQJRXDXSA-N 1 0 354.406 4.120 20 5 FIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccc2c(c1)OCCO2 ZINC000595018089 1115503886 /nfs/dbraw/zinc/50/38/86/1115503886.db2.gz PVDBLQFZGPNQRP-GUYCJALGSA-N 1 0 372.421 4.177 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1ccc2ccccc2n1 ZINC000595015591 1115504293 /nfs/dbraw/zinc/50/42/93/1115504293.db2.gz OVIPIEVVPFOOOF-AWEZNQCLSA-N 1 0 351.406 4.045 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000595004494 1115507182 /nfs/dbraw/zinc/50/71/82/1115507182.db2.gz AMIPWAIHGQJJTL-XPIZARPCSA-N 1 0 370.449 4.422 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000595009021 1115507807 /nfs/dbraw/zinc/50/78/07/1115507807.db2.gz ARYGJNPAXUYHLE-LSDHHAIUSA-N 1 0 366.421 4.201 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000595033814 1115510705 /nfs/dbraw/zinc/51/07/05/1115510705.db2.gz DEAULDPMSUYTAS-YRNRMSPPSA-N 1 0 370.449 4.422 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2Sc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000595418113 1115534777 /nfs/dbraw/zinc/53/47/77/1115534777.db2.gz CCSFBGUBSOVQKN-FZKQIMNGSA-N 1 0 371.462 4.057 20 5 FIBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000595431744 1115536005 /nfs/dbraw/zinc/53/60/05/1115536005.db2.gz GYZRKJKGQZNMHA-IEBWSBKVSA-N 1 0 362.376 4.225 20 5 FIBDRO O=C(CC[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000595673468 1115556533 /nfs/dbraw/zinc/55/65/33/1115556533.db2.gz FJOVOXWSRUFMQS-LJQANCHMSA-N 1 0 369.421 4.134 20 5 FIBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1([NH2+]C2CC2)CCC1 ZINC000595944939 1115567765 /nfs/dbraw/zinc/56/77/65/1115567765.db2.gz LPHZXVDKUJBQBZ-UHFFFAOYSA-N 1 0 367.405 4.000 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cnccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000596114400 1115576109 /nfs/dbraw/zinc/57/61/09/1115576109.db2.gz BIOBNOAPZYPUNS-NSHDSACASA-N 1 0 369.343 4.258 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000596652861 1115604123 /nfs/dbraw/zinc/60/41/23/1115604123.db2.gz QDIHWRPGZQXOJY-NVXWUHKLSA-N 1 0 357.479 4.325 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000597207321 1115647623 /nfs/dbraw/zinc/64/76/23/1115647623.db2.gz ZWXXEDNJXCJEQG-COOTTXPVSA-N 1 0 366.461 4.096 20 5 FIBDRO CC(C)([NH2+]Cc1ccnn1CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000598634057 1115741910 /nfs/dbraw/zinc/74/19/10/1115741910.db2.gz LLCKWDJOJLUQKH-UHFFFAOYSA-N 1 0 364.449 4.059 20 5 FIBDRO COc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC1CC1 ZINC000598965012 1115771591 /nfs/dbraw/zinc/77/15/91/1115771591.db2.gz JWZIKEYHPMCTGT-UHFFFAOYSA-N 1 0 356.422 4.170 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](OCCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000598996531 1115777488 /nfs/dbraw/zinc/77/74/88/1115777488.db2.gz JQDXCYLLPFCVDD-QAQDUYKDSA-N 1 0 350.459 4.067 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)c2ccc(C)cn2)cc1[N+](=O)[O-] ZINC000599072002 1115787066 /nfs/dbraw/zinc/78/70/66/1115787066.db2.gz WFTPVIFBSAFPJU-HNNXBMFYSA-N 1 0 357.454 4.325 20 5 FIBDRO C[NH+](C)[C@@H]1CCOc2c(Nc3ccc4cnccc4c3[N+](=O)[O-])cccc21 ZINC000599079749 1115787684 /nfs/dbraw/zinc/78/76/84/1115787684.db2.gz NTQPTFRPCKPYHH-GOSISDBHSA-N 1 0 364.405 4.272 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2csc(C(F)(F)F)c2)n1 ZINC000599089249 1115788394 /nfs/dbraw/zinc/78/83/94/1115788394.db2.gz YOFFCUOYHBWNQT-RYUDHWBXSA-N 1 0 374.388 4.145 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2csc(C(F)(F)F)c2)n1 ZINC000599089248 1115788547 /nfs/dbraw/zinc/78/85/47/1115788547.db2.gz YOFFCUOYHBWNQT-NWDGAFQWSA-N 1 0 374.388 4.145 20 5 FIBDRO COc1ccc([C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C2CC2)cn1 ZINC000599095973 1115789382 /nfs/dbraw/zinc/78/93/82/1115789382.db2.gz JPXGRRRNXVAOEN-UYAOXDASSA-N 1 0 353.422 4.117 20 5 FIBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@]4(CC4(F)F)C3)o2)c([N+](=O)[O-])c1 ZINC000593696285 1115797798 /nfs/dbraw/zinc/79/77/98/1115797798.db2.gz ZTPGWFBUCDORPI-KRWDZBQOSA-N 1 0 364.348 4.095 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000593715013 1115800959 /nfs/dbraw/zinc/80/09/59/1115800959.db2.gz FXVVDGUDRUFGFP-CUWPLCDZSA-N 1 0 358.482 4.101 20 5 FIBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000603635177 1115801526 /nfs/dbraw/zinc/80/15/26/1115801526.db2.gz DPOJRTCHZFJACA-HNNXBMFYSA-N 1 0 363.502 4.133 20 5 FIBDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000603846155 1115820707 /nfs/dbraw/zinc/82/07/07/1115820707.db2.gz WVZQKXPKLFNUIR-LJQANCHMSA-N 1 0 356.422 4.258 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000604012928 1115840927 /nfs/dbraw/zinc/84/09/27/1115840927.db2.gz FYAAMFGEFCBUFC-CQSZACIVSA-N 1 0 370.396 4.359 20 5 FIBDRO COc1ccc([C@@H]([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000604012511 1115840975 /nfs/dbraw/zinc/84/09/75/1115840975.db2.gz JOQVMXKYXMYRER-FQEVSTJZSA-N 1 0 356.422 4.113 20 5 FIBDRO Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000604027703 1115843390 /nfs/dbraw/zinc/84/33/90/1115843390.db2.gz ZLHYWANZWDBXJC-UHFFFAOYSA-N 1 0 367.449 4.184 20 5 FIBDRO Cc1ccc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000604079937 1115846532 /nfs/dbraw/zinc/84/65/32/1115846532.db2.gz DNUVJIYQPOSBMJ-UHFFFAOYSA-N 1 0 374.485 4.023 20 5 FIBDRO Cc1ccc([C@@H](C)[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)c1 ZINC000604081449 1115846835 /nfs/dbraw/zinc/84/68/35/1115846835.db2.gz UDOHPQIARCJZPW-OAHLLOKOSA-N 1 0 356.422 4.271 20 5 FIBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCC(C(C)(C)C)CC1 ZINC000604414834 1115865092 /nfs/dbraw/zinc/86/50/92/1115865092.db2.gz PIAGFHWUQKYIJM-UHFFFAOYSA-N 1 0 362.470 4.498 20 5 FIBDRO COc1ccc(C[NH2+]C[C@@H](C)C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000604419117 1115865108 /nfs/dbraw/zinc/86/51/08/1115865108.db2.gz KVHUCXVEOOPFQE-OAHLLOKOSA-N 1 0 370.449 4.318 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)c1 ZINC000604481237 1115866338 /nfs/dbraw/zinc/86/63/38/1115866338.db2.gz XYRGQIBOVZWJLM-LJQANCHMSA-N 1 0 359.857 4.175 20 5 FIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCc3noc4ccccc43)C2)cc1 ZINC000594005313 1115957478 /nfs/dbraw/zinc/95/74/78/1115957478.db2.gz HBCUIHHHNYAWTQ-INIZCTEOSA-N 1 0 351.406 4.158 20 5 FIBDRO Cc1ccnc([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)c1 ZINC000594007730 1115958740 /nfs/dbraw/zinc/95/87/40/1115958740.db2.gz FGFJVZVTJKHOOH-MRXNPFEDSA-N 1 0 355.438 4.075 20 5 FIBDRO C[NH+](C)C1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCCC1 ZINC000608835470 1116130957 /nfs/dbraw/zinc/13/09/57/1116130957.db2.gz KJPDXHGGPMPSPU-UHFFFAOYSA-N 1 0 357.454 4.209 20 5 FIBDRO CN(C)[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000608835480 1116130970 /nfs/dbraw/zinc/13/09/70/1116130970.db2.gz LSTLJUMXGVWDBI-FQEVSTJZSA-N 1 0 365.433 4.247 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1CCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000608835523 1116130989 /nfs/dbraw/zinc/13/09/89/1116130989.db2.gz RHXFMBPAKJPEKE-MRXNPFEDSA-N 1 0 357.454 4.209 20 5 FIBDRO C[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCCC[C@@H]1C ZINC000608836452 1116131126 /nfs/dbraw/zinc/13/11/26/1116131126.db2.gz YOJKWFJRZYJBSD-JKSUJKDBSA-N 1 0 357.454 4.207 20 5 FIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCC[C@H](C)C1 ZINC000608836400 1116131220 /nfs/dbraw/zinc/13/12/20/1116131220.db2.gz WCGZRJZXIXSHGS-HOTGVXAUSA-N 1 0 357.454 4.065 20 5 FIBDRO C[C@@H]1CCCCN1CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000608836083 1116131361 /nfs/dbraw/zinc/13/13/61/1116131361.db2.gz KJWNDXPMSJJDNP-OAHLLOKOSA-N 1 0 359.495 4.287 20 5 FIBDRO C[NH+](C)CCc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000609063041 1116154884 /nfs/dbraw/zinc/15/48/84/1116154884.db2.gz SWPCYACWZZRXGM-UHFFFAOYSA-N 1 0 369.446 4.166 20 5 FIBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc21 ZINC000456269302 1116173411 /nfs/dbraw/zinc/17/34/11/1116173411.db2.gz JXJRRSIHHNVLTO-HNNXBMFYSA-N 1 0 359.813 4.049 20 5 FIBDRO Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000152665189 1116180658 /nfs/dbraw/zinc/18/06/58/1116180658.db2.gz UMNZMYRBTRIJTN-ZDUSSCGKSA-N 1 0 361.829 4.236 20 5 FIBDRO C[C@H]1C[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000491228787 1116225951 /nfs/dbraw/zinc/22/59/51/1116225951.db2.gz SHXZGAFUMYAYMG-QFBILLFUSA-N 1 0 371.456 4.219 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000152768399 1116323773 /nfs/dbraw/zinc/32/37/73/1116323773.db2.gz CJQGAZFZFJBVLE-OLZOCXBDSA-N 1 0 358.394 4.134 20 5 FIBDRO CCOCc1ccc(C[NH2+][C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 ZINC000152850973 1116355347 /nfs/dbraw/zinc/35/53/47/1116355347.db2.gz XVFYCVHMOZLQDT-HNNXBMFYSA-N 1 0 358.438 4.381 20 5 FIBDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000539681463 1116365738 /nfs/dbraw/zinc/36/57/38/1116365738.db2.gz LRRRKQQWJWMTPL-NBYUQASBSA-N 1 0 360.498 4.489 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCOC4(CCC4)C3)o2)c(Cl)c1 ZINC000539816963 1116384346 /nfs/dbraw/zinc/38/43/46/1116384346.db2.gz HDNCXGGXBQNHHR-UHFFFAOYSA-N 1 0 362.813 4.263 20 5 FIBDRO CCOc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000539836577 1116389130 /nfs/dbraw/zinc/38/91/30/1116389130.db2.gz OPNZUWFQWGATMX-UHFFFAOYSA-N 1 0 356.422 4.037 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)s2)cc1 ZINC000539891334 1116395795 /nfs/dbraw/zinc/39/57/95/1116395795.db2.gz LMZKIIOOZBJTGN-QAPCUYQASA-N 1 0 358.463 4.324 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000595095284 1117741964 /nfs/dbraw/zinc/74/19/64/1117741964.db2.gz IAKIVKVHCYQSQQ-IWMITWMQSA-N 1 0 372.465 4.402 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCC2CC2)cc1 ZINC000462737764 1117743037 /nfs/dbraw/zinc/74/30/37/1117743037.db2.gz WQIUFQZKFYYNJD-UHFFFAOYSA-N 1 0 362.433 4.337 20 5 FIBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1cccc(F)c1 ZINC000462916825 1117859760 /nfs/dbraw/zinc/85/97/60/1117859760.db2.gz KDKQZQBCPZUOKR-HNNXBMFYSA-N 1 0 369.343 4.050 20 5 FIBDRO C[N@H+](CCCNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CCCCC1 ZINC000462916553 1117860562 /nfs/dbraw/zinc/86/05/62/1117860562.db2.gz FKNNRFWLCKGDQW-UHFFFAOYSA-N 1 0 357.401 4.263 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000540120339 1117890510 /nfs/dbraw/zinc/89/05/10/1117890510.db2.gz HRJRRJNGHKWFKC-IBGZPJMESA-N 1 0 352.434 4.477 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000540120340 1117890595 /nfs/dbraw/zinc/89/05/95/1117890595.db2.gz HRJRRJNGHKWFKC-LJQANCHMSA-N 1 0 352.434 4.477 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(SC)c1 ZINC000540137145 1117901093 /nfs/dbraw/zinc/90/10/93/1117901093.db2.gz LJPQFQBBJQZFNO-CQSZACIVSA-N 1 0 363.508 4.372 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000540152232 1117906208 /nfs/dbraw/zinc/90/62/08/1117906208.db2.gz SGTVJPJVGZBXQS-MLGOLLRUSA-N 1 0 368.355 4.306 20 5 FIBDRO Cc1c([C@H](C)[NH2+]CCOc2cccc(C(F)(F)F)n2)cccc1[N+](=O)[O-] ZINC000540154678 1117908016 /nfs/dbraw/zinc/90/80/16/1117908016.db2.gz XTAHAEGTAUYXBS-LBPRGKRZSA-N 1 0 369.343 4.047 20 5 FIBDRO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540155969 1117908570 /nfs/dbraw/zinc/90/85/70/1117908570.db2.gz OQGNXUNEBGSDDE-ZIAGYGMSSA-N 1 0 371.437 4.282 20 5 FIBDRO C[C@H]([NH2+]CCc1nc(-c2ccncc2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000540170380 1117913000 /nfs/dbraw/zinc/91/30/00/1117913000.db2.gz RKTLCTKGGQXZTP-ZDUSSCGKSA-N 1 0 354.435 4.007 20 5 FIBDRO C[C@H](c1ccsc1)[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000463063462 1117948026 /nfs/dbraw/zinc/94/80/26/1117948026.db2.gz VBGQRCRSNKVNTC-DQOPKJQZSA-N 1 0 357.479 4.048 20 5 FIBDRO Cc1ccccc1[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000540360721 1118014182 /nfs/dbraw/zinc/01/41/82/1118014182.db2.gz YBHWTHZMXQXOID-LJQANCHMSA-N 1 0 355.438 4.137 20 5 FIBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000540365883 1118017517 /nfs/dbraw/zinc/01/75/17/1118017517.db2.gz KGXHGMBIMRBVED-QGZVFWFLSA-N 1 0 370.840 4.055 20 5 FIBDRO Cc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1C ZINC000540387034 1118021293 /nfs/dbraw/zinc/02/12/93/1118021293.db2.gz ZRFYBSGBIXJHNH-MRXNPFEDSA-N 1 0 355.438 4.199 20 5 FIBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1-c1ccc(Cl)cc1 ZINC000540387424 1118022865 /nfs/dbraw/zinc/02/28/65/1118022865.db2.gz AHOPETMCUPTPNO-CQSZACIVSA-N 1 0 370.840 4.463 20 5 FIBDRO CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000540379849 1118031268 /nfs/dbraw/zinc/03/12/68/1118031268.db2.gz JHGOEIYLWRGEGM-LSDHHAIUSA-N 1 0 355.438 4.398 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(c2ccccc2)CCCC1 ZINC000540396415 1118040561 /nfs/dbraw/zinc/04/05/61/1118040561.db2.gz IJWOKOAGVNSEGB-UHFFFAOYSA-N 1 0 367.449 4.291 20 5 FIBDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])s3)c2C1 ZINC000076171309 1118135954 /nfs/dbraw/zinc/13/59/54/1118135954.db2.gz DHJDYDCZUSGDSO-UHFFFAOYSA-N 1 0 359.451 4.270 20 5 FIBDRO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000540588595 1118145396 /nfs/dbraw/zinc/14/53/96/1118145396.db2.gz ATDHZGYMLQHNEJ-XCLFUZPHSA-N 1 0 354.406 4.168 20 5 FIBDRO CC(=O)Nc1ccc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000540988765 1118339585 /nfs/dbraw/zinc/33/95/85/1118339585.db2.gz OOIXCQVMSSGJOL-LBPRGKRZSA-N 1 0 361.829 4.100 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)cc1[N+](=O)[O-] ZINC000122449827 1118567490 /nfs/dbraw/zinc/56/74/90/1118567490.db2.gz QYQAGDGIFBEMKU-OAHLLOKOSA-N 1 0 367.449 4.493 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@H+](CCCOc2ccccc2)C2CCOCC2)cc1 ZINC000464589710 1118617998 /nfs/dbraw/zinc/61/79/98/1118617998.db2.gz VYNPCAKPPMQJBE-UHFFFAOYSA-N 1 0 370.449 4.045 20 5 FIBDRO Cc1ccccc1OCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464770629 1118680925 /nfs/dbraw/zinc/68/09/25/1118680925.db2.gz BRRKIMRWQNVRGY-UHFFFAOYSA-N 1 0 370.449 4.216 20 5 FIBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000464849741 1118721823 /nfs/dbraw/zinc/72/18/23/1118721823.db2.gz IHBZLVCYRBGHFR-GDBMZVCRSA-N 1 0 360.410 4.048 20 5 FIBDRO CCN(CC)C(=O)CCC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000542048765 1118771875 /nfs/dbraw/zinc/77/18/75/1118771875.db2.gz CHCWODFGKIPJAI-MRXNPFEDSA-N 1 0 361.486 4.016 20 5 FIBDRO CC(C)c1ccc(C[NH2+]Cc2cnccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000596063073 1118818146 /nfs/dbraw/zinc/81/81/46/1118818146.db2.gz QFUDQNYGEQWRLJ-UHFFFAOYSA-N 1 0 353.344 4.422 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2CCOC2)ccc1Oc1ccc(F)cc1 ZINC000542299539 1118889625 /nfs/dbraw/zinc/88/96/25/1118889625.db2.gz GSYSHCPIDPAMKR-CQSZACIVSA-N 1 0 360.385 4.042 20 5 FIBDRO Cc1ccc([C@@H]2CC[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000542319691 1118903688 /nfs/dbraw/zinc/90/36/88/1118903688.db2.gz LHGRTYNPSVKJCF-GOSISDBHSA-N 1 0 367.449 4.030 20 5 FIBDRO CCOc1cc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)ccc1[N+](=O)[O-] ZINC000492719370 1119172391 /nfs/dbraw/zinc/17/23/91/1119172391.db2.gz DTXQMDBLBLBWNU-GFCCVEGCSA-N 1 0 366.364 4.446 20 5 FIBDRO C[C@]1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCC[C@@H]1O ZINC000493177795 1119328380 /nfs/dbraw/zinc/32/83/80/1119328380.db2.gz QWIUSMBKTDZWPQ-PCCBWWKXSA-N 1 0 354.450 4.215 20 5 FIBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000493210854 1119345173 /nfs/dbraw/zinc/34/51/73/1119345173.db2.gz NLKFEOPJROFGPW-KRWDZBQOSA-N 1 0 373.884 4.202 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1Cl ZINC000761520671 1119409353 /nfs/dbraw/zinc/40/93/53/1119409353.db2.gz DEOSFRJPUDOMSV-ZWKOTPCHSA-N 1 0 364.804 4.397 20 5 FIBDRO CC[NH+](CC)Cc1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000031531701 1119496661 /nfs/dbraw/zinc/49/66/61/1119496661.db2.gz XFSXODGZLJKOAD-UHFFFAOYSA-N 1 0 373.478 4.167 20 5 FIBDRO C/C(=C/c1ccccc1)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000494269290 1119816676 /nfs/dbraw/zinc/81/66/76/1119816676.db2.gz WTSMQPWOGVXYBO-SSZFMOIBSA-N 1 0 367.449 4.267 20 5 FIBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494715090 1120079402 /nfs/dbraw/zinc/07/94/02/1120079402.db2.gz LSPCFQYPMAZEAD-VQTJNVASSA-N 1 0 356.466 4.317 20 5 FIBDRO Cc1c(NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000609214606 1120454880 /nfs/dbraw/zinc/45/48/80/1120454880.db2.gz OHKLVRVPESLQPY-OAHLLOKOSA-N 1 0 370.453 4.154 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000495158808 1120516559 /nfs/dbraw/zinc/51/65/59/1120516559.db2.gz QFLSJGYINOTQKC-MJGOQNOKSA-N 1 0 369.465 4.003 20 5 FIBDRO CCc1nc2c(s1)[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000495373618 1120758336 /nfs/dbraw/zinc/75/83/36/1120758336.db2.gz GSDCHHAHAFEEGA-CYBMUJFWSA-N 1 0 365.886 4.477 20 5 FIBDRO CCc1nc(C)c([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000495414887 1120793061 /nfs/dbraw/zinc/79/30/61/1120793061.db2.gz KWBBMXQFFPJMQK-JTQLQIEISA-N 1 0 353.875 4.469 20 5 FIBDRO COc1ccc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000495414441 1120797929 /nfs/dbraw/zinc/79/79/29/1120797929.db2.gz IEOJZKKGXMEMOY-NSHDSACASA-N 1 0 352.793 4.289 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)CCC2 ZINC000193356488 1120798765 /nfs/dbraw/zinc/79/87/65/1120798765.db2.gz BPKOOTQZBKWXEZ-YYWHXJBOSA-N 1 0 352.434 4.340 20 5 FIBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000495428579 1120804052 /nfs/dbraw/zinc/80/40/52/1120804052.db2.gz YDRXTWYOUVRXKD-ZJOUEHCJSA-N 1 0 360.498 4.489 20 5 FIBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000915164637 1120849288 /nfs/dbraw/zinc/84/92/88/1120849288.db2.gz MKUNONRWQNMNQI-UHFFFAOYSA-N 1 0 373.840 4.486 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000915211485 1120870019 /nfs/dbraw/zinc/87/00/19/1120870019.db2.gz UEZVYKJBXBWCKE-SECBINFHSA-N 1 0 363.767 4.163 20 5 FIBDRO CCOc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000090585813 1121016754 /nfs/dbraw/zinc/01/67/54/1121016754.db2.gz HDBIYJWYJMLIRX-IRXDYDNUSA-N 1 0 363.502 4.012 20 5 FIBDRO COc1ccc(C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC(F)F ZINC000026453280 1121091166 /nfs/dbraw/zinc/09/11/66/1121091166.db2.gz UXMAPKHEWHWIOA-LBPRGKRZSA-N 1 0 366.364 4.398 20 5 FIBDRO COCCCOc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000090718739 1121222995 /nfs/dbraw/zinc/22/29/95/1121222995.db2.gz CQLQMLKSSRYWGE-INIZCTEOSA-N 1 0 358.438 4.169 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090723381 1121254680 /nfs/dbraw/zinc/25/46/80/1121254680.db2.gz RIEIGUNWGGSNNE-INIZCTEOSA-N 1 0 370.449 4.141 20 5 FIBDRO CC(C)(C)c1ccc(C2([NH2+]CCn3cc([N+](=O)[O-])cn3)CCCC2)cc1 ZINC001168510139 1121515985 /nfs/dbraw/zinc/51/59/85/1121515985.db2.gz SPMQEHMLTDMEJD-UHFFFAOYSA-N 1 0 356.470 4.148 20 5 FIBDRO CCCc1ccc([C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000027367831 1122027879 /nfs/dbraw/zinc/02/78/79/1122027879.db2.gz VWZCQRQAMSLXNO-HXUWFJFHSA-N 1 0 369.465 4.133 20 5 FIBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2c[nH]nc2-c2cccs2)C2CC2)c1 ZINC000154281528 1122137720 /nfs/dbraw/zinc/13/77/20/1122137720.db2.gz MZYWIPDAYLYSRS-UHFFFAOYSA-N 1 0 354.435 4.211 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c2ncccc12 ZINC000301518692 1122195444 /nfs/dbraw/zinc/19/54/44/1122195444.db2.gz DNVQKLBETCJEKN-KRWDZBQOSA-N 1 0 368.481 4.235 20 5 FIBDRO CCC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000917181056 1122216642 /nfs/dbraw/zinc/21/66/42/1122216642.db2.gz OLWPQTVCZDZGNG-HNNXBMFYSA-N 1 0 361.829 4.318 20 5 FIBDRO O=[N+]([O-])c1ccc(NC2CCC([NH+]3CCCCC3)CC2)c2ccncc21 ZINC000301546277 1122218153 /nfs/dbraw/zinc/21/81/53/1122218153.db2.gz OZCYBJCWDSKGSY-UHFFFAOYSA-N 1 0 354.454 4.352 20 5 FIBDRO CC(=O)c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301542071 1122218498 /nfs/dbraw/zinc/21/84/98/1122218498.db2.gz NTIJRJMAFFYNPZ-HNAYVOBHSA-N 1 0 367.449 4.262 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000301551229 1122220223 /nfs/dbraw/zinc/22/02/23/1122220223.db2.gz QRKNULZEKKYDQI-LPHOPBHVSA-N 1 0 369.465 4.206 20 5 FIBDRO COc1cc(NC[C@H](c2cccs2)[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000301608950 1122245269 /nfs/dbraw/zinc/24/52/69/1122245269.db2.gz AMAZCDVKABZOKF-OAHLLOKOSA-N 1 0 365.430 4.053 20 5 FIBDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000542709035 1122310787 /nfs/dbraw/zinc/31/07/87/1122310787.db2.gz GECWAOKPVYBTOW-QUCCMNQESA-N 1 0 358.413 4.394 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](Nc1ccccc1)C(C)C ZINC000609287343 1122816691 /nfs/dbraw/zinc/81/66/91/1122816691.db2.gz FDJBOCQORIROOB-IBGZPJMESA-N 1 0 357.454 4.220 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@H]1OC ZINC000556879473 1123165718 /nfs/dbraw/zinc/16/57/18/1123165718.db2.gz DLSVVRPXHGLUIH-OZOXKJRCSA-N 1 0 370.449 4.044 20 5 FIBDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000556959510 1123272671 /nfs/dbraw/zinc/27/26/71/1123272671.db2.gz XCRGGPGNAOJBJF-HXUWFJFHSA-N 1 0 358.438 4.085 20 5 FIBDRO O=C(CC[NH2+][C@H](c1ccc(F)cc1)C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000557021892 1123314892 /nfs/dbraw/zinc/31/48/92/1123314892.db2.gz KPWNUWCDERQLLK-FQEVSTJZSA-N 1 0 371.412 4.194 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CCCc2cccc(Br)c2)cs1 ZINC000609419887 1123708680 /nfs/dbraw/zinc/70/86/80/1123708680.db2.gz JJAKYISVPRJDPM-UHFFFAOYSA-N 1 0 355.257 4.141 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000609441810 1123713796 /nfs/dbraw/zinc/71/37/96/1123713796.db2.gz DPGBQHKCHXGQEQ-AWEZNQCLSA-N 1 0 371.412 4.361 20 5 FIBDRO CCc1ccc(-c2noc([C@@H](C)[NH2+]CCc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000542620766 1123756749 /nfs/dbraw/zinc/75/67/49/1123756749.db2.gz BEVOVGIDOQCNHA-CQSZACIVSA-N 1 0 366.421 4.101 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](c2cccnc2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000609586663 1123760187 /nfs/dbraw/zinc/76/01/87/1123760187.db2.gz XCHWJAOAQYKGAZ-HXUWFJFHSA-N 1 0 355.438 4.410 20 5 FIBDRO C[C@]1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCOC1 ZINC000609600489 1123764564 /nfs/dbraw/zinc/76/45/64/1123764564.db2.gz GFOLIYUQGIWDBR-LJQANCHMSA-N 1 0 360.385 4.042 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609705023 1123803724 /nfs/dbraw/zinc/80/37/24/1123803724.db2.gz HSFJJDNTLJGZAB-CVEARBPZSA-N 1 0 365.905 4.335 20 5 FIBDRO CCC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000610133381 1123950146 /nfs/dbraw/zinc/95/01/46/1123950146.db2.gz LSIDWHKNGZJGKI-UAGQMJEPSA-N 1 0 352.862 4.274 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)cs1 ZINC000237657663 1124016989 /nfs/dbraw/zinc/01/69/89/1124016989.db2.gz KRPUWYWDFTUCDC-UHFFFAOYSA-N 1 0 366.870 4.148 20 5 FIBDRO NC(=O)c1cccc(CC[NH2+]Cc2c3ccccc3cc3ccccc32)c1 ZINC000237779238 1124072779 /nfs/dbraw/zinc/07/27/79/1124072779.db2.gz LQASFHYLRRUZOC-UHFFFAOYSA-N 1 0 354.453 4.424 20 5 FIBDRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000153725828 1124367674 /nfs/dbraw/zinc/36/76/74/1124367674.db2.gz LBISUYUDTOMBAQ-ZDUSSCGKSA-N 1 0 354.385 4.079 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000123182471 1124402302 /nfs/dbraw/zinc/40/23/02/1124402302.db2.gz MVZLTNWFOGAGPH-UHFFFAOYSA-N 1 0 373.884 4.045 20 5 FIBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000180911953 1124474396 /nfs/dbraw/zinc/47/43/96/1124474396.db2.gz VDBJFWOOINAQLI-MRXNPFEDSA-N 1 0 363.417 4.386 20 5 FIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccccc2OC(F)F)cc1 ZINC000462763735 1124502528 /nfs/dbraw/zinc/50/25/28/1124502528.db2.gz PCLYSRNJUDFHKJ-UHFFFAOYSA-N 1 0 350.365 4.309 20 5 FIBDRO C[N@H+](Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1)C1CCCCC1 ZINC000069526090 1124938747 /nfs/dbraw/zinc/93/87/47/1124938747.db2.gz CQULWJSAAPGMHL-UHFFFAOYSA-N 1 0 357.410 4.205 20 5 FIBDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1C ZINC000181837588 1125154154 /nfs/dbraw/zinc/15/41/54/1125154154.db2.gz MOTXZMJUHPFAKF-CYBMUJFWSA-N 1 0 361.467 4.179 20 5 FIBDRO C[C@H]1C[C@@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301748822 1125189500 /nfs/dbraw/zinc/18/95/00/1125189500.db2.gz SOWMJELOEDTRRJ-YOEHRIQHSA-N 1 0 374.872 4.133 20 5 FIBDRO O=[N+]([O-])c1ccc2nc(N3CCC(CCC[NH+]4CCCC4)CC3)ccc2c1 ZINC000301768562 1125224586 /nfs/dbraw/zinc/22/45/86/1125224586.db2.gz CHRYRLSKTHFADA-UHFFFAOYSA-N 1 0 368.481 4.235 20 5 FIBDRO CN1Cc2ccccc2[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000618986724 1125411472 /nfs/dbraw/zinc/41/14/72/1125411472.db2.gz RMNLDHXAXXEIOQ-PMACEKPBSA-N 1 0 351.450 4.094 20 5 FIBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618987550 1125412406 /nfs/dbraw/zinc/41/24/06/1125412406.db2.gz BZWKKNWMUXTAHJ-UAOJZALGSA-N 1 0 354.450 4.071 20 5 FIBDRO COc1ccc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000097473125 222183716 /nfs/dbraw/zinc/18/37/16/222183716.db2.gz XDOSBQCOYINENB-UHFFFAOYSA-N 1 0 365.433 4.464 20 5 FIBDRO CCN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000517900734 567836596 /nfs/dbraw/zinc/83/65/96/567836596.db2.gz VAOCCPZATYKCRX-FXAWDEMLSA-N 1 0 353.466 4.252 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1)C(C)C ZINC000481464115 567965722 /nfs/dbraw/zinc/96/57/22/567965722.db2.gz INGHTPJORRQJOQ-UHFFFAOYSA-N 1 0 369.465 4.064 20 5 FIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000541846793 567974778 /nfs/dbraw/zinc/97/47/78/567974778.db2.gz SLJYZCHWINLXMR-LBPRGKRZSA-N 1 0 373.840 4.026 20 5 FIBDRO C[C@@H](C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C)c1cccc([N+](=O)[O-])c1 ZINC000568584041 568071106 /nfs/dbraw/zinc/07/11/06/568071106.db2.gz BTHYCJIMLNHPRA-GFCCVEGCSA-N 1 0 364.405 4.101 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481701799 568092494 /nfs/dbraw/zinc/09/24/94/568092494.db2.gz FYBZIHHRESFMHF-IBGZPJMESA-N 1 0 358.825 4.270 20 5 FIBDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568651202 568107012 /nfs/dbraw/zinc/10/70/12/568107012.db2.gz OEOXDFHCEKSKNV-XLIONFOSSA-N 1 0 354.450 4.210 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OC ZINC000481835430 568146641 /nfs/dbraw/zinc/14/66/41/568146641.db2.gz ZNDHNGGDJHRKPR-UKRRQHHQSA-N 1 0 374.412 4.177 20 5 FIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000541951230 568272607 /nfs/dbraw/zinc/27/26/07/568272607.db2.gz CYQJEKXXKUQJLT-LPMFXHHGSA-N 1 0 356.426 4.218 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000569133827 568286794 /nfs/dbraw/zinc/28/67/94/568286794.db2.gz PQQJOXCYBSAJCX-IHWMJMDHSA-N 1 0 360.841 4.017 20 5 FIBDRO Cc1cc(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)cc([N+](=O)[O-])c1 ZINC000128763343 568295802 /nfs/dbraw/zinc/29/58/02/568295802.db2.gz SIOFKYKRTNNGDZ-UHFFFAOYSA-N 1 0 353.422 4.060 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2)nn1C ZINC000453074730 568388434 /nfs/dbraw/zinc/38/84/34/568388434.db2.gz TXNIVIRIKIRWEB-LSDHHAIUSA-N 1 0 350.422 4.407 20 5 FIBDRO Cc1ccc(CNCc2nc(-c3ccccc3F)cs2)cc1[N+](=O)[O-] ZINC000569515620 568404557 /nfs/dbraw/zinc/40/45/57/568404557.db2.gz LZSDGWSJIUFEBK-UHFFFAOYSA-N 1 0 357.410 4.456 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000570650047 568493637 /nfs/dbraw/zinc/49/36/37/568493637.db2.gz SNIFSZNQHAFVRW-GGPKGHCWSA-N 1 0 370.449 4.044 20 5 FIBDRO COc1ccc(COCCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000482250423 568528530 /nfs/dbraw/zinc/52/85/30/568528530.db2.gz ZQAQZEGIMFHODO-INIZCTEOSA-N 1 0 358.438 4.169 20 5 FIBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000093742174 1125506710 /nfs/dbraw/zinc/50/67/10/1125506710.db2.gz RQEQWAWKKXBKAR-MRXNPFEDSA-N 1 0 357.454 4.019 20 5 FIBDRO CCc1cnccc1[C@@H](C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000543052465 1125567091 /nfs/dbraw/zinc/56/70/91/1125567091.db2.gz NXDRVXVZCFZYIS-CQSZACIVSA-N 1 0 366.421 4.101 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000619531348 1125608822 /nfs/dbraw/zinc/60/88/22/1125608822.db2.gz QXDJHPDPOREKCC-NQIIRXRSSA-N 1 0 370.449 4.203 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000182720426 1125609681 /nfs/dbraw/zinc/60/96/81/1125609681.db2.gz GKMRWPJAARGDCV-HOCLYGCPSA-N 1 0 363.458 4.035 20 5 FIBDRO Cc1cc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)s1 ZINC000182985017 1125715868 /nfs/dbraw/zinc/71/58/68/1125715868.db2.gz CBRQJXRBKHHURF-JTQLQIEISA-N 1 0 367.858 4.216 20 5 FIBDRO COc1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c(C)c1OC ZINC000579767507 1079644526 /nfs/dbraw/zinc/64/45/26/1079644526.db2.gz JTUPSZLHEINURN-UHFFFAOYSA-N 1 0 358.438 4.033 20 5 FIBDRO C[NH+](C)CCOc1cc(NCc2ccccc2C2CC2)ccc1[N+](=O)[O-] ZINC001167052850 1079680949 /nfs/dbraw/zinc/68/09/49/1079680949.db2.gz XMGJHCWGWSMFGA-UHFFFAOYSA-N 1 0 355.438 4.025 20 5 FIBDRO C[C@H]([NH2+]CCCn1cccn1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000126971580 1080044234 /nfs/dbraw/zinc/04/42/34/1080044234.db2.gz BPLRYDJLPVJPPC-AWEZNQCLSA-N 1 0 356.451 4.261 20 5 FIBDRO CCOc1cc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000471242502 1080537004 /nfs/dbraw/zinc/53/70/04/1080537004.db2.gz GUJXKWSQFQECFS-KRWDZBQOSA-N 1 0 359.426 4.226 20 5 FIBDRO C[NH2+]Cc1cn(-c2ccc(-c3ccccc3[N+](=O)[O-])nn2)c2ccc(C)cc12 ZINC001167122350 1080618521 /nfs/dbraw/zinc/61/85/21/1080618521.db2.gz CDXCPRFAVHTLDI-UHFFFAOYSA-N 1 0 373.416 4.024 20 5 FIBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cccc(OC)c1 ZINC001167131148 1080660686 /nfs/dbraw/zinc/66/06/86/1080660686.db2.gz KWSHRMODPXDHSG-HNNXBMFYSA-N 1 0 371.437 4.015 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000510182834 1080743487 /nfs/dbraw/zinc/74/34/87/1080743487.db2.gz GLMIOPFBCNLDFO-HWKANZROSA-N 1 0 355.413 4.324 20 5 FIBDRO CCC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](=O)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000247186877 1080938646 /nfs/dbraw/zinc/93/86/46/1080938646.db2.gz UDWSRPQEMIRTBD-MUZNYLCMSA-N 1 0 352.500 4.105 20 5 FIBDRO COC[C@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(C)C ZINC000610271174 1080987188 /nfs/dbraw/zinc/98/71/88/1080987188.db2.gz CMRBOTPZDJABIS-SFHVURJKSA-N 1 0 357.454 4.123 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)ccc1Oc1ccc(F)cc1 ZINC000610271085 1080996047 /nfs/dbraw/zinc/99/60/47/1080996047.db2.gz XVXYFSFFTIIJBU-RHSMWYFYSA-N 1 0 374.412 4.167 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](O)Cc2ccccc2)s1 ZINC000238067304 1081155666 /nfs/dbraw/zinc/15/56/66/1081155666.db2.gz OSTZMXDZURIZTC-MRXNPFEDSA-N 1 0 368.458 4.017 20 5 FIBDRO Cc1cnc([C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C2CC2)s1 ZINC000121088470 1081403457 /nfs/dbraw/zinc/40/34/57/1081403457.db2.gz ZUZJRVVPEAYVJI-SFHVURJKSA-N 1 0 372.494 4.069 20 5 FIBDRO CC(=O)N1CCCCC[C@H]1C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000610369502 1081554050 /nfs/dbraw/zinc/55/40/50/1081554050.db2.gz FHXIORNRXUCVSY-JXFKEZNVSA-N 1 0 373.497 4.159 20 5 FIBDRO Cc1cc([C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2cccnc2)ccc1F ZINC000548066841 1081721416 /nfs/dbraw/zinc/72/14/16/1081721416.db2.gz KGYYIUSCEOQJHI-NRFANRHFSA-N 1 0 365.408 4.359 20 5 FIBDRO COc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000118998023 1081850049 /nfs/dbraw/zinc/85/00/49/1081850049.db2.gz OJIGRUNMPQIQMM-GFCCVEGCSA-N 1 0 366.364 4.364 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@H]3C3CCOCC3)o2)c1 ZINC000537464862 1082075352 /nfs/dbraw/zinc/07/53/52/1082075352.db2.gz ANNYVOWJNMMMEG-IBGZPJMESA-N 1 0 356.422 4.246 20 5 FIBDRO C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311547104 1082105806 /nfs/dbraw/zinc/10/58/06/1082105806.db2.gz OUOZAOGHOCYDRE-CRAIPNDOSA-N 1 0 373.884 4.248 20 5 FIBDRO C[C@H](c1ccccc1)N1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000581142668 1082341687 /nfs/dbraw/zinc/34/16/87/1082341687.db2.gz PPIPJEGPZOHRRY-IERDGZPVSA-N 1 0 365.477 4.397 20 5 FIBDRO Cc1cccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC001167457555 1082517840 /nfs/dbraw/zinc/51/78/40/1082517840.db2.gz FBAGQJHCPLBNNB-IBGZPJMESA-N 1 0 367.449 4.459 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000512151941 1082572354 /nfs/dbraw/zinc/57/23/54/1082572354.db2.gz JJAXMBDFRMGDJT-MRXNPFEDSA-N 1 0 355.221 4.115 20 5 FIBDRO CCC[C@H]([NH2+]C1CCN(C(=O)CC(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178082124 1082709193 /nfs/dbraw/zinc/70/91/93/1082709193.db2.gz QESRFTUBHNHXFN-IBGZPJMESA-N 1 0 361.486 4.063 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000581617871 1082712350 /nfs/dbraw/zinc/71/23/50/1082712350.db2.gz HNYXPKUPVHKEAM-AWEZNQCLSA-N 1 0 352.312 4.112 20 5 FIBDRO COc1ccc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1F ZINC000477267744 1082772227 /nfs/dbraw/zinc/77/22/27/1082772227.db2.gz INQKMDIHVKHCOW-UHFFFAOYSA-N 1 0 370.380 4.335 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000610538861 1082909430 /nfs/dbraw/zinc/90/94/30/1082909430.db2.gz ZATYOLOWTZFHIE-KXBFYZLASA-N 1 0 374.444 4.260 20 5 FIBDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000055909425 1082927318 /nfs/dbraw/zinc/92/73/18/1082927318.db2.gz INZZQVWQBFEPHC-GOSISDBHSA-N 1 0 364.405 4.290 20 5 FIBDRO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(OC)cc1 ZINC000610581573 1083209467 /nfs/dbraw/zinc/20/94/67/1083209467.db2.gz UPVRAHAVONWPKZ-UHFFFAOYSA-N 1 0 355.394 4.157 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+](Cc3ccc(F)cc3)CC3CC3)nc2c1 ZINC000610581722 1083214294 /nfs/dbraw/zinc/21/42/94/1083214294.db2.gz FZXLLNYBJMXVOJ-UHFFFAOYSA-N 1 0 355.369 4.287 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000510870425 1083349244 /nfs/dbraw/zinc/34/92/44/1083349244.db2.gz VDLMXTPPKOPKGH-OAHLLOKOSA-N 1 0 367.449 4.387 20 5 FIBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001167496446 1083525036 /nfs/dbraw/zinc/52/50/36/1083525036.db2.gz MBRADGCRQLZHDN-GXTWGEPZSA-N 1 0 373.316 4.463 20 5 FIBDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000510980808 1083557119 /nfs/dbraw/zinc/55/71/19/1083557119.db2.gz QYIQAVGHHNYWDJ-OALUTQOASA-N 1 0 356.397 4.397 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)s1 ZINC000535799212 1083675196 /nfs/dbraw/zinc/67/51/96/1083675196.db2.gz HAEWTTXBRLNZOP-PBHICJAKSA-N 1 0 358.463 4.324 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)o2)c1 ZINC000535808673 1083694189 /nfs/dbraw/zinc/69/41/89/1083694189.db2.gz QYXFMRVFTSDHBS-SJORKVTESA-N 1 0 356.422 4.103 20 5 FIBDRO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2)c1cccc([N+](=O)[O-])c1 ZINC000610799729 1083704232 /nfs/dbraw/zinc/70/42/32/1083704232.db2.gz LJVFTUYUSDQQIF-ACJLOTCBSA-N 1 0 353.422 4.281 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCF)o2)c(Br)c1 ZINC000136514629 1083736098 /nfs/dbraw/zinc/73/60/98/1083736098.db2.gz HCHFDYJYVXYMHQ-UHFFFAOYSA-N 1 0 357.179 4.067 20 5 FIBDRO Cc1noc(C[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277132252 1083773617 /nfs/dbraw/zinc/77/36/17/1083773617.db2.gz OQCCTHXXRSHEDV-KBXCAEBGSA-N 1 0 366.421 4.229 20 5 FIBDRO CCc1ccc([C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612407808 1083775187 /nfs/dbraw/zinc/77/51/87/1083775187.db2.gz NSDZXTJWUFYITN-PLMTUMEDSA-N 1 0 369.465 4.056 20 5 FIBDRO Cc1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1C[NH+](C)C ZINC000458313720 1083892849 /nfs/dbraw/zinc/89/28/49/1083892849.db2.gz JJQNHRNKOCMAFZ-CQSZACIVSA-N 1 0 373.478 4.084 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)o1 ZINC000136710553 1083903271 /nfs/dbraw/zinc/90/32/71/1083903271.db2.gz BBTJWHONDDLNSA-HNNXBMFYSA-N 1 0 356.422 4.436 20 5 FIBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000478008509 1083948454 /nfs/dbraw/zinc/94/84/54/1083948454.db2.gz FQIHEICQLWMWGV-HNNXBMFYSA-N 1 0 368.359 4.037 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@H](c4ccco4)C3)cs2)c1 ZINC000611271348 1084215342 /nfs/dbraw/zinc/21/53/42/1084215342.db2.gz TWAZOFSJAJBAPT-CQSZACIVSA-N 1 0 355.419 4.301 20 5 FIBDRO CC[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000188608854 1084268518 /nfs/dbraw/zinc/26/85/18/1084268518.db2.gz NPUJRXWFQFKEPY-CWRNSKLLSA-N 1 0 360.376 4.119 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cccc1[N+](=O)[O-] ZINC000177754005 1084284464 /nfs/dbraw/zinc/28/44/64/1084284464.db2.gz VLWVXFQKQZRTBJ-LSDHHAIUSA-N 1 0 369.421 4.272 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000539069760 1084303605 /nfs/dbraw/zinc/30/36/05/1084303605.db2.gz WORBNBUZQWADFW-GUYCJALGSA-N 1 0 373.840 4.013 20 5 FIBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1OC(F)F ZINC000539080856 1084309810 /nfs/dbraw/zinc/30/98/10/1084309810.db2.gz ZCWJKGARVFCLJW-NSHDSACASA-N 1 0 370.327 4.065 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000188619966 1084310746 /nfs/dbraw/zinc/31/07/46/1084310746.db2.gz VQPVDGMWEMOKNW-DUVNUKRYSA-N 1 0 360.376 4.037 20 5 FIBDRO Cn1ncc2ccc(C[NH2+][C@H]3CCCCc4ccc([N+](=O)[O-])cc43)cc21 ZINC000580300209 1084407950 /nfs/dbraw/zinc/40/79/50/1084407950.db2.gz ZKWFLEZVJWMXCI-IBGZPJMESA-N 1 0 350.422 4.039 20 5 FIBDRO O=[N+]([O-])c1cc(CN2CCCC[C@H]2c2ccccc2)c2c(c1)COCO2 ZINC000580866197 1084490954 /nfs/dbraw/zinc/49/09/54/1084490954.db2.gz GWCDHYRXZHYGKT-IBGZPJMESA-N 1 0 354.406 4.189 20 5 FIBDRO CCOCC(C)(C)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000581273525 1084527058 /nfs/dbraw/zinc/52/70/58/1084527058.db2.gz MIAYQKFRYZFLII-UHFFFAOYSA-N 1 0 362.426 4.016 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)s1 ZINC000551565891 1084679851 /nfs/dbraw/zinc/67/98/51/1084679851.db2.gz XOAVVAXNHITLAS-ZWKOTPCHSA-N 1 0 358.463 4.467 20 5 FIBDRO CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000582319299 1084684420 /nfs/dbraw/zinc/68/44/20/1084684420.db2.gz PKKVQTASGGLCMR-HNNXBMFYSA-N 1 0 370.453 4.048 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000178152540 1084744812 /nfs/dbraw/zinc/74/48/12/1084744812.db2.gz SVPWORJCYCEZOI-KGLIPLIRSA-N 1 0 353.422 4.200 20 5 FIBDRO CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582557074 1084759734 /nfs/dbraw/zinc/75/97/34/1084759734.db2.gz UNETVPLHSQGJQO-IBGZPJMESA-N 1 0 370.449 4.096 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCO[C@@H](c4ccco4)C3)o2)cc1 ZINC000180165518 1084783764 /nfs/dbraw/zinc/78/37/64/1084783764.db2.gz RQCRFCCRJWTHEW-LJQANCHMSA-N 1 0 354.362 4.021 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000582342193 1084891990 /nfs/dbraw/zinc/89/19/90/1084891990.db2.gz JMTHEOKOIOEECX-CVEARBPZSA-N 1 0 350.846 4.029 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(N2CCCC2)n1 ZINC000611590957 1084913895 /nfs/dbraw/zinc/91/38/95/1084913895.db2.gz FLWVZYUCYVBNMT-INIZCTEOSA-N 1 0 354.454 4.058 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@H](OC(F)F)C3)o2)c1 ZINC000611609592 1085028011 /nfs/dbraw/zinc/02/80/11/1085028011.db2.gz RFNHUNXXYSJYLB-AWEZNQCLSA-N 1 0 352.337 4.058 20 5 FIBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c1 ZINC000478907075 1085051365 /nfs/dbraw/zinc/05/13/65/1085051365.db2.gz ZPHFBPWMHJTGJJ-UHFFFAOYSA-N 1 0 371.437 4.006 20 5 FIBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000479396449 1085154596 /nfs/dbraw/zinc/15/45/96/1085154596.db2.gz PXIHMXZNIILVSF-OAHLLOKOSA-N 1 0 371.485 4.106 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] ZINC000479872331 1085326380 /nfs/dbraw/zinc/32/63/80/1085326380.db2.gz JFCUJDYZWIEOLA-YJBOKZPZSA-N 1 0 359.495 4.452 20 5 FIBDRO COc1ccccc1[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000479877905 1085329746 /nfs/dbraw/zinc/32/97/46/1085329746.db2.gz ZPBRPRPDHFGCEC-UZLBHIALSA-N 1 0 369.465 4.091 20 5 FIBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2n1C ZINC000091407459 1085382909 /nfs/dbraw/zinc/38/29/09/1085382909.db2.gz CYCBJLNJNLXKPJ-LBPRGKRZSA-N 1 0 358.829 4.028 20 5 FIBDRO C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000181758010 1085396956 /nfs/dbraw/zinc/39/69/56/1085396956.db2.gz QBBHVBLKUANREM-LLVKDONJSA-N 1 0 373.796 4.284 20 5 FIBDRO Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549532417 1085407395 /nfs/dbraw/zinc/40/73/95/1085407395.db2.gz UNQZXGYOGJSONG-OAHLLOKOSA-N 1 0 368.359 4.291 20 5 FIBDRO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)Cc1ccsc1 ZINC000187797742 1085556043 /nfs/dbraw/zinc/55/60/43/1085556043.db2.gz NHHNGPQRHNMUMG-ZDUSSCGKSA-N 1 0 372.450 4.159 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)c1ccc(OC(C)C)cc1 ZINC000125458024 1085574698 /nfs/dbraw/zinc/57/46/98/1085574698.db2.gz QZAVOVUEFVYZGZ-YWZLYKJASA-N 1 0 358.438 4.075 20 5 FIBDRO CCc1noc(-c2ccc(CC[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000178653765 1085676281 /nfs/dbraw/zinc/67/62/81/1085676281.db2.gz YRHAXPSZTOKCDP-AWEZNQCLSA-N 1 0 366.421 4.101 20 5 FIBDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)ccc2NC1=O ZINC000178661106 1085680728 /nfs/dbraw/zinc/68/07/28/1085680728.db2.gz XMKLDSSLWZFOBA-JCGVRSQUSA-N 1 0 369.421 4.116 20 5 FIBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167624685 1085793925 /nfs/dbraw/zinc/79/39/25/1085793925.db2.gz FDGMPNXSIPPSJK-UHFFFAOYSA-N 1 0 355.866 4.050 20 5 FIBDRO C[C@]1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)OCCc2sccc21 ZINC000572892609 1085913150 /nfs/dbraw/zinc/91/31/50/1085913150.db2.gz KUYLVUCZXXAQKB-FXAWDEMLSA-N 1 0 372.490 4.055 20 5 FIBDRO CC[NH+](CC)Cc1ccc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)cc1 ZINC000612864476 1085971137 /nfs/dbraw/zinc/97/11/37/1085971137.db2.gz LEQMYMKFKFSAMZ-UHFFFAOYSA-N 1 0 366.421 4.077 20 5 FIBDRO CCC[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000162254203 1086023729 /nfs/dbraw/zinc/02/37/29/1086023729.db2.gz VXUZCNCKYSGAIJ-NRFANRHFSA-N 1 0 368.481 4.085 20 5 FIBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662596766 1086500748 /nfs/dbraw/zinc/50/07/48/1086500748.db2.gz IWXCQQQDHCMPMQ-LJQANCHMSA-N 1 0 373.500 4.240 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(-n2nc(C)cc2C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000162810534 1086501741 /nfs/dbraw/zinc/50/17/41/1086501741.db2.gz FTGBELWWNSOKFE-IBGZPJMESA-N 1 0 365.437 4.033 20 5 FIBDRO C[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000432314459 1086504477 /nfs/dbraw/zinc/50/44/77/1086504477.db2.gz QQEFPHKATBKJAU-CYBMUJFWSA-N 1 0 368.462 4.063 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc([S@](C)=O)cc1 ZINC000278886668 1086530290 /nfs/dbraw/zinc/53/02/90/1086530290.db2.gz YIDCCTBIZUFNDL-JIRBFAAZSA-N 1 0 358.463 4.060 20 5 FIBDRO CCCC[N@H+](C)CC1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432340971 1086634293 /nfs/dbraw/zinc/63/42/93/1086634293.db2.gz RGAAZFUTOGZDHV-UHFFFAOYSA-N 1 0 356.470 4.091 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2CC(c3ccccc3)C2)n1 ZINC000549626369 1086745371 /nfs/dbraw/zinc/74/53/71/1086745371.db2.gz QQVHZGXGUBJISJ-JDGDGYACSA-N 1 0 354.454 4.058 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1noc2ccccc12 ZINC000583510509 1086756463 /nfs/dbraw/zinc/75/64/63/1086756463.db2.gz UGYASVCPNFMVCZ-WMLDXEAASA-N 1 0 351.406 4.237 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000583515701 1086761323 /nfs/dbraw/zinc/76/13/23/1086761323.db2.gz PSQXFPLLBBYCEZ-AHIWAGSCSA-N 1 0 361.392 4.330 20 5 FIBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000583757469 1086949248 /nfs/dbraw/zinc/94/92/48/1086949248.db2.gz RXJPZRXVTMTXAV-HNNXBMFYSA-N 1 0 371.485 4.106 20 5 FIBDRO CC[N@H+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)c1 ZINC000536187826 1087095855 /nfs/dbraw/zinc/09/58/55/1087095855.db2.gz GCCQBDNGHMQLRL-UHFFFAOYSA-N 1 0 365.380 4.260 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000584021502 1087115652 /nfs/dbraw/zinc/11/56/52/1087115652.db2.gz XKBGRSAEZRJWEU-YVGNARHYSA-N 1 0 365.433 4.234 20 5 FIBDRO CCCOc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])ccc1OC ZINC000584377811 1087301395 /nfs/dbraw/zinc/30/13/95/1087301395.db2.gz GNKBNJNIMFTLDQ-UHFFFAOYSA-N 1 0 358.438 4.067 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@@H]3CCCO3)cc2[N+](=O)[O-])cc1 ZINC000409635954 1087539302 /nfs/dbraw/zinc/53/93/02/1087539302.db2.gz AGINTLYAMLXZLU-INIZCTEOSA-N 1 0 358.463 4.323 20 5 FIBDRO Cc1c(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000611938133 1087595800 /nfs/dbraw/zinc/59/58/00/1087595800.db2.gz KJPREJIXPXLJAK-HXUWFJFHSA-N 1 0 353.466 4.220 20 5 FIBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CCc3c2c(Br)ccc3F)cc1 ZINC000180417504 1087899006 /nfs/dbraw/zinc/89/90/06/1087899006.db2.gz POJNVXDLCVXBHS-OAHLLOKOSA-N 1 0 365.202 4.274 20 5 FIBDRO Cc1noc(C)c1CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180500776 1087942166 /nfs/dbraw/zinc/94/21/66/1087942166.db2.gz TVKRLSDJPUKXJJ-HXUWFJFHSA-N 1 0 351.406 4.121 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000504917209 1087984262 /nfs/dbraw/zinc/98/42/62/1087984262.db2.gz BKVWSRUOKXGPJR-HOCLYGCPSA-N 1 0 356.422 4.210 20 5 FIBDRO Cc1nccn1CCCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180627115 1087992498 /nfs/dbraw/zinc/99/24/98/1087992498.db2.gz QBIDIRQDMDBKBG-NRFANRHFSA-N 1 0 364.449 4.259 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000504927868 1087994693 /nfs/dbraw/zinc/99/46/93/1087994693.db2.gz VQVSDEXVSXZEOO-NONVJHHQSA-N 1 0 364.511 4.259 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000504927867 1087995302 /nfs/dbraw/zinc/99/53/02/1087995302.db2.gz VQVSDEXVSXZEOO-LTCOOKNTSA-N 1 0 364.511 4.259 20 5 FIBDRO CCOCCC1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180994350 1088214470 /nfs/dbraw/zinc/21/44/70/1088214470.db2.gz FIHOQNCDBADFLO-FQEVSTJZSA-N 1 0 354.450 4.481 20 5 FIBDRO CC(C)c1nnc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000513827121 1088426223 /nfs/dbraw/zinc/42/62/23/1088426223.db2.gz JJHFTUNCWDCLDW-HIFRSBDPSA-N 1 0 360.483 4.071 20 5 FIBDRO COCC[C@@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414477576 1088704541 /nfs/dbraw/zinc/70/45/41/1088704541.db2.gz CRDNLYKQEPNSNV-GFCCVEGCSA-N 1 0 352.818 4.270 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@H](CO)C2)ccc1Oc1ccc(F)cc1 ZINC000414561355 1088815156 /nfs/dbraw/zinc/81/51/56/1088815156.db2.gz BDLMGCRUOUXHLJ-DOTOQJQBSA-N 1 0 374.412 4.167 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434896715 1089113621 /nfs/dbraw/zinc/11/36/21/1089113621.db2.gz QAHCFWVEYSRZSZ-QFBILLFUSA-N 1 0 367.449 4.110 20 5 FIBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000434901354 1089119009 /nfs/dbraw/zinc/11/90/09/1089119009.db2.gz VDGKKKVSTCGSAF-WMZOPIPTSA-N 1 0 367.449 4.110 20 5 FIBDRO CC[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000181556675 1089801256 /nfs/dbraw/zinc/80/12/56/1089801256.db2.gz RCLMXJUFWLPHOG-PMACEKPBSA-N 1 0 356.466 4.438 20 5 FIBDRO COc1ccc(O[C@H](C)C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000468634722 1089946316 /nfs/dbraw/zinc/94/63/16/1089946316.db2.gz HJSRVPCCHKTMCM-RBFDBLARSA-N 1 0 356.422 4.064 20 5 FIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000103466618 1090100938 /nfs/dbraw/zinc/10/09/38/1090100938.db2.gz COMLFENJIODWQH-ZDUSSCGKSA-N 1 0 355.369 4.255 20 5 FIBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(F)cc1F ZINC000181578872 1090174624 /nfs/dbraw/zinc/17/46/24/1090174624.db2.gz AVHRFOKIMNYYDJ-LBPRGKRZSA-N 1 0 373.359 4.421 20 5 FIBDRO CC(C)[N@H+](Cc1ccc(-c2cnn(C)c2)s1)Cc1ccc([N+](=O)[O-])cc1 ZINC000549401701 1090230836 /nfs/dbraw/zinc/23/08/36/1090230836.db2.gz VEOLIGNMSFCRTE-UHFFFAOYSA-N 1 0 370.478 4.467 20 5 FIBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCc1ccccc1 ZINC000104674595 1090293963 /nfs/dbraw/zinc/29/39/63/1090293963.db2.gz UVHSHBRURIIRNT-UHFFFAOYSA-N 1 0 365.433 4.357 20 5 FIBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000545489955 1090791358 /nfs/dbraw/zinc/79/13/58/1090791358.db2.gz QXJGSQXOYJXCJR-GTNSWQLSSA-N 1 0 352.793 4.253 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c(OC)c1 ZINC000417307494 1090800115 /nfs/dbraw/zinc/80/01/15/1090800115.db2.gz BSIIIFGBAWLXAU-LJQANCHMSA-N 1 0 356.422 4.169 20 5 FIBDRO CC(=O)Nc1ccc(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417314011 1090807288 /nfs/dbraw/zinc/80/72/88/1090807288.db2.gz QLOWYCCBBWQMFV-NRFANRHFSA-N 1 0 367.449 4.153 20 5 FIBDRO O=C(Nc1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1)C1CCC1 ZINC000566475638 1090864389 /nfs/dbraw/zinc/86/43/89/1090864389.db2.gz NYLYGXKTLBZDFT-IBGZPJMESA-N 1 0 365.433 4.111 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000162425847 1090907604 /nfs/dbraw/zinc/90/76/04/1090907604.db2.gz FVBFFWLFQRFSKE-MRXNPFEDSA-N 1 0 354.454 4.139 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000162425942 1090907928 /nfs/dbraw/zinc/90/79/28/1090907928.db2.gz FVBFFWLFQRFSKE-INIZCTEOSA-N 1 0 354.454 4.139 20 5 FIBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000584480240 1090972724 /nfs/dbraw/zinc/97/27/24/1090972724.db2.gz VCKMCCPYQGOSGT-BFUOFWGJSA-N 1 0 365.433 4.281 20 5 FIBDRO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500099847 1091037838 /nfs/dbraw/zinc/03/78/38/1091037838.db2.gz VGBLFXRSFBSNFT-IFXJQAMLSA-N 1 0 371.412 4.146 20 5 FIBDRO O=C(CC[N@@H+]1CCCCC[C@H]1c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000500111173 1091046311 /nfs/dbraw/zinc/04/63/11/1091046311.db2.gz ANDMICDYBFEMDW-KRWDZBQOSA-N 1 0 357.410 4.134 20 5 FIBDRO COC1(C(F)(F)F)CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000418095550 1091057696 /nfs/dbraw/zinc/05/76/96/1091057696.db2.gz GMKASCMKNHMFRT-JLHYYAGUSA-N 1 0 358.360 4.041 20 5 FIBDRO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)C[NH+]1CCCC1 ZINC000418152055 1091081550 /nfs/dbraw/zinc/08/15/50/1091081550.db2.gz XOSLOXJQXOFXJA-UHFFFAOYSA-N 1 0 374.510 4.025 20 5 FIBDRO Cc1cc(NCCC[N@H+]2CCCC[C@H]2C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001167751466 1091151472 /nfs/dbraw/zinc/15/14/72/1091151472.db2.gz IUPCSVFJKTVOOI-MRXNPFEDSA-N 1 0 369.469 4.037 20 5 FIBDRO COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000541555809 1091247594 /nfs/dbraw/zinc/24/75/94/1091247594.db2.gz NNRDBWMOXYQDJU-SGTLLEGYSA-N 1 0 364.829 4.123 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CSCCS3)s2)cc1 ZINC000759835520 1091276602 /nfs/dbraw/zinc/27/66/02/1091276602.db2.gz VOAARQFJZNNZNA-HNNXBMFYSA-N 1 0 366.533 4.262 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CSCCS2)s1 ZINC000759835106 1091279976 /nfs/dbraw/zinc/27/99/76/1091279976.db2.gz RXEGQCXXQIVVDC-ZDUSSCGKSA-N 1 0 366.533 4.262 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000566706656 1091373954 /nfs/dbraw/zinc/37/39/54/1091373954.db2.gz FBWUISQMJWNPQI-DUXKGJEZSA-N 1 0 365.477 4.110 20 5 FIBDRO Cn1cccc1[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549507577 1091501681 /nfs/dbraw/zinc/50/16/81/1091501681.db2.gz JUIHHGNTFMCEMG-INIZCTEOSA-N 1 0 353.344 4.289 20 5 FIBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000549512414 1091632649 /nfs/dbraw/zinc/63/26/49/1091632649.db2.gz CPDHQWHRRYWFQW-HOTGVXAUSA-N 1 0 354.454 4.080 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+](CCc3ccccc3)C3CC3)c2)cc1 ZINC000728899073 1091790768 /nfs/dbraw/zinc/79/07/68/1091790768.db2.gz BQQACQVMKNYKDS-UHFFFAOYSA-N 1 0 362.433 4.123 20 5 FIBDRO C[C@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000182142293 1091927134 /nfs/dbraw/zinc/92/71/34/1091927134.db2.gz JCVFYFUTUCLIKO-AWEZNQCLSA-N 1 0 356.422 4.401 20 5 FIBDRO CC(C)c1ccc(C[NH2+]CCOc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000520975914 1092404548 /nfs/dbraw/zinc/40/45/48/1092404548.db2.gz JRZJZTYAARMJNH-UHFFFAOYSA-N 1 0 350.365 4.165 20 5 FIBDRO Cc1sc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000500763081 1092535850 /nfs/dbraw/zinc/53/58/50/1092535850.db2.gz UOZMWSLUSDURKO-ZDUSSCGKSA-N 1 0 373.478 4.449 20 5 FIBDRO CC(C)C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1ccccc1 ZINC000521177793 1092553103 /nfs/dbraw/zinc/55/31/03/1092553103.db2.gz LDRRCJCIJARTOU-APWZRJJASA-N 1 0 369.465 4.090 20 5 FIBDRO Cc1cc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000500775445 1092556924 /nfs/dbraw/zinc/55/69/24/1092556924.db2.gz OXOMLEFMROVCIG-OAHLLOKOSA-N 1 0 367.449 4.387 20 5 FIBDRO CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000521380053 1092669393 /nfs/dbraw/zinc/66/93/93/1092669393.db2.gz ILANRISIPJKOMU-LPHOPBHVSA-N 1 0 369.465 4.090 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3(CCO)CCCC3)o2)c(Cl)c1 ZINC000512575123 1092952746 /nfs/dbraw/zinc/95/27/46/1092952746.db2.gz WBQYVMSNSDMFCQ-UHFFFAOYSA-N 1 0 364.829 4.293 20 5 FIBDRO CN1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@H]1c1cccs1 ZINC000522013416 1093028444 /nfs/dbraw/zinc/02/84/44/1093028444.db2.gz GPWFEEFNVUBUOT-ZTQAJYAQSA-N 1 0 371.506 4.316 20 5 FIBDRO CN1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[C@H]1c1cccs1 ZINC000522013414 1093029091 /nfs/dbraw/zinc/02/90/91/1093029091.db2.gz GPWFEEFNVUBUOT-LIVBEALHSA-N 1 0 371.506 4.316 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](c4ccccc4)C3)n2)c1 ZINC000433072069 1093194834 /nfs/dbraw/zinc/19/48/34/1093194834.db2.gz MZBZFYVTMBSLSI-QGZVFWFLSA-N 1 0 364.405 4.024 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCN(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000433090552 1093233394 /nfs/dbraw/zinc/23/33/94/1093233394.db2.gz IOZOESRRAKKGME-QZTJIDSGSA-N 1 0 353.466 4.470 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000433093987 1093241428 /nfs/dbraw/zinc/24/14/28/1093241428.db2.gz WQBANSOWYQMFBW-FEPNQTLGSA-N 1 0 368.477 4.062 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000433093990 1093241468 /nfs/dbraw/zinc/24/14/68/1093241468.db2.gz WQBANSOWYQMFBW-RYHLMMNBSA-N 1 0 368.477 4.062 20 5 FIBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCCO2 ZINC000433129686 1093306270 /nfs/dbraw/zinc/30/62/70/1093306270.db2.gz OQPLOLOXDONILB-ACJLOTCBSA-N 1 0 368.433 4.439 20 5 FIBDRO C[C@H](O)CCC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000433181625 1093382226 /nfs/dbraw/zinc/38/22/26/1093382226.db2.gz LPJFHLXAFNXUDJ-ZDUSSCGKSA-N 1 0 364.829 4.291 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]CCC[C@H](C)O)cc2[N+](=O)[O-])cc1 ZINC000433203992 1093412062 /nfs/dbraw/zinc/41/20/62/1093412062.db2.gz ZSRSDOWBQDHVHI-HNNXBMFYSA-N 1 0 360.479 4.305 20 5 FIBDRO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)on1 ZINC000509813221 1093421141 /nfs/dbraw/zinc/42/11/41/1093421141.db2.gz PPDFRCSUNWYXJX-QGZVFWFLSA-N 1 0 353.378 4.488 20 5 FIBDRO CC1(C)C[C@H]([NH2+]C2(c3ccc4c(c3)OCO4)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433230599 1093455854 /nfs/dbraw/zinc/45/58/54/1093455854.db2.gz VOBUUIBMCYEPFY-KRWDZBQOSA-N 1 0 366.417 4.325 20 5 FIBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000512879592 1093498476 /nfs/dbraw/zinc/49/84/76/1093498476.db2.gz GTNXKBQPRMVRQM-BMIGLBTASA-N 1 0 352.843 4.349 20 5 FIBDRO CC1(C)C[C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433304285 1093558743 /nfs/dbraw/zinc/55/87/43/1093558743.db2.gz MTVJXVQIOLLVQM-IBGZPJMESA-N 1 0 367.449 4.433 20 5 FIBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419325690 1093635781 /nfs/dbraw/zinc/63/57/81/1093635781.db2.gz LIYIVCCLLKWOPN-HZPDHXFCSA-N 1 0 358.442 4.291 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000419344003 1093706998 /nfs/dbraw/zinc/70/69/98/1093706998.db2.gz RKRRHUIARYPZSD-CQSZACIVSA-N 1 0 353.422 4.070 20 5 FIBDRO C[C@@H]1C[C@H](CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000542489150 1093717855 /nfs/dbraw/zinc/71/78/55/1093717855.db2.gz WXLVIEBRCDTFOH-LZJOCLMNSA-N 1 0 354.450 4.479 20 5 FIBDRO CCc1ccc([C@H]([NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414255464 1093798538 /nfs/dbraw/zinc/79/85/38/1093798538.db2.gz JPPLDZIMMUXBJF-VOMKJEOTSA-N 1 0 358.438 4.243 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000513124091 1093861407 /nfs/dbraw/zinc/86/14/07/1093861407.db2.gz ZFSVLBQLXAPVHB-BQHGXPCASA-N 1 0 366.417 4.216 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000151045957 1093876872 /nfs/dbraw/zinc/87/68/72/1093876872.db2.gz ZFMDFKHFDKWRBV-LJQANCHMSA-N 1 0 354.454 4.221 20 5 FIBDRO C[C@H]1[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC12CCOCC2 ZINC000542708870 1093883662 /nfs/dbraw/zinc/88/36/62/1093883662.db2.gz WNRCRGDSQMXCFO-OAHLLOKOSA-N 1 0 356.422 4.246 20 5 FIBDRO O=C(c1cc(F)ccc1F)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052873480 1093965185 /nfs/dbraw/zinc/96/51/85/1093965185.db2.gz PRPFYJQVXUVUID-UHFFFAOYSA-N 1 0 374.387 4.010 20 5 FIBDRO O=C(NCCCCCCC[NH+]1CCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000729340651 1093965906 /nfs/dbraw/zinc/96/59/06/1093965906.db2.gz KGGUNTOEACYKSG-UHFFFAOYSA-N 1 0 367.877 4.024 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000178869477 1093972593 /nfs/dbraw/zinc/97/25/93/1093972593.db2.gz MVFVXXIWXZYKRT-RTWAWAEBSA-N 1 0 366.392 4.147 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513246815 1094033922 /nfs/dbraw/zinc/03/39/22/1094033922.db2.gz DDEDYOHJOWZZQY-FOIQADDNSA-N 1 0 367.449 4.315 20 5 FIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H]2CCC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000513262122 1094035043 /nfs/dbraw/zinc/03/50/43/1094035043.db2.gz REUWDMQEFIZLLX-HHXXYDBFSA-N 1 0 367.449 4.156 20 5 FIBDRO COc1ccccc1O[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000513406684 1094105407 /nfs/dbraw/zinc/10/54/07/1094105407.db2.gz WERYKRTZLKSINB-HOTGVXAUSA-N 1 0 356.422 4.208 20 5 FIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000182643054 1094156881 /nfs/dbraw/zinc/15/68/81/1094156881.db2.gz BXLLKGPFFIAVPF-CYBMUJFWSA-N 1 0 353.378 4.020 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000182773325 1094158093 /nfs/dbraw/zinc/15/80/93/1094158093.db2.gz BUPQKPKWXSJQNA-MRXNPFEDSA-N 1 0 373.497 4.125 20 5 FIBDRO C[C@@]1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCCO1 ZINC000237362192 1094371115 /nfs/dbraw/zinc/37/11/15/1094371115.db2.gz XJBJZSCLXJYRNJ-IBGZPJMESA-N 1 0 360.385 4.185 20 5 FIBDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000509941861 1094393783 /nfs/dbraw/zinc/39/37/83/1094393783.db2.gz HLHQUMNBZMSZDP-INIZCTEOSA-N 1 0 368.462 4.224 20 5 FIBDRO CC[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000513703612 1094394730 /nfs/dbraw/zinc/39/47/30/1094394730.db2.gz XXECUNHXXMRWAV-JXFKEZNVSA-N 1 0 364.449 4.201 20 5 FIBDRO CC[N@H+](C)Cc1cccc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000413073608 1094425127 /nfs/dbraw/zinc/42/51/27/1094425127.db2.gz OSOHUCLJCPKHPA-UHFFFAOYSA-N 1 0 368.359 4.072 20 5 FIBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000544370683 1095013600 /nfs/dbraw/zinc/01/36/00/1095013600.db2.gz KELOATWCIFAWGY-GTNSWQLSSA-N 1 0 352.793 4.253 20 5 FIBDRO COc1cc(C)c(C[C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000502410254 1095433752 /nfs/dbraw/zinc/43/37/52/1095433752.db2.gz UYOQBMGGJFVTHT-HUUCEWRRSA-N 1 0 358.438 4.202 20 5 FIBDRO CC[C@H]1C[C@@]1([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(C)c1 ZINC000502482328 1095512571 /nfs/dbraw/zinc/51/25/71/1095512571.db2.gz QGAICAFVRCNIBW-XOBRGWDASA-N 1 0 350.422 4.195 20 5 FIBDRO CC[C@H]1C[C@@]1([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502484230 1095514229 /nfs/dbraw/zinc/51/42/29/1095514229.db2.gz WVHVOKMFRGYRSO-KKSFZXQISA-N 1 0 367.449 4.065 20 5 FIBDRO COc1cc(C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000016420001 1095635162 /nfs/dbraw/zinc/63/51/62/1095635162.db2.gz PVGSAQUTGOBIIW-LBPRGKRZSA-N 1 0 366.364 4.398 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2O ZINC000513791626 1096457970 /nfs/dbraw/zinc/45/79/70/1096457970.db2.gz RTKPQBQQQFSAAK-GDIGMMSISA-N 1 0 352.434 4.289 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000515432796 1098588041 /nfs/dbraw/zinc/58/80/41/1098588041.db2.gz JUPBOVNFWUHWAX-FPOVZHCZSA-N 1 0 364.445 4.266 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1ccc(F)cc1)C(C)C ZINC000532929521 1098601888 /nfs/dbraw/zinc/60/18/88/1098601888.db2.gz CTICINZVWRNQCS-UHFFFAOYSA-N 1 0 373.428 4.282 20 5 FIBDRO Cc1ccc([C@@H](C)[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000532931175 1098603608 /nfs/dbraw/zinc/60/36/08/1098603608.db2.gz VCZAPXMQLMNYRC-MRXNPFEDSA-N 1 0 355.438 4.152 20 5 FIBDRO CC[C@H](C)[C@@H](C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000532966465 1098635585 /nfs/dbraw/zinc/63/55/85/1098635585.db2.gz JHGWGKNAFOMNCU-NWDGAFQWSA-N 1 0 353.850 4.086 20 5 FIBDRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000459383848 1098642926 /nfs/dbraw/zinc/64/29/26/1098642926.db2.gz FZTDVCMTFHCKPA-NSHDSACASA-N 1 0 356.451 4.341 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000533046041 1098709908 /nfs/dbraw/zinc/70/99/08/1098709908.db2.gz DVIFOINVCHENPL-FQEVSTJZSA-N 1 0 371.412 4.112 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000515559211 1098720080 /nfs/dbraw/zinc/72/00/80/1098720080.db2.gz GEIVJGZDEBABFN-IBGZPJMESA-N 1 0 372.852 4.432 20 5 FIBDRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000533054659 1098721817 /nfs/dbraw/zinc/72/18/17/1098721817.db2.gz OJMCIWDEOGPGOG-LIRRHRJNSA-N 1 0 353.422 4.053 20 5 FIBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CC1CCCCC1 ZINC000533222903 1098887395 /nfs/dbraw/zinc/88/73/95/1098887395.db2.gz AFJTYDVQACQURS-LBPRGKRZSA-N 1 0 353.850 4.087 20 5 FIBDRO CCN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000505790633 1098913353 /nfs/dbraw/zinc/91/33/53/1098913353.db2.gz ODYPRGROIRYNKV-SJLPKXTDSA-N 1 0 371.456 4.391 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436313826 1098922549 /nfs/dbraw/zinc/92/25/49/1098922549.db2.gz CLQZZNIFMWBFKK-LBPRGKRZSA-N 1 0 360.380 4.075 20 5 FIBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000533290854 1098940166 /nfs/dbraw/zinc/94/01/66/1098940166.db2.gz SYNAJCITDRVXRZ-JFIYKMOQSA-N 1 0 367.449 4.047 20 5 FIBDRO CCOC(C)(C)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000436418034 1099002128 /nfs/dbraw/zinc/00/21/28/1099002128.db2.gz VLHGWBAAQNFNMQ-UHFFFAOYSA-N 1 0 362.401 4.431 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000533435535 1099055459 /nfs/dbraw/zinc/05/54/59/1099055459.db2.gz IAOYKGHLJPDULI-WMZOPIPTSA-N 1 0 367.449 4.110 20 5 FIBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000533435585 1099056439 /nfs/dbraw/zinc/05/64/39/1099056439.db2.gz LYBVWMIVCSHKDD-YJBOKZPZSA-N 1 0 367.449 4.110 20 5 FIBDRO COC[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CC1 ZINC000533528996 1099131352 /nfs/dbraw/zinc/13/13/52/1099131352.db2.gz QHADVFDTJTYQIV-QGZVFWFLSA-N 1 0 360.385 4.041 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]1/C=C\c1ccccc1 ZINC000505852638 1099142403 /nfs/dbraw/zinc/14/24/03/1099142403.db2.gz YIAYSMXDHAXTBO-SQVRQVGWSA-N 1 0 365.433 4.020 20 5 FIBDRO COc1cccc(NC2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000110036773 1099448379 /nfs/dbraw/zinc/44/83/79/1099448379.db2.gz RLEJDXCJKDSDKY-HNNXBMFYSA-N 1 0 355.438 4.241 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000516491007 1099522856 /nfs/dbraw/zinc/52/28/56/1099522856.db2.gz SBFBZBGNAGZFCM-FQEVSTJZSA-N 1 0 351.450 4.088 20 5 FIBDRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000459561376 1100306436 /nfs/dbraw/zinc/30/64/36/1100306436.db2.gz DPMJJVUQRIZVJM-NSHDSACASA-N 1 0 356.451 4.341 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000536833894 1100346953 /nfs/dbraw/zinc/34/69/53/1100346953.db2.gz OREOBBCAQAJXSZ-LNKGRISISA-N 1 0 366.461 4.460 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000536866242 1100383321 /nfs/dbraw/zinc/38/33/21/1100383321.db2.gz ZVUGNVLEIZLRBL-GFCCVEGCSA-N 1 0 350.365 4.165 20 5 FIBDRO Cc1noc(C[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c2ccccc2)n1 ZINC000517476582 1100422603 /nfs/dbraw/zinc/42/26/03/1100422603.db2.gz JXAGLGYNUFWCKN-AUUYWEPGSA-N 1 0 366.421 4.229 20 5 FIBDRO Cc1cc(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)ccc1[N+](=O)[O-] ZINC000438343444 1100613353 /nfs/dbraw/zinc/61/33/53/1100613353.db2.gz SEYCRNQBEWYUFI-UHFFFAOYSA-N 1 0 353.422 4.127 20 5 FIBDRO CN(CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000518271862 1101054896 /nfs/dbraw/zinc/05/48/96/1101054896.db2.gz NIONNIBQFIZMAX-UHFFFAOYSA-N 1 0 365.433 4.076 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCN(C3CCCC3)C2)s1 ZINC000518284639 1101067145 /nfs/dbraw/zinc/06/71/45/1101067145.db2.gz WAUZZICQWHYWTL-HNNXBMFYSA-N 1 0 371.506 4.430 20 5 FIBDRO CCCc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000426299432 1101226368 /nfs/dbraw/zinc/22/63/68/1101226368.db2.gz VWGMEGUGMLUNMJ-DOTOQJQBSA-N 1 0 357.454 4.345 20 5 FIBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000537135314 1101490689 /nfs/dbraw/zinc/49/06/89/1101490689.db2.gz RSHXSZIIHWPYFB-MRXNPFEDSA-N 1 0 363.417 4.386 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CCCc2nc(-c3cccs3)no2)cc1[N+](=O)[O-] ZINC000537177825 1101520240 /nfs/dbraw/zinc/52/02/40/1101520240.db2.gz XUBFTSGRMGZGMN-CYBMUJFWSA-N 1 0 372.450 4.298 20 5 FIBDRO CC(C)c1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000428532964 1101535965 /nfs/dbraw/zinc/53/59/65/1101535965.db2.gz HXEFIWYFSIKVNC-CTNGQTDRSA-N 1 0 372.440 4.113 20 5 FIBDRO CC[NH+](CC)[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccccc1 ZINC000518809547 1101603448 /nfs/dbraw/zinc/60/34/48/1101603448.db2.gz ZOVVGPYIOQWXTB-HNNXBMFYSA-N 1 0 371.466 4.095 20 5 FIBDRO Cc1ccccc1[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000537292506 1101613385 /nfs/dbraw/zinc/61/33/85/1101613385.db2.gz ZFYWRQBGCWEECV-LJQANCHMSA-N 1 0 373.840 4.236 20 5 FIBDRO CO[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(C)C ZINC000537313015 1101641628 /nfs/dbraw/zinc/64/16/28/1101641628.db2.gz VHFPTCDBSXMYGB-KRWDZBQOSA-N 1 0 352.818 4.269 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000537321072 1101651557 /nfs/dbraw/zinc/65/15/57/1101651557.db2.gz LTGNGWGGJMOGBX-HNNXBMFYSA-N 1 0 360.385 4.135 20 5 FIBDRO CC[C@H](c1cccc(OC)c1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000519026490 1101845379 /nfs/dbraw/zinc/84/53/79/1101845379.db2.gz OPTUVQVUJSCFNN-GOSISDBHSA-N 1 0 354.410 4.063 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000506710821 1101862007 /nfs/dbraw/zinc/86/20/07/1101862007.db2.gz JZSFURWFVKYOFY-GALSZHCDSA-N 1 0 358.463 4.351 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000152553061 1101905662 /nfs/dbraw/zinc/90/56/62/1101905662.db2.gz RQCMKNUZEFWPMP-YJBOKZPZSA-N 1 0 373.453 4.074 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001168192132 1102256297 /nfs/dbraw/zinc/25/62/97/1102256297.db2.gz IDSBPNXSXASJIP-JKSUJKDBSA-N 1 0 373.884 4.343 20 5 FIBDRO CN1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000550784080 1102283304 /nfs/dbraw/zinc/28/33/04/1102283304.db2.gz CYMSCOUQMWJFIN-RTBURBONSA-N 1 0 373.884 4.216 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000191603387 1102313959 /nfs/dbraw/zinc/31/39/59/1102313959.db2.gz SYHTXBVIRQQZGD-UHFFFAOYSA-N 1 0 355.438 4.157 20 5 FIBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H](C)c1ccc(F)cc1 ZINC000532486478 1102427927 /nfs/dbraw/zinc/42/79/27/1102427927.db2.gz FSOQXTMASVACLH-OAHLLOKOSA-N 1 0 373.428 4.454 20 5 FIBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000537649429 1102672227 /nfs/dbraw/zinc/67/22/27/1102672227.db2.gz LAPOVCFTJIIRCA-QGZVFWFLSA-N 1 0 369.465 4.019 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCc3c(O)cccc32)cc(C(F)(F)F)c1 ZINC000550902227 1102678540 /nfs/dbraw/zinc/67/85/40/1102678540.db2.gz PLWDKLYQWPYKCP-MRXNPFEDSA-N 1 0 366.339 4.486 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@H](C[NH+]4CCCCC4)C3)o2)c1 ZINC000537647937 1102682711 /nfs/dbraw/zinc/68/27/11/1102682711.db2.gz FBZHNOGSONLIGX-KRWDZBQOSA-N 1 0 369.465 4.163 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000537651174 1102704841 /nfs/dbraw/zinc/70/48/41/1102704841.db2.gz ZJGWZLNDHCEWHC-FUKWUPMWSA-N 1 0 352.434 4.147 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCN(c3ccccc3)C1)CCC2 ZINC000192658977 1102894921 /nfs/dbraw/zinc/89/49/21/1102894921.db2.gz SSDCRLZVBPNRFE-IIBYNOLFSA-N 1 0 351.450 4.088 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000551097101 1102913889 /nfs/dbraw/zinc/91/38/89/1102913889.db2.gz KQUZRGQLGZQUPV-UONOGXRCSA-N 1 0 373.419 4.217 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCCO3)o2)c(Cl)c1 ZINC000237816260 1102945940 /nfs/dbraw/zinc/94/59/40/1102945940.db2.gz SHJPAXRPEKXDHT-CYBMUJFWSA-N 1 0 350.802 4.167 20 5 FIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000506944010 1102985894 /nfs/dbraw/zinc/98/58/94/1102985894.db2.gz KDBKSXBNDMIUPS-VNHYZAJKSA-N 1 0 371.403 4.455 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000506980048 1102989187 /nfs/dbraw/zinc/98/91/87/1102989187.db2.gz VLKDZNANGAPASL-LJQANCHMSA-N 1 0 355.438 4.219 20 5 FIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000507008469 1103030763 /nfs/dbraw/zinc/03/07/63/1103030763.db2.gz UCPXSOKTUMSEHW-WBVHZDCISA-N 1 0 362.433 4.390 20 5 FIBDRO O=C(c1ccc(Cl)cc1)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000026719823 1103043115 /nfs/dbraw/zinc/04/31/15/1103043115.db2.gz YEUUQPZNONJXPE-UHFFFAOYSA-N 1 0 372.852 4.386 20 5 FIBDRO CC(C)(C)[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000507040816 1103057532 /nfs/dbraw/zinc/05/75/32/1103057532.db2.gz QOYMFMJXNFCDON-LJQANCHMSA-N 1 0 373.428 4.440 20 5 FIBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccccc1F)C1CCCCC1 ZINC001168266015 1103103506 /nfs/dbraw/zinc/10/35/06/1103103506.db2.gz ZVJODBMTQGILMS-UHFFFAOYSA-N 1 0 360.433 4.074 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3ccnc3)c(F)c1)CCC2 ZINC000192732216 1103323166 /nfs/dbraw/zinc/32/31/66/1103323166.db2.gz OHYQSSNPMFLNAH-LJQANCHMSA-N 1 0 366.396 4.087 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)s1 ZINC000551565890 1103367520 /nfs/dbraw/zinc/36/75/20/1103367520.db2.gz XOAVVAXNHITLAS-ROUUACIJSA-N 1 0 358.463 4.467 20 5 FIBDRO COCC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000507486361 1103433662 /nfs/dbraw/zinc/43/36/62/1103433662.db2.gz VKUKKQHKFPGDQI-NXHRZFHOSA-N 1 0 358.438 4.266 20 5 FIBDRO CCSc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000507554631 1103479471 /nfs/dbraw/zinc/47/94/71/1103479471.db2.gz VEGDXMPGGSVDEL-ZIAGYGMSSA-N 1 0 373.478 4.385 20 5 FIBDRO CC[C@@H](C)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000507695813 1103625904 /nfs/dbraw/zinc/62/59/04/1103625904.db2.gz XRZDBZZWRWCMJX-OAHLLOKOSA-N 1 0 366.421 4.446 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000729477441 1103711393 /nfs/dbraw/zinc/71/13/93/1103711393.db2.gz NSLBANPISXFMSA-UHFFFAOYSA-N 1 0 362.376 4.261 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CCO)c2ccco2)s1 ZINC000184515035 1104612223 /nfs/dbraw/zinc/61/22/23/1104612223.db2.gz OIOYLYHTSPZJFO-HNNXBMFYSA-N 1 0 358.419 4.130 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)ccc1Oc1ccc(F)cc1 ZINC000536338359 1104756924 /nfs/dbraw/zinc/75/69/24/1104756924.db2.gz GGMVGVYVVUUFHG-FXAWDEMLSA-N 1 0 372.396 4.183 20 5 FIBDRO C[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000520747958 1105193232 /nfs/dbraw/zinc/19/32/32/1105193232.db2.gz QWQMPFCUXFNOEI-CYBMUJFWSA-N 1 0 368.462 4.063 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000520754832 1105203618 /nfs/dbraw/zinc/20/36/18/1105203618.db2.gz FBNAXBJSANSZRU-CQSZACIVSA-N 1 0 357.376 4.068 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccccc1OC(F)F ZINC000530407350 1107011400 /nfs/dbraw/zinc/01/14/00/1107011400.db2.gz QTWYBSNQGJOAGK-ZDUSSCGKSA-N 1 0 350.365 4.398 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000451358068 1107051008 /nfs/dbraw/zinc/05/10/08/1107051008.db2.gz ZQLCWKXOLAVBEB-DJIMGWMZSA-N 1 0 372.387 4.129 20 5 FIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3nc4ccc(F)cc4o3)C2)cc1 ZINC000451545909 1107163454 /nfs/dbraw/zinc/16/34/54/1107163454.db2.gz HUVJWIGGXNTZON-CQSZACIVSA-N 1 0 355.369 4.255 20 5 FIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3nnc(-c4ccccc4)o3)C2)cc1 ZINC000451546392 1107167071 /nfs/dbraw/zinc/16/70/71/1107167071.db2.gz JFROACGATGQNEY-QGZVFWFLSA-N 1 0 364.405 4.024 20 5 FIBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237478298 1107273942 /nfs/dbraw/zinc/27/39/42/1107273942.db2.gz IIQPPXTYWBUVAV-UXHICEINSA-N 1 0 374.412 4.167 20 5 FIBDRO CCC[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000121347487 1107396484 /nfs/dbraw/zinc/39/64/84/1107396484.db2.gz FOOQZCITRCWZBO-IBGZPJMESA-N 1 0 354.454 4.090 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@]4(CCSC4)C3)o2)c1 ZINC000451986500 1107417459 /nfs/dbraw/zinc/41/74/59/1107417459.db2.gz XSEYPUCTZTXCDF-LJQANCHMSA-N 1 0 373.478 4.011 20 5 FIBDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000475508980 1107600689 /nfs/dbraw/zinc/60/06/89/1107600689.db2.gz PXSUADXAKWORFJ-UHFFFAOYSA-N 1 0 350.422 4.090 20 5 FIBDRO CCN(CC)C(=O)[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000531203849 1107645173 /nfs/dbraw/zinc/64/51/73/1107645173.db2.gz YHNKBCYOXNDDDV-OXQOHEQNSA-N 1 0 369.465 4.164 20 5 FIBDRO CO[C@]1(C)CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000475584044 1107806106 /nfs/dbraw/zinc/80/61/06/1107806106.db2.gz XSEMXURCBHTWGC-GOSISDBHSA-N 1 0 361.467 4.109 20 5 FIBDRO Cn1cc([C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(C)(C)C)cn1 ZINC000531444609 1107904818 /nfs/dbraw/zinc/90/48/18/1107904818.db2.gz SGNNSOIDUJZIDJ-IBGZPJMESA-N 1 0 368.437 4.465 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2C=CCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531556344 1107959563 /nfs/dbraw/zinc/95/95/63/1107959563.db2.gz LFZOEIMNLZCPNT-SFHVURJKSA-N 1 0 368.433 4.381 20 5 FIBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](C)C1 ZINC000520204189 1108020760 /nfs/dbraw/zinc/02/07/60/1108020760.db2.gz UCXJLOWSNZYXMP-HZPDHXFCSA-N 1 0 357.454 4.065 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000520208397 1108021168 /nfs/dbraw/zinc/02/11/68/1108021168.db2.gz RGSFAONKLHBWJT-INIZCTEOSA-N 1 0 357.454 4.209 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCc3cc(F)cc(F)c3)o2)c1 ZINC000520213218 1108052087 /nfs/dbraw/zinc/05/20/87/1108052087.db2.gz MEFIRIISTYRUPR-UHFFFAOYSA-N 1 0 358.344 4.465 20 5 FIBDRO COc1cc(C[NH2+]CC(C)(C)c2ccccc2Cl)c([N+](=O)[O-])cc1O ZINC000520216440 1108053790 /nfs/dbraw/zinc/05/37/90/1108053790.db2.gz HBIRHRIVNFZHCI-UHFFFAOYSA-N 1 0 364.829 4.030 20 5 FIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCC(C)CC1 ZINC000520221077 1108066983 /nfs/dbraw/zinc/06/69/83/1108066983.db2.gz LRTGKCQVJFJZEV-INIZCTEOSA-N 1 0 357.454 4.065 20 5 FIBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-c2ccncc2)cc1 ZINC000444684572 1108087862 /nfs/dbraw/zinc/08/78/62/1108087862.db2.gz NBYWKLZCQXJGTF-CQSZACIVSA-N 1 0 373.416 4.384 20 5 FIBDRO COc1cccc(N2CCC[C@@H]([NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000531712102 1108091637 /nfs/dbraw/zinc/09/16/37/1108091637.db2.gz JRAOTTJACDVACI-DLBZAZTESA-N 1 0 369.465 4.231 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444787192 1108185779 /nfs/dbraw/zinc/18/57/79/1108185779.db2.gz QGJSKUMLTUHXQB-SFHVURJKSA-N 1 0 368.477 4.281 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000520279258 1108276068 /nfs/dbraw/zinc/27/60/68/1108276068.db2.gz UCOYGFUUVCQICD-GOSISDBHSA-N 1 0 360.841 4.120 20 5 FIBDRO COc1cc(C[NH2+]C2(C3CC3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531864414 1108290464 /nfs/dbraw/zinc/29/04/64/1108290464.db2.gz VJGHGOQSWSNUHA-UHFFFAOYSA-N 1 0 368.433 4.215 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]4OCC[C@H]43)s2)cc1 ZINC000531864605 1108291120 /nfs/dbraw/zinc/29/11/20/1108291120.db2.gz QDOJSSKPTXFNTH-KSZLIROESA-N 1 0 358.463 4.371 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cccc(C(F)(F)F)n1)C1CC1 ZINC000453268922 1108344742 /nfs/dbraw/zinc/34/47/42/1108344742.db2.gz OUMGSLDIXMAJFO-HNNXBMFYSA-N 1 0 365.355 4.120 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000453318497 1108407850 /nfs/dbraw/zinc/40/78/50/1108407850.db2.gz MDIMPWBXOSBULG-CVEARBPZSA-N 1 0 364.511 4.404 20 5 FIBDRO CCC[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCCOC(C)C)CC1 ZINC000453358988 1108464777 /nfs/dbraw/zinc/46/47/77/1108464777.db2.gz MIBQXAXUSLNCLH-FQEVSTJZSA-N 1 0 364.486 4.342 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000532209635 1108712114 /nfs/dbraw/zinc/71/21/14/1108712114.db2.gz DUAVYXYOXNSFKY-HUUCEWRRSA-N 1 0 359.495 4.062 20 5 FIBDRO COc1ccc(CN2CCS[C@H](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000524037096 1108768186 /nfs/dbraw/zinc/76/81/86/1108768186.db2.gz UHLYSHINKSFVQG-KUHUBIRLSA-N 1 0 358.463 4.282 20 5 FIBDRO COc1ccc(OCC[NH2+][C@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])c1 ZINC000475693005 1108780260 /nfs/dbraw/zinc/78/02/60/1108780260.db2.gz HNQZTVNEKIBBGP-GFCCVEGCSA-N 1 0 374.368 4.218 20 5 FIBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CN1C1CC1 ZINC000237484920 1108781512 /nfs/dbraw/zinc/78/15/12/1108781512.db2.gz FYMMVWBMULHETE-UKRRQHHQSA-N 1 0 357.479 4.038 20 5 FIBDRO Cc1ccc(C[NH2+]CCc2cccc(OCC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000475631832 1108888837 /nfs/dbraw/zinc/88/88/37/1108888837.db2.gz COJZLVCYFAKQMN-UHFFFAOYSA-N 1 0 368.355 4.177 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000445991621 1109072105 /nfs/dbraw/zinc/07/21/05/1109072105.db2.gz HKJOHPTVEWMPME-MOPGFXCFSA-N 1 0 367.449 4.158 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000445991847 1109072111 /nfs/dbraw/zinc/07/21/11/1109072111.db2.gz NDUYHPFCHBDVBW-ICSRJNTNSA-N 1 0 367.449 4.158 20 5 FIBDRO CC1CCC(OC2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000524677437 1109116341 /nfs/dbraw/zinc/11/63/41/1109116341.db2.gz PMLJNDLSRMNKRK-UHFFFAOYSA-N 1 0 362.470 4.033 20 5 FIBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000446832917 1109355093 /nfs/dbraw/zinc/35/50/93/1109355093.db2.gz QRIMIYFMCIWZKN-INIZCTEOSA-N 1 0 352.818 4.005 20 5 FIBDRO C[C@H](CC(C)(C)c1ccccc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446853069 1109359382 /nfs/dbraw/zinc/35/93/82/1109359382.db2.gz NRGUEPODYJBPFF-CQSZACIVSA-N 1 0 352.438 4.317 20 5 FIBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCc2ccccc21 ZINC000508592725 1109500940 /nfs/dbraw/zinc/50/09/40/1109500940.db2.gz BOIBBRISSDIHOB-FQEVSTJZSA-N 1 0 368.433 4.361 20 5 FIBDRO COc1ccc(COCCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447527802 1109562047 /nfs/dbraw/zinc/56/20/47/1109562047.db2.gz FYHGDYFYYKUZOE-OAQYLSRUSA-N 1 0 370.449 4.177 20 5 FIBDRO CN(C)[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000447538481 1109572603 /nfs/dbraw/zinc/57/26/03/1109572603.db2.gz CFQGEYUVDSKDRJ-VQTJNVASSA-N 1 0 357.429 4.004 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(-c3ccccc3)o2)n1 ZINC000447564580 1109583445 /nfs/dbraw/zinc/58/34/45/1109583445.db2.gz XWRWELNJWJMSQA-ZWKOTPCHSA-N 1 0 366.421 4.325 20 5 FIBDRO Cc1ccc([C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)N2CCCC2)o1 ZINC000447564230 1109583536 /nfs/dbraw/zinc/58/35/36/1109583536.db2.gz VYHIGAORAWKVTB-VQTJNVASSA-N 1 0 369.465 4.300 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCc2cccc(Cl)c2)n1 ZINC000447578433 1109594476 /nfs/dbraw/zinc/59/44/76/1109594476.db2.gz FMMDSLGRRLGMJZ-IRXDYDNUSA-N 1 0 362.861 4.151 20 5 FIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)c1 ZINC000449097744 1109975958 /nfs/dbraw/zinc/97/59/58/1109975958.db2.gz MYLBJSWOSOQYJP-OAHLLOKOSA-N 1 0 365.202 4.274 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000449202969 1109998178 /nfs/dbraw/zinc/99/81/78/1109998178.db2.gz JOJAFJIYOGCRKO-XVGQJIODSA-N 1 0 360.841 4.299 20 5 FIBDRO CCO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C[C@H]1C ZINC000449496991 1110093399 /nfs/dbraw/zinc/09/33/99/1110093399.db2.gz QPSLVGCXWLVQPX-AUUYWEPGSA-N 1 0 374.437 4.110 20 5 FIBDRO CCOc1cccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000538736686 1111270735 /nfs/dbraw/zinc/27/07/35/1111270735.db2.gz WZBMMLBAVYOIPT-UHFFFAOYSA-N 1 0 356.422 4.037 20 5 FIBDRO Cc1cc(N2CCC([NH+]3CCCCC3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461780481 1111354229 /nfs/dbraw/zinc/35/42/29/1111354229.db2.gz NYYGVJMXPUEZFV-UHFFFAOYSA-N 1 0 371.403 4.377 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)cc1[N+](=O)[O-] ZINC000539070229 1111418771 /nfs/dbraw/zinc/41/87/71/1111418771.db2.gz BOIGOCPLEYHMJI-SFHVURJKSA-N 1 0 368.433 4.096 20 5 FIBDRO CC[NH+](CC)C[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000461952617 1111437844 /nfs/dbraw/zinc/43/78/44/1111437844.db2.gz FVGXKBYPFIOSKM-CYBMUJFWSA-N 1 0 359.392 4.090 20 5 FIBDRO Cc1cc(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461965187 1111443621 /nfs/dbraw/zinc/44/36/21/1111443621.db2.gz LYBNAJYEOGQDIA-AWEZNQCLSA-N 1 0 371.403 4.090 20 5 FIBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccnc2)cc1 ZINC000539335028 1111518142 /nfs/dbraw/zinc/51/81/42/1111518142.db2.gz SPQMAMWPMXJODH-INIZCTEOSA-N 1 0 363.417 4.386 20 5 FIBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000539326003 1111522413 /nfs/dbraw/zinc/52/24/13/1111522413.db2.gz KLWQWYPKZMWJIM-MRXNPFEDSA-N 1 0 363.417 4.386 20 5 FIBDRO CC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000539360176 1111536437 /nfs/dbraw/zinc/53/64/37/1111536437.db2.gz PJURHOYJZWXTBP-INIZCTEOSA-N 1 0 366.364 4.001 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000539365299 1111539504 /nfs/dbraw/zinc/53/95/04/1111539504.db2.gz OJOJYQYOYBAGJS-GOSISDBHSA-N 1 0 359.451 4.034 20 5 FIBDRO C[C@@H]1CCC[C@H](C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000552063887 1111563258 /nfs/dbraw/zinc/56/32/58/1111563258.db2.gz QNQNRSCLSWQGNF-LFEHRJTNSA-N 1 0 356.470 4.080 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+]CC(C)(C)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000552063503 1111563578 /nfs/dbraw/zinc/56/35/78/1111563578.db2.gz BFIDTVLNUGAYAA-GOSISDBHSA-N 1 0 356.470 4.224 20 5 FIBDRO CC[C@H]([NH2+]C[C@@](C)(Cc1ccccc1)[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000477853718 1111586359 /nfs/dbraw/zinc/58/63/59/1111586359.db2.gz MRWZABRICCNGGT-TYCQWZJGSA-N 1 0 356.466 4.265 20 5 FIBDRO CCc1nc2c(s1)[C@H]([N@H+](C)CCOc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000478051479 1111666622 /nfs/dbraw/zinc/66/66/22/1111666622.db2.gz CBSZQFXGWYSSND-MRXNPFEDSA-N 1 0 361.467 4.002 20 5 FIBDRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000478501276 1111795572 /nfs/dbraw/zinc/79/55/72/1111795572.db2.gz XPMWWOWXAWMAFH-QGZVFWFLSA-N 1 0 358.438 4.031 20 5 FIBDRO CC(=O)c1cc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000553076520 1111903197 /nfs/dbraw/zinc/90/31/97/1111903197.db2.gz PQBWISONBPABDB-AUUYWEPGSA-N 1 0 373.478 4.354 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000553285264 1111945439 /nfs/dbraw/zinc/94/54/39/1111945439.db2.gz SMCABMZHAXIRKR-NRFANRHFSA-N 1 0 367.449 4.363 20 5 FIBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000553510206 1111992178 /nfs/dbraw/zinc/99/21/78/1111992178.db2.gz XOOHAWZKTCPTBQ-SJLPKXTDSA-N 1 0 359.473 4.087 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)Cc3ccccc3)s2)cc1 ZINC000479423229 1112016044 /nfs/dbraw/zinc/01/60/44/1112016044.db2.gz MUZNLBFUKHWFLV-QGZVFWFLSA-N 1 0 368.458 4.017 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](C)C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000479585215 1112080242 /nfs/dbraw/zinc/08/02/42/1112080242.db2.gz CSPWGJRYTLLKMV-JTQLQIEISA-N 1 0 358.316 4.151 20 5 FIBDRO CCC[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000479748735 1112129176 /nfs/dbraw/zinc/12/91/76/1112129176.db2.gz DSNCZOBNWRFUBK-GOSISDBHSA-N 1 0 358.438 4.286 20 5 FIBDRO CC[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000480091043 1112275200 /nfs/dbraw/zinc/27/52/00/1112275200.db2.gz HZEKZDAQPJQSIH-OALUTQOASA-N 1 0 357.454 4.456 20 5 FIBDRO CC[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000480278554 1112370689 /nfs/dbraw/zinc/37/06/89/1112370689.db2.gz PAHYEOBISPWQIK-NHCUHLMSSA-N 1 0 353.466 4.473 20 5 FIBDRO CCC(=O)c1ccc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)c([N+](=O)[O-])c1 ZINC000480497308 1112448048 /nfs/dbraw/zinc/44/80/48/1112448048.db2.gz KRBPNODCNFREKC-QGZVFWFLSA-N 1 0 369.421 4.316 20 5 FIBDRO COCCC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCCC1 ZINC000480757547 1112589797 /nfs/dbraw/zinc/58/97/97/1112589797.db2.gz LZQRMUJDRFREKQ-IBGZPJMESA-N 1 0 360.498 4.493 20 5 FIBDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000555104620 1112670260 /nfs/dbraw/zinc/67/02/60/1112670260.db2.gz JHJOJMDUXBUBDI-GOSISDBHSA-N 1 0 360.479 4.210 20 5 FIBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555524410 1112910602 /nfs/dbraw/zinc/91/06/02/1112910602.db2.gz KSXOGQYHBLWEMN-JSGCOSHPSA-N 1 0 360.376 4.129 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000600185331 1112919059 /nfs/dbraw/zinc/91/90/59/1112919059.db2.gz LAGWPRDIWCEAST-GDNBJRDFSA-N 1 0 366.465 4.144 20 5 FIBDRO CC1(C)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]2CCC[C@@H]21 ZINC000555721352 1112978535 /nfs/dbraw/zinc/97/85/35/1112978535.db2.gz LNMNNRVKNBLXBB-IRXDYDNUSA-N 1 0 355.438 4.303 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000482358517 1113232151 /nfs/dbraw/zinc/23/21/51/1113232151.db2.gz MPTUAIXPXLQLKQ-YQVWRLOYSA-N 1 0 353.466 4.389 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CCC2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000159986909 1113277746 /nfs/dbraw/zinc/27/77/46/1113277746.db2.gz XHZJYNNCFXHTBB-AWEZNQCLSA-N 1 0 373.419 4.218 20 5 FIBDRO COc1cc(OC)c([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000482516198 1113282098 /nfs/dbraw/zinc/28/20/98/1113282098.db2.gz WVBKSYHPPLHLFD-GFCCVEGCSA-N 1 0 364.829 4.159 20 5 FIBDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000160041316 1113286759 /nfs/dbraw/zinc/28/67/59/1113286759.db2.gz GXNLJYKFARYBJA-KRWDZBQOSA-N 1 0 368.481 4.289 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@@H](c2c(F)cccc2F)N(C)C)cccc1[N+](=O)[O-] ZINC000483144098 1113452866 /nfs/dbraw/zinc/45/28/66/1113452866.db2.gz QYDBZZBWVTZHPC-UGSOOPFHSA-N 1 0 363.408 4.135 20 5 FIBDRO CCC[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)NC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000483151243 1113455053 /nfs/dbraw/zinc/45/50/53/1113455053.db2.gz ZVKAZWLNKXJTNG-LMMKCTJWSA-N 1 0 361.486 4.109 20 5 FIBDRO COc1cccc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000483151674 1113455677 /nfs/dbraw/zinc/45/56/77/1113455677.db2.gz AQFOFXUGGBAPST-SJLPKXTDSA-N 1 0 369.465 4.231 20 5 FIBDRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000028164927 1113859822 /nfs/dbraw/zinc/85/98/22/1113859822.db2.gz WHSOGBUXURDNMA-UHFFFAOYSA-N 1 0 359.813 4.096 20 5 FIBDRO CC(C)[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000246651126 1113899146 /nfs/dbraw/zinc/89/91/46/1113899146.db2.gz BWNCHOFQZCSZEZ-CABCVRRESA-N 1 0 358.442 4.464 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000488501783 1113943521 /nfs/dbraw/zinc/94/35/21/1113943521.db2.gz LQNINPKOWUSSBR-QWHCGFSZSA-N 1 0 361.829 4.316 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCn2cnc3ccccc32)c2ccccc2)c1 ZINC000490184511 1114225564 /nfs/dbraw/zinc/22/55/64/1114225564.db2.gz LDXOLPGUZRXTKI-JOCHJYFZSA-N 1 0 372.428 4.324 20 5 FIBDRO CC[C@@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000490171811 1114229967 /nfs/dbraw/zinc/22/99/67/1114229967.db2.gz ILTLODXSYOQTJD-PZJWPPBQSA-N 1 0 353.466 4.148 20 5 FIBDRO Cc1cc(Cl)ccc1NC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490848392 1114342463 /nfs/dbraw/zinc/34/24/63/1114342463.db2.gz WERCCNQTFRDHDZ-UHFFFAOYSA-N 1 0 373.840 4.160 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000491095629 1114373090 /nfs/dbraw/zinc/37/30/90/1114373090.db2.gz ZUODJRRRWWCVLY-JSGCOSHPSA-N 1 0 370.396 4.012 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1N1CCCCC1 ZINC000571225295 1114448414 /nfs/dbraw/zinc/44/84/14/1114448414.db2.gz YCAYLSYBZUMNTC-LJQANCHMSA-N 1 0 351.450 4.362 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000164405264 1114494159 /nfs/dbraw/zinc/49/41/59/1114494159.db2.gz BWQGBMCALDQRTN-LJQANCHMSA-N 1 0 371.412 4.208 20 5 FIBDRO Cc1ccc2c(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1C ZINC000056197214 1114658829 /nfs/dbraw/zinc/65/88/29/1114658829.db2.gz LKAQVQJEQBEUGT-CQSZACIVSA-N 1 0 352.390 4.169 20 5 FIBDRO CCc1ccc2c(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1 ZINC000056197174 1114658877 /nfs/dbraw/zinc/65/88/77/1114658877.db2.gz NDLIRIRQFYZQLQ-ZDUSSCGKSA-N 1 0 352.390 4.114 20 5 FIBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1ccncc1Cl ZINC001212159792 1114804138 /nfs/dbraw/zinc/80/41/38/1114804138.db2.gz BFDSRNDECMSZDO-UHFFFAOYSA-N 1 0 364.836 4.292 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000590170157 1114907203 /nfs/dbraw/zinc/90/72/03/1114907203.db2.gz AZPZYVKIFGTACT-ZIAGYGMSSA-N 1 0 372.387 4.252 20 5 FIBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc2)C1 ZINC000046156240 1115193023 /nfs/dbraw/zinc/19/30/23/1115193023.db2.gz ADUNEBXFRGQFGJ-ZDUSSCGKSA-N 1 0 359.451 4.141 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(c2ccccc2F)CCC1 ZINC000592144901 1115208438 /nfs/dbraw/zinc/20/84/38/1115208438.db2.gz PZNNIHUNYWUXQG-UHFFFAOYSA-N 1 0 371.412 4.040 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000592185358 1115222365 /nfs/dbraw/zinc/22/23/65/1115222365.db2.gz YAAMIMUPVJZWON-UHFFFAOYSA-N 1 0 373.840 4.164 20 5 FIBDRO C[C@@H]1CC2(C[N@@H+]1Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CCOCC2 ZINC000592529175 1115241075 /nfs/dbraw/zinc/24/10/75/1115241075.db2.gz YLMMOMZSHNPAOT-OAHLLOKOSA-N 1 0 356.422 4.246 20 5 FIBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000592398777 1115296400 /nfs/dbraw/zinc/29/64/00/1115296400.db2.gz TZGDPUDLWJTVKK-CDHQVMDDSA-N 1 0 367.449 4.222 20 5 FIBDRO Cc1nn(-c2ccccc2F)cc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000594498416 1115451085 /nfs/dbraw/zinc/45/10/85/1115451085.db2.gz PIVZFFVJMMKHQI-AWEZNQCLSA-N 1 0 368.412 4.387 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000594516764 1115458200 /nfs/dbraw/zinc/45/82/00/1115458200.db2.gz FLQPOYXWTOGENS-QWHCGFSZSA-N 1 0 369.412 4.116 20 5 FIBDRO COc1cccc2c1OCC[C@H]2[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000594520422 1115459438 /nfs/dbraw/zinc/45/94/38/1115459438.db2.gz PJVVFFJRZSBURU-RHSMWYFYSA-N 1 0 356.422 4.038 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCC4(CCCC4)O3)cs2)c1 ZINC000594523601 1115459871 /nfs/dbraw/zinc/45/98/71/1115459871.db2.gz SEXWJSQTYBTNFA-KRWDZBQOSA-N 1 0 373.478 4.300 20 5 FIBDRO COC[C@@H](C)Oc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000594941846 1115501409 /nfs/dbraw/zinc/50/14/09/1115501409.db2.gz VHNCJDVFZNJHCB-HZPDHXFCSA-N 1 0 358.438 4.168 20 5 FIBDRO CC[C@@H](COCC1CC1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594957985 1115502732 /nfs/dbraw/zinc/50/27/32/1115502732.db2.gz XKWLMYMYKKSSFH-HNNXBMFYSA-N 1 0 361.467 4.013 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000595010685 1115503640 /nfs/dbraw/zinc/50/36/40/1115503640.db2.gz DGPCVOZTOCVKRQ-LSDHHAIUSA-N 1 0 366.421 4.201 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000595015894 1115504096 /nfs/dbraw/zinc/50/40/96/1115504096.db2.gz VKFJVSGFZPDYEL-UVFQYZLESA-N 1 0 356.422 4.032 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000595004670 1115507249 /nfs/dbraw/zinc/50/72/49/1115507249.db2.gz RFLYMOLLRKGPRJ-LLVKDONJSA-N 1 0 352.337 4.056 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000595004491 1115507642 /nfs/dbraw/zinc/50/76/42/1115507642.db2.gz AMIPWAIHGQJJTL-HZUJVAHNSA-N 1 0 370.449 4.422 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCc1noc2ccccc12 ZINC000595047158 1115511742 /nfs/dbraw/zinc/51/17/42/1115511742.db2.gz AZBHXMIRSGHBNU-CRAIPNDOSA-N 1 0 365.433 4.280 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CCC2CC(OC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595051470 1115512243 /nfs/dbraw/zinc/51/22/43/1115512243.db2.gz VCGAQWKSMQPGDF-OQRDJCCKSA-N 1 0 358.438 4.244 20 5 FIBDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000595084743 1115517634 /nfs/dbraw/zinc/51/76/34/1115517634.db2.gz ITGXPHLWVKOUFZ-RYGJVYDSSA-N 1 0 368.481 4.052 20 5 FIBDRO CC(C)[C@H](O)[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000595097399 1115518105 /nfs/dbraw/zinc/51/81/05/1115518105.db2.gz VPMFKORGFZPIKR-HKBOAZHASA-N 1 0 354.450 4.320 20 5 FIBDRO CCOc1cc(CN(C)Cc2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000046777062 1115528320 /nfs/dbraw/zinc/52/83/20/1115528320.db2.gz ZIOLUMKTVIONLH-UHFFFAOYSA-N 1 0 366.364 4.227 20 5 FIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)n1 ZINC000595483665 1115536405 /nfs/dbraw/zinc/53/64/05/1115536405.db2.gz XSUXKBDSPMRXAG-SJLPKXTDSA-N 1 0 354.454 4.012 20 5 FIBDRO Cc1noc(C[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000595489466 1115537089 /nfs/dbraw/zinc/53/70/89/1115537089.db2.gz AWJOIAZYGQOVIC-ZIAGYGMSSA-N 1 0 369.343 4.336 20 5 FIBDRO C[NH+](C)C1CCC2(CC1)CCN(c1ccc([N+](=O)[O-])c3cnccc31)CC2 ZINC000596255760 1115581888 /nfs/dbraw/zinc/58/18/88/1115581888.db2.gz TWHXZPPFLRRHPN-UHFFFAOYSA-N 1 0 368.481 4.234 20 5 FIBDRO Cc1cc(N2CCC([C@H]3CCCCO3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596497445 1115597170 /nfs/dbraw/zinc/59/71/70/1115597170.db2.gz SNNBOXKAPOTIIE-HXUWFJFHSA-N 1 0 355.438 4.237 20 5 FIBDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000060890111 1115725391 /nfs/dbraw/zinc/72/53/91/1115725391.db2.gz SUYLYQGONONOJN-ZDUSSCGKSA-N 1 0 353.850 4.087 20 5 FIBDRO CC(C)c1ccc(C[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)cc1[N+](=O)[O-] ZINC000061014941 1115749669 /nfs/dbraw/zinc/74/96/69/1115749669.db2.gz CHTLARKIHYFDJE-FQEVSTJZSA-N 1 0 359.445 4.250 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)cc1[N+](=O)[O-] ZINC000599035997 1115780799 /nfs/dbraw/zinc/78/07/99/1115780799.db2.gz XCWLUJABVVHNIE-HNNXBMFYSA-N 1 0 350.777 4.173 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+]CC(C1CCC1)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000599058464 1115785255 /nfs/dbraw/zinc/78/52/55/1115785255.db2.gz VGDXOIDKUQFHNU-HXUWFJFHSA-N 1 0 368.481 4.224 20 5 FIBDRO C[C@H](Nc1ccc2cnccc2c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000599066954 1115786567 /nfs/dbraw/zinc/78/65/67/1115786567.db2.gz VJVNNASEMWZBHB-GOEBONIOSA-N 1 0 354.454 4.208 20 5 FIBDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2 ZINC000593675810 1115788388 /nfs/dbraw/zinc/78/83/88/1115788388.db2.gz CTYUHPMJFBTSSK-HXUWFJFHSA-N 1 0 362.433 4.081 20 5 FIBDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2 ZINC000593675809 1115788400 /nfs/dbraw/zinc/78/84/00/1115788400.db2.gz CTYUHPMJFBTSSK-FQEVSTJZSA-N 1 0 362.433 4.081 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](c2ccc(OC)nc2)C2CC2)cc1[N+](=O)[O-] ZINC000599095993 1115789266 /nfs/dbraw/zinc/78/92/66/1115789266.db2.gz KCIILGFBIZDBPX-RNODOKPDSA-N 1 0 371.437 4.199 20 5 FIBDRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603786736 1115816138 /nfs/dbraw/zinc/81/61/38/1115816138.db2.gz GVAAWDLIHXDWLE-UHFFFAOYSA-N 1 0 365.389 4.189 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000599640065 1115833315 /nfs/dbraw/zinc/83/33/15/1115833315.db2.gz AKIOQYXCKSLFMN-CQSZACIVSA-N 1 0 370.453 4.261 20 5 FIBDRO O=[N+]([O-])c1ccc(OCCCN(Cc2ccco2)Cc2ccco2)cc1 ZINC000604012618 1115840969 /nfs/dbraw/zinc/84/09/69/1115840969.db2.gz WSMYYSDGEXYUOF-UHFFFAOYSA-N 1 0 356.378 4.252 20 5 FIBDRO Cc1ccc([C@H](C)[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)c1 ZINC000604081446 1115846767 /nfs/dbraw/zinc/84/67/67/1115846767.db2.gz UDOHPQIARCJZPW-HNNXBMFYSA-N 1 0 356.422 4.271 20 5 FIBDRO CC(=O)c1ccc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000604472624 1115866243 /nfs/dbraw/zinc/86/62/43/1115866243.db2.gz KUYSPPCPVYOEKS-SFHVURJKSA-N 1 0 367.449 4.122 20 5 FIBDRO COc1ccc(C[N@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000604521700 1115867462 /nfs/dbraw/zinc/86/74/62/1115867462.db2.gz UJHYDMFCVYLCPC-NQIIRXRSSA-N 1 0 370.449 4.203 20 5 FIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)C2CCC(F)(F)CC2)cccc1[N+](=O)[O-] ZINC000594044390 1115977744 /nfs/dbraw/zinc/97/77/44/1115977744.db2.gz PJKCZBQAXDOKIJ-QWHCGFSZSA-N 1 0 369.412 4.034 20 5 FIBDRO COc1ccccc1[C@H](CNc1ccsc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000063263252 1116030007 /nfs/dbraw/zinc/03/00/07/1116030007.db2.gz VOWOILKYKFQEBI-INIZCTEOSA-N 1 0 361.467 4.304 20 5 FIBDRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000173406689 1116061491 /nfs/dbraw/zinc/06/14/91/1116061491.db2.gz MUJUDAASPODABY-QFYYESIMSA-N 1 0 355.221 4.286 20 5 FIBDRO C[C@H]([NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000173426562 1116065703 /nfs/dbraw/zinc/06/57/03/1116065703.db2.gz QLWXGTNEUHEVKO-QFYYESIMSA-N 1 0 355.221 4.286 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)c1ccccc1OC ZINC000608782154 1116128438 /nfs/dbraw/zinc/12/84/38/1116128438.db2.gz IYKNTYHLQWHDQN-UHFFFAOYSA-N 1 0 358.438 4.070 20 5 FIBDRO CN(C)[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000608835488 1116130983 /nfs/dbraw/zinc/13/09/83/1116130983.db2.gz NEIQCLBHDHIXGS-FQEVSTJZSA-N 1 0 365.433 4.247 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCOc3cccc(F)c3)o2)c1 ZINC000608836044 1116131145 /nfs/dbraw/zinc/13/11/45/1116131145.db2.gz FBYAPLHDFMZSRY-UHFFFAOYSA-N 1 0 356.353 4.163 20 5 FIBDRO Cc1ccc(C[NH2+]C[C@H]2CCN(c3cc(Cl)ccc3C)C2)cc1[N+](=O)[O-] ZINC000608837944 1116131420 /nfs/dbraw/zinc/13/14/20/1116131420.db2.gz ZZATZEASVQYOSH-QGZVFWFLSA-N 1 0 373.884 4.481 20 5 FIBDRO CSc1ccc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1[N+](=O)[O-] ZINC000456270076 1116173477 /nfs/dbraw/zinc/17/34/77/1116173477.db2.gz VBVUGFXAMWJSTO-MRXNPFEDSA-N 1 0 371.462 4.118 20 5 FIBDRO CC(C)(C)OC(=O)C1CCC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000539521677 1116337294 /nfs/dbraw/zinc/33/72/94/1116337294.db2.gz FUUWIZWFBGRHOI-VURMDHGXSA-N 1 0 360.454 4.098 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H]3C3CCOCC3)cs2)c1 ZINC000539670263 1116363612 /nfs/dbraw/zinc/36/36/12/1116363612.db2.gz SJEYWXCZMDZXJS-GOSISDBHSA-N 1 0 373.478 4.109 20 5 FIBDRO Cc1ccc(O[C@@H](C)C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000462733007 1117739794 /nfs/dbraw/zinc/73/97/94/1117739794.db2.gz GDRJHWAEESSBFB-ZDUSSCGKSA-N 1 0 366.364 4.062 20 5 FIBDRO COc1cc(NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000462805918 1117787577 /nfs/dbraw/zinc/78/75/77/1117787577.db2.gz WGDMFAIWRYYDDQ-LJQANCHMSA-N 1 0 355.438 4.161 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000462814898 1117792878 /nfs/dbraw/zinc/79/28/78/1117792878.db2.gz QHYGFIBATUPKNY-HOTGVXAUSA-N 1 0 357.429 4.219 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCN(c3ccccc3F)C1)CCC2 ZINC000462820325 1117796046 /nfs/dbraw/zinc/79/60/46/1117796046.db2.gz XXWGROILBVJAEX-FOIQADDNSA-N 1 0 369.440 4.227 20 5 FIBDRO O=[N+]([O-])c1ccc(NCCCCC[NH+]2CCCCC2)cc1OC(F)F ZINC000462835074 1117804274 /nfs/dbraw/zinc/80/42/74/1117804274.db2.gz AGHHVDDCPWKKDE-UHFFFAOYSA-N 1 0 357.401 4.264 20 5 FIBDRO CO[C@](C)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 ZINC000462907967 1117853396 /nfs/dbraw/zinc/85/33/96/1117853396.db2.gz WXOAXQWZXFVSEL-GOSISDBHSA-N 1 0 364.829 4.413 20 5 FIBDRO C[C@]1([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCCOC1 ZINC000540068396 1117854653 /nfs/dbraw/zinc/85/46/53/1117854653.db2.gz BCHJOZKBIARYKR-IBGZPJMESA-N 1 0 360.385 4.185 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)cc1 ZINC000540189508 1117921618 /nfs/dbraw/zinc/92/16/18/1117921618.db2.gz DINPXPDZKNNNAZ-INIZCTEOSA-N 1 0 365.202 4.274 20 5 FIBDRO C[C@@H]([NH2+]CCc1nc2ccccc2n1C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000540177755 1117922765 /nfs/dbraw/zinc/92/27/65/1117922765.db2.gz REKMOCBHMYMCEZ-GFCCVEGCSA-N 1 0 360.364 4.233 20 5 FIBDRO C[C@H](c1ccsc1)[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000463063464 1117947861 /nfs/dbraw/zinc/94/78/61/1117947861.db2.gz VBGQRCRSNKVNTC-MQDFFIGUSA-N 1 0 357.479 4.048 20 5 FIBDRO Cc1cnc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000463058032 1117951975 /nfs/dbraw/zinc/95/19/75/1117951975.db2.gz TXIPUPQOSCCMBO-KRWDZBQOSA-N 1 0 360.845 4.201 20 5 FIBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1 ZINC000540354584 1117999232 /nfs/dbraw/zinc/99/92/32/1117999232.db2.gz OFOAPPRGGYIPMP-RDJZCZTQSA-N 1 0 355.438 4.280 20 5 FIBDRO CC(C)Oc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000540361807 1118014466 /nfs/dbraw/zinc/01/44/66/1118014466.db2.gz AJSIKAFQBWEMPY-HNNXBMFYSA-N 1 0 371.437 4.061 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC000540424641 1118050449 /nfs/dbraw/zinc/05/04/49/1118050449.db2.gz URHSQFCMWDDFIA-IBGZPJMESA-N 1 0 373.428 4.358 20 5 FIBDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000540617297 1118153328 /nfs/dbraw/zinc/15/33/28/1118153328.db2.gz KYPYBLLXVBOACX-SJLPKXTDSA-N 1 0 371.481 4.249 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H]3CCCCC34CCCC4)o2)cc1 ZINC000463437999 1118156735 /nfs/dbraw/zinc/15/67/35/1118156735.db2.gz HAXOIWWEXLYMIA-MRXNPFEDSA-N 1 0 356.426 4.237 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCCCC23CCCC3)cccc1[N+](=O)[O-] ZINC000463443911 1118157401 /nfs/dbraw/zinc/15/74/01/1118157401.db2.gz YTBFFELFNVTLFN-GOSISDBHSA-N 1 0 359.470 4.324 20 5 FIBDRO CCc1ccc([C@H]([NH2+][C@@H](C)Cc2cc(C)n[nH]2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541564645 1118556576 /nfs/dbraw/zinc/55/65/76/1118556576.db2.gz AONUZFYZJMJYFV-RNODOKPDSA-N 1 0 368.437 4.092 20 5 FIBDRO CC(C)C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccs1 ZINC000541626511 1118586977 /nfs/dbraw/zinc/58/69/77/1118586977.db2.gz LFCBVDHLZXHNLP-IRXDYDNUSA-N 1 0 373.478 4.139 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)cc1 ZINC000541776231 1118637843 /nfs/dbraw/zinc/63/78/43/1118637843.db2.gz QTSOOROQIDFOHY-UHFFFAOYSA-N 1 0 372.318 4.007 20 5 FIBDRO Cc1ccc(CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]2CCCO2)cc1 ZINC000464781921 1118692879 /nfs/dbraw/zinc/69/28/79/1118692879.db2.gz WYQBQCFYFPJCFA-GOSISDBHSA-N 1 0 360.479 4.188 20 5 FIBDRO COCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000090217471 1118711837 /nfs/dbraw/zinc/71/18/37/1118711837.db2.gz MQKAFGZJLIHZDV-HOTGVXAUSA-N 1 0 358.438 4.340 20 5 FIBDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCO2 ZINC000090217635 1118723346 /nfs/dbraw/zinc/72/33/46/1118723346.db2.gz FBCODIIVYIIGMJ-KBXCAEBGSA-N 1 0 356.422 4.476 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000492002136 1119002019 /nfs/dbraw/zinc/00/20/19/1119002019.db2.gz RWORZXRYRYSQSK-GSPCDJLXSA-N 1 0 355.413 4.006 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CCCc3ccc(C)cc32)c([N+](=O)[O-])cc1OC ZINC000492293780 1119065539 /nfs/dbraw/zinc/06/55/39/1119065539.db2.gz LJHBFAZGBGBFIE-QGZVFWFLSA-N 1 0 356.422 4.088 20 5 FIBDRO CC(C)c1nnc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)s1 ZINC000492337145 1119074372 /nfs/dbraw/zinc/07/43/72/1119074372.db2.gz YDNIMRDHFWGWHU-UHFFFAOYSA-N 1 0 372.450 4.162 20 5 FIBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)CC(C)C ZINC000443964810 1119141867 /nfs/dbraw/zinc/14/18/67/1119141867.db2.gz VEMHHAKRTWMLGV-INIZCTEOSA-N 1 0 364.490 4.090 20 5 FIBDRO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2-n2cccn2)ccc1[N+](=O)[O-] ZINC000492606641 1119143242 /nfs/dbraw/zinc/14/32/42/1119143242.db2.gz KNYWDWCJLYFKAC-HNNXBMFYSA-N 1 0 366.421 4.030 20 5 FIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000152209669 1119160522 /nfs/dbraw/zinc/16/05/22/1119160522.db2.gz SNCKIUJWJINRNZ-OAHLLOKOSA-N 1 0 374.746 4.090 20 5 FIBDRO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000492725218 1119172903 /nfs/dbraw/zinc/17/29/03/1119172903.db2.gz WRJZIZMCNOXLLW-LBPRGKRZSA-N 1 0 366.364 4.446 20 5 FIBDRO CCOc1cc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492748964 1119177847 /nfs/dbraw/zinc/17/78/47/1119177847.db2.gz NGAZDXZJSPMIFD-IEBWSBKVSA-N 1 0 370.449 4.251 20 5 FIBDRO CCOc1cc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000492777059 1119186326 /nfs/dbraw/zinc/18/63/26/1119186326.db2.gz WZMREOPQLJXEMX-MRXNPFEDSA-N 1 0 369.465 4.445 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)ccc1[N+](=O)[O-] ZINC000492786273 1119188713 /nfs/dbraw/zinc/18/87/13/1119188713.db2.gz XUUQCJBPVXNBTM-CYBMUJFWSA-N 1 0 374.412 4.382 20 5 FIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000152285484 1119193496 /nfs/dbraw/zinc/19/34/96/1119193496.db2.gz UWSGCKBSEDXFOC-UHFFFAOYSA-N 1 0 374.853 4.099 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000493006384 1119240743 /nfs/dbraw/zinc/24/07/43/1119240743.db2.gz DFXVMNANVMOYIS-NSHDSACASA-N 1 0 354.328 4.473 20 5 FIBDRO C[NH+](C)C1CCN(c2ccc(Nc3ccc(F)cc3[N+](=O)[O-])cc2)CC1 ZINC000089266970 1119277690 /nfs/dbraw/zinc/27/76/90/1119277690.db2.gz RBPCQDBSFICELB-UHFFFAOYSA-N 1 0 358.417 4.008 20 5 FIBDRO Cc1ccccc1C1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOCC1 ZINC000761524219 1119407216 /nfs/dbraw/zinc/40/72/16/1119407216.db2.gz ZCWJCSVAMNRDNY-UHFFFAOYSA-N 1 0 374.868 4.395 20 5 FIBDRO Cc1nc2ccc(C[NH2+]CCc3ccc(Cl)cc3[N+](=O)[O-])cc2s1 ZINC000494183535 1119551879 /nfs/dbraw/zinc/55/18/79/1119551879.db2.gz SXPGJFVJFOVZCL-UHFFFAOYSA-N 1 0 361.854 4.499 20 5 FIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)c1 ZINC000542494231 1120063856 /nfs/dbraw/zinc/06/38/56/1120063856.db2.gz ICPLUWZEZDKQEZ-HXUWFJFHSA-N 1 0 351.381 4.051 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCc2ccc(O)cc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542500711 1120230938 /nfs/dbraw/zinc/23/09/38/1120230938.db2.gz RHDXDWFTKFMTTI-OAQYLSRUSA-N 1 0 366.417 4.378 20 5 FIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000495030867 1120439722 /nfs/dbraw/zinc/43/97/22/1120439722.db2.gz QSJISWYUNRTWDE-UONOGXRCSA-N 1 0 369.412 4.117 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)cc1 ZINC000495038914 1120440846 /nfs/dbraw/zinc/44/08/46/1120440846.db2.gz OZXIPBBNSYCPCT-UZLBHIALSA-N 1 0 358.413 4.034 20 5 FIBDRO COc1ccc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000495372856 1120759681 /nfs/dbraw/zinc/75/96/81/1120759681.db2.gz BNTUBZPIDUVCEX-LBPRGKRZSA-N 1 0 364.829 4.159 20 5 FIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1nc2c(s1)CCCC2 ZINC000495421009 1120806961 /nfs/dbraw/zinc/80/69/61/1120806961.db2.gz MXAIFUDUYRVIAO-NSHDSACASA-N 1 0 365.886 4.477 20 5 FIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2ccnc2)cc1 ZINC000495433109 1120808158 /nfs/dbraw/zinc/80/81/58/1120808158.db2.gz NBLBFAWYCFFBBR-CQSZACIVSA-N 1 0 370.840 4.327 20 5 FIBDRO COc1ccc(OC)c([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000495437318 1120822316 /nfs/dbraw/zinc/82/23/16/1120822316.db2.gz BINCYMNCDSQXJG-LBPRGKRZSA-N 1 0 364.829 4.159 20 5 FIBDRO C[C@H](C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)N(C)C ZINC000609223249 1120998347 /nfs/dbraw/zinc/99/83/47/1120998347.db2.gz AKLZLVAZCPGVNV-CYBMUJFWSA-N 1 0 363.845 4.080 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488076395 1121409305 /nfs/dbraw/zinc/40/93/05/1121409305.db2.gz MXWSYTOVEQVWRQ-IAGOWNOFSA-N 1 0 368.481 4.234 20 5 FIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCCC3)CC2)c2ccncc21 ZINC000301465361 1122123356 /nfs/dbraw/zinc/12/33/56/1122123356.db2.gz HHUQYZVVFPXSAF-UHFFFAOYSA-N 1 0 354.454 4.352 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000301510029 1122193061 /nfs/dbraw/zinc/19/30/61/1122193061.db2.gz DXNNHVSAUJQYRD-OXQOHEQNSA-N 1 0 369.465 4.064 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](c1ccccc1)C(C)C ZINC000497389452 1122202148 /nfs/dbraw/zinc/20/21/48/1122202148.db2.gz MPSBYZVKXWCCHT-FQEVSTJZSA-N 1 0 355.438 4.171 20 5 FIBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301560062 1122219655 /nfs/dbraw/zinc/21/96/55/1122219655.db2.gz UJOJRTFYPFPQCS-CABZTGNLSA-N 1 0 365.783 4.043 20 5 FIBDRO COc1ccc(C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000273411195 1122253778 /nfs/dbraw/zinc/25/37/78/1122253778.db2.gz IIGGXFAZOKPLHQ-FXAWDEMLSA-N 1 0 374.412 4.095 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H](O)C(F)(F)F ZINC000498373322 1122756163 /nfs/dbraw/zinc/75/61/63/1122756163.db2.gz NCMKSQLAIOTBGK-WFASDCNBSA-N 1 0 374.384 4.115 20 5 FIBDRO COc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC2CC2)c(OC)c1 ZINC000919673836 1123081857 /nfs/dbraw/zinc/08/18/57/1123081857.db2.gz OEPDIKNGEZQZOA-UHFFFAOYSA-N 1 0 370.449 4.333 20 5 FIBDRO O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000195177325 1123255287 /nfs/dbraw/zinc/25/52/87/1123255287.db2.gz XSNIPONIRCJZAY-UHFFFAOYSA-N 1 0 364.386 4.452 20 5 FIBDRO O=C(CC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000557021893 1123314663 /nfs/dbraw/zinc/31/46/63/1123314663.db2.gz KPWNUWCDERQLLK-HXUWFJFHSA-N 1 0 371.412 4.194 20 5 FIBDRO O=C(NCCCCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000920250059 1123419546 /nfs/dbraw/zinc/41/95/46/1123419546.db2.gz JNZYQXNEHVTNEQ-UHFFFAOYSA-N 1 0 367.877 4.024 20 5 FIBDRO COc1ccc(COCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000609385307 1123699083 /nfs/dbraw/zinc/69/90/83/1123699083.db2.gz PQOSWMPDERUOGE-UHFFFAOYSA-N 1 0 358.438 4.031 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000609441811 1123714004 /nfs/dbraw/zinc/71/40/04/1123714004.db2.gz DPGBQHKCHXGQEQ-CQSZACIVSA-N 1 0 371.412 4.361 20 5 FIBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609855761 1123861370 /nfs/dbraw/zinc/86/13/70/1123861370.db2.gz CHJJSDAEGDLVNU-UHFFFAOYSA-N 1 0 373.840 4.139 20 5 FIBDRO C[C@H]1C[C@H](N(C)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000609964791 1123899131 /nfs/dbraw/zinc/89/91/31/1123899131.db2.gz MDICQIURRBAQBO-MAUKXSAKSA-N 1 0 357.429 4.223 20 5 FIBDRO CC(C)([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(F)c1 ZINC000179567873 1124006734 /nfs/dbraw/zinc/00/67/34/1124006734.db2.gz SFSBKIXHNWKMSN-UHFFFAOYSA-N 1 0 369.396 4.456 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)Cc3ccccc3)s2)cc1 ZINC000238064866 1124265060 /nfs/dbraw/zinc/26/50/60/1124265060.db2.gz JYRJOYCUSCWKKQ-GOSISDBHSA-N 1 0 368.458 4.017 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000554311443 1124326893 /nfs/dbraw/zinc/32/68/93/1124326893.db2.gz ZXRCIOUFDFNNGN-SFHVURJKSA-N 1 0 373.478 4.376 20 5 FIBDRO CC(C)Oc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000554372088 1124330700 /nfs/dbraw/zinc/33/07/00/1124330700.db2.gz GTYMCIAPWCCHIR-HRAATJIYSA-N 1 0 371.481 4.336 20 5 FIBDRO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000542827135 1124407116 /nfs/dbraw/zinc/40/71/16/1124407116.db2.gz MSJWNFVVJDUGHA-INIZCTEOSA-N 1 0 350.422 4.248 20 5 FIBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001128236196 1125106384 /nfs/dbraw/zinc/10/63/84/1125106384.db2.gz QSLRQUILIKMBAP-UHFFFAOYSA-N 1 0 367.877 4.023 20 5 FIBDRO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181814674 1125143888 /nfs/dbraw/zinc/14/38/88/1125143888.db2.gz KYPGQNXNVZDDSD-CYBMUJFWSA-N 1 0 361.829 4.154 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113314852 1125148912 /nfs/dbraw/zinc/14/89/12/1125148912.db2.gz SHQFQHXPRLFYSU-OAHLLOKOSA-N 1 0 374.510 4.072 20 5 FIBDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113335930 1125154803 /nfs/dbraw/zinc/15/48/03/1125154803.db2.gz OZKDKBWLEKQCBQ-CYBMUJFWSA-N 1 0 369.446 4.145 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000301750040 1125186077 /nfs/dbraw/zinc/18/60/77/1125186077.db2.gz ALAZXKDLNQEAJQ-MLGOLLRUSA-N 1 0 369.387 4.067 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc3cnccc3c2)cc(C(F)(F)F)c1 ZINC000618730072 1125257881 /nfs/dbraw/zinc/25/78/81/1125257881.db2.gz PSRDHFLVORVLTE-UHFFFAOYSA-N 1 0 361.323 4.452 20 5 FIBDRO CC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC001168700638 1125290657 /nfs/dbraw/zinc/29/06/57/1125290657.db2.gz OMHIPPBNZIPTLZ-MRXNPFEDSA-N 1 0 366.364 4.316 20 5 FIBDRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)o1)c1cccc([N+](=O)[O-])c1 ZINC001127681449 1125355373 /nfs/dbraw/zinc/35/53/73/1125355373.db2.gz OTMFUGLEJVTQFN-SFHVURJKSA-N 1 0 371.437 4.055 20 5 FIBDRO CC[C@H]([NH2+]CCCc1ccc(OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000481407013 567903475 /nfs/dbraw/zinc/90/34/75/567903475.db2.gz RDTDJPSCIQSUQA-SFHVURJKSA-N 1 0 358.438 4.286 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)COc2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000481542358 568031578 /nfs/dbraw/zinc/03/15/78/568031578.db2.gz IVRBRXQILYOZND-AAEUAGOBSA-N 1 0 350.365 4.300 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000568804218 568226773 /nfs/dbraw/zinc/22/67/73/568226773.db2.gz KVSBRPAZTNJWMO-FERLCFGISA-N 1 0 364.445 4.292 20 5 FIBDRO CC[C@H]([NH2+]C[C@H](c1ccc(C)o1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000482016283 568230774 /nfs/dbraw/zinc/23/07/74/568230774.db2.gz LGDJWNKBRFLMRH-RBUKOAKNSA-N 1 0 357.454 4.374 20 5 FIBDRO CC[C@H]([NH2+]C[C@@H](c1ccc(C)o1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000482016281 568230798 /nfs/dbraw/zinc/23/07/98/568230798.db2.gz LGDJWNKBRFLMRH-OALUTQOASA-N 1 0 357.454 4.374 20 5 FIBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1[C@@H]1CCCO1 ZINC000568921620 568252504 /nfs/dbraw/zinc/25/25/04/568252504.db2.gz JMKOSSWRGHTSCU-OALUTQOASA-N 1 0 356.422 4.244 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc2n1 ZINC000569312475 568367498 /nfs/dbraw/zinc/36/74/98/568367498.db2.gz MODCWWCGTGTQLH-IBGZPJMESA-N 1 0 363.417 4.319 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2)nn1C ZINC000453074722 568389501 /nfs/dbraw/zinc/38/95/01/568389501.db2.gz TXNIVIRIKIRWEB-GJZGRUSLSA-N 1 0 350.422 4.407 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1(c2ccccn2)CCC1)C1CC1 ZINC000569367312 568396677 /nfs/dbraw/zinc/39/66/77/568396677.db2.gz VCEJIUDBCFQYAK-GOSISDBHSA-N 1 0 351.450 4.022 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C/C=C\c3ccc(F)cc3F)c2c1 ZINC000570429190 568475720 /nfs/dbraw/zinc/47/57/20/568475720.db2.gz ICFUKEJJESZHKU-UPHRSURJSA-N 1 0 357.360 4.200 20 5 FIBDRO COc1ccc(COCCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000482238720 568515617 /nfs/dbraw/zinc/51/56/17/568515617.db2.gz AZOPIXJCXHWGLB-MRXNPFEDSA-N 1 0 358.438 4.169 20 5 FIBDRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000182720412 1125610001 /nfs/dbraw/zinc/61/00/01/1125610001.db2.gz GKMRWPJAARGDCV-GDBMZVCRSA-N 1 0 363.458 4.035 20 5 FIBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000557628540 1079593757 /nfs/dbraw/zinc/59/37/57/1079593757.db2.gz DPOVFHQJYQSAPK-LBPRGKRZSA-N 1 0 358.269 4.070 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CCCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000153945209 1079751565 /nfs/dbraw/zinc/75/15/65/1079751565.db2.gz JUSGUOAUPUKCTJ-YJBOKZPZSA-N 1 0 358.438 4.158 20 5 FIBDRO COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000157529873 1079966829 /nfs/dbraw/zinc/96/68/29/1079966829.db2.gz ZCQPKHZGJMTYDC-IRXDYDNUSA-N 1 0 369.465 4.089 20 5 FIBDRO CCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1cccc(C)c1C ZINC000510094047 1079975583 /nfs/dbraw/zinc/97/55/83/1079975583.db2.gz PASZIEWVAKUZSF-UHFFFAOYSA-N 1 0 364.405 4.064 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000430218736 1080008614 /nfs/dbraw/zinc/00/86/14/1080008614.db2.gz KWCDFBBJDIMFQN-LJQANCHMSA-N 1 0 355.438 4.007 20 5 FIBDRO Cc1ccc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000118787467 1080057174 /nfs/dbraw/zinc/05/71/74/1080057174.db2.gz IGZIFVXKOXZCPJ-IRXDYDNUSA-N 1 0 374.485 4.022 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)C1CC1 ZINC000247071112 1080763213 /nfs/dbraw/zinc/76/32/13/1080763213.db2.gz OIFVLJMNTWTIOL-DYESRHJHSA-N 1 0 365.477 4.032 20 5 FIBDRO COC[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(C)C ZINC000610271230 1080990847 /nfs/dbraw/zinc/99/08/47/1080990847.db2.gz RHSICYFPQDPSAB-KRWDZBQOSA-N 1 0 362.401 4.287 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H]3CCC[C@H]3c3ccccc3)n2)c1 ZINC000133961625 1081102952 /nfs/dbraw/zinc/10/29/52/1081102952.db2.gz NXIIZVLPMBWBHL-ROUUACIJSA-N 1 0 364.405 4.071 20 5 FIBDRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000056157010 1081539710 /nfs/dbraw/zinc/53/97/10/1081539710.db2.gz JRTPZOHSEQFRHH-HUUCEWRRSA-N 1 0 371.437 4.060 20 5 FIBDRO O=S1(=O)CC[C@H](C[NH2+]Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC000044862812 1081559507 /nfs/dbraw/zinc/55/95/07/1081559507.db2.gz OIKXFFGEHWJTAY-CQSZACIVSA-N 1 0 373.905 4.171 20 5 FIBDRO CC[C@@H](C)[C@H](C)[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC001167356320 1081617410 /nfs/dbraw/zinc/61/74/10/1081617410.db2.gz MCIKWTDSHBZCIQ-NEPJUHHUSA-N 1 0 353.850 4.086 20 5 FIBDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420477 1081839979 /nfs/dbraw/zinc/83/99/79/1081839979.db2.gz UWDSPVCZYSOAPJ-KGLIPLIRSA-N 1 0 361.392 4.050 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@]4(CCCOC4)C3)o2)cc1 ZINC000536659201 1081913799 /nfs/dbraw/zinc/91/37/99/1081913799.db2.gz NGBCXJHUSFLPTO-FQEVSTJZSA-N 1 0 356.422 4.247 20 5 FIBDRO C[N@H+](CCc1cccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1)C1CC1 ZINC000537132182 1082002427 /nfs/dbraw/zinc/00/24/27/1082002427.db2.gz SGDBHQMIBRCAIX-UHFFFAOYSA-N 1 0 373.840 4.137 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)s1 ZINC000610469434 1082232053 /nfs/dbraw/zinc/23/20/53/1082232053.db2.gz OXIMRYGIQXLSSF-LJQANCHMSA-N 1 0 357.479 4.149 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000610468548 1082238198 /nfs/dbraw/zinc/23/81/98/1082238198.db2.gz XXEPKEGIJZCZIT-GOSISDBHSA-N 1 0 369.465 4.065 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000156703877 1082239704 /nfs/dbraw/zinc/23/97/04/1082239704.db2.gz DOEIDHMYHMVCBO-HOTGVXAUSA-N 1 0 367.449 4.442 20 5 FIBDRO C[C@@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000581142667 1082341969 /nfs/dbraw/zinc/34/19/69/1082341969.db2.gz PPIPJEGPZOHRRY-HRAATJIYSA-N 1 0 365.477 4.397 20 5 FIBDRO C[C@@H](c1ccccc1)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC001167453968 1082447785 /nfs/dbraw/zinc/44/77/85/1082447785.db2.gz PJLCGCBBOILQMS-KKSFZXQISA-N 1 0 354.450 4.492 20 5 FIBDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001167464447 1082593758 /nfs/dbraw/zinc/59/37/58/1082593758.db2.gz MAFZDWSPNGDUFQ-IXDOHACOSA-N 1 0 367.449 4.108 20 5 FIBDRO C[C@@H]([NH2+]CCOc1ncc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000537955770 1082622831 /nfs/dbraw/zinc/62/28/31/1082622831.db2.gz KFSFBMIUKKSLJR-SNVBAGLBSA-N 1 0 356.209 4.026 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000175910899 1082704374 /nfs/dbraw/zinc/70/43/74/1082704374.db2.gz GGJXWJLSDJASDK-ZWOKBUDYSA-N 1 0 353.466 4.299 20 5 FIBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccco1 ZINC000477188399 1082744809 /nfs/dbraw/zinc/74/48/09/1082744809.db2.gz NEHQFZSOPXTWBN-DZGCQCFKSA-N 1 0 374.441 4.056 20 5 FIBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc(OC)c1OC ZINC000157441270 1082839750 /nfs/dbraw/zinc/83/97/50/1082839750.db2.gz XWKSCGZOAIRBEM-KGLIPLIRSA-N 1 0 374.437 4.341 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(C[N@H+](CCc3ccc(F)cc3)C3CC3)nc2c1 ZINC000610581713 1083214338 /nfs/dbraw/zinc/21/43/38/1083214338.db2.gz FIQAIQAWVWZQSL-UHFFFAOYSA-N 1 0 355.369 4.082 20 5 FIBDRO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610740585 1083397911 /nfs/dbraw/zinc/39/79/11/1083397911.db2.gz LKDHLZKYUWRHBY-FUHWJXTLSA-N 1 0 369.465 4.267 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC=CC3)o2)c(Br)c1 ZINC000610741088 1083402119 /nfs/dbraw/zinc/40/21/19/1083402119.db2.gz BPHZBBUNIYCXOP-UHFFFAOYSA-N 1 0 363.211 4.426 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)o1 ZINC000188262551 1083412070 /nfs/dbraw/zinc/41/20/70/1083412070.db2.gz PCUBMQVWEJKWDF-IBGZPJMESA-N 1 0 356.422 4.246 20 5 FIBDRO COCCCOc1cc(C)ccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167227693 1083677813 /nfs/dbraw/zinc/67/78/13/1083677813.db2.gz ZEJAPJOHUFIYQR-MRXNPFEDSA-N 1 0 358.438 4.169 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000610813070 1083737115 /nfs/dbraw/zinc/73/71/15/1083737115.db2.gz YBUSWLWABYEPEE-HIFRSBDPSA-N 1 0 361.392 4.111 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnn2CCc2ccccc2)cc1[N+](=O)[O-] ZINC000610831458 1083746768 /nfs/dbraw/zinc/74/67/68/1083746768.db2.gz WPXOASYWIRWSCV-QGZVFWFLSA-N 1 0 364.449 4.193 20 5 FIBDRO CC[C@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610821875 1083748940 /nfs/dbraw/zinc/74/89/40/1083748940.db2.gz HIAKMTUZXDDBKP-PMACEKPBSA-N 1 0 350.422 4.274 20 5 FIBDRO CC(C)[C@@H](CO)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000236711241 1083935171 /nfs/dbraw/zinc/93/51/71/1083935171.db2.gz ATVSSUJFCBHLEF-MRXNPFEDSA-N 1 0 364.829 4.147 20 5 FIBDRO C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000380523405 1084044142 /nfs/dbraw/zinc/04/41/42/1084044142.db2.gz CMAKKJQSTIGNCL-XIGKFDRGSA-N 1 0 365.477 4.156 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000613025626 1084275537 /nfs/dbraw/zinc/27/55/37/1084275537.db2.gz CHAXLMJYZBYHNB-HXUWFJFHSA-N 1 0 367.449 4.459 20 5 FIBDRO CC(C)Oc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000539226911 1084418841 /nfs/dbraw/zinc/41/88/41/1084418841.db2.gz PZXLQWKSZKJZDQ-OAHLLOKOSA-N 1 0 371.437 4.061 20 5 FIBDRO COc1ccc(OCC[NH2+][C@H](C)c2ccccc2OC(C)C)c([N+](=O)[O-])c1 ZINC000539224557 1084419470 /nfs/dbraw/zinc/41/94/70/1084419470.db2.gz AZPWBLMYFFQGMU-OAHLLOKOSA-N 1 0 374.437 4.120 20 5 FIBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001167517182 1084433719 /nfs/dbraw/zinc/43/37/19/1084433719.db2.gz OJGKHQGWNZKEOR-GOSISDBHSA-N 1 0 369.465 4.103 20 5 FIBDRO CC(C)Oc1ccccc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000581392920 1084549134 /nfs/dbraw/zinc/54/91/34/1084549134.db2.gz VWIIGCNQRCXGRZ-UHFFFAOYSA-N 1 0 353.422 4.196 20 5 FIBDRO CCC[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000551556829 1084678608 /nfs/dbraw/zinc/67/86/08/1084678608.db2.gz YATVLCNYOLFIRE-RTWAWAEBSA-N 1 0 371.481 4.337 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCCc2cccnc2)cc1[N+](=O)[O-] ZINC000414142692 1084692440 /nfs/dbraw/zinc/69/24/40/1084692440.db2.gz JASPRLIDTLEDID-HOTGVXAUSA-N 1 0 357.454 4.451 20 5 FIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1c(Cl)ccc2cccnc21 ZINC000511106960 1084918235 /nfs/dbraw/zinc/91/82/35/1084918235.db2.gz MUFHGMYBFKTGHX-UHFFFAOYSA-N 1 0 355.825 4.471 20 5 FIBDRO CC1(C)C[C@H]([NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000582390258 1084945643 /nfs/dbraw/zinc/94/56/43/1084945643.db2.gz ZMKYBCBOMWJHDO-ONTIZHBOSA-N 1 0 366.461 4.073 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000562046064 1085014444 /nfs/dbraw/zinc/01/44/44/1085014444.db2.gz RSPDXGDIAFUPSX-RDTXWAMCSA-N 1 0 362.857 4.283 20 5 FIBDRO CCC[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000479871010 1085326218 /nfs/dbraw/zinc/32/62/18/1085326218.db2.gz FAQLRCYVSIXZCG-MOPGFXCFSA-N 1 0 357.454 4.456 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@H](c2cccs2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000479872008 1085326772 /nfs/dbraw/zinc/32/67/72/1085326772.db2.gz HTEJDOIGECQPJA-MAUKXSAKSA-N 1 0 359.495 4.452 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cs1 ZINC000479881162 1085329538 /nfs/dbraw/zinc/32/95/38/1085329538.db2.gz GJFZZTCFZWRRLA-GFCCVEGCSA-N 1 0 371.384 4.044 20 5 FIBDRO C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000125106447 1085330616 /nfs/dbraw/zinc/33/06/16/1085330616.db2.gz ZYSZIJIDEGENFW-SWLSCSKDSA-N 1 0 358.419 4.301 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178640337 1085418175 /nfs/dbraw/zinc/41/81/75/1085418175.db2.gz GLTXHNSEIHMAAX-INIZCTEOSA-N 1 0 367.449 4.072 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C[C@H](c2ccco2)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000480096758 1085427469 /nfs/dbraw/zinc/42/74/69/1085427469.db2.gz RUWLJQYCTVWICA-VQIMIIECSA-N 1 0 357.454 4.374 20 5 FIBDRO Cn1cc([C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C(C)(C)C)cn1 ZINC000549535607 1085461005 /nfs/dbraw/zinc/46/10/05/1085461005.db2.gz HBICLJYVZBKAAI-HNNXBMFYSA-N 1 0 370.375 4.224 20 5 FIBDRO CC(C)CC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178650751 1085578423 /nfs/dbraw/zinc/57/84/23/1085578423.db2.gz HUFQXWSUCWEARQ-OAHLLOKOSA-N 1 0 355.438 4.430 20 5 FIBDRO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178654956 1085679944 /nfs/dbraw/zinc/67/99/44/1085679944.db2.gz AUWHDDGCRKYSTL-YRBBNYTNSA-N 1 0 365.477 4.441 20 5 FIBDRO C[C@H](c1ccccc1)N1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000178656940 1085683084 /nfs/dbraw/zinc/68/30/84/1085683084.db2.gz JHGGDSXWLBDKIP-DLBZAZTESA-N 1 0 353.466 4.471 20 5 FIBDRO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178679403 1085772143 /nfs/dbraw/zinc/77/21/43/1085772143.db2.gz CUMUTUXIZXYRAG-HZPDHXFCSA-N 1 0 355.438 4.198 20 5 FIBDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000178680020 1085777948 /nfs/dbraw/zinc/77/79/48/1085777948.db2.gz FWNQNISSTICIRL-CVEARBPZSA-N 1 0 355.438 4.198 20 5 FIBDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000582825327 1085779157 /nfs/dbraw/zinc/77/91/57/1085779157.db2.gz SDEDPXIMNJNZOY-XMDBHEJHSA-N 1 0 370.449 4.347 20 5 FIBDRO CSc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178686555 1085811513 /nfs/dbraw/zinc/81/15/13/1085811513.db2.gz BJBVDLIRJZPNQO-KGLIPLIRSA-N 1 0 373.478 4.303 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000104705419 1085813122 /nfs/dbraw/zinc/81/31/22/1085813122.db2.gz KIVAQCCPCQGQSS-FQEVSTJZSA-N 1 0 371.412 4.112 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(Cc2ccccc2)c1 ZINC000178686618 1085813366 /nfs/dbraw/zinc/81/33/66/1085813366.db2.gz ONIRFYGBTJAGOL-JKSUJKDBSA-N 1 0 350.422 4.251 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000112533298 1085938135 /nfs/dbraw/zinc/93/81/35/1085938135.db2.gz FHFHPUBBQXNSBT-LLVKDONJSA-N 1 0 354.328 4.473 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000535942016 1086289686 /nfs/dbraw/zinc/28/96/86/1086289686.db2.gz FLMBTEITIDQIRA-SXBQZSJRSA-N 1 0 360.479 4.306 20 5 FIBDRO O=[N+]([O-])c1cccc2c(NCc3cccc(C[NH+]4CCCC4)c3)ccnc21 ZINC000432315392 1086511024 /nfs/dbraw/zinc/51/10/24/1086511024.db2.gz ULICQCSQAVFWKR-UHFFFAOYSA-N 1 0 362.433 4.351 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432341340 1086633411 /nfs/dbraw/zinc/63/34/11/1086633411.db2.gz WIFNPWBIYZNRAY-IRXDYDNUSA-N 1 0 368.481 4.234 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC4(CCOCC4)CC3)o2)c1 ZINC000585767927 1086695071 /nfs/dbraw/zinc/69/50/71/1086695071.db2.gz HLBDFMANEHNNQD-UHFFFAOYSA-N 1 0 356.422 4.247 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC4(CCOCC4)CC3)o2)cc1 ZINC000585767917 1086695561 /nfs/dbraw/zinc/69/55/61/1086695561.db2.gz GBNNSELAWPBVDE-UHFFFAOYSA-N 1 0 356.422 4.247 20 5 FIBDRO CC(C)(C)OC1CC(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000432420941 1086746682 /nfs/dbraw/zinc/74/66/82/1086746682.db2.gz NCWYBVABRAJVNI-XUJQIHCRSA-N 1 0 360.498 4.489 20 5 FIBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc([S@@](C)=O)cc1 ZINC000279079920 1086789164 /nfs/dbraw/zinc/78/91/64/1086789164.db2.gz MMBHQYSFKJYZHF-YYFJZNMOSA-N 1 0 372.490 4.405 20 5 FIBDRO CCc1ccc(CN(C)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)cc1 ZINC000728897312 1086875722 /nfs/dbraw/zinc/87/57/22/1086875722.db2.gz YDCQKGOBRBFNDF-UHFFFAOYSA-N 1 0 350.422 4.110 20 5 FIBDRO Cc1ccc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000246128065 1086898949 /nfs/dbraw/zinc/89/89/49/1086898949.db2.gz IGZIFVXKOXZCPJ-IAGOWNOFSA-N 1 0 374.485 4.022 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803850 1087167863 /nfs/dbraw/zinc/16/78/63/1087167863.db2.gz SKGSGPISJUQCPA-QGZVFWFLSA-N 1 0 359.451 4.130 20 5 FIBDRO CN(C)C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000584223784 1087223753 /nfs/dbraw/zinc/22/37/53/1087223753.db2.gz ZHRUXUTYDCRNQP-WOJBJXKFSA-N 1 0 371.456 4.349 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000584314870 1087262155 /nfs/dbraw/zinc/26/21/55/1087262155.db2.gz AXONCUFVSZBWGB-OZOXKJRCSA-N 1 0 354.450 4.426 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000255590238 1087343949 /nfs/dbraw/zinc/34/39/49/1087343949.db2.gz YIZUYRVSFQQQOV-VEBBDIFPSA-N 1 0 370.424 4.193 20 5 FIBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Cl)cc1 ZINC000024253323 1087445727 /nfs/dbraw/zinc/44/57/27/1087445727.db2.gz STYJYKQFRHMMSG-KRWDZBQOSA-N 1 0 362.813 4.356 20 5 FIBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)cc1 ZINC000024253020 1087625740 /nfs/dbraw/zinc/62/57/40/1087625740.db2.gz BVLRABLXKDMICL-MRXNPFEDSA-N 1 0 361.829 4.236 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000180413819 1087903890 /nfs/dbraw/zinc/90/38/90/1087903890.db2.gz OAYDNLFKTWPDNW-OAHLLOKOSA-N 1 0 352.312 4.271 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180562543 1087970182 /nfs/dbraw/zinc/97/01/82/1087970182.db2.gz XKDLLMIOKXKWBX-CVEARBPZSA-N 1 0 372.318 4.051 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)Oc2ccccc2F)cc1[N+](=O)[O-] ZINC000504899548 1087970311 /nfs/dbraw/zinc/97/03/11/1087970311.db2.gz IMLKTCHRBHMMSL-KGLIPLIRSA-N 1 0 362.401 4.251 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn2c(cccc2C)n1 ZINC000504927054 1087994653 /nfs/dbraw/zinc/99/46/53/1087994653.db2.gz MMNVGYITPWILHQ-OAHLLOKOSA-N 1 0 370.478 4.211 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](COC)c1ccc(C)o1 ZINC000504927557 1087995003 /nfs/dbraw/zinc/99/50/03/1087995003.db2.gz QPPQGQWHIWGJOG-HUUCEWRRSA-N 1 0 364.467 4.344 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1sc(C)nc1C ZINC000504929621 1087995840 /nfs/dbraw/zinc/99/58/40/1087995840.db2.gz KFANZZRNGCMREF-ZDUSSCGKSA-N 1 0 351.497 4.329 20 5 FIBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H](C)O1 ZINC000414512535 1088804496 /nfs/dbraw/zinc/80/44/96/1088804496.db2.gz IUBCZPKNIHHLIJ-FRRDWIJNSA-N 1 0 364.829 4.411 20 5 FIBDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000055152032 1088887163 /nfs/dbraw/zinc/88/71/63/1088887163.db2.gz KCOYWIPSCGFSDR-HUUCEWRRSA-N 1 0 371.437 4.060 20 5 FIBDRO CC1(C)C[NH2+]CC[C@H]1NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414972156 1089030310 /nfs/dbraw/zinc/03/03/10/1089030310.db2.gz MEJLIBPYZPVBTJ-LJQANCHMSA-N 1 0 373.428 4.004 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000181539312 1089045778 /nfs/dbraw/zinc/04/57/78/1089045778.db2.gz LGZPIOXUQBGFCK-GOEBONIOSA-N 1 0 355.438 4.014 20 5 FIBDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000435056114 1089244707 /nfs/dbraw/zinc/24/47/07/1089244707.db2.gz LQFPXQCFBUCPMO-GJZGRUSLSA-N 1 0 351.406 4.422 20 5 FIBDRO CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C1(C)C ZINC001167958325 1089398632 /nfs/dbraw/zinc/39/86/32/1089398632.db2.gz HCOOGEMNSXWMDO-QZTJIDSGSA-N 1 0 350.459 4.019 20 5 FIBDRO CSc1ccc([C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000549284271 1089559257 /nfs/dbraw/zinc/55/92/57/1089559257.db2.gz NFQPANIHIYVYPY-HNNXBMFYSA-N 1 0 366.874 4.080 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425369749 1089610666 /nfs/dbraw/zinc/61/06/66/1089610666.db2.gz HUSIXFFYJMKZGG-GRFAERAESA-N 1 0 356.466 4.279 20 5 FIBDRO CC(C)[C@@H](O)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000236777118 1089614350 /nfs/dbraw/zinc/61/43/50/1089614350.db2.gz MBDYBUOVZKGXHE-KRWDZBQOSA-N 1 0 364.829 4.147 20 5 FIBDRO COc1ccc(O[C@@H](C)C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000468634721 1089946165 /nfs/dbraw/zinc/94/61/65/1089946165.db2.gz HJSRVPCCHKTMCM-QZFKAFNDSA-N 1 0 356.422 4.064 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1csc(-c2ccco2)n1)C1CC1 ZINC000128396970 1090074135 /nfs/dbraw/zinc/07/41/35/1090074135.db2.gz BOSSMMVVSSRWLK-INIZCTEOSA-N 1 0 369.446 4.422 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](c1ccc(F)cc1)N(C)C ZINC000468656488 1090273289 /nfs/dbraw/zinc/27/32/89/1090273289.db2.gz WRFMKSDAPFYZRF-WLEBTQASSA-N 1 0 357.429 4.030 20 5 FIBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cccs1 ZINC000104662999 1090289002 /nfs/dbraw/zinc/28/90/02/1090289002.db2.gz HURQCYXYCMKGER-UHFFFAOYSA-N 1 0 357.435 4.376 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000378391448 1090342308 /nfs/dbraw/zinc/34/23/08/1090342308.db2.gz DJJHQFADEZRTAJ-UQASEVPWSA-N 1 0 370.449 4.422 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000378391449 1090342956 /nfs/dbraw/zinc/34/29/56/1090342956.db2.gz DJJHQFADEZRTAJ-XERREHJYSA-N 1 0 370.449 4.422 20 5 FIBDRO CCCO[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000549426531 1090343124 /nfs/dbraw/zinc/34/31/24/1090343124.db2.gz UWSGKIHAIIZYBG-OAHLLOKOSA-N 1 0 360.376 4.395 20 5 FIBDRO CCN(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000110267007 1090361744 /nfs/dbraw/zinc/36/17/44/1090361744.db2.gz YBBUMHJIRJZELJ-PGRDOPGGSA-N 1 0 367.493 4.295 20 5 FIBDRO CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000120256191 1090461773 /nfs/dbraw/zinc/46/17/73/1090461773.db2.gz XFEWAPIFVYARQA-LSDHHAIUSA-N 1 0 371.437 4.060 20 5 FIBDRO C[C@@H]([NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccc(NC(N)=O)cc1 ZINC000417302709 1090791683 /nfs/dbraw/zinc/79/16/83/1090791683.db2.gz CTCUSBFANJFCRH-YJYMSZOUSA-N 1 0 368.437 4.204 20 5 FIBDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417308652 1090801069 /nfs/dbraw/zinc/80/10/69/1090801069.db2.gz HWSUBQPPLMGEMK-LJQANCHMSA-N 1 0 356.470 4.010 20 5 FIBDRO COCCOc1ccccc1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417309553 1090803522 /nfs/dbraw/zinc/80/35/22/1090803522.db2.gz FBYJGLPOYQKLMR-FQEVSTJZSA-N 1 0 370.449 4.177 20 5 FIBDRO COCc1cc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)ccc1F ZINC000417318876 1090811283 /nfs/dbraw/zinc/81/12/83/1090811283.db2.gz ZMMRKYUACLXLSI-HXUWFJFHSA-N 1 0 358.413 4.438 20 5 FIBDRO CN(C(=O)CN1CCC[C@H]1c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000053278755 1090867632 /nfs/dbraw/zinc/86/76/32/1090867632.db2.gz FMRKWJJXQGPKGA-SFHVURJKSA-N 1 0 373.840 4.048 20 5 FIBDRO COc1cc(C[NH2+]C[C@H]2CC23CC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000418096504 1091058528 /nfs/dbraw/zinc/05/85/28/1091058528.db2.gz MPNFXBAXRSWNIF-QGZVFWFLSA-N 1 0 368.433 4.072 20 5 FIBDRO CSc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000500237821 1091128274 /nfs/dbraw/zinc/12/82/74/1091128274.db2.gz NILFZILAEJYMOC-AWEZNQCLSA-N 1 0 373.478 4.305 20 5 FIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000123554863 1091182057 /nfs/dbraw/zinc/18/20/57/1091182057.db2.gz JKDLZHOQWFEFJP-GFCCVEGCSA-N 1 0 372.812 4.192 20 5 FIBDRO Cc1c(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cccc1[N+](=O)[O-] ZINC000107898282 1091970388 /nfs/dbraw/zinc/97/03/88/1091970388.db2.gz UOBDQLMJAJLRPX-UHFFFAOYSA-N 1 0 360.841 4.352 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000512290791 1092012432 /nfs/dbraw/zinc/01/24/32/1092012432.db2.gz AXKLRTJPKLTETH-MRXNPFEDSA-N 1 0 367.449 4.457 20 5 FIBDRO COCC1(C)CC[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000500693296 1092378682 /nfs/dbraw/zinc/37/86/82/1092378682.db2.gz ARSBNTSKQYQDOO-UHFFFAOYSA-N 1 0 374.437 4.112 20 5 FIBDRO C[NH+](C)[C@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)c1cccs1 ZINC000521055198 1092452058 /nfs/dbraw/zinc/45/20/58/1092452058.db2.gz ZLTFJBFIFFTYIZ-UKRRQHHQSA-N 1 0 373.400 4.152 20 5 FIBDRO Cc1nc(C(C)C)oc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000428244241 1092458948 /nfs/dbraw/zinc/45/89/48/1092458948.db2.gz VHJYEOUYUOSWAF-UHFFFAOYSA-N 1 0 359.426 4.058 20 5 FIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000500749503 1092497414 /nfs/dbraw/zinc/49/74/14/1092497414.db2.gz RTFTYKVUDWGKOH-OAHLLOKOSA-N 1 0 353.422 4.079 20 5 FIBDRO CC(C)C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccccc1 ZINC000521177795 1092553706 /nfs/dbraw/zinc/55/37/06/1092553706.db2.gz LDRRCJCIJARTOU-QFBILLFUSA-N 1 0 369.465 4.090 20 5 FIBDRO CCOc1ccc(C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C(C)C)cc1 ZINC000521195790 1092573756 /nfs/dbraw/zinc/57/37/56/1092573756.db2.gz UDYYVXMAWINAPL-UHFFFAOYSA-N 1 0 358.438 4.413 20 5 FIBDRO CSc1ccc([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000467440711 1092591944 /nfs/dbraw/zinc/59/19/44/1092591944.db2.gz WPNFVVREEVMOLE-ZIAGYGMSSA-N 1 0 373.478 4.385 20 5 FIBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)c1ccco1 ZINC000521501932 1092737594 /nfs/dbraw/zinc/73/75/94/1092737594.db2.gz MLFPWDKMJYSNFK-GOSISDBHSA-N 1 0 354.410 4.231 20 5 FIBDRO CSc1ccccc1[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000442876916 1092832435 /nfs/dbraw/zinc/83/24/35/1092832435.db2.gz SMVMYFPELBIPIM-KBPBESRZSA-N 1 0 373.478 4.385 20 5 FIBDRO C[C@@H]1CCCCN1CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000521818286 1092936740 /nfs/dbraw/zinc/93/67/40/1092936740.db2.gz FBJAMZJUNJZRMF-OAHLLOKOSA-N 1 0 359.495 4.287 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433072865 1093198655 /nfs/dbraw/zinc/19/86/55/1093198655.db2.gz DJMMHZDMVQVZOM-GOSISDBHSA-N 1 0 367.449 4.111 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CC2(CO)CC(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000433091553 1093226576 /nfs/dbraw/zinc/22/65/76/1093226576.db2.gz OHYGRRTYIBCCRJ-YQHFOJDRSA-N 1 0 354.450 4.110 20 5 FIBDRO CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CC2 ZINC000433105348 1093258344 /nfs/dbraw/zinc/25/83/44/1093258344.db2.gz ZSWGDLCFRGSHFL-BEFAXECRSA-N 1 0 368.481 4.242 20 5 FIBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)c2cc([N+](=O)[O-])ccc21 ZINC000433162842 1093352079 /nfs/dbraw/zinc/35/20/79/1093352079.db2.gz NEABCHASKLENOU-IBGZPJMESA-N 1 0 367.449 4.291 20 5 FIBDRO CN(C)[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000433170081 1093361227 /nfs/dbraw/zinc/36/12/27/1093361227.db2.gz ZTRWHLZLNGQMMW-IRXDYDNUSA-N 1 0 359.495 4.271 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)c(Cl)c1 ZINC000433193343 1093396597 /nfs/dbraw/zinc/39/65/97/1093396597.db2.gz PVJIWXJUQUBHCJ-OAHLLOKOSA-N 1 0 359.857 4.254 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000549884738 1093408736 /nfs/dbraw/zinc/40/87/36/1093408736.db2.gz PZTOOMCGSUIYNI-KBPBESRZSA-N 1 0 354.385 4.331 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000292166398 1093476108 /nfs/dbraw/zinc/47/61/08/1093476108.db2.gz NWSDGLOMOYMULN-HUUCEWRRSA-N 1 0 355.438 4.017 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000237300671 1093520836 /nfs/dbraw/zinc/52/08/36/1093520836.db2.gz MUCITHDLBGJCPB-QWHCGFSZSA-N 1 0 361.829 4.316 20 5 FIBDRO CCc1ccc([C@H](CO)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433303328 1093559017 /nfs/dbraw/zinc/55/90/17/1093559017.db2.gz KRVKHZAIXNDVJU-PMACEKPBSA-N 1 0 354.450 4.203 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000474439428 1093786210 /nfs/dbraw/zinc/78/62/10/1093786210.db2.gz NBKUZDOSYPPKOJ-DNVCBOLYSA-N 1 0 370.453 4.025 20 5 FIBDRO O=[N+]([O-])c1ccc(NCc2cccc(C[NH+]3CCCC3)c2)c2ccncc21 ZINC000025502813 1093835878 /nfs/dbraw/zinc/83/58/78/1093835878.db2.gz OXRURSYDRTUTHL-UHFFFAOYSA-N 1 0 362.433 4.351 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000052611829 1093837204 /nfs/dbraw/zinc/83/72/04/1093837204.db2.gz FTDYMOSEIYEGKB-MRXNPFEDSA-N 1 0 351.406 4.158 20 5 FIBDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000120644335 1093908317 /nfs/dbraw/zinc/90/83/17/1093908317.db2.gz VIWAETSVFNFUFF-VQTJNVASSA-N 1 0 370.449 4.312 20 5 FIBDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000513272322 1094043045 /nfs/dbraw/zinc/04/30/45/1094043045.db2.gz QNAGCWYQFRODRF-HNAYVOBHSA-N 1 0 353.422 4.007 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000182627094 1094140338 /nfs/dbraw/zinc/14/03/38/1094140338.db2.gz UMQRPDGYRSAVDV-CQSZACIVSA-N 1 0 367.405 4.329 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000182615147 1094147907 /nfs/dbraw/zinc/14/79/07/1094147907.db2.gz OCVJBUOBRDXGRA-MRXNPFEDSA-N 1 0 367.449 4.315 20 5 FIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]C3(CO)CC3)cc2[N+](=O)[O-])c1 ZINC000513517682 1094177910 /nfs/dbraw/zinc/17/79/10/1094177910.db2.gz JOUOYFMTSBGGBC-UHFFFAOYSA-N 1 0 370.449 4.433 20 5 FIBDRO CC(C)c1ccc(C[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000513649304 1094252844 /nfs/dbraw/zinc/25/28/44/1094252844.db2.gz WJGZYFQSRQODAN-FQEVSTJZSA-N 1 0 359.445 4.250 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000115895729 1094289954 /nfs/dbraw/zinc/28/99/54/1094289954.db2.gz PYVRQAQIIFRFTG-KRWDZBQOSA-N 1 0 361.489 4.382 20 5 FIBDRO C[C@@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCO1 ZINC000237362362 1094371585 /nfs/dbraw/zinc/37/15/85/1094371585.db2.gz DYHJLVYBBFZTBG-KRWDZBQOSA-N 1 0 350.802 4.167 20 5 FIBDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000509941866 1094393893 /nfs/dbraw/zinc/39/38/93/1094393893.db2.gz HLHQUMNBZMSZDP-MRXNPFEDSA-N 1 0 368.462 4.224 20 5 FIBDRO Cc1ccc([C@@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000237389077 1094522343 /nfs/dbraw/zinc/52/23/43/1094522343.db2.gz BNEPOKLEAXPWAY-INIZCTEOSA-N 1 0 364.449 4.197 20 5 FIBDRO CC(C)(C)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000474833481 1094732409 /nfs/dbraw/zinc/73/24/09/1094732409.db2.gz MCHFRFJXXVCFDL-UHFFFAOYSA-N 1 0 366.421 4.446 20 5 FIBDRO CCCn1nccc1C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000501547158 1094758566 /nfs/dbraw/zinc/75/85/66/1094758566.db2.gz SDSDAHMPSFJBOY-MRXNPFEDSA-N 1 0 356.470 4.450 20 5 FIBDRO CC[C@H](C)[NH2+][C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)c1ccco1 ZINC000413285489 1094862589 /nfs/dbraw/zinc/86/25/89/1094862589.db2.gz XBJOCXNUMPVNFO-GWCFXTLKSA-N 1 0 372.347 4.143 20 5 FIBDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000501852325 1094970410 /nfs/dbraw/zinc/97/04/10/1094970410.db2.gz QTIOXBXIBINTPN-SJLPKXTDSA-N 1 0 367.449 4.110 20 5 FIBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC(OC(C)(C)C)C1 ZINC000421005436 1095238780 /nfs/dbraw/zinc/23/87/80/1095238780.db2.gz JHGOEZGXFDDTST-UHFFFAOYSA-N 1 0 373.453 4.070 20 5 FIBDRO COc1cc(C)c(C[C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000502410253 1095433810 /nfs/dbraw/zinc/43/38/10/1095433810.db2.gz UYOQBMGGJFVTHT-GJZGRUSLSA-N 1 0 358.438 4.202 20 5 FIBDRO COc1cc(C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)c([N+](=O)[O-])cc1F ZINC000502539501 1095563411 /nfs/dbraw/zinc/56/34/11/1095563411.db2.gz FDNGXJPXZSTBDO-GOSISDBHSA-N 1 0 350.365 4.369 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H](O)CC23CCC3)s1 ZINC000421380246 1095580506 /nfs/dbraw/zinc/58/05/06/1095580506.db2.gz XXMKQLZNSDCNHF-AWEZNQCLSA-N 1 0 358.463 4.203 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2CC=CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237234870 1095714186 /nfs/dbraw/zinc/71/41/86/1095714186.db2.gz AKXVRKRHFGOCOI-GOSISDBHSA-N 1 0 368.433 4.381 20 5 FIBDRO COc1cc(C[NH2+][C@@H]2C=CCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237235309 1095715984 /nfs/dbraw/zinc/71/59/84/1095715984.db2.gz WOXPPXVWNWMVKT-GOSISDBHSA-N 1 0 368.433 4.381 20 5 FIBDRO CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)c3ccccc3[N+](=O)[O-])c2)CC1 ZINC000504393454 1096764354 /nfs/dbraw/zinc/76/43/54/1096764354.db2.gz GAHWHAASAZKJIM-KRWDZBQOSA-N 1 0 368.481 4.298 20 5 FIBDRO COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000515502181 1098635496 /nfs/dbraw/zinc/63/54/96/1098635496.db2.gz WEPIMSCXQMVCQV-LJQANCHMSA-N 1 0 355.438 4.243 20 5 FIBDRO C[NH+](C)Cc1ccc(CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc1 ZINC000515490643 1098644296 /nfs/dbraw/zinc/64/42/96/1098644296.db2.gz RGEBFGCVTKLBCC-KRWDZBQOSA-N 1 0 367.371 4.050 20 5 FIBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000515550483 1098691462 /nfs/dbraw/zinc/69/14/62/1098691462.db2.gz NOTMWHYIWABORN-IYBDPMFKSA-N 1 0 356.470 4.313 20 5 FIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ccc(-c4ccccn4)nc3)C2)cc1 ZINC000425470349 1098741172 /nfs/dbraw/zinc/74/11/72/1098741172.db2.gz FNGNJXLQHUJEPA-IBGZPJMESA-N 1 0 374.444 4.431 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C/C=C\c3ccc(F)c(F)c3)c2c1 ZINC000515702082 1098846609 /nfs/dbraw/zinc/84/66/09/1098846609.db2.gz UYZIZEHATBLSKA-UPHRSURJSA-N 1 0 357.360 4.200 20 5 FIBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000533290856 1098939895 /nfs/dbraw/zinc/93/98/95/1098939895.db2.gz SYNAJCITDRVXRZ-RYRKJORJSA-N 1 0 367.449 4.047 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]3c3ccccn3)o2)c1 ZINC000533347898 1098968906 /nfs/dbraw/zinc/96/89/06/1098968906.db2.gz IINWOOPQDWQISO-GOSISDBHSA-N 1 0 364.405 4.024 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425548224 1099010859 /nfs/dbraw/zinc/01/08/59/1099010859.db2.gz GLZJVEYIIBENOM-FQEVSTJZSA-N 1 0 374.481 4.163 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+][C@H](c2ccccc2)C2CCC2)cccc1[N+](=O)[O-] ZINC000533505932 1099111978 /nfs/dbraw/zinc/11/19/78/1099111978.db2.gz QRFGWDWASNDABH-OAQYLSRUSA-N 1 0 367.449 4.363 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000533560038 1099171504 /nfs/dbraw/zinc/17/15/04/1099171504.db2.gz XFAQKIABPSFWLL-AWEZNQCLSA-N 1 0 355.369 4.255 20 5 FIBDRO Cc1ccccc1CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000016585953 1099731750 /nfs/dbraw/zinc/73/17/50/1099731750.db2.gz WBTNFLNSDFABKR-ZDUSSCGKSA-N 1 0 361.829 4.016 20 5 FIBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc(OC)c(OC)c1 ZINC000506016171 1099771461 /nfs/dbraw/zinc/77/14/61/1099771461.db2.gz FPZFWUXXBUYZJR-CLFYSBASSA-N 1 0 356.422 4.147 20 5 FIBDRO CC[N@H+](CCc1cccs1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000508706358 1099874464 /nfs/dbraw/zinc/87/44/64/1099874464.db2.gz KPQYRRBLHMPTIB-UHFFFAOYSA-N 1 0 370.478 4.121 20 5 FIBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000536663261 1100136881 /nfs/dbraw/zinc/13/68/81/1100136881.db2.gz FHRYEUXOICMHFT-INIZCTEOSA-N 1 0 373.522 4.487 20 5 FIBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000536664641 1100140957 /nfs/dbraw/zinc/14/09/57/1100140957.db2.gz RTOISPFQBNQYRK-INIZCTEOSA-N 1 0 373.522 4.487 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459509157 1100264053 /nfs/dbraw/zinc/26/40/53/1100264053.db2.gz BQZVLEQVSHYSKB-MRXNPFEDSA-N 1 0 352.434 4.220 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459650293 1100392023 /nfs/dbraw/zinc/39/20/23/1100392023.db2.gz XLLPIRSQQQPIQC-BBRMVZONSA-N 1 0 372.387 4.337 20 5 FIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(-c4ccccc4F)o3)CC2)n1 ZINC000425987636 1100620478 /nfs/dbraw/zinc/62/04/78/1100620478.db2.gz BJGGLLSRDWLZLR-UHFFFAOYSA-N 1 0 370.384 4.028 20 5 FIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Oc1ccccc1 ZINC000506277164 1100745500 /nfs/dbraw/zinc/74/55/00/1100745500.db2.gz KJDIMHGZFICHKR-HNNXBMFYSA-N 1 0 352.390 4.412 20 5 FIBDRO CC(C)(C)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000438597808 1100785946 /nfs/dbraw/zinc/78/59/46/1100785946.db2.gz MHVVPTSALFRSTA-UHFFFAOYSA-N 1 0 366.421 4.446 20 5 FIBDRO Cn1cc(C[N@H+](Cc2ccccc2)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506342208 1100889240 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O=C(C[NH2+][C@@H](c1ccccc1)C1CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000532686811 1102946167 /nfs/dbraw/zinc/94/61/67/1102946167.db2.gz XPJHUVIKUGCMQO-IBGZPJMESA-N 1 0 373.840 4.318 20 5 FIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000506944008 1102986213 /nfs/dbraw/zinc/98/62/13/1102986213.db2.gz KDBKSXBNDMIUPS-UMVBOHGHSA-N 1 0 371.403 4.455 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](c2ccccc2)C2CCC2)cccc1[N+](=O)[O-] ZINC000532701771 1102997175 /nfs/dbraw/zinc/99/71/75/1102997175.db2.gz USJQNVAFLLGYEM-YWZLYKJASA-N 1 0 367.449 4.361 20 5 FIBDRO COc1cc(C[NH+]2C3CCC2CC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000536633459 1103007054 /nfs/dbraw/zinc/00/70/54/1103007054.db2.gz ZXJHOOIEWVMENM-UHFFFAOYSA-N 1 0 368.433 4.309 20 5 FIBDRO CN(Cc1ccccc1OCc1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC000507147410 1103147949 /nfs/dbraw/zinc/14/79/49/1103147949.db2.gz YIWTZEZAMCTBRE-UHFFFAOYSA-N 1 0 363.417 4.201 20 5 FIBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc21 ZINC000454316562 1103155043 /nfs/dbraw/zinc/15/50/43/1103155043.db2.gz ILOWFFUNZSATPS-KRWDZBQOSA-N 1 0 374.828 4.441 20 5 FIBDRO CC(C)n1cc([C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000532801852 1103220676 /nfs/dbraw/zinc/22/06/76/1103220676.db2.gz FVJAKGUHHXPBNM-BXWFABGCSA-N 1 0 356.470 4.434 20 5 FIBDRO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000192740493 1103420798 /nfs/dbraw/zinc/42/07/98/1103420798.db2.gz SDZOGGFEBWPORC-CZUORRHYSA-N 1 0 372.421 4.401 20 5 FIBDRO O=C(C[C@@H]1CCC[NH2+]CC1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000427387992 1103504299 /nfs/dbraw/zinc/50/42/99/1103504299.db2.gz XWHZTYQDUWIWGP-OAHLLOKOSA-N 1 0 369.421 4.105 20 5 FIBDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC000507616146 1103551229 /nfs/dbraw/zinc/55/12/29/1103551229.db2.gz JWGWSDIWKIYAMX-UHFFFAOYSA-N 1 0 350.422 4.050 20 5 FIBDRO CC[C@@H](C)[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000507675855 1103606358 /nfs/dbraw/zinc/60/63/58/1103606358.db2.gz BKRSTQIIJNWNIG-MRXNPFEDSA-N 1 0 355.438 4.142 20 5 FIBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000537775541 1103942276 /nfs/dbraw/zinc/94/22/76/1103942276.db2.gz GUZQHCITVDYOCJ-SJLPKXTDSA-N 1 0 369.465 4.267 20 5 FIBDRO C[C@H]1C[C@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000537775540 1103942463 /nfs/dbraw/zinc/94/24/63/1103942463.db2.gz GUZQHCITVDYOCJ-FUHWJXTLSA-N 1 0 369.465 4.267 20 5 FIBDRO CC(C)C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000519904618 1103948070 /nfs/dbraw/zinc/94/80/70/1103948070.db2.gz UMAWQLYOGBMVSO-UHFFFAOYSA-N 1 0 366.421 4.303 20 5 FIBDRO COc1ccc(OCC[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000441338166 1104282350 /nfs/dbraw/zinc/28/23/50/1104282350.db2.gz SHXVDYDTCUTSQQ-KSSFIOAISA-N 1 0 374.412 4.204 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000441403298 1104344708 /nfs/dbraw/zinc/34/47/08/1104344708.db2.gz KQHVLVCEUIXTMV-GOEBONIOSA-N 1 0 356.397 4.390 20 5 FIBDRO CC(=O)c1cc(NCc2ccccc2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000550339632 1104372454 /nfs/dbraw/zinc/37/24/54/1104372454.db2.gz TVXWUDYWXPIATI-UHFFFAOYSA-N 1 0 353.422 4.005 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CCO)c3ccco3)s2)cc1 ZINC000184511813 1104502562 /nfs/dbraw/zinc/50/25/62/1104502562.db2.gz GFQXEDOYGUUVHK-MRXNPFEDSA-N 1 0 358.419 4.130 20 5 FIBDRO Cc1ccc(C)c([C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@@H](C)CO2)c1 ZINC000441448600 1104740626 /nfs/dbraw/zinc/74/06/26/1104740626.db2.gz LEQZFFCOXSUFMX-UWJYYQICSA-N 1 0 354.450 4.216 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000080641524 1104933506 /nfs/dbraw/zinc/93/35/06/1104933506.db2.gz HJPHPGILFQCIBX-MRXNPFEDSA-N 1 0 369.465 4.379 20 5 FIBDRO CCOC1CC(CC[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000473996760 1105031221 /nfs/dbraw/zinc/03/12/21/1105031221.db2.gz ZCSBZLSJPITFGW-UHFFFAOYSA-N 1 0 374.437 4.158 20 5 FIBDRO O=[N+]([O-])c1ccccc1OCC[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000059384459 1105370762 /nfs/dbraw/zinc/37/07/62/1105370762.db2.gz XHTCBIAMXIELJH-UHFFFAOYSA-N 1 0 352.390 4.269 20 5 FIBDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000451107197 1106925839 /nfs/dbraw/zinc/92/58/39/1106925839.db2.gz YQNQVYFSUQZXLQ-QWHCGFSZSA-N 1 0 361.829 4.234 20 5 FIBDRO C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(C2CC2)c1 ZINC000451119124 1106930448 /nfs/dbraw/zinc/93/04/48/1106930448.db2.gz ZMJRFSSNMMSRQF-CYBMUJFWSA-N 1 0 364.405 4.373 20 5 FIBDRO CC[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC(F)(F)F ZINC000840876549 1107012060 /nfs/dbraw/zinc/01/20/60/1107012060.db2.gz NVPCVLBOHLBRBK-ZDUSSCGKSA-N 1 0 359.392 4.132 20 5 FIBDRO COc1cccc(NCc2ccc(C[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000475448771 1107055551 /nfs/dbraw/zinc/05/55/51/1107055551.db2.gz ZUAPHTWQBHNRSU-UHFFFAOYSA-N 1 0 355.438 4.201 20 5 FIBDRO COc1cc(C[N@H+](CC2CC2)C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000475671823 1107216358 /nfs/dbraw/zinc/21/63/58/1107216358.db2.gz MLIOELUUCGMUSE-UHFFFAOYSA-N 1 0 370.396 4.012 20 5 FIBDRO C[C@H](O)C[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000248748134 1107276869 /nfs/dbraw/zinc/27/68/69/1107276869.db2.gz BLXBWHXLVBSDKF-KLHJMIIUSA-N 1 0 354.450 4.117 20 5 FIBDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000475502798 1107567611 /nfs/dbraw/zinc/56/76/11/1107567611.db2.gz LFNXEEDVLFPTRI-UHFFFAOYSA-N 1 0 364.449 4.398 20 5 FIBDRO C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1Cl ZINC000531204613 1107645078 /nfs/dbraw/zinc/64/50/78/1107645078.db2.gz ZMUTWKOGKXEYMU-MNOVXSKESA-N 1 0 365.792 4.065 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531333815 1107777463 /nfs/dbraw/zinc/77/74/63/1107777463.db2.gz NHAGRSZXSLVPPM-GOSISDBHSA-N 1 0 363.845 4.109 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-] ZINC000531443942 1107903684 /nfs/dbraw/zinc/90/36/84/1107903684.db2.gz XRAWLAWRZZIAGK-CXAGYDPISA-N 1 0 373.840 4.013 20 5 FIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)cc1C ZINC000909605273 1107982828 /nfs/dbraw/zinc/98/28/28/1107982828.db2.gz YEAAAFQPRMMAES-UHFFFAOYSA-N 1 0 373.478 4.329 20 5 FIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](C)C1 ZINC000520204187 1108020491 /nfs/dbraw/zinc/02/04/91/1108020491.db2.gz UCXJLOWSNZYXMP-CVEARBPZSA-N 1 0 357.454 4.065 20 5 FIBDRO Cc1cc([C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)ccc1F ZINC000444669620 1108073147 /nfs/dbraw/zinc/07/31/47/1108073147.db2.gz FNMJZSQEQFVUBU-LJQANCHMSA-N 1 0 354.385 4.160 20 5 FIBDRO COc1cccc(N2CCC[C@H]([NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000531712108 1108091623 /nfs/dbraw/zinc/09/16/23/1108091623.db2.gz JRAOTTJACDVACI-SJORKVTESA-N 1 0 369.465 4.231 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(Br)s2)ccc1[N+](=O)[O-] ZINC000444760347 1108140280 /nfs/dbraw/zinc/14/02/80/1108140280.db2.gz JWAQBWMDCUJOMO-VIFPVBQESA-N 1 0 371.256 4.278 20 5 FIBDRO Cc1c(C[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)cccc1[N+](=O)[O-] ZINC000453213187 1108284448 /nfs/dbraw/zinc/28/44/48/1108284448.db2.gz OINPVMMJXNAZQW-HNNXBMFYSA-N 1 0 350.422 4.155 20 5 FIBDRO CC[C@H]1CCCCC[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000523554261 1108318675 /nfs/dbraw/zinc/31/86/75/1108318675.db2.gz IFDQCWAKWSZNQQ-ZDUSSCGKSA-N 1 0 358.385 4.359 20 5 FIBDRO C[C@@H]([NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000453295319 1108373187 /nfs/dbraw/zinc/37/31/87/1108373187.db2.gz XMUWMLHXZDKTSZ-PXAZEXFGSA-N 1 0 368.355 4.388 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1CCc2ccccc2C1 ZINC000531945371 1108422643 /nfs/dbraw/zinc/42/26/43/1108422643.db2.gz LPZFVNKRRYZWMR-QGZVFWFLSA-N 1 0 353.466 4.002 20 5 FIBDRO CCOc1ccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1OCC ZINC000531947864 1108426021 /nfs/dbraw/zinc/42/60/21/1108426021.db2.gz GCZGFTXHKLULPX-OAHLLOKOSA-N 1 0 358.438 4.286 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CCC[C@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453368012 1108484599 /nfs/dbraw/zinc/48/45/99/1108484599.db2.gz MQSGRDVGAHBPCN-YWZLYKJASA-N 1 0 358.438 4.246 20 5 FIBDRO CCC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453380753 1108500376 /nfs/dbraw/zinc/50/03/76/1108500376.db2.gz RLJPAOPDYKSZGX-IMFGXOCKSA-N 1 0 355.438 4.341 20 5 FIBDRO CCC[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453380756 1108500832 /nfs/dbraw/zinc/50/08/32/1108500832.db2.gz RLJPAOPDYKSZGX-YVWKXTFCSA-N 1 0 355.438 4.341 20 5 FIBDRO CC[NH+](CC)[C@@H](c1nc(-c2ccc([N+](=O)[O-])s2)no1)c1ccccc1 ZINC000520458323 1108761378 /nfs/dbraw/zinc/76/13/78/1108761378.db2.gz SCHZEKKXPHAJHR-OAHLLOKOSA-N 1 0 358.423 4.138 20 5 FIBDRO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@@H](O)C(F)(F)F ZINC000428424271 1109059287 /nfs/dbraw/zinc/05/92/87/1109059287.db2.gz XCLVQWIISMYCMP-OAHLLOKOSA-N 1 0 374.384 4.068 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CCc2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000152209148 1109206157 /nfs/dbraw/zinc/20/61/57/1109206157.db2.gz MVTSCNDNRFQSTR-JTQLQIEISA-N 1 0 359.373 4.272 20 5 FIBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000446834308 1109355894 /nfs/dbraw/zinc/35/58/94/1109355894.db2.gz GZEAUQNDJNMQIO-SFHVURJKSA-N 1 0 362.401 4.023 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CCC(c4ccccc4)CC3)nc2c1 ZINC000446844236 1109363135 /nfs/dbraw/zinc/36/31/35/1109363135.db2.gz GDLXVAMUIDJLNS-UHFFFAOYSA-N 1 0 350.422 4.287 20 5 FIBDRO COc1ccc(OCC[N@H+](C)[C@H](C)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000441216437 1109469038 /nfs/dbraw/zinc/46/90/38/1109469038.db2.gz JAKCHHYXNYEMLA-CYBMUJFWSA-N 1 0 364.829 4.329 20 5 FIBDRO CC1(C)[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]2CCCO[C@@H]21 ZINC000525709613 1109487722 /nfs/dbraw/zinc/48/77/22/1109487722.db2.gz UKOMACRUWAGVLA-BBWFWOEESA-N 1 0 373.478 4.012 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCC(F)(F)F)cc1[N+](=O)[O-] ZINC000525709122 1109488418 /nfs/dbraw/zinc/48/84/18/1109488418.db2.gz REXOVJTVGLLNLI-UHFFFAOYSA-N 1 0 353.344 4.405 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCSc2ccccc2)n1 ZINC000447518751 1109559415 /nfs/dbraw/zinc/55/94/15/1109559415.db2.gz WTUYTHWROKGSIJ-DLBZAZTESA-N 1 0 360.483 4.047 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1cc2ccccc2s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000525951748 1109561552 /nfs/dbraw/zinc/56/15/52/1109561552.db2.gz DPFAJFVHFOZRKU-STQMWFEESA-N 1 0 369.446 4.487 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(C(F)(F)F)cc2)n1 ZINC000447532501 1109569727 /nfs/dbraw/zinc/56/97/27/1109569727.db2.gz UGWDXEOBFVOOTP-CABCVRRESA-N 1 0 368.359 4.084 20 5 FIBDRO COc1ccc(CCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000447533438 1109570256 /nfs/dbraw/zinc/57/02/56/1109570256.db2.gz XLTHZRMBCGJMEI-LJQANCHMSA-N 1 0 370.449 4.212 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2csc3ccccc23)n1 ZINC000447547478 1109574963 /nfs/dbraw/zinc/57/49/63/1109574963.db2.gz CDQUNHXSZCXGIC-HOTGVXAUSA-N 1 0 356.451 4.280 20 5 FIBDRO CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447588927 1109588221 /nfs/dbraw/zinc/58/82/21/1109588221.db2.gz VXIWIPIVSVRDBG-RJYAGPCLSA-N 1 0 374.481 4.462 20 5 FIBDRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000449080018 1109975092 /nfs/dbraw/zinc/97/50/92/1109975092.db2.gz RZBBKZODDKYYGN-GJZGRUSLSA-N 1 0 358.438 4.202 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000449171443 1109987851 /nfs/dbraw/zinc/98/78/51/1109987851.db2.gz AGCXAVLAYDTYKE-LVCYWYKZSA-N 1 0 367.493 4.169 20 5 FIBDRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449223401 1110001345 /nfs/dbraw/zinc/00/13/45/1110001345.db2.gz JNQNISKZXWYECM-GJZGRUSLSA-N 1 0 352.438 4.246 20 5 FIBDRO Cc1c(C[NH2+]Cc2cnc(CCc3ccccc3)s2)cccc1[N+](=O)[O-] ZINC000449278628 1110013808 /nfs/dbraw/zinc/01/38/08/1110013808.db2.gz LAXBCRZZQNNIDK-UHFFFAOYSA-N 1 0 367.474 4.435 20 5 FIBDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000449427821 1110065061 /nfs/dbraw/zinc/06/50/61/1110065061.db2.gz POWUJVIWEWQERC-AWEZNQCLSA-N 1 0 362.401 4.167 20 5 FIBDRO Cc1cccnc1CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449482943 1110089455 /nfs/dbraw/zinc/08/94/55/1110089455.db2.gz FATHSQJIHPPPGV-UHFFFAOYSA-N 1 0 351.406 4.281 20 5 FIBDRO CCC1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)COC1 ZINC000449605868 1110126156 /nfs/dbraw/zinc/12/61/56/1110126156.db2.gz ZXGQQFYQUOXMON-UHFFFAOYSA-N 1 0 360.385 4.042 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000449619072 1110126758 /nfs/dbraw/zinc/12/67/58/1110126758.db2.gz BXLKULISDQZZSV-QGPMSJSTSA-N 1 0 360.479 4.487 20 5 FIBDRO C[NH+](C)[C@H]1CCOc2c(Nc3nccc4c3cccc4[N+](=O)[O-])cccc21 ZINC000450491976 1110305954 /nfs/dbraw/zinc/30/59/54/1110305954.db2.gz QXVDBDWVTYQOML-KRWDZBQOSA-N 1 0 364.405 4.272 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(C(=O)OC)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000450686579 1110330156 /nfs/dbraw/zinc/33/01/56/1110330156.db2.gz UYCWVLMSWMQSAB-KRWDZBQOSA-N 1 0 362.813 4.276 20 5 FIBDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000538355031 1111107928 /nfs/dbraw/zinc/10/79/28/1111107928.db2.gz DSSKZJDJXODFCQ-ACJLOTCBSA-N 1 0 366.421 4.002 20 5 FIBDRO C[C@]1([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCOC1 ZINC000538427753 1111132832 /nfs/dbraw/zinc/13/28/32/1111132832.db2.gz PRHLZJJFJAPZTG-SFHVURJKSA-N 1 0 362.813 4.309 20 5 FIBDRO Cn1cc(C[NH2+][C@H]2C[C@H]2C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538602891 1111209846 /nfs/dbraw/zinc/20/98/46/1111209846.db2.gz NKUKBYQBSKBHCH-OALUTQOASA-N 1 0 354.454 4.054 20 5 FIBDRO COC[C@@H]1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000538729768 1111267049 /nfs/dbraw/zinc/26/70/49/1111267049.db2.gz SUJHRZMEIXQNBW-GOSISDBHSA-N 1 0 369.465 4.221 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C4CCOCC4)C3)o2)cc1 ZINC000538752960 1111283395 /nfs/dbraw/zinc/28/33/95/1111283395.db2.gz YUSCTGQFMQHHKC-QGZVFWFLSA-N 1 0 356.422 4.103 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000539052818 1111400749 /nfs/dbraw/zinc/40/07/49/1111400749.db2.gz OERQQVYJPZIDHN-BLLLJJGKSA-N 1 0 368.355 4.306 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000539069457 1111418053 /nfs/dbraw/zinc/41/80/53/1111418053.db2.gz FMAQGIIOMDYNTM-ZFWWWQNUSA-N 1 0 373.840 4.013 20 5 FIBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(-c2ccncc2)c1 ZINC000539070337 1111418806 /nfs/dbraw/zinc/41/88/06/1111418806.db2.gz JZFFRGCWHQDOEN-INIZCTEOSA-N 1 0 363.417 4.386 20 5 FIBDRO Cc1cc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461950235 1111436694 /nfs/dbraw/zinc/43/66/94/1111436694.db2.gz UPNCSLPTOCQEFP-AWEZNQCLSA-N 1 0 358.417 4.075 20 5 FIBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1OC(F)F ZINC000462109908 1111501364 /nfs/dbraw/zinc/50/13/64/1111501364.db2.gz BYWDAMAEHFWJDW-AWEZNQCLSA-N 1 0 367.352 4.038 20 5 FIBDRO CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000539377059 1111533554 /nfs/dbraw/zinc/53/35/54/1111533554.db2.gz PRLHGKYTPZZQEB-HOTGVXAUSA-N 1 0 361.486 4.124 20 5 FIBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000553510204 1111992129 /nfs/dbraw/zinc/99/21/29/1111992129.db2.gz XOOHAWZKTCPTBQ-AEFFLSMTSA-N 1 0 359.473 4.087 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@H]2CCCc3ccc(F)cc32)n1 ZINC000479475528 1112037232 /nfs/dbraw/zinc/03/72/32/1112037232.db2.gz NCJXTEBRFZRFLU-BZSNNMDCSA-N 1 0 358.417 4.081 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000479539320 1112062067 /nfs/dbraw/zinc/06/20/67/1112062067.db2.gz RKXBFNGBFSWJDM-LEUOFYLZSA-N 1 0 374.872 4.464 20 5 FIBDRO COc1cc([C@@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(F)cn1 ZINC000554094677 1112191236 /nfs/dbraw/zinc/19/12/36/1112191236.db2.gz JMBKUUITQKOXPY-SECBINFHSA-N 1 0 373.306 4.007 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)C1CC1 ZINC000480073303 1112268825 /nfs/dbraw/zinc/26/88/25/1112268825.db2.gz UICAOCWNNZGGJJ-KRWDZBQOSA-N 1 0 362.376 4.307 20 5 FIBDRO CCC[C@@H]([NH2+]CCCn1cnc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000480161079 1112308947 /nfs/dbraw/zinc/30/89/47/1112308947.db2.gz QSRGAJPBEPXXAX-GOSISDBHSA-N 1 0 352.438 4.466 20 5 FIBDRO Cc1ccc(C(=O)CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000480550550 1112471911 /nfs/dbraw/zinc/47/19/11/1112471911.db2.gz JGUKITJMNDGSJF-UHFFFAOYSA-N 1 0 368.433 4.019 20 5 FIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000480662339 1112543287 /nfs/dbraw/zinc/54/32/87/1112543287.db2.gz KDAIGCWVNDNDTM-CYBMUJFWSA-N 1 0 372.856 4.246 20 5 FIBDRO Cc1cc(NC2CC([NH+]3CCCCC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000480826757 1112618334 /nfs/dbraw/zinc/61/83/34/1112618334.db2.gz IIOASVCCNSWGIQ-UHFFFAOYSA-N 1 0 368.275 4.095 20 5 FIBDRO C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000481304158 1112877529 /nfs/dbraw/zinc/87/75/29/1112877529.db2.gz DAFXQVZQUYZJQA-SUMWQHHRSA-N 1 0 359.495 4.314 20 5 FIBDRO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000481304152 1112877561 /nfs/dbraw/zinc/87/75/61/1112877561.db2.gz DAFXQVZQUYZJQA-DYVFJYSZSA-N 1 0 359.495 4.314 20 5 FIBDRO CC[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000481320313 1112891601 /nfs/dbraw/zinc/89/16/01/1112891601.db2.gz ZNUITQZFAZWVGJ-NRFANRHFSA-N 1 0 371.456 4.439 20 5 FIBDRO COc1cc(C[NH2+]CC[C@H](C)F)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000555616039 1112949461 /nfs/dbraw/zinc/94/94/61/1112949461.db2.gz JLKYUIBBQWRBBD-AWEZNQCLSA-N 1 0 362.401 4.020 20 5 FIBDRO CC1(C)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]2CCC[C@H]21 ZINC000555721353 1112978608 /nfs/dbraw/zinc/97/86/08/1112978608.db2.gz LNMNNRVKNBLXBB-SJORKVTESA-N 1 0 355.438 4.303 20 5 FIBDRO Cc1cc(C)cc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000556045008 1113123846 /nfs/dbraw/zinc/12/38/46/1113123846.db2.gz KGMWBHUGEIZANP-UHFFFAOYSA-N 1 0 364.449 4.244 20 5 FIBDRO CC(C)(C)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1 ZINC000482712579 1113339075 /nfs/dbraw/zinc/33/90/75/1113339075.db2.gz WCTRYFBMTWRGJM-SFHVURJKSA-N 1 0 356.401 4.487 20 5 FIBDRO COc1cccc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000483151670 1113455417 /nfs/dbraw/zinc/45/54/17/1113455417.db2.gz AQFOFXUGGBAPST-AEFFLSMTSA-N 1 0 369.465 4.231 20 5 FIBDRO CCC[C@@H](O)C[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000489075839 1114042254 /nfs/dbraw/zinc/04/22/54/1114042254.db2.gz WXMOILQQWBSYRQ-MRXNPFEDSA-N 1 0 360.479 4.305 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000490388596 1114284139 /nfs/dbraw/zinc/28/41/39/1114284139.db2.gz XRKHCXSGQZRXGM-KRWDZBQOSA-N 1 0 354.450 4.380 20 5 FIBDRO COc1cc(C[N@@H+]2CCCCC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490545427 1114299006 /nfs/dbraw/zinc/29/90/06/1114299006.db2.gz MKRATCQWBPYJJM-GFCCVEGCSA-N 1 0 358.385 4.012 20 5 FIBDRO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000491035724 1114364238 /nfs/dbraw/zinc/36/42/38/1114364238.db2.gz JZWOKVIHYALPEA-AVRDEDQJSA-N 1 0 367.493 4.394 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@H]2C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491089490 1114372144 /nfs/dbraw/zinc/37/21/44/1114372144.db2.gz GBNRCWMPEIVJLJ-AWEZNQCLSA-N 1 0 370.396 4.012 20 5 FIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)C1 ZINC000054794173 1114389633 /nfs/dbraw/zinc/38/96/33/1114389633.db2.gz LUFQKLIJWIXFIS-CQSZACIVSA-N 1 0 371.412 4.218 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000055460369 1114474916 /nfs/dbraw/zinc/47/49/16/1114474916.db2.gz ZHVHXOJKQCNZCQ-AWEZNQCLSA-N 1 0 371.412 4.361 20 5 FIBDRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000056170596 1114639985 /nfs/dbraw/zinc/63/99/85/1114639985.db2.gz YDHBTFZHDKKGLO-CABCVRRESA-N 1 0 371.437 4.060 20 5 FIBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000588815105 1114643004 /nfs/dbraw/zinc/64/30/04/1114643004.db2.gz JZYHKCBAXAISEJ-UHFFFAOYSA-N 1 0 371.485 4.108 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](F)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000588929966 1114676578 /nfs/dbraw/zinc/67/65/78/1114676578.db2.gz NGXAIVNQBWAIRC-IAGOWNOFSA-N 1 0 374.412 4.163 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](F)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000588929965 1114676702 /nfs/dbraw/zinc/67/67/02/1114676702.db2.gz NGXAIVNQBWAIRC-DLBZAZTESA-N 1 0 374.412 4.163 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000588954795 1114679786 /nfs/dbraw/zinc/67/97/86/1114679786.db2.gz QFYPLCLYJQGCJZ-IBGZPJMESA-N 1 0 351.406 4.122 20 5 FIBDRO O=[N+]([O-])c1sccc1N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000590061496 1114891485 /nfs/dbraw/zinc/89/14/85/1114891485.db2.gz MAKBFBVKBVSBIZ-UHFFFAOYSA-N 1 0 357.479 4.149 20 5 FIBDRO CC[NH+](CC)Cc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3C)no2)o1 ZINC000590778944 1114972864 /nfs/dbraw/zinc/97/28/64/1114972864.db2.gz NPNANOOQKPMHGC-UHFFFAOYSA-N 1 0 356.382 4.055 20 5 FIBDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591348044 1115068436 /nfs/dbraw/zinc/06/84/36/1115068436.db2.gz YCPMHGRILGSIQP-UXHICEINSA-N 1 0 368.433 4.484 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+]C2(c3ccccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000592137755 1115206623 /nfs/dbraw/zinc/20/66/23/1115206623.db2.gz ORLWWFVFYWLJFR-UHFFFAOYSA-N 1 0 373.840 4.164 20 5 FIBDRO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000592153476 1115216102 /nfs/dbraw/zinc/21/61/02/1115216102.db2.gz DLFIUUOOFVGEJJ-NVXWUHKLSA-N 1 0 370.453 4.293 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000574471245 1115375191 /nfs/dbraw/zinc/37/51/91/1115375191.db2.gz ATAPSNTWFNUZSS-OJWOGGGRSA-N 1 0 352.434 4.102 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001168404593 1115435179 /nfs/dbraw/zinc/43/51/79/1115435179.db2.gz SUOHCYMFPYJIHW-KCPJHIHWSA-N 1 0 353.260 4.368 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000594494699 1115450175 /nfs/dbraw/zinc/45/01/75/1115450175.db2.gz RTTSNOTYYVAVHX-IBGZPJMESA-N 1 0 366.465 4.147 20 5 FIBDRO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000594503324 1115451432 /nfs/dbraw/zinc/45/14/32/1115451432.db2.gz JJKZBAJFXWKNCD-ORAYPTAESA-N 1 0 354.406 4.110 20 5 FIBDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])CCO2 ZINC000594501181 1115451452 /nfs/dbraw/zinc/45/14/52/1115451452.db2.gz SONMDJIHZHEKJR-MSOLQXFVSA-N 1 0 354.406 4.094 20 5 FIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000594516763 1115458320 /nfs/dbraw/zinc/45/83/20/1115458320.db2.gz FLQPOYXWTOGENS-OLZOCXBDSA-N 1 0 369.412 4.116 20 5 FIBDRO COCc1csc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000594937378 1115500881 /nfs/dbraw/zinc/50/08/81/1115500881.db2.gz IKSAPQJGSCEOBX-UHFFFAOYSA-N 1 0 360.357 4.111 20 5 FIBDRO CSCC1(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000594963290 1115503128 /nfs/dbraw/zinc/50/31/28/1115503128.db2.gz MAQBCQVEKNMCQE-UHFFFAOYSA-N 1 0 363.508 4.341 20 5 FIBDRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1OC ZINC000595005629 1115507369 /nfs/dbraw/zinc/50/73/69/1115507369.db2.gz BTVFNDWTLCJALT-ZIAGYGMSSA-N 1 0 374.437 4.341 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000595009390 1115507752 /nfs/dbraw/zinc/50/77/52/1115507752.db2.gz RUCNXTKBXZGAPP-SUNYJGFJSA-N 1 0 350.459 4.095 20 5 FIBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000595031748 1115510508 /nfs/dbraw/zinc/51/05/08/1115510508.db2.gz CKXIKMCSYPTGFT-YEWWUXTCSA-N 1 0 350.459 4.238 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]C[C@@]2(C)CC2(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595081187 1115517740 /nfs/dbraw/zinc/51/77/40/1115517740.db2.gz QKAVZRKXLDMZKK-DLBZAZTESA-N 1 0 350.365 4.475 20 5 FIBDRO Cc1noc(CN(Cc2ccc(Br)cc2)C(C)C)c1[N+](=O)[O-] ZINC000595295791 1115521294 /nfs/dbraw/zinc/52/12/94/1115521294.db2.gz RWZYPYKVUKUQQW-UHFFFAOYSA-N 1 0 368.231 4.064 20 5 FIBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000593016392 1115537326 /nfs/dbraw/zinc/53/73/26/1115537326.db2.gz OKKJIDYUCZDQBS-LJQANCHMSA-N 1 0 372.396 4.152 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509143 1115539599 /nfs/dbraw/zinc/53/95/99/1115539599.db2.gz CORIVDPEQXETOM-UHFFFAOYSA-N 1 0 359.857 4.002 20 5 FIBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](CC(C)C)c2cccs2)c1 ZINC000593023037 1115540744 /nfs/dbraw/zinc/54/07/44/1115540744.db2.gz OCCUEIXDEUBREL-OAHLLOKOSA-N 1 0 362.451 4.320 20 5 FIBDRO COc1ccc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)cc1[N+](=O)[O-] ZINC000595879558 1115565422 /nfs/dbraw/zinc/56/54/22/1115565422.db2.gz SVPPTXRFZBAFOC-UHFFFAOYSA-N 1 0 366.417 4.044 20 5 FIBDRO COc1cc(NC2CC[NH+](C3CCCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596154023 1115575802 /nfs/dbraw/zinc/57/58/02/1115575802.db2.gz JEPFKHDUWQRSPG-UHFFFAOYSA-N 1 0 353.850 4.076 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC(c4ccon4)CC3)o2)c1 ZINC000597227901 1115649651 /nfs/dbraw/zinc/64/96/51/1115649651.db2.gz IIPLCNAGLBPCOL-UHFFFAOYSA-N 1 0 353.378 4.222 20 5 FIBDRO COc1cc(C[NH2+]Cc2ccco2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061002482 1115747725 /nfs/dbraw/zinc/74/77/25/1115747725.db2.gz SKYLNVMIPUSQNL-UHFFFAOYSA-N 1 0 368.389 4.065 20 5 FIBDRO Cc1cccc([C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)C)c1 ZINC000598998935 1115776088 /nfs/dbraw/zinc/77/60/88/1115776088.db2.gz ZHLAOVXFSWHNIG-LJQANCHMSA-N 1 0 356.422 4.257 20 5 FIBDRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000599036383 1115780764 /nfs/dbraw/zinc/78/07/64/1115780764.db2.gz QBUAVIKRZBEVMC-JTQLQIEISA-N 1 0 373.762 4.383 20 5 FIBDRO Cn1ccnc1[C@@H]([NH2+]CC(C1CCC1)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599056772 1115785165 /nfs/dbraw/zinc/78/51/65/1115785165.db2.gz NOEMAMCKLSBFAV-FQEVSTJZSA-N 1 0 368.481 4.224 20 5 FIBDRO CCC(F)(F)C(C)(C)CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000599082561 1115787951 /nfs/dbraw/zinc/78/79/51/1115787951.db2.gz ZNZVXBOMAAQQOH-HNNXBMFYSA-N 1 0 366.412 4.079 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1CC(F)(F)F ZINC000599092668 1115788367 /nfs/dbraw/zinc/78/83/67/1115788367.db2.gz RKNHHCOWAOWSGX-INIZCTEOSA-N 1 0 350.340 4.477 20 5 FIBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cc(OC)c(OC)c(OC)c1 ZINC000593704199 1115800669 /nfs/dbraw/zinc/80/06/69/1115800669.db2.gz ASQYXFHIEKCGMP-DYVFJYSZSA-N 1 0 374.437 4.423 20 5 FIBDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]2CCCC[C@H]12 ZINC000603846835 1115820645 /nfs/dbraw/zinc/82/06/45/1115820645.db2.gz CXDPQLUKNNYLJA-KBRIMQKVSA-N 1 0 356.426 4.045 20 5 FIBDRO CC1CC[NH+](Cc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000603910612 1115829827 /nfs/dbraw/zinc/82/98/27/1115829827.db2.gz VLSDUEPYVDWYRP-UHFFFAOYSA-N 1 0 353.422 4.079 20 5 FIBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000604419108 1115864989 /nfs/dbraw/zinc/86/49/89/1115864989.db2.gz JKAANQZADVRWNS-KRWDZBQOSA-N 1 0 371.456 4.473 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H]2CCc3nc(-c4ccccc4)ncc3C2)cc1[N+](=O)[O-] ZINC000604557358 1115869061 /nfs/dbraw/zinc/86/90/61/1115869061.db2.gz MVWWVPDENRECNU-LJQANCHMSA-N 1 0 374.444 4.007 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000594043974 1115977504 /nfs/dbraw/zinc/97/75/04/1115977504.db2.gz LHMANWSTRSGNED-CYBMUJFWSA-N 1 0 369.412 4.035 20 5 FIBDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172903576 1116002612 /nfs/dbraw/zinc/00/26/12/1116002612.db2.gz MKHIOSWPECHRCB-FQEVSTJZSA-N 1 0 365.437 4.140 20 5 FIBDRO Cc1c(NC(=O)CC[NH+]2CCC3(CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000608833462 1116130673 /nfs/dbraw/zinc/13/06/73/1116130673.db2.gz DKWMROSZDCJDLA-UHFFFAOYSA-N 1 0 359.470 4.278 20 5 FIBDRO CC(C)[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCCC1 ZINC000608835646 1116130952 /nfs/dbraw/zinc/13/09/52/1116130952.db2.gz GJPILWHAXRJSLV-LJQANCHMSA-N 1 0 357.454 4.065 20 5 FIBDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000608836566 1116131308 /nfs/dbraw/zinc/13/13/08/1116131308.db2.gz UJGJOBNXBQPOGP-GHMZBOCLSA-N 1 0 365.227 4.363 20 5 FIBDRO CC[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCCC1 ZINC000608836345 1116131337 /nfs/dbraw/zinc/13/13/37/1116131337.db2.gz MZENFVHWYSRUAZ-HNNXBMFYSA-N 1 0 359.495 4.287 20 5 FIBDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000608973211 1116138911 /nfs/dbraw/zinc/13/89/11/1116138911.db2.gz HOJYWXFLLZOWGE-UHFFFAOYSA-N 1 0 357.429 4.082 20 5 FIBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)ccc21 ZINC000456291107 1116174705 /nfs/dbraw/zinc/17/47/05/1116174705.db2.gz YSMAHVOTQUCIMX-QGZVFWFLSA-N 1 0 359.813 4.049 20 5 FIBDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CCc4ccc([N+](=O)[O-])cc4)C3)nc2c1 ZINC000534952030 1116255542 /nfs/dbraw/zinc/25/55/42/1116255542.db2.gz SHCMFTSSVDOAJB-QGZVFWFLSA-N 1 0 364.449 4.202 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@@H]3c3ccccn3)cs2)c1 ZINC000535067253 1116266553 /nfs/dbraw/zinc/26/65/53/1116266553.db2.gz FPQWXROQAGLMIX-GOSISDBHSA-N 1 0 366.446 4.450 20 5 FIBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000539545883 1116341959 /nfs/dbraw/zinc/34/19/59/1116341959.db2.gz SSNURSJIVCYCHU-CHWSQXEVSA-N 1 0 364.829 4.413 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-] ZINC000539652173 1116358859 /nfs/dbraw/zinc/35/88/59/1116358859.db2.gz LVQBSYLHQHZIIR-CYBMUJFWSA-N 1 0 370.405 4.062 20 5 FIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000443220255 1116383449 /nfs/dbraw/zinc/38/34/49/1116383449.db2.gz VJEKDMBAPILAGB-ZIAGYGMSSA-N 1 0 367.405 4.409 20 5 FIBDRO C[C@H](c1ccsc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000462698822 1116392141 /nfs/dbraw/zinc/39/21/41/1116392141.db2.gz HMBOYXYSXMAGJQ-CQSZACIVSA-N 1 0 368.462 4.088 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000539884935 1116396779 /nfs/dbraw/zinc/39/67/79/1116396779.db2.gz BWICYNGBBQITLB-MRXNPFEDSA-N 1 0 370.840 4.263 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](OC)c1ccc(Cl)cc1 ZINC000462737997 1117743234 /nfs/dbraw/zinc/74/32/34/1117743234.db2.gz JVTFSFAVNVPWKA-GOSISDBHSA-N 1 0 364.829 4.124 20 5 FIBDRO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1F ZINC000462758757 1117758746 /nfs/dbraw/zinc/75/87/46/1117758746.db2.gz WUDHMNAQURGIDX-JTQLQIEISA-N 1 0 372.318 4.368 20 5 FIBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccc(F)cc1 ZINC000462779230 1117763116 /nfs/dbraw/zinc/76/31/16/1117763116.db2.gz RZNFDKPMSHYJLL-OAHLLOKOSA-N 1 0 369.343 4.050 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c(Cl)c1 ZINC000462905091 1117850689 /nfs/dbraw/zinc/85/06/89/1117850689.db2.gz BTVFLVIUVMMRHL-CYBMUJFWSA-N 1 0 363.820 4.003 20 5 FIBDRO CC(C)(C)c1nnc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000540158012 1117902126 /nfs/dbraw/zinc/90/21/26/1117902126.db2.gz RFAAITYTWWLHKA-HIFRSBDPSA-N 1 0 374.510 4.245 20 5 FIBDRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 ZINC000540153845 1117907220 /nfs/dbraw/zinc/90/72/20/1117907220.db2.gz JWWMPDDZFZMCCU-WBVHZDCISA-N 1 0 364.449 4.371 20 5 FIBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000463189547 1118006613 /nfs/dbraw/zinc/00/66/13/1118006613.db2.gz ATIASSCSAWWBQR-YGRLIQCLSA-N 1 0 368.424 4.025 20 5 FIBDRO Cc1c(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000463278412 1118065519 /nfs/dbraw/zinc/06/55/19/1118065519.db2.gz BRVRLOWVTWFEIR-UHFFFAOYSA-N 1 0 373.884 4.311 20 5 FIBDRO CCC[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000540600077 1118141453 /nfs/dbraw/zinc/14/14/53/1118141453.db2.gz ZZXSAZWIPMYBRD-KRWDZBQOSA-N 1 0 352.818 4.149 20 5 FIBDRO C[C@H](CCO)C1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000540609276 1118148665 /nfs/dbraw/zinc/14/86/65/1118148665.db2.gz ZZKROTPOFGZTBP-AOIWGVFYSA-N 1 0 360.498 4.084 20 5 FIBDRO CCSCC[C@@H](C)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000464050749 1118414011 /nfs/dbraw/zinc/41/40/11/1118414011.db2.gz NJQQJFOBNSKVRW-CYBMUJFWSA-N 1 0 364.467 4.485 20 5 FIBDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000541203963 1118422904 /nfs/dbraw/zinc/42/29/04/1118422904.db2.gz NHMFWWNPWGDSDL-CHWSQXEVSA-N 1 0 364.829 4.290 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]CC[C@H]3CCO[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000541371766 1118492127 /nfs/dbraw/zinc/49/21/27/1118492127.db2.gz SELUICKDIXYMSM-GJZGRUSLSA-N 1 0 374.437 4.158 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCCC(C)(C)CO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541544912 1118549796 /nfs/dbraw/zinc/54/97/96/1118549796.db2.gz GVIRAYGTIUSTOO-LJQANCHMSA-N 1 0 360.454 4.228 20 5 FIBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(Cl)s1 ZINC000541627645 1118587819 /nfs/dbraw/zinc/58/78/19/1118587819.db2.gz UJRMWTYERBTKIC-LBPRGKRZSA-N 1 0 367.858 4.298 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000541773008 1118645229 /nfs/dbraw/zinc/64/52/29/1118645229.db2.gz NHNMKYRMYNBZBQ-GOSISDBHSA-N 1 0 354.406 4.012 20 5 FIBDRO COc1c(Br)cccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090230176 1118755523 /nfs/dbraw/zinc/75/55/23/1118755523.db2.gz HDKOKXANQJGIPB-NSHDSACASA-N 1 0 365.227 4.217 20 5 FIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000030449825 1118999698 /nfs/dbraw/zinc/99/96/98/1118999698.db2.gz RLCCSDVUOQPFIC-SFHVURJKSA-N 1 0 373.840 4.318 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000492002137 1119001679 /nfs/dbraw/zinc/00/16/79/1119001679.db2.gz RWORZXRYRYSQSK-HKBKRHGFSA-N 1 0 355.413 4.006 20 5 FIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000152209768 1119160297 /nfs/dbraw/zinc/16/02/97/1119160297.db2.gz SNCKIUJWJINRNZ-HNNXBMFYSA-N 1 0 374.746 4.090 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)ccc1[N+](=O)[O-] ZINC000492786274 1119188575 /nfs/dbraw/zinc/18/85/75/1119188575.db2.gz XUUQCJBPVXNBTM-ZDUSSCGKSA-N 1 0 374.412 4.382 20 5 FIBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000492771370 1119189801 /nfs/dbraw/zinc/18/98/01/1119189801.db2.gz MCGFLPLYVNMHMC-IPELMVKDSA-N 1 0 362.470 4.019 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)c2ccccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000492825713 1119196873 /nfs/dbraw/zinc/19/68/73/1119196873.db2.gz CVPUDLQPGQITNO-LLVKDONJSA-N 1 0 352.337 4.056 20 5 FIBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1Cl ZINC000761528198 1119409993 /nfs/dbraw/zinc/40/99/93/1119409993.db2.gz OGCJTHWBSMJCFA-INIZCTEOSA-N 1 0 355.221 4.379 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCC[C@H]3Cc3ccccc3)nc2c1 ZINC000493521289 1119472933 /nfs/dbraw/zinc/47/29/33/1119472933.db2.gz HAXAWCQEGTYCET-DOTOQJQBSA-N 1 0 351.406 4.237 20 5 FIBDRO CCc1nc(C)c(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)o1 ZINC000494340479 1119828426 /nfs/dbraw/zinc/82/84/26/1119828426.db2.gz KPMQQGRLOOJCOY-UHFFFAOYSA-N 1 0 357.435 4.472 20 5 FIBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C12CCC2 ZINC000494514754 1119884408 /nfs/dbraw/zinc/88/44/08/1119884408.db2.gz XGHRQEYHSWFAGV-HUUCEWRRSA-N 1 0 358.360 4.051 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000153352506 1120531390 /nfs/dbraw/zinc/53/13/90/1120531390.db2.gz NFWWBJFNZJAIAO-HNNXBMFYSA-N 1 0 355.438 4.470 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)cc1[N+](=O)[O-] ZINC001203451405 1120560767 /nfs/dbraw/zinc/56/07/67/1120560767.db2.gz BJPZDHLDBDNXHG-CGTJXYLNSA-N 1 0 373.250 4.094 20 5 FIBDRO CCc1nc(C)c([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000495414888 1120793663 /nfs/dbraw/zinc/79/36/63/1120793663.db2.gz KWBBMXQFFPJMQK-SNVBAGLBSA-N 1 0 353.875 4.469 20 5 FIBDRO C[C@@H]([NH2+]CCNc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000495414789 1120798050 /nfs/dbraw/zinc/79/80/50/1120798050.db2.gz JZTHOZRMJFZEJJ-GFCCVEGCSA-N 1 0 364.243 4.120 20 5 FIBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c1 ZINC000027235935 1120863956 /nfs/dbraw/zinc/86/39/56/1120863956.db2.gz PQZNQBMJLZIXIO-UHFFFAOYSA-N 1 0 354.406 4.268 20 5 FIBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)[NH+](C)C)cc1 ZINC000301065442 1120906406 /nfs/dbraw/zinc/90/64/06/1120906406.db2.gz DCWKUNSYHXVAJI-FQEVSTJZSA-N 1 0 350.422 4.166 20 5 FIBDRO C[NH+](C)CCCOc1ccc(CNc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000487941813 1120916341 /nfs/dbraw/zinc/91/63/41/1120916341.db2.gz FIYWNTPCNSKUGS-UHFFFAOYSA-N 1 0 363.845 4.191 20 5 FIBDRO Cc1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1[N+](=O)[O-] ZINC000153616027 1120949740 /nfs/dbraw/zinc/94/97/40/1120949740.db2.gz GGTLVLNEOCIGLP-KRWDZBQOSA-N 1 0 374.485 4.023 20 5 FIBDRO CC(C)OCCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000236797782 1120969780 /nfs/dbraw/zinc/96/97/80/1120969780.db2.gz WHYHEIBSXQHLSI-UHFFFAOYSA-N 1 0 362.401 4.431 20 5 FIBDRO CCOc1ccc([C@H](C)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000090585819 1121015471 /nfs/dbraw/zinc/01/54/71/1121015471.db2.gz HDBIYJWYJMLIRX-DLBZAZTESA-N 1 0 363.502 4.012 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000090656828 1121102320 /nfs/dbraw/zinc/10/23/20/1121102320.db2.gz XYKDYLMCYXMZDE-QFBILLFUSA-N 1 0 356.466 4.356 20 5 FIBDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000552875478 1121342703 /nfs/dbraw/zinc/34/27/03/1121342703.db2.gz VSCVCXQQDJEUQG-PXAZEXFGSA-N 1 0 364.829 4.413 20 5 FIBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC001168509606 1121476517 /nfs/dbraw/zinc/47/65/17/1121476517.db2.gz MTZMSDYKXNHHPR-UHFFFAOYSA-N 1 0 370.497 4.456 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000765818062 1122136819 /nfs/dbraw/zinc/13/68/19/1122136819.db2.gz QQXYAZNQJZWVMW-LIRRHRJNSA-N 1 0 362.857 4.067 20 5 FIBDRO CC(=O)c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301542070 1122218240 /nfs/dbraw/zinc/21/82/40/1122218240.db2.gz NTIJRJMAFFYNPZ-DNVCBOLYSA-N 1 0 367.449 4.262 20 5 FIBDRO CSC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000153615533 1122244913 /nfs/dbraw/zinc/24/49/13/1122244913.db2.gz KPHBGZJGZWEPLO-PXAZEXFGSA-N 1 0 366.508 4.088 20 5 FIBDRO COc1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]2CCCO2)c1 ZINC000542702431 1122302685 /nfs/dbraw/zinc/30/26/85/1122302685.db2.gz WLROQECPARYDJY-NRFANRHFSA-N 1 0 370.449 4.093 20 5 FIBDRO CC[C@H](C)[N@@H+](Cc1ccccc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000917455592 1122320451 /nfs/dbraw/zinc/32/04/51/1122320451.db2.gz YTHHUFJUVPJRPQ-INIZCTEOSA-N 1 0 365.437 4.112 20 5 FIBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccs1 ZINC000497966351 1122486389 /nfs/dbraw/zinc/48/63/89/1122486389.db2.gz RTEQXJDODSDVBU-ZDUSSCGKSA-N 1 0 359.373 4.390 20 5 FIBDRO COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(OC)c1OC ZINC000194999329 1123067178 /nfs/dbraw/zinc/06/71/78/1123067178.db2.gz CWEBOIRKFSHJOS-UHFFFAOYSA-N 1 0 374.437 4.031 20 5 FIBDRO CCC1(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000556890761 1123176783 /nfs/dbraw/zinc/17/67/83/1123176783.db2.gz SANIZXNKYQCYFB-GOSISDBHSA-N 1 0 356.470 4.368 20 5 FIBDRO CC[NH+](CC)CCOc1ccc(CNc2cccc(F)c2[N+](=O)[O-])cc1 ZINC000919963916 1123290206 /nfs/dbraw/zinc/29/02/06/1123290206.db2.gz TXICQDIXTVOUEH-UHFFFAOYSA-N 1 0 361.417 4.067 20 5 FIBDRO COC1CC[NH+](C2(CNc3ccc(Cl)cc3[N+](=O)[O-])CCCC2)CC1 ZINC000609350726 1123672557 /nfs/dbraw/zinc/67/25/57/1123672557.db2.gz LHUBLQFIQWCRBC-UHFFFAOYSA-N 1 0 367.877 4.084 20 5 FIBDRO COc1ccc([N+](=O)[O-])c(NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000609495134 1123726188 /nfs/dbraw/zinc/72/61/88/1123726188.db2.gz ACSAIVVKBAAQDV-UHFFFAOYSA-N 1 0 355.438 4.201 20 5 FIBDRO Cc1ccnc(NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1[N+](=O)[O-] ZINC000609669651 1123789625 /nfs/dbraw/zinc/78/96/25/1123789625.db2.gz QKGLXJYYLPPNJN-INIZCTEOSA-N 1 0 354.454 4.285 20 5 FIBDRO C[C@H]([NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(C)(C)O ZINC000609707518 1123804801 /nfs/dbraw/zinc/80/48/01/1123804801.db2.gz YIYGLUOEHVNIDV-LBPRGKRZSA-N 1 0 364.829 4.290 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(Br)c1 ZINC000037668434 1123838135 /nfs/dbraw/zinc/83/81/35/1123838135.db2.gz MKVVCKFOIAMLMV-SNVBAGLBSA-N 1 0 353.191 4.347 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]CC3(O)CCCCCC3)o2)c([N+](=O)[O-])c1 ZINC000609804976 1123841306 /nfs/dbraw/zinc/84/13/06/1123841306.db2.gz GQXHTZHJDORRGG-UHFFFAOYSA-N 1 0 374.437 4.038 20 5 FIBDRO CC(=O)c1ccc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000064550899 1123842643 /nfs/dbraw/zinc/84/26/43/1123842643.db2.gz RZOWSJCCXVWXNM-OAHLLOKOSA-N 1 0 373.478 4.183 20 5 FIBDRO CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000609825918 1123850249 /nfs/dbraw/zinc/85/02/49/1123850249.db2.gz BKCPFUSLZFLYGX-LRDDRELGSA-N 1 0 372.412 4.127 20 5 FIBDRO Cc1cccc(OCC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000237770283 1124063399 /nfs/dbraw/zinc/06/33/99/1124063399.db2.gz XZWMVCKVZMLTAJ-UHFFFAOYSA-N 1 0 369.446 4.195 20 5 FIBDRO CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765849017 1124193479 /nfs/dbraw/zinc/19/34/79/1124193479.db2.gz NZBANMVCFLMJQW-IIBYNOLFSA-N 1 0 372.465 4.404 20 5 FIBDRO CC[C@H](C)Oc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000616483548 1124320641 /nfs/dbraw/zinc/32/06/41/1124320641.db2.gz HRBLHHLOWDSGOH-AWEZNQCLSA-N 1 0 358.438 4.379 20 5 FIBDRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000153708582 1124340571 /nfs/dbraw/zinc/34/05/71/1124340571.db2.gz YVXQRMAMBGUERJ-AWEZNQCLSA-N 1 0 368.412 4.387 20 5 FIBDRO C[C@@H]1CC[C@]2(CC[N@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000542853566 1124466846 /nfs/dbraw/zinc/46/68/46/1124466846.db2.gz GCMNJFTXCYWSCT-QRWLVFNGSA-N 1 0 354.454 4.007 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCCOCC3)o2)c(Cl)c1 ZINC000181028682 1124516297 /nfs/dbraw/zinc/51/62/97/1124516297.db2.gz KLRMSQJHDAEFSY-GFCCVEGCSA-N 1 0 350.802 4.167 20 5 FIBDRO CC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(Cl)c1 ZINC001168676906 1124758722 /nfs/dbraw/zinc/75/87/22/1124758722.db2.gz MDVOUPQSDMXJTL-ROUUACIJSA-N 1 0 373.840 4.094 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3ccccc3F)cs2)c1 ZINC000113313980 1125147928 /nfs/dbraw/zinc/14/79/28/1125147928.db2.gz GQESOVPCOCWLGD-UHFFFAOYSA-N 1 0 357.410 4.190 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC34CCOCC4)o2)c(Cl)c1 ZINC000618614639 1125222801 /nfs/dbraw/zinc/22/28/01/1125222801.db2.gz GVEIDKPOJXNJRN-UHFFFAOYSA-N 1 0 362.813 4.263 20 5 FIBDRO O=[N+]([O-])c1c(NC2CC[NH+](Cc3ccccc3)CC2)ccc2ncccc21 ZINC000312057391 1125263274 /nfs/dbraw/zinc/26/32/74/1125263274.db2.gz BHHMEIDFIXBBQN-UHFFFAOYSA-N 1 0 362.433 4.220 20 5 FIBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3CCC[N@H+](Cc4ccccc4)C3)ccc2c1 ZINC000312139476 1125273628 /nfs/dbraw/zinc/27/36/28/1125273628.db2.gz LMHDHINARCKCJV-SFHVURJKSA-N 1 0 362.433 4.220 20 5 FIBDRO CC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC001168700637 1125290569 /nfs/dbraw/zinc/29/05/69/1125290569.db2.gz OMHIPPBNZIPTLZ-INIZCTEOSA-N 1 0 366.364 4.316 20 5 FIBDRO CC1(C)C[C@H]([NH2+]C[C@H]2OCCc3ccccc32)c2cc([N+](=O)[O-])ccc21 ZINC000618987684 1125412213 /nfs/dbraw/zinc/41/22/13/1125412213.db2.gz ZVRMKCKEZQDPOG-VQTJNVASSA-N 1 0 352.434 4.221 20 5 FIBDRO COc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618987559 1125412306 /nfs/dbraw/zinc/41/23/06/1125412306.db2.gz GCBMWPAPFGSPBY-QZTJIDSGSA-N 1 0 368.433 4.439 20 5 FIBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000056325891 221080068 /nfs/dbraw/zinc/08/00/68/221080068.db2.gz BHUSCTVHUOXKJM-UHFFFAOYSA-N 1 0 373.840 4.139 20 5 FIBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 ZINC000072027258 221397370 /nfs/dbraw/zinc/39/73/70/221397370.db2.gz JKCPPIFXCXSSOD-INIZCTEOSA-N 1 0 353.344 4.328 20 5 FIBDRO C[NH+](C)CCCNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000098081493 222226232 /nfs/dbraw/zinc/22/62/32/222226232.db2.gz RTENKEPVGYEOBW-UHFFFAOYSA-N 1 0 363.845 4.082 20 5 FIBDRO CCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCCc2cccnc21 ZINC000481397123 567891007 /nfs/dbraw/zinc/89/10/07/567891007.db2.gz BDVMUHLGCIMJJL-QGZVFWFLSA-N 1 0 355.438 4.288 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000481539514 568043369 /nfs/dbraw/zinc/04/33/69/568043369.db2.gz YUBFPOPXPKCBNM-HZPDHXFCSA-N 1 0 357.429 4.219 20 5 FIBDRO COc1cccc(C2(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)CC2)c1 ZINC000568569117 568056476 /nfs/dbraw/zinc/05/64/76/568056476.db2.gz DEJMDEVGKIPIEO-FQEVSTJZSA-N 1 0 366.461 4.246 20 5 FIBDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)N2CCCC2)o1 ZINC000482014305 568230602 /nfs/dbraw/zinc/23/06/02/568230602.db2.gz JGNYYEVOFYWQKP-QFBILLFUSA-N 1 0 357.454 4.292 20 5 FIBDRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000482015573 568230695 /nfs/dbraw/zinc/23/06/95/568230695.db2.gz ZDUDICMFOURJDD-VQIMIIECSA-N 1 0 357.454 4.292 20 5 FIBDRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000482015569 568230704 /nfs/dbraw/zinc/23/07/04/568230704.db2.gz ZDUDICMFOURJDD-LPHOPBHVSA-N 1 0 357.454 4.292 20 5 FIBDRO CC[C@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000482046066 568238279 /nfs/dbraw/zinc/23/82/79/568238279.db2.gz SITSVONCVBMHCT-FQEVSTJZSA-N 1 0 350.422 4.064 20 5 FIBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1[C@H]1CCCO1 ZINC000568921618 568252499 /nfs/dbraw/zinc/25/24/99/568252499.db2.gz JMKOSSWRGHTSCU-MOPGFXCFSA-N 1 0 356.422 4.244 20 5 FIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000541951233 568270842 /nfs/dbraw/zinc/27/08/42/568270842.db2.gz CYQJEKXXKUQJLT-TYILLQQXSA-N 1 0 356.426 4.218 20 5 FIBDRO Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000390840092 568312020 /nfs/dbraw/zinc/31/20/20/568312020.db2.gz CPNORRYBYYMDFO-GOSISDBHSA-N 1 0 354.454 4.011 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCC3(CCCO3)CC2)cc(C(F)(F)F)c1 ZINC000569647917 568411332 /nfs/dbraw/zinc/41/13/32/568411332.db2.gz AWMHBTGSACTWBI-UHFFFAOYSA-N 1 0 358.360 4.195 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CCC2(COC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000569722662 568413959 /nfs/dbraw/zinc/41/39/59/568413959.db2.gz ACDIRXGJIMQPSC-IBGZPJMESA-N 1 0 358.438 4.246 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCC2(COC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000569722663 568414000 /nfs/dbraw/zinc/41/40/00/568414000.db2.gz ACDIRXGJIMQPSC-LJQANCHMSA-N 1 0 358.438 4.246 20 5 FIBDRO CC(C)(C)C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000570062364 568443101 /nfs/dbraw/zinc/44/31/01/568443101.db2.gz WVUWDOVGPIULCI-AZUAARDMSA-N 1 0 372.465 4.102 20 5 FIBDRO CC[NH+](CC)C1CCN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)CC1 ZINC001165053656 722003853 /nfs/dbraw/zinc/00/38/53/722003853.db2.gz REIOLZOSGFDGBV-UHFFFAOYSA-N 1 0 362.861 4.107 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c(Cl)c1 ZINC000182458563 1125505001 /nfs/dbraw/zinc/50/50/01/1125505001.db2.gz WTNUOZCYMAEMHS-LJQANCHMSA-N 1 0 374.824 4.260 20 5 FIBDRO CCN(CC)C(=O)CCC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000182551351 1125551233 /nfs/dbraw/zinc/55/12/33/1125551233.db2.gz STEYSHYJECBJJI-MRXNPFEDSA-N 1 0 361.486 4.016 20 5 FIBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000078571592 1125564723 /nfs/dbraw/zinc/56/47/23/1125564723.db2.gz UBQRHNQOGUXGCP-INIZCTEOSA-N 1 0 354.454 4.285 20 5 FIBDRO CCc1cnccc1[C@H](C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000543052464 1125566746 /nfs/dbraw/zinc/56/67/46/1125566746.db2.gz NXDRVXVZCFZYIS-AWEZNQCLSA-N 1 0 366.421 4.101 20 5 FIBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1C[C@H](c3ccc(Cl)cc3)C1)OCCO2 ZINC000619434454 1125594631 /nfs/dbraw/zinc/59/46/31/1125594631.db2.gz SZPPNGPXQRDFKI-SAZUREKKSA-N 1 0 374.824 4.055 20 5 FIBDRO C[NH+](C)C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000619799216 1125703306 /nfs/dbraw/zinc/70/33/06/1125703306.db2.gz VFKNYZWAMWRUGJ-KRWDZBQOSA-N 1 0 368.264 4.294 20 5 FIBDRO CCC[C@@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000558252905 1079675544 /nfs/dbraw/zinc/67/55/44/1079675544.db2.gz AUAWORGWLGDAOO-WOJBJXKFSA-N 1 0 359.445 4.468 20 5 FIBDRO CCC[C@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000558252900 1079675779 /nfs/dbraw/zinc/67/57/79/1079675779.db2.gz AUAWORGWLGDAOO-PMACEKPBSA-N 1 0 359.445 4.468 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CCCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000153945429 1079751785 /nfs/dbraw/zinc/75/17/85/1079751785.db2.gz JUSGUOAUPUKCTJ-MAUKXSAKSA-N 1 0 358.438 4.158 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC001167077126 1080052058 /nfs/dbraw/zinc/05/20/58/1080052058.db2.gz JQDNIRSRYLBLQO-IBGZPJMESA-N 1 0 359.470 4.277 20 5 FIBDRO COc1ccccc1OCCC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000609222951 1080311100 /nfs/dbraw/zinc/31/11/00/1080311100.db2.gz PQDYUXSPNRZEKO-UHFFFAOYSA-N 1 0 358.438 4.286 20 5 FIBDRO CC1CC[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])c(N)c3F)cc2)CC1 ZINC000471255591 1080593196 /nfs/dbraw/zinc/59/31/96/1080593196.db2.gz XMXZBFSSOSMPTB-UHFFFAOYSA-N 1 0 372.444 4.160 20 5 FIBDRO CC(=O)c1ccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000007980154 1080972678 /nfs/dbraw/zinc/97/26/78/1080972678.db2.gz OTMNEMSOLYCSOH-HXUWFJFHSA-N 1 0 353.422 4.046 20 5 FIBDRO CC(=O)c1ccc(N[C@H](C[NH+]2CCCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610279264 1081133493 /nfs/dbraw/zinc/13/34/93/1081133493.db2.gz NVQWFDANQKMPBB-HXUWFJFHSA-N 1 0 367.449 4.437 20 5 FIBDRO CCS[C@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000176982752 1081176581 /nfs/dbraw/zinc/17/65/81/1081176581.db2.gz JBZXNOATNYUABS-AEFFLSMTSA-N 1 0 374.510 4.149 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000177480062 1081223768 /nfs/dbraw/zinc/22/37/68/1081223768.db2.gz VPJUWYZUYGSWDW-KBMXLJTQSA-N 1 0 355.438 4.012 20 5 FIBDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000177553560 1081225040 /nfs/dbraw/zinc/22/50/40/1081225040.db2.gz WEYBDJZPNIWVDQ-KBXCAEBGSA-N 1 0 364.405 4.023 20 5 FIBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000177533143 1081226877 /nfs/dbraw/zinc/22/68/77/1081226877.db2.gz IBJIODAFLRSHSQ-KDOFPFPSSA-N 1 0 364.405 4.023 20 5 FIBDRO Cc1ccc([C@@H](C)C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000610009974 1081371120 /nfs/dbraw/zinc/37/11/20/1081371120.db2.gz MPAPYZGIYLDXGV-ZDUSSCGKSA-N 1 0 350.365 4.398 20 5 FIBDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000610004318 1081372189 /nfs/dbraw/zinc/37/21/89/1081372189.db2.gz WEDMIPIDHVPQEE-MRXNPFEDSA-N 1 0 370.449 4.380 20 5 FIBDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083199346 1081547448 /nfs/dbraw/zinc/54/74/48/1081547448.db2.gz JVORSEZERNLEFY-TZMCWYRMSA-N 1 0 355.369 4.253 20 5 FIBDRO CC[C@H](C)[C@@H](C)[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC001167356321 1081616629 /nfs/dbraw/zinc/61/66/29/1081616629.db2.gz MCIKWTDSHBZCIQ-NWDGAFQWSA-N 1 0 353.850 4.086 20 5 FIBDRO CCc1cnccc1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000572859026 1081745575 /nfs/dbraw/zinc/74/55/75/1081745575.db2.gz CCPVALVANWSXLW-NSHDSACASA-N 1 0 353.344 4.422 20 5 FIBDRO Cn1ncc2ccc(C[NH2+][C@@H]3CCCCc4ccc([N+](=O)[O-])cc43)cc21 ZINC000580300210 1081813865 /nfs/dbraw/zinc/81/38/65/1081813865.db2.gz ZKWFLEZVJWMXCI-LJQANCHMSA-N 1 0 350.422 4.039 20 5 FIBDRO COc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000118998100 1081850680 /nfs/dbraw/zinc/85/06/80/1081850680.db2.gz OJIGRUNMPQIQMM-LBPRGKRZSA-N 1 0 366.364 4.364 20 5 FIBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCC[N@H+](CC2CCC2)CC1 ZINC000580470148 1081960482 /nfs/dbraw/zinc/96/04/82/1081960482.db2.gz ZNLXQYJGXQGFBK-UHFFFAOYSA-N 1 0 373.500 4.336 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000050273679 1081986720 /nfs/dbraw/zinc/98/67/20/1081986720.db2.gz QYUMRCVUWOXKMD-IBGZPJMESA-N 1 0 373.840 4.236 20 5 FIBDRO C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000581142669 1082342042 /nfs/dbraw/zinc/34/20/42/1082342042.db2.gz PPIPJEGPZOHRRY-IIBYNOLFSA-N 1 0 365.477 4.397 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1[N+](=O)[O-] ZINC000177937972 1082351872 /nfs/dbraw/zinc/35/18/72/1082351872.db2.gz UEBCEEPWWVSXAQ-LHSJRXKWSA-N 1 0 368.433 4.476 20 5 FIBDRO C[C@@H](c1ccccc1)[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC001167453963 1082447659 /nfs/dbraw/zinc/44/76/59/1082447659.db2.gz PJLCGCBBOILQMS-HRAATJIYSA-N 1 0 354.450 4.492 20 5 FIBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000610505273 1082549857 /nfs/dbraw/zinc/54/98/57/1082549857.db2.gz DYXDLIMFCITRLT-IBGZPJMESA-N 1 0 353.422 4.007 20 5 FIBDRO O=C(CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccccc1Cl ZINC000135226533 1082580416 /nfs/dbraw/zinc/58/04/16/1082580416.db2.gz SPKZATWHSBKPOA-UHFFFAOYSA-N 1 0 373.840 4.241 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000178020525 1082589807 /nfs/dbraw/zinc/58/98/07/1082589807.db2.gz CHSUERDYNBHYNT-GJZGRUSLSA-N 1 0 356.422 4.476 20 5 FIBDRO C[NH+](C)Cc1ccnc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000157457828 1082846727 /nfs/dbraw/zinc/84/67/27/1082846727.db2.gz ONNDPCFFWXNZCT-UHFFFAOYSA-N 1 0 368.462 4.392 20 5 FIBDRO O=[N+]([O-])c1cc(F)ccc1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000247362161 1082869619 /nfs/dbraw/zinc/86/96/19/1082869619.db2.gz ZVKWGGHGYVMDBS-UHFFFAOYSA-N 1 0 363.820 4.464 20 5 FIBDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000055909424 1082927030 /nfs/dbraw/zinc/92/70/30/1082927030.db2.gz INZZQVWQBFEPHC-SFHVURJKSA-N 1 0 364.405 4.290 20 5 FIBDRO O=[N+]([O-])c1ccc([O-])cc1C[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000559149622 1082928071 /nfs/dbraw/zinc/92/80/71/1082928071.db2.gz LYLHWISZRKHEGQ-QGZVFWFLSA-N 1 0 354.431 4.436 20 5 FIBDRO COC1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000187438853 1082941287 /nfs/dbraw/zinc/94/12/87/1082941287.db2.gz HOBJOGBHFSDFQR-UHFFFAOYSA-N 1 0 361.467 4.157 20 5 FIBDRO CCC[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178367196 1083276555 /nfs/dbraw/zinc/27/65/55/1083276555.db2.gz XBGBESCZURNGFX-MRXNPFEDSA-N 1 0 359.392 4.052 20 5 FIBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000610741170 1083401286 /nfs/dbraw/zinc/40/12/86/1083401286.db2.gz SWPCKBMVUCZTTB-OLZOCXBDSA-N 1 0 364.829 4.413 20 5 FIBDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000610741161 1083402138 /nfs/dbraw/zinc/40/21/38/1083402138.db2.gz OXCOCBDYNKIBNN-HOCLYGCPSA-N 1 0 374.412 4.431 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC([C@H]3CCCO3)CC2)o1 ZINC000188262574 1083412500 /nfs/dbraw/zinc/41/25/00/1083412500.db2.gz PCUBMQVWEJKWDF-LJQANCHMSA-N 1 0 356.422 4.246 20 5 FIBDRO CCOc1ccccc1[C@H](CC)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179751567 1083615659 /nfs/dbraw/zinc/61/56/59/1083615659.db2.gz QQPBRAIHLNDBCF-HOCLYGCPSA-N 1 0 371.437 4.061 20 5 FIBDRO CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000167145012 1083630731 /nfs/dbraw/zinc/63/07/31/1083630731.db2.gz SFLQLDKONYUVJA-KRWDZBQOSA-N 1 0 372.465 4.478 20 5 FIBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000535812809 1083684391 /nfs/dbraw/zinc/68/43/91/1083684391.db2.gz PFZUJXOZZRHQSO-UHFFFAOYSA-N 1 0 373.840 4.139 20 5 FIBDRO COCCCOc1cc(C)ccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000167240852 1083684828 /nfs/dbraw/zinc/68/48/28/1083684828.db2.gz MKUKQTABAKXKSL-QGZVFWFLSA-N 1 0 372.465 4.478 20 5 FIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1cccc([N+](=O)[O-])c1 ZINC000610799735 1083705342 /nfs/dbraw/zinc/70/53/42/1083705342.db2.gz LJVFTUYUSDQQIF-UGSOOPFHSA-N 1 0 353.422 4.281 20 5 FIBDRO Cc1noc(C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c2ccccc2)n1 ZINC000277000614 1083705796 /nfs/dbraw/zinc/70/57/96/1083705796.db2.gz AGXOWVNYRJBGIC-KDOFPFPSSA-N 1 0 366.421 4.229 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000610808012 1083717706 /nfs/dbraw/zinc/71/77/06/1083717706.db2.gz PRJKUWMPGDURGZ-DLBZAZTESA-N 1 0 357.479 4.147 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000610808017 1083718367 /nfs/dbraw/zinc/71/83/67/1083718367.db2.gz PRJKUWMPGDURGZ-IRXDYDNUSA-N 1 0 357.479 4.147 20 5 FIBDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000610811084 1083723966 /nfs/dbraw/zinc/72/39/66/1083723966.db2.gz MPPDWNIDLYKKOO-ZDUSSCGKSA-N 1 0 363.255 4.121 20 5 FIBDRO Cc1cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)ccc1C[NH+](C)C ZINC000458262702 1083765775 /nfs/dbraw/zinc/76/57/75/1083765775.db2.gz KSPBUWXEKGWIDX-UHFFFAOYSA-N 1 0 355.438 4.142 20 5 FIBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000588982847 1083765975 /nfs/dbraw/zinc/76/59/75/1083765975.db2.gz BEKKEHHJTPETHQ-OKILXGFUSA-N 1 0 360.376 4.417 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CC2(CCOC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612414677 1083782421 /nfs/dbraw/zinc/78/24/21/1083782421.db2.gz WLENLBJPPBWNBA-IBGZPJMESA-N 1 0 358.438 4.246 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2cccc(F)c2)c2ccccn2)cc1 ZINC000612409568 1083784216 /nfs/dbraw/zinc/78/42/16/1083784216.db2.gz BCLHSPLKCYKMMC-FQEVSTJZSA-N 1 0 351.381 4.051 20 5 FIBDRO COc1ccc2c(c1)CC[C@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC000612419905 1083786290 /nfs/dbraw/zinc/78/62/90/1083786290.db2.gz ZSJWCIMDUBQVMW-PZJWPPBQSA-N 1 0 366.461 4.072 20 5 FIBDRO Cc1ccc(C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1 ZINC000612432403 1083791206 /nfs/dbraw/zinc/79/12/06/1083791206.db2.gz QBBSPNFDMIMUBD-JOCHJYFZSA-N 1 0 361.445 4.414 20 5 FIBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000615834548 1083886425 /nfs/dbraw/zinc/88/64/25/1083886425.db2.gz ODFUOJQMOZWTMX-MOKGIYGOSA-N 1 0 360.454 4.053 20 5 FIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000548937209 1083892288 /nfs/dbraw/zinc/89/22/88/1083892288.db2.gz WZEWMZSFCXJLMM-UHFFFAOYSA-N 1 0 362.433 4.218 20 5 FIBDRO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000612540004 1083901753 /nfs/dbraw/zinc/90/17/53/1083901753.db2.gz QGBCHCRTJYXEBB-DNVCBOLYSA-N 1 0 362.376 4.225 20 5 FIBDRO COCCOc1cc(C)ccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000167638820 1083930728 /nfs/dbraw/zinc/93/07/28/1083930728.db2.gz LTAOCQVYEZIIDX-MRXNPFEDSA-N 1 0 358.438 4.088 20 5 FIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000177451385 1083970820 /nfs/dbraw/zinc/97/08/20/1083970820.db2.gz PDBHFLMGZDKSQM-AEFFLSMTSA-N 1 0 362.401 4.195 20 5 FIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000178479117 1083983942 /nfs/dbraw/zinc/98/39/42/1083983942.db2.gz XPYFUGBUJVFSKJ-RHSMWYFYSA-N 1 0 356.422 4.476 20 5 FIBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180004034 1083989489 /nfs/dbraw/zinc/98/94/89/1083989489.db2.gz DDMSTIAELJUUQV-MRXNPFEDSA-N 1 0 357.454 4.019 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178504295 1084262160 /nfs/dbraw/zinc/26/21/60/1084262160.db2.gz YHGSBGCIUGBMOO-FQEVSTJZSA-N 1 0 350.422 4.081 20 5 FIBDRO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)n1 ZINC000539051191 1084290530 /nfs/dbraw/zinc/29/05/30/1084290530.db2.gz ZNBBFTKXXPEWIO-DOTOQJQBSA-N 1 0 364.449 4.371 20 5 FIBDRO CC[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000539079524 1084310654 /nfs/dbraw/zinc/31/06/54/1084310654.db2.gz HXJNNBIKUGMHSZ-IRXDYDNUSA-N 1 0 373.840 4.094 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000188619927 1084311092 /nfs/dbraw/zinc/31/10/92/1084311092.db2.gz VQPVDGMWEMOKNW-NOLJZWGESA-N 1 0 360.376 4.037 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177846585 1084374670 /nfs/dbraw/zinc/37/46/70/1084374670.db2.gz CKIMNRQTZYHVTK-FQEVSTJZSA-N 1 0 367.449 4.072 20 5 FIBDRO COc1ccc(C[NH2+]C(C)(C)CF)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000472154525 1084574713 /nfs/dbraw/zinc/57/47/13/1084574713.db2.gz JFDHDXIDGYUJEB-UHFFFAOYSA-N 1 0 362.401 4.020 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)n1 ZINC000581744094 1084577648 /nfs/dbraw/zinc/57/76/48/1084577648.db2.gz DJYDZVRDGDCQSS-KBUPBQIOSA-N 1 0 374.407 4.233 20 5 FIBDRO CC(F)(F)c1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000551239698 1084580018 /nfs/dbraw/zinc/58/00/18/1084580018.db2.gz ZTNQNCMXMNGBFP-JKSUJKDBSA-N 1 0 364.396 4.177 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000581677006 1084582833 /nfs/dbraw/zinc/58/28/33/1084582833.db2.gz NLFXMWZHGWTHQZ-CXAGYDPISA-N 1 0 356.422 4.340 20 5 FIBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)c1 ZINC000581975686 1084648013 /nfs/dbraw/zinc/64/80/13/1084648013.db2.gz QSORBLDVZMWORS-QGZVFWFLSA-N 1 0 368.462 4.275 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCCc4sccc43)CC2)cc1 ZINC000134967939 1084658815 /nfs/dbraw/zinc/65/88/15/1084658815.db2.gz NKUFROUPYDLRON-GOSISDBHSA-N 1 0 357.479 4.292 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCCc4sccc43)CC2)cc1 ZINC000134967960 1084659337 /nfs/dbraw/zinc/65/93/37/1084659337.db2.gz NKUFROUPYDLRON-SFHVURJKSA-N 1 0 357.479 4.292 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H]([C@H]4CCOC4)C3)s2)cc1 ZINC000539849989 1084682725 /nfs/dbraw/zinc/68/27/25/1084682725.db2.gz AWDIYZBPQKVYGP-HOTGVXAUSA-N 1 0 358.463 4.182 20 5 FIBDRO CC[NH+](CC)CC(=O)Nc1cccc(N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000582319300 1084684375 /nfs/dbraw/zinc/68/43/75/1084684375.db2.gz PKKVQTASGGLCMR-OAHLLOKOSA-N 1 0 370.453 4.048 20 5 FIBDRO CCc1ccc([C@H]([NH2+]C2CCC(OC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414186647 1084770571 /nfs/dbraw/zinc/77/05/71/1084770571.db2.gz PZKXHTZLGUDRDS-PKUWUEBNSA-N 1 0 358.438 4.387 20 5 FIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000540375025 1084786251 /nfs/dbraw/zinc/78/62/51/1084786251.db2.gz AUJONOUZMRVBCC-SNVBAGLBSA-N 1 0 368.220 4.191 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3CC3)o2)c(Br)c1 ZINC000236567992 1084917375 /nfs/dbraw/zinc/91/73/75/1084917375.db2.gz FWBLHGATNQEOPE-UHFFFAOYSA-N 1 0 351.200 4.117 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c(F)c1 ZINC000478229203 1084922129 /nfs/dbraw/zinc/92/21/29/1084922129.db2.gz LXXWZQINDYQFEF-UHFFFAOYSA-N 1 0 364.804 4.183 20 5 FIBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000178564369 1084936048 /nfs/dbraw/zinc/93/60/48/1084936048.db2.gz HXMZAGPUIWJCNL-HWPZZCPQSA-N 1 0 355.221 4.286 20 5 FIBDRO CC1(C)C[C@H]([NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000582390260 1084945703 /nfs/dbraw/zinc/94/57/03/1084945703.db2.gz ZMKYBCBOMWJHDO-URVUXULASA-N 1 0 366.461 4.073 20 5 FIBDRO C[C@H](c1ccc2ccccc2c1)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000478432589 1084950640 /nfs/dbraw/zinc/95/06/40/1084950640.db2.gz UVDDHSGUGDMSLU-OAHLLOKOSA-N 1 0 350.422 4.170 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000158348744 1085042918 /nfs/dbraw/zinc/04/29/18/1085042918.db2.gz HFMDROUCZOPVJH-UHFFFAOYSA-N 1 0 353.422 4.127 20 5 FIBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000180314267 1085045644 /nfs/dbraw/zinc/04/56/44/1085045644.db2.gz FJYZVNBPYMQXEL-UHFFFAOYSA-N 1 0 373.840 4.139 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(NC(=O)NC(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000128052829 1085348156 /nfs/dbraw/zinc/34/81/56/1085348156.db2.gz JUTCSBGFBBRIDJ-IBGZPJMESA-N 1 0 370.453 4.366 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC001167598740 1085378382 /nfs/dbraw/zinc/37/83/82/1085378382.db2.gz JSZYHRDYEBDEEZ-OAQYLSRUSA-N 1 0 354.450 4.448 20 5 FIBDRO COc1cccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 ZINC000549535316 1085438805 /nfs/dbraw/zinc/43/88/05/1085438805.db2.gz BBSFRFVJINTFSD-LLVKDONJSA-N 1 0 354.328 4.473 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)ccc1[N+](=O)[O-] ZINC000611516561 1085459095 /nfs/dbraw/zinc/45/90/95/1085459095.db2.gz KCSVNUOBWFJTOX-HNNXBMFYSA-N 1 0 367.405 4.124 20 5 FIBDRO C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178643153 1085547855 /nfs/dbraw/zinc/54/78/55/1085547855.db2.gz PVRNSIQUPJPHPC-AWEZNQCLSA-N 1 0 353.422 4.184 20 5 FIBDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178649306 1085567026 /nfs/dbraw/zinc/56/70/26/1085567026.db2.gz QMXOQLCRJUFQEI-HNNXBMFYSA-N 1 0 358.413 4.133 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000109103024 1085588792 /nfs/dbraw/zinc/58/87/92/1085588792.db2.gz CIUNZNFBJFCQCF-UHFFFAOYSA-N 1 0 371.412 4.036 20 5 FIBDRO CCC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000181787096 1085602022 /nfs/dbraw/zinc/60/20/22/1085602022.db2.gz UXUCLRXTPYUWFJ-KRWDZBQOSA-N 1 0 371.437 4.063 20 5 FIBDRO CCOC(=O)CCC1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000611929715 1085689251 /nfs/dbraw/zinc/68/92/51/1085689251.db2.gz GTMJILSTSYYPLW-UHFFFAOYSA-N 1 0 371.437 4.011 20 5 FIBDRO CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178681489 1085779612 /nfs/dbraw/zinc/77/96/12/1085779612.db2.gz VAJZWUHIPNHUJN-KGLIPLIRSA-N 1 0 373.478 4.303 20 5 FIBDRO CSc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178686590 1085812663 /nfs/dbraw/zinc/81/26/63/1085812663.db2.gz BJBVDLIRJZPNQO-ZIAGYGMSSA-N 1 0 373.478 4.303 20 5 FIBDRO Cc1cc(N2C(C)(C)CC([NH3+])CC2(C)C)c([N+](=O)[O-])cc1Br ZINC001167626744 1085820057 /nfs/dbraw/zinc/82/00/57/1085820057.db2.gz SIFOXHUKXLGGBB-UHFFFAOYSA-N 1 0 370.291 4.150 20 5 FIBDRO CC[C@H]1c2ccsc2CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052070227 1086082804 /nfs/dbraw/zinc/08/28/04/1086082804.db2.gz UVHBFLKQSHTOFV-HNNXBMFYSA-N 1 0 370.434 4.216 20 5 FIBDRO CCC(CC)C(=O)N1CCC([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000166070498 1086594494 /nfs/dbraw/zinc/59/44/94/1086594494.db2.gz VDQZVHSUCNPTSF-LJQANCHMSA-N 1 0 361.486 4.063 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432341338 1086633488 /nfs/dbraw/zinc/63/34/88/1086633488.db2.gz WIFNPWBIYZNRAY-DLBZAZTESA-N 1 0 368.481 4.234 20 5 FIBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000432357397 1086656076 /nfs/dbraw/zinc/65/60/76/1086656076.db2.gz LTJRDXPEWFEYNU-MEDUHNTESA-N 1 0 350.802 4.023 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000585765563 1086692720 /nfs/dbraw/zinc/69/27/20/1086692720.db2.gz RNNWBZBGSAJIKR-VQIMIIECSA-N 1 0 364.449 4.015 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCc2ccc3c[nH]nc3c2)c2ccccc2)c1 ZINC000585765432 1086692821 /nfs/dbraw/zinc/69/28/21/1086692821.db2.gz DYVVDWXSXBXGRX-JOCHJYFZSA-N 1 0 372.428 4.393 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000585765593 1086692874 /nfs/dbraw/zinc/69/28/74/1086692874.db2.gz YABLKJRBYTVFDY-MRXNPFEDSA-N 1 0 370.478 4.174 20 5 FIBDRO C[C@@H](c1ccccc1)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000583591222 1086832240 /nfs/dbraw/zinc/83/22/40/1086832240.db2.gz GEYKZVGEYWDPAW-HNNXBMFYSA-N 1 0 367.449 4.200 20 5 FIBDRO COc1ccc([C@@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c(C)c1OC ZINC000583715889 1086931271 /nfs/dbraw/zinc/93/12/71/1086931271.db2.gz CNKLVJNWCQBVFC-SOIVGHGOSA-N 1 0 356.422 4.284 20 5 FIBDRO CC[C@@H](OC(=O)c1ccc(C[NH+](CC)CC)o1)c1cccc([N+](=O)[O-])c1 ZINC001267373923 1087425233 /nfs/dbraw/zinc/42/52/33/1087425233.db2.gz BYOQOZHGNLWYHX-QGZVFWFLSA-N 1 0 360.410 4.338 20 5 FIBDRO O=[N+]([O-])c1cccc(F)c1CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000611935444 1087593097 /nfs/dbraw/zinc/59/30/97/1087593097.db2.gz XRNSAWCNFBCYBM-IBGZPJMESA-N 1 0 357.429 4.051 20 5 FIBDRO CCOc1ccc([C@H](C)N[C@H]2CCOc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000188050447 1087693216 /nfs/dbraw/zinc/69/32/16/1087693216.db2.gz VTIKELMSDGVWLZ-LRDDRELGSA-N 1 0 360.385 4.307 20 5 FIBDRO COc1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000102420902 1087697699 /nfs/dbraw/zinc/69/76/99/1087697699.db2.gz GSXVAZROFFZMQJ-UHFFFAOYSA-N 1 0 355.419 4.017 20 5 FIBDRO O=[N+]([O-])c1ccc(CN[C@H]2CCc3c2c(Br)ccc3F)cc1 ZINC000180417520 1087898487 /nfs/dbraw/zinc/89/84/87/1087898487.db2.gz POJNVXDLCVXBHS-HNNXBMFYSA-N 1 0 365.202 4.274 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)Oc2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000504900558 1087956030 /nfs/dbraw/zinc/95/60/30/1087956030.db2.gz ZNLHNUQZCDRUIU-HUUCEWRRSA-N 1 0 374.437 4.120 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)Oc2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000504900255 1087956391 /nfs/dbraw/zinc/95/63/91/1087956391.db2.gz URUDABLYJBQIQL-GJZGRUSLSA-N 1 0 374.437 4.120 20 5 FIBDRO CCc1nc(CC[NH2+][C@H](CC)CSc2ccccc2[N+](=O)[O-])cs1 ZINC000504894212 1087967393 /nfs/dbraw/zinc/96/73/93/1087967393.db2.gz KIJGYWROZWSQAS-CYBMUJFWSA-N 1 0 365.524 4.317 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CC)C1CCOCC1 ZINC000504919605 1087971837 /nfs/dbraw/zinc/97/18/37/1087971837.db2.gz LRVBNDNVPXTPFE-HZPDHXFCSA-N 1 0 352.500 4.260 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1c(C)noc1C ZINC000504920392 1087972837 /nfs/dbraw/zinc/97/28/37/1087972837.db2.gz OKYAFOWBYDGIDP-WFASDCNBSA-N 1 0 363.483 4.291 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000180626982 1087992529 /nfs/dbraw/zinc/99/25/29/1087992529.db2.gz GBSREOZWCCWOHK-HNNXBMFYSA-N 1 0 362.813 4.260 20 5 FIBDRO CCOc1ccc2c(c1)[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)CCO2 ZINC000181281834 1088293332 /nfs/dbraw/zinc/29/33/32/1088293332.db2.gz IKNVHNYLXIEAMZ-KRWDZBQOSA-N 1 0 362.813 4.260 20 5 FIBDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000513821124 1088418232 /nfs/dbraw/zinc/41/82/32/1088418232.db2.gz CHRKIHIFXUAZCU-YTQUADARSA-N 1 0 370.497 4.397 20 5 FIBDRO CCOC1CC(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000189264762 1088460190 /nfs/dbraw/zinc/46/01/90/1088460190.db2.gz RLIOTBJCSOCHIR-LFNLJPBCSA-N 1 0 354.450 4.479 20 5 FIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]C[C@H](C)O)cc2[N+](=O)[O-])c1 ZINC000236740997 1089192687 /nfs/dbraw/zinc/19/26/87/1089192687.db2.gz NVMVNGDDFBBCCG-HNNXBMFYSA-N 1 0 358.438 4.289 20 5 FIBDRO CCn1nccc1C1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000435034261 1089230708 /nfs/dbraw/zinc/23/07/08/1089230708.db2.gz COUGYOILGVITPL-UHFFFAOYSA-N 1 0 356.470 4.314 20 5 FIBDRO CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C1(C)C ZINC001167958324 1089399392 /nfs/dbraw/zinc/39/93/92/1089399392.db2.gz HCOOGEMNSXWMDO-MSOLQXFVSA-N 1 0 350.459 4.019 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c(Cl)c1 ZINC000425367217 1089599575 /nfs/dbraw/zinc/59/95/75/1089599575.db2.gz BQEARCRHZCHXGF-QGZVFWFLSA-N 1 0 350.846 4.029 20 5 FIBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H](C)Cc1ccc(OC)cc1 ZINC000517528998 1089741515 /nfs/dbraw/zinc/74/15/15/1089741515.db2.gz FFYUVMCCUCRWIN-OAHLLOKOSA-N 1 0 358.438 4.065 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103231884 1090071483 /nfs/dbraw/zinc/07/14/83/1090071483.db2.gz OPOGNJJRLMGHTD-QGZVFWFLSA-N 1 0 374.485 4.023 20 5 FIBDRO CC(C)[C@H](O)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236818023 1090189958 /nfs/dbraw/zinc/18/99/58/1090189958.db2.gz ZPRMQESPSFBCDJ-MRXNPFEDSA-N 1 0 364.829 4.147 20 5 FIBDRO CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000120255853 1090461508 /nfs/dbraw/zinc/46/15/08/1090461508.db2.gz XFEWAPIFVYARQA-GJZGRUSLSA-N 1 0 371.437 4.060 20 5 FIBDRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000120256024 1090461807 /nfs/dbraw/zinc/46/18/07/1090461807.db2.gz XFEWAPIFVYARQA-HUUCEWRRSA-N 1 0 371.437 4.060 20 5 FIBDRO CCC[C@@H]([NH2+][C@@H](CCO)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120270731 1090677348 /nfs/dbraw/zinc/67/73/48/1090677348.db2.gz VQYMNWFRXPQDOV-UXHICEINSA-N 1 0 358.438 4.158 20 5 FIBDRO C[C@@H]([NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccc(NC(N)=O)cc1 ZINC000417302704 1090791602 /nfs/dbraw/zinc/79/16/02/1090791602.db2.gz CTCUSBFANJFCRH-BFUOFWGJSA-N 1 0 368.437 4.204 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](CCCO)c1ccccc1)CCCC2 ZINC000417316563 1090797691 /nfs/dbraw/zinc/79/76/91/1090797691.db2.gz UKXPTRKXMUCDEE-NHCUHLMSSA-N 1 0 354.450 4.466 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cnn(-c3ccccc3)c1)CCCC2 ZINC000417308933 1090802038 /nfs/dbraw/zinc/80/20/38/1090802038.db2.gz FXZXHWXRFNDBRV-OAQYLSRUSA-N 1 0 362.433 4.338 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cccn3)cc1)CCCC2 ZINC000417309931 1090803582 /nfs/dbraw/zinc/80/35/82/1090803582.db2.gz GNANYCGOSVYYDK-OAQYLSRUSA-N 1 0 362.433 4.338 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@@H](c3cccnc3)C1)CCCC2 ZINC000417327687 1090818664 /nfs/dbraw/zinc/81/86/64/1090818664.db2.gz FDCOELUIVRPXAC-DUXKGJEZSA-N 1 0 367.449 4.267 20 5 FIBDRO O=C(Nc1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1)C1CCC1 ZINC000566475639 1090864044 /nfs/dbraw/zinc/86/40/44/1090864044.db2.gz NYLYGXKTLBZDFT-LJQANCHMSA-N 1 0 365.433 4.111 20 5 FIBDRO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000893329492 1091021540 /nfs/dbraw/zinc/02/15/40/1091021540.db2.gz RLSKRGRHVQFUJR-UHFFFAOYSA-N 1 0 363.439 4.293 20 5 FIBDRO CN(CCCc1cc(-c2ccccc2)no1)Cc1csc([N+](=O)[O-])c1 ZINC000110297914 1091030137 /nfs/dbraw/zinc/03/01/37/1091030137.db2.gz PFOIKEMNLJPOFX-UHFFFAOYSA-N 1 0 357.435 4.376 20 5 FIBDRO CC[C@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000105503889 1091031308 /nfs/dbraw/zinc/03/13/08/1091031308.db2.gz HYANGQPHWHKSCN-LBPRGKRZSA-N 1 0 370.272 4.363 20 5 FIBDRO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000500124998 1091050765 /nfs/dbraw/zinc/05/07/65/1091050765.db2.gz PDGXOHPSFSCAEV-MRXNPFEDSA-N 1 0 355.438 4.233 20 5 FIBDRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500130061 1091055921 /nfs/dbraw/zinc/05/59/21/1091055921.db2.gz CMLYENKFXLYARU-KUHUBIRLSA-N 1 0 371.412 4.146 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000162637477 1091179587 /nfs/dbraw/zinc/17/95/87/1091179587.db2.gz VCOOOVAZAOMWNH-HNNXBMFYSA-N 1 0 355.438 4.470 20 5 FIBDRO Cn1cccc1[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549507578 1091502392 /nfs/dbraw/zinc/50/23/92/1091502392.db2.gz JUIHHGNTFMCEMG-MRXNPFEDSA-N 1 0 353.344 4.289 20 5 FIBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccsc1 ZINC000511682265 1091522489 /nfs/dbraw/zinc/52/24/89/1091522489.db2.gz OLGXPAVXVKEHRF-AWEZNQCLSA-N 1 0 359.373 4.390 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000500510350 1092165717 /nfs/dbraw/zinc/16/57/17/1092165717.db2.gz ZUAPPEOVXJHUOD-ZZXKWVIFSA-N 1 0 353.397 4.451 20 5 FIBDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000520959607 1092374117 /nfs/dbraw/zinc/37/41/17/1092374117.db2.gz WCKFBSSQHOLPIE-UHFFFAOYSA-N 1 0 364.449 4.236 20 5 FIBDRO Cc1ccc(SCC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000520949031 1092375390 /nfs/dbraw/zinc/37/53/90/1092375390.db2.gz PWBWHKXLHBMBHU-UHFFFAOYSA-N 1 0 368.405 4.387 20 5 FIBDRO CC[NH+](CC)[C@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC001126533917 1092500771 /nfs/dbraw/zinc/50/07/71/1092500771.db2.gz XSNKMITTWODIEX-UZLBHIALSA-N 1 0 369.465 4.164 20 5 FIBDRO CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccccc1 ZINC000521380055 1092668845 /nfs/dbraw/zinc/66/88/45/1092668845.db2.gz ILANRISIPJKOMU-VQIMIIECSA-N 1 0 369.465 4.090 20 5 FIBDRO CC(C)[N@H+](CCc1nccs1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000121037369 1092709690 /nfs/dbraw/zinc/70/96/90/1092709690.db2.gz GTBADDWFESQKMK-UHFFFAOYSA-N 1 0 372.450 4.159 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)o2)cc1 ZINC000572807655 1092907673 /nfs/dbraw/zinc/90/76/73/1092907673.db2.gz CIOACHDBUFQVCA-PMACEKPBSA-N 1 0 368.433 4.388 20 5 FIBDRO CCOc1ccc2c(c1)[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])CCO2 ZINC000614101451 1092936452 /nfs/dbraw/zinc/93/64/52/1092936452.db2.gz ONAULCLFRXHHIW-YEODSOHDSA-N 1 0 354.406 4.120 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]CCCc3nccs3)o2)c([N+](=O)[O-])c1 ZINC000573710318 1092961015 /nfs/dbraw/zinc/96/10/15/1092961015.db2.gz HLIPAPHEEQUEPG-UHFFFAOYSA-N 1 0 373.434 4.042 20 5 FIBDRO CCn1nccc1C1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000432927668 1092961750 /nfs/dbraw/zinc/96/17/50/1092961750.db2.gz IPDXURIBEPBTSW-UHFFFAOYSA-N 1 0 365.437 4.052 20 5 FIBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC(F)(F)[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000522044760 1093053364 /nfs/dbraw/zinc/05/33/64/1093053364.db2.gz KUXFXTZKNJGGIY-GFCCVEGCSA-N 1 0 366.364 4.341 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4ccccc4)C3)o2)cc1 ZINC000433049559 1093159702 /nfs/dbraw/zinc/15/97/02/1093159702.db2.gz VUTUMCFQSKEUOC-QGZVFWFLSA-N 1 0 364.405 4.024 20 5 FIBDRO COc1cc(C[NH2+]CC(C)(C)C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509616648 1093206292 /nfs/dbraw/zinc/20/62/92/1093206292.db2.gz HOWGGHHWTDNDAI-UHFFFAOYSA-N 1 0 358.438 4.318 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000433096366 1093235209 /nfs/dbraw/zinc/23/52/09/1093235209.db2.gz DNEMZQQTGFWCGP-ROUUACIJSA-N 1 0 353.466 4.470 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCc2ccc(F)cc2Cl)c1 ZINC000500892791 1093363878 /nfs/dbraw/zinc/36/38/78/1093363878.db2.gz RWVONJJQNFXNBS-UHFFFAOYSA-N 1 0 374.746 4.321 20 5 FIBDRO C[NH+](C)[C@H]1CCOc2c(NC/C=C\c3ccccc3[N+](=O)[O-])cccc21 ZINC000433190423 1093392354 /nfs/dbraw/zinc/39/23/54/1093392354.db2.gz PXDNLKUNAZYGPZ-QJSCKGPTSA-N 1 0 353.422 4.105 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3(C(F)(F)F)CC3)cs2)c1 ZINC000512869515 1093474824 /nfs/dbraw/zinc/47/48/24/1093474824.db2.gz UDWCXUIPYZBDRS-UHFFFAOYSA-N 1 0 357.357 4.150 20 5 FIBDRO C[C@H](O)C[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000433280884 1093524359 /nfs/dbraw/zinc/52/43/59/1093524359.db2.gz GFFMZRAGYRLALB-XPIZARPCSA-N 1 0 368.477 4.462 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000474439430 1093785756 /nfs/dbraw/zinc/78/57/56/1093785756.db2.gz NBKUZDOSYPPKOJ-HNAYVOBHSA-N 1 0 370.453 4.025 20 5 FIBDRO CC(C)(C)[N@H+](Cc1ccc(F)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000513101608 1093847707 /nfs/dbraw/zinc/84/77/07/1093847707.db2.gz SNGXDGXBCMMDGR-UHFFFAOYSA-N 1 0 374.412 4.401 20 5 FIBDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000513242608 1094033494 /nfs/dbraw/zinc/03/34/94/1094033494.db2.gz VBFNSVOJMDSKPQ-KSSFIOAISA-N 1 0 364.405 4.228 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513246816 1094034094 /nfs/dbraw/zinc/03/40/94/1094034094.db2.gz DDEDYOHJOWZZQY-MGPUTAFESA-N 1 0 367.449 4.315 20 5 FIBDRO COc1ccccc1O[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000513406683 1094105448 /nfs/dbraw/zinc/10/54/48/1094105448.db2.gz WERYKRTZLKSINB-CVEARBPZSA-N 1 0 356.422 4.208 20 5 FIBDRO COc1ccccc1O[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000513406686 1094105627 /nfs/dbraw/zinc/10/56/27/1094105627.db2.gz WERYKRTZLKSINB-JKSUJKDBSA-N 1 0 356.422 4.208 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000513440871 1094127609 /nfs/dbraw/zinc/12/76/09/1094127609.db2.gz YLELTWYYFXKICZ-ZNNBYXKUSA-N 1 0 352.390 4.174 20 5 FIBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1OC ZINC000513654372 1094255186 /nfs/dbraw/zinc/25/51/86/1094255186.db2.gz IDUWSIMZMDXWIO-ZFWWWQNUSA-N 1 0 358.438 4.202 20 5 FIBDRO CC[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513701991 1094386579 /nfs/dbraw/zinc/38/65/79/1094386579.db2.gz CGPDUCPESPWDPF-OXJNMPFZSA-N 1 0 364.449 4.201 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+][C@@H]2C=C[C@H](CO)C2)cc1 ZINC000129687442 1094507167 /nfs/dbraw/zinc/50/71/67/1094507167.db2.gz FVTZNXMBXUQVIU-GOEBONIOSA-N 1 0 374.824 4.067 20 5 FIBDRO C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000501122638 1094518736 /nfs/dbraw/zinc/51/87/36/1094518736.db2.gz RWUIPGYWXPYEGR-HNNXBMFYSA-N 1 0 354.454 4.007 20 5 FIBDRO CCOC(=O)C1(C)CCC([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000474800560 1094636684 /nfs/dbraw/zinc/63/66/84/1094636684.db2.gz UDXFAKZSXRXRMF-UHFFFAOYSA-N 1 0 362.470 4.019 20 5 FIBDRO C[C@H](Nc1nccc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000413252034 1094801727 /nfs/dbraw/zinc/80/17/27/1094801727.db2.gz YLGPJRSFTJMAFD-GOEBONIOSA-N 1 0 354.454 4.208 20 5 FIBDRO C[C@@H]([NH2+]CCSCCCO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151177863 1094872024 /nfs/dbraw/zinc/87/20/24/1094872024.db2.gz YBAKWYHATAHGKT-CYBMUJFWSA-N 1 0 366.508 4.090 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000522551733 1095138004 /nfs/dbraw/zinc/13/80/04/1095138004.db2.gz YHZTZADAMSXIMT-INIZCTEOSA-N 1 0 365.905 4.336 20 5 FIBDRO CCOc1cc(C[NH2+][C@H](CC(F)F)c2ccccc2)ccc1[N+](=O)[O-] ZINC000420994165 1095231294 /nfs/dbraw/zinc/23/12/94/1095231294.db2.gz MVMHTKWVYYDBPI-OAHLLOKOSA-N 1 0 350.365 4.480 20 5 FIBDRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000237176756 1095423357 /nfs/dbraw/zinc/42/33/57/1095423357.db2.gz FILPAAIVHRAQKN-AWEZNQCLSA-N 1 0 360.479 4.430 20 5 FIBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502890694 1095924862 /nfs/dbraw/zinc/92/48/62/1095924862.db2.gz CIXVOEUBPPYCIA-INIZCTEOSA-N 1 0 355.438 4.224 20 5 FIBDRO COc1ccc([C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C(C)C)c(F)c1 ZINC000421826625 1095939996 /nfs/dbraw/zinc/93/99/96/1095939996.db2.gz UBJCVICGFZJYPA-IBGZPJMESA-N 1 0 362.401 4.238 20 5 FIBDRO COc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC2CC2)c(OC)c1 ZINC000503246042 1096325871 /nfs/dbraw/zinc/32/58/71/1096325871.db2.gz YJHHGOVUJBMZMK-UHFFFAOYSA-N 1 0 356.422 4.024 20 5 FIBDRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423354732 1096654051 /nfs/dbraw/zinc/65/40/51/1096654051.db2.gz NZGRPWQXQCKQTN-PMACEKPBSA-N 1 0 351.450 4.165 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]Cc2cccc3c2CCCN3)c2cc([N+](=O)[O-])ccc21 ZINC000423414947 1096676030 /nfs/dbraw/zinc/67/60/30/1096676030.db2.gz OGIFGLSDEJCTKI-HXUWFJFHSA-N 1 0 351.450 4.465 20 5 FIBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2cc(N)ccc2O1 ZINC000423445429 1096677991 /nfs/dbraw/zinc/67/79/91/1096677991.db2.gz SCRMIOQPTNIZMP-RBUKOAKNSA-N 1 0 367.449 4.446 20 5 FIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000532904089 1098580635 /nfs/dbraw/zinc/58/06/35/1098580635.db2.gz QCSWVFXNXSMCFX-KRWDZBQOSA-N 1 0 369.446 4.420 20 5 FIBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2ncccc2[N+](=O)[O-])C1 ZINC000515480496 1098626021 /nfs/dbraw/zinc/62/60/21/1098626021.db2.gz MVTRJSYNEGKHEW-IYBDPMFKSA-N 1 0 354.454 4.080 20 5 FIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000505741417 1098631796 /nfs/dbraw/zinc/63/17/96/1098631796.db2.gz FDEUEDUQLKGWQG-UHFFFAOYSA-N 1 0 373.478 4.411 20 5 FIBDRO C[NH+](C)Cc1ccc(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc1 ZINC000515490644 1098644200 /nfs/dbraw/zinc/64/42/00/1098644200.db2.gz RGEBFGCVTKLBCC-QGZVFWFLSA-N 1 0 367.371 4.050 20 5 FIBDRO O=C(CC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000533054871 1098721377 /nfs/dbraw/zinc/72/13/77/1098721377.db2.gz YCSIMZMTBRGGQZ-HXUWFJFHSA-N 1 0 371.412 4.194 20 5 FIBDRO Cc1ccc(C)c(OC2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)c1 ZINC000505777599 1098861161 /nfs/dbraw/zinc/86/11/61/1098861161.db2.gz QGORUZIYLNZPLB-UHFFFAOYSA-N 1 0 358.413 4.394 20 5 FIBDRO CC[NH+](CC)Cc1ccc(CNc2c3c(ccc2[N+](=O)[O-])NCC3)cc1 ZINC000436271613 1098896450 /nfs/dbraw/zinc/89/64/50/1098896450.db2.gz QGCJCKFIGSHVBH-UHFFFAOYSA-N 1 0 354.454 4.017 20 5 FIBDRO CN(C(=O)C[NH2+][C@H](c1ccccc1)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000533384911 1099014336 /nfs/dbraw/zinc/01/43/36/1099014336.db2.gz POOVZKBYTUOVTR-OAQYLSRUSA-N 1 0 367.449 4.079 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]1/C=C/c1ccccc1 ZINC000505852635 1099142576 /nfs/dbraw/zinc/14/25/76/1099142576.db2.gz YIAYSMXDHAXTBO-HHNLSAEISA-N 1 0 365.433 4.020 20 5 FIBDRO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000237395426 1099460619 /nfs/dbraw/zinc/46/06/19/1099460619.db2.gz MMXAEUWQRRNSBC-OLZOCXBDSA-N 1 0 364.829 4.147 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)C1CC1 ZINC000437106275 1099611447 /nfs/dbraw/zinc/61/14/47/1099611447.db2.gz VHRYZBPLUFQEQR-MSOLQXFVSA-N 1 0 356.397 4.168 20 5 FIBDRO CC(C)[N@H+](Cc1c[nH]nc1-c1ccsc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000437580527 1100007637 /nfs/dbraw/zinc/00/76/37/1100007637.db2.gz QHJZFUKDFSPTPN-UHFFFAOYSA-N 1 0 356.451 4.457 20 5 FIBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)C1 ZINC000536658447 1100113179 /nfs/dbraw/zinc/11/31/79/1100113179.db2.gz AFJUUUKJYSLQQI-DNVCBOLYSA-N 1 0 357.454 4.017 20 5 FIBDRO CCC1(CO)CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000536661643 1100134539 /nfs/dbraw/zinc/13/45/39/1100134539.db2.gz ZZUFCQMWBBJYGS-UHFFFAOYSA-N 1 0 360.479 4.308 20 5 FIBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](CCO)c1ccccc1 ZINC000536669659 1100153510 /nfs/dbraw/zinc/15/35/10/1100153510.db2.gz XOPFRXHPIUIWFL-HXUWFJFHSA-N 1 0 366.417 4.410 20 5 FIBDRO CC[NH+](CC)[C@@H](C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccccc1 ZINC000469365228 1100155963 /nfs/dbraw/zinc/15/59/63/1100155963.db2.gz VSCGIBOLXBZBNA-LJQANCHMSA-N 1 0 355.438 4.233 20 5 FIBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536673570 1100158717 /nfs/dbraw/zinc/15/87/17/1100158717.db2.gz MECBUBCCKIBXKE-OEMHODTASA-N 1 0 365.477 4.062 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)c1c(C)noc1C ZINC000536831981 1100344003 /nfs/dbraw/zinc/34/40/03/1100344003.db2.gz KHPPMLULOYDMAK-DOMZBBRYSA-N 1 0 363.483 4.464 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000536876851 1100398945 /nfs/dbraw/zinc/39/89/45/1100398945.db2.gz OPKFWAGONYKQOV-STQMWFEESA-N 1 0 371.462 4.495 20 5 FIBDRO CCCc1nc(C)c(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000426299434 1101225916 /nfs/dbraw/zinc/22/59/16/1101225916.db2.gz VWGMEGUGMLUNMJ-RDJZCZTQSA-N 1 0 357.454 4.345 20 5 FIBDRO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000518562232 1101305728 /nfs/dbraw/zinc/30/57/28/1101305728.db2.gz CLGBEDLSHDXYJJ-SJORKVTESA-N 1 0 356.422 4.340 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cc2cccc(F)c2o1 ZINC000475705621 1101366241 /nfs/dbraw/zinc/36/62/41/1101366241.db2.gz LFUMVXXWMNGIOQ-NEPJUHHUSA-N 1 0 371.368 4.158 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)c(F)c1 ZINC000537039470 1101397464 /nfs/dbraw/zinc/39/74/64/1101397464.db2.gz WGFBFDYWBODJIO-UHFFFAOYSA-N 1 0 372.396 4.064 20 5 FIBDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4csc([N+](=O)[O-])c4)C3)nc2c1 ZINC000537019920 1101398355 /nfs/dbraw/zinc/39/83/55/1101398355.db2.gz ZUWJTDKCGCMYCT-AWEZNQCLSA-N 1 0 356.451 4.221 20 5 FIBDRO CC(C)C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000537058879 1101413720 /nfs/dbraw/zinc/41/37/20/1101413720.db2.gz CFLJBXANDCJHCF-HNNXBMFYSA-N 1 0 370.375 4.187 20 5 FIBDRO C[N@H+](Cc1cccc2[nH]ccc21)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000426385019 1101438832 /nfs/dbraw/zinc/43/88/32/1101438832.db2.gz JZVLESXETUCQDK-UHFFFAOYSA-N 1 0 361.348 4.310 20 5 FIBDRO CC(C)(C)C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000537078160 1101443104 /nfs/dbraw/zinc/44/31/04/1101443104.db2.gz UUOXDOAWSNPZED-KRWDZBQOSA-N 1 0 355.438 4.300 20 5 FIBDRO CCSc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000537102222 1101448978 /nfs/dbraw/zinc/44/89/78/1101448978.db2.gz STWPYSLWDJSMJI-AWEZNQCLSA-N 1 0 373.478 4.386 20 5 FIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cc2cccc(F)c2o1 ZINC000475719181 1101486833 /nfs/dbraw/zinc/48/68/33/1101486833.db2.gz SHGDJWKFPOENCL-LBPRGKRZSA-N 1 0 371.368 4.160 20 5 FIBDRO CC(C)c1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000428532968 1101535186 /nfs/dbraw/zinc/53/51/86/1101535186.db2.gz HXEFIWYFSIKVNC-FPOVZHCZSA-N 1 0 372.440 4.113 20 5 FIBDRO C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000455850249 1101581330 /nfs/dbraw/zinc/58/13/30/1101581330.db2.gz KQAJSQKBNWSHFA-ACJLOTCBSA-N 1 0 368.437 4.026 20 5 FIBDRO Cc1ccccc1[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000537291223 1101609885 /nfs/dbraw/zinc/60/98/85/1101609885.db2.gz OBSNTELPUDBOPS-FOIQADDNSA-N 1 0 367.449 4.280 20 5 FIBDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537317380 1101650402 /nfs/dbraw/zinc/65/04/02/1101650402.db2.gz IHDNDRSUKVWION-QWHCGFSZSA-N 1 0 366.845 4.395 20 5 FIBDRO CC[NH+]1CCN(c2ccccc2N[C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000537443254 1101795857 /nfs/dbraw/zinc/79/58/57/1101795857.db2.gz YGGJTWMHKBYRBC-QGZVFWFLSA-N 1 0 368.481 4.218 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000439889995 1101859096 /nfs/dbraw/zinc/85/90/96/1101859096.db2.gz YQVNKSOXPWIQRN-AWEZNQCLSA-N 1 0 371.412 4.146 20 5 FIBDRO C[N@H+](CCNC(=O)c1cc2ccccc2c2cccnc12)C1CCCCC1 ZINC000519060628 1101884598 /nfs/dbraw/zinc/88/45/98/1101884598.db2.gz FZJMDCLVQCZJBM-UHFFFAOYSA-N 1 0 361.489 4.382 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000152553135 1101905513 /nfs/dbraw/zinc/90/55/13/1101905513.db2.gz RQCMKNUZEFWPMP-CRAIPNDOSA-N 1 0 373.453 4.074 20 5 FIBDRO CC(C)c1ccc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000473631997 1102343246 /nfs/dbraw/zinc/34/32/46/1102343246.db2.gz NKUAIJQFWQWIGE-UHFFFAOYSA-N 1 0 355.438 4.075 20 5 FIBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccc(C)cc1 ZINC000532490867 1102436295 /nfs/dbraw/zinc/43/62/95/1102436295.db2.gz MYULESSJWSQOSX-UHFFFAOYSA-N 1 0 355.438 4.062 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cccc(CO)c3)o2)c(Cl)c1 ZINC000237987718 1102608590 /nfs/dbraw/zinc/60/85/90/1102608590.db2.gz VFGVFLHCVZXJBR-UHFFFAOYSA-N 1 0 372.808 4.290 20 5 FIBDRO Cc1nccnc1CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000550894013 1102669838 /nfs/dbraw/zinc/66/98/38/1102669838.db2.gz BSIOKWBPHBFFRK-AWEZNQCLSA-N 1 0 368.462 4.315 20 5 FIBDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000537658532 1102774897 /nfs/dbraw/zinc/77/48/97/1102774897.db2.gz LMCVEPJNRFOGOR-GOSISDBHSA-N 1 0 364.449 4.226 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)c([N+](=O)[O-])cc1F ZINC000184311498 1102841409 /nfs/dbraw/zinc/84/14/09/1102841409.db2.gz BNLPYAICZNZOLN-CQSZACIVSA-N 1 0 373.428 4.194 20 5 FIBDRO Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3Br)cc1[N+](=O)[O-] ZINC000237804738 1102854910 /nfs/dbraw/zinc/85/49/10/1102854910.db2.gz QRIFYBIPIJDADB-INIZCTEOSA-N 1 0 361.239 4.443 20 5 FIBDRO CC(C)c1ccc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)cc1[N+](=O)[O-] ZINC000550270182 1102894977 /nfs/dbraw/zinc/89/49/77/1102894977.db2.gz IIVADNHKPKQJHS-UHFFFAOYSA-N 1 0 367.371 4.464 20 5 FIBDRO O=[N+]([O-])c1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000237813095 1102944890 /nfs/dbraw/zinc/94/48/90/1102944890.db2.gz ONGSKIHUDCQUTP-UHFFFAOYSA-N 1 0 359.857 4.002 20 5 FIBDRO CC(C)[N@H+](Cc1c[nH]nc1-c1cccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000507172331 1103193796 /nfs/dbraw/zinc/19/37/96/1103193796.db2.gz BJSHXORLFMNYIO-UHFFFAOYSA-N 1 0 356.451 4.457 20 5 FIBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C2CC2)c1 ZINC000507175145 1103194227 /nfs/dbraw/zinc/19/42/27/1103194227.db2.gz VQKFMNPTILSSNI-UHFFFAOYSA-N 1 0 366.396 4.289 20 5 FIBDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)CCc1ccc([N+](=O)[O-])cc1 ZINC000507198135 1103195456 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OGYRLVGOQVUKQW-SFHVURJKSA-N 1 0 374.824 4.356 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000536488341 1105167043 /nfs/dbraw/zinc/16/70/43/1105167043.db2.gz OJOJLQWRYGLGPV-UHFFFAOYSA-N 1 0 365.477 4.083 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000507894798 1105258827 /nfs/dbraw/zinc/25/88/27/1105258827.db2.gz JOSCHNMPPWHTFL-UHFFFAOYSA-N 1 0 360.413 4.487 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000451101972 1106931676 /nfs/dbraw/zinc/93/16/76/1106931676.db2.gz GPUOMLNMQBXKKI-VBQJREDUSA-N 1 0 373.478 4.059 20 5 FIBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451626732 1107212500 /nfs/dbraw/zinc/21/25/00/1107212500.db2.gz LOXOBTRCIVDUAT-PBHICJAKSA-N 1 0 350.846 4.029 20 5 FIBDRO Cc1cc(N2CCO[C@@H](c3ccc(F)cc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302157186 1107320264 /nfs/dbraw/zinc/32/02/64/1107320264.db2.gz IYOOZCSMIUNVQD-HXUWFJFHSA-N 1 0 367.380 4.168 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451853065 1107343704 /nfs/dbraw/zinc/34/37/04/1107343704.db2.gz LFTWMNYFVNLGKI-LJQANCHMSA-N 1 0 369.421 4.052 20 5 FIBDRO CCN(CC)C(=O)[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000531203850 1107645243 /nfs/dbraw/zinc/64/52/43/1107645243.db2.gz YHNKBCYOXNDDDV-UZLBHIALSA-N 1 0 369.465 4.164 20 5 FIBDRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000088287329 1107654527 /nfs/dbraw/zinc/65/45/27/1107654527.db2.gz YOHSLDPEPOIDRG-UHFFFAOYSA-N 1 0 359.813 4.096 20 5 FIBDRO Cc1cc(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000531304728 1107747109 /nfs/dbraw/zinc/74/71/09/1107747109.db2.gz RDKVUPRIQVTGFE-KRWDZBQOSA-N 1 0 360.845 4.201 20 5 FIBDRO COc1cc(C[NH2+]C2CC(C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531445054 1107903191 /nfs/dbraw/zinc/90/31/91/1107903191.db2.gz ZNJRPIQDOBLOPE-UHFFFAOYSA-N 1 0 356.422 4.071 20 5 FIBDRO O=[N+]([O-])c1ccc(CNc2[nH+]ccn2Cc2ccccc2Cl)c(F)c1 ZINC000508503114 1108042227 /nfs/dbraw/zinc/04/22/27/1108042227.db2.gz GZOPZFWXXMOLRY-UHFFFAOYSA-N 1 0 360.776 4.244 20 5 FIBDRO CC(C)(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc(F)cc1 ZINC000444655530 1108051943 /nfs/dbraw/zinc/05/19/43/1108051943.db2.gz WCKJJBIQZNFYNS-UHFFFAOYSA-N 1 0 356.401 4.411 20 5 FIBDRO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)O[C@H](C)C2 ZINC000531688736 1108054770 /nfs/dbraw/zinc/05/47/70/1108054770.db2.gz DTGHJAXIIOSLOV-HIFRSBDPSA-N 1 0 370.449 4.476 20 5 FIBDRO COc1ccc(COCCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000531710232 1108089015 /nfs/dbraw/zinc/08/90/15/1108089015.db2.gz YRJQAEPRJJBXCZ-INIZCTEOSA-N 1 0 358.438 4.169 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444787188 1108186090 /nfs/dbraw/zinc/18/60/90/1108186090.db2.gz QGJSKUMLTUHXQB-GOSISDBHSA-N 1 0 368.477 4.281 20 5 FIBDRO Cc1ccc(C[C@H](C)[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000523441379 1108225286 /nfs/dbraw/zinc/22/52/86/1108225286.db2.gz PQRNOKOLCDOHCY-HNNXBMFYSA-N 1 0 366.421 4.016 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000532209636 1108712498 /nfs/dbraw/zinc/71/24/98/1108712498.db2.gz DUAVYXYOXNSFKY-LSDHHAIUSA-N 1 0 359.495 4.062 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000532246715 1108725646 /nfs/dbraw/zinc/72/56/46/1108725646.db2.gz OGADFIGTSVAOSY-KGLIPLIRSA-N 1 0 361.392 4.111 20 5 FIBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532244183 1108734273 /nfs/dbraw/zinc/73/42/73/1108734273.db2.gz XIRHIXTVWMNIEQ-PZJWPPBQSA-N 1 0 365.477 4.081 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)CN(Cc1cccc(OCC(F)(F)F)c1)CC2 ZINC000532293373 1108747331 /nfs/dbraw/zinc/74/73/31/1108747331.db2.gz BQCBUNCUAZGTMA-UHFFFAOYSA-N 1 0 366.339 4.094 20 5 FIBDRO Cc1cn2c(n1)[C@H](C[NH2+]Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CCC2 ZINC000525182023 1109292945 /nfs/dbraw/zinc/29/29/45/1109292945.db2.gz ROLQVDHMCQLYNH-INIZCTEOSA-N 1 0 366.421 4.027 20 5 FIBDRO COc1ccc(OCC[N@H+](C)[C@@H](C)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000441215911 1109475585 /nfs/dbraw/zinc/47/55/85/1109475585.db2.gz BHSDGVCSDCIHFF-ZDUSSCGKSA-N 1 0 364.829 4.329 20 5 FIBDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000428481142 1109533930 /nfs/dbraw/zinc/53/39/30/1109533930.db2.gz DPQQVPMRNRVARE-LJQANCHMSA-N 1 0 360.479 4.308 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc3ccccc3c2)n1 ZINC000447526411 1109562386 /nfs/dbraw/zinc/56/23/86/1109562386.db2.gz BHLNRJJQVHCTKP-RTBURBONSA-N 1 0 350.422 4.218 20 5 FIBDRO Cc1ccc(OCCCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447527358 1109562965 /nfs/dbraw/zinc/56/29/65/1109562965.db2.gz DVLQSPYGBWKGAU-OALUTQOASA-N 1 0 372.469 4.032 20 5 FIBDRO COc1ccccc1O[C@@H](C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447531693 1109568824 /nfs/dbraw/zinc/56/88/24/1109568824.db2.gz SMPKVGZZYBHOSL-KSSFIOAISA-N 1 0 356.422 4.038 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2C(F)(F)F)n1 ZINC000447537660 1109571496 /nfs/dbraw/zinc/57/14/96/1109571496.db2.gz XPFPUDLOUBEGGQ-GJZGRUSLSA-N 1 0 368.359 4.084 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2C(F)(F)F)n1 ZINC000447537662 1109571995 /nfs/dbraw/zinc/57/19/95/1109571995.db2.gz XPFPUDLOUBEGGQ-LSDHHAIUSA-N 1 0 368.359 4.084 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC1CC[NH+](C3CCCCC3)CC1)CCC2 ZINC000447560512 1109581703 /nfs/dbraw/zinc/58/17/03/1109581703.db2.gz DMFJKBFOURGCAH-NRFANRHFSA-N 1 0 357.498 4.359 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCSc3ccccc32)n1 ZINC000447585483 1109587667 /nfs/dbraw/zinc/58/76/67/1109587667.db2.gz JFHLDSDYWIDYIV-OWCLPIDISA-N 1 0 358.467 4.102 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000447587770 1109587672 /nfs/dbraw/zinc/58/76/72/1109587672.db2.gz RJNCYJCGMLNXDM-APIJFGDWSA-N 1 0 374.407 4.233 20 5 FIBDRO Cn1cc(-c2ccccc2C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000447589572 1109588764 /nfs/dbraw/zinc/58/87/64/1109588764.db2.gz YEQUCMDGWAEIEY-OAQYLSRUSA-N 1 0 362.433 4.163 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000526944816 1109646130 /nfs/dbraw/zinc/64/61/30/1109646130.db2.gz FFUJBBZDPFSAQI-ZDUSSCGKSA-N 1 0 369.446 4.407 20 5 FIBDRO O=[N+]([O-])c1ccc2sc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)cc2c1 ZINC000447951408 1109679676 /nfs/dbraw/zinc/67/96/76/1109679676.db2.gz MONGLUKBMBQUIS-UHFFFAOYSA-N 1 0 363.358 4.174 20 5 FIBDRO COc1ccc(C[NH+]2[C@H](C)C[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000527238486 1109719560 /nfs/dbraw/zinc/71/95/60/1109719560.db2.gz FOSJFZAUTNGYJW-HUUCEWRRSA-N 1 0 356.422 4.165 20 5 FIBDRO C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163299397 1109949011 /nfs/dbraw/zinc/94/90/11/1109949011.db2.gz VUJHZEHVSKKZPD-ZDUSSCGKSA-N 1 0 371.828 4.022 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000449090241 1109978275 /nfs/dbraw/zinc/97/82/75/1109978275.db2.gz GBIUYBXUQKEYSO-MRXNPFEDSA-N 1 0 372.440 4.003 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000449202970 1109998188 /nfs/dbraw/zinc/99/81/88/1109998188.db2.gz JOJAFJIYOGCRKO-XVSDVWIESA-N 1 0 360.841 4.299 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000449240575 1110009719 /nfs/dbraw/zinc/00/97/19/1110009719.db2.gz ZOLSHAIHSNYSMZ-HEFCMCLBSA-N 1 0 358.413 4.175 20 5 FIBDRO CC(C)([NH2+]Cc1ccc2c(c1)OCCCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000449244203 1110010491 /nfs/dbraw/zinc/01/04/91/1110010491.db2.gz QQLYOBVVGOFEAZ-UHFFFAOYSA-N 1 0 356.422 4.171 20 5 FIBDRO C[C@H](CC(C)(C)O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000449447872 1110072129 /nfs/dbraw/zinc/07/21/29/1110072129.db2.gz CITJNJIVZBPPQT-LLVKDONJSA-N 1 0 352.818 4.147 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3CCOC4(CCC4)C3)o2)c1 ZINC000449473590 1110082506 /nfs/dbraw/zinc/08/25/06/1110082506.db2.gz HWUSOLVZIVTJNI-OAHLLOKOSA-N 1 0 356.422 4.294 20 5 FIBDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000449663970 1110140069 /nfs/dbraw/zinc/14/00/69/1110140069.db2.gz AYERCLZQBOAGOJ-CYBMUJFWSA-N 1 0 356.451 4.391 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000449771560 1110166108 /nfs/dbraw/zinc/16/61/08/1110166108.db2.gz YPLHRPWYJADCAS-BKSIFSGMSA-N 1 0 358.463 4.163 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+](C[C@@H]3CCOC3)C3CC3)s2)cc1 ZINC000129919602 1110213222 /nfs/dbraw/zinc/21/32/22/1110213222.db2.gz GSCGSSRBPHEFRG-AWEZNQCLSA-N 1 0 358.463 4.324 20 5 FIBDRO CCCc1ccc2[nH+]ccc(N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c2c1 ZINC000450480496 1110303744 /nfs/dbraw/zinc/30/37/44/1110303744.db2.gz BORMFIMSYYSUAL-UHFFFAOYSA-N 1 0 365.437 4.134 20 5 FIBDRO CC[C@H](NCc1ccn(CCc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000450677874 1110332409 /nfs/dbraw/zinc/33/24/09/1110332409.db2.gz HBNADMSLACAIEL-NRFANRHFSA-N 1 0 364.449 4.275 20 5 FIBDRO COC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(C)C ZINC000538401525 1111116712 /nfs/dbraw/zinc/11/67/12/1111116712.db2.gz IIISFTYUDGVBGO-INIZCTEOSA-N 1 0 352.818 4.269 20 5 FIBDRO C[C@@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000538589708 1111212163 /nfs/dbraw/zinc/21/21/63/1111212163.db2.gz RJNFLXBAONKLJB-BRWVUGGUSA-N 1 0 369.465 4.377 20 5 FIBDRO C[C@H]1CC[N@H+](C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000538739506 1111272658 /nfs/dbraw/zinc/27/26/58/1111272658.db2.gz QQJIBJCHWANVTE-ZDUSSCGKSA-N 1 0 363.845 4.034 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000470174682 1111292005 /nfs/dbraw/zinc/29/20/05/1111292005.db2.gz MLUBGZVRAVLLJD-QINSGFPZSA-N 1 0 360.454 4.052 20 5 FIBDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000539063270 1111408707 /nfs/dbraw/zinc/40/87/07/1111408707.db2.gz YKORAZXKQSIDKQ-AUSJPIAWSA-N 1 0 358.438 4.339 20 5 FIBDRO Cc1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461963310 1111442279 /nfs/dbraw/zinc/44/22/79/1111442279.db2.gz IDBNDTWRPPIXAY-AWEZNQCLSA-N 1 0 371.403 4.377 20 5 FIBDRO CC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000539360177 1111536187 /nfs/dbraw/zinc/53/61/87/1111536187.db2.gz PJURHOYJZWXTBP-MRXNPFEDSA-N 1 0 366.364 4.001 20 5 FIBDRO Cc1c(C[NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000478508993 1111798634 /nfs/dbraw/zinc/79/86/34/1111798634.db2.gz XPCHDGCAKPTDBT-HNNXBMFYSA-N 1 0 370.453 4.284 20 5 FIBDRO CC(=O)c1cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000552908265 1111845474 /nfs/dbraw/zinc/84/54/74/1111845474.db2.gz PUMWGTNUEJLIBC-FQEVSTJZSA-N 1 0 353.422 4.046 20 5 FIBDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(OC)c(OC)cc21)c1cccc([N+](=O)[O-])c1 ZINC000479071339 1111940739 /nfs/dbraw/zinc/94/07/39/1111940739.db2.gz RCXXPPKMRQVDAN-QZTJIDSGSA-N 1 0 356.422 4.340 20 5 FIBDRO CCC[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000479871011 1112171389 /nfs/dbraw/zinc/17/13/89/1112171389.db2.gz FAQLRCYVSIXZCG-OALUTQOASA-N 1 0 357.454 4.456 20 5 FIBDRO CC[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000480091044 1112275268 /nfs/dbraw/zinc/27/52/68/1112275268.db2.gz HZEKZDAQPJQSIH-RBUKOAKNSA-N 1 0 357.454 4.456 20 5 FIBDRO CC[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000480284780 1112373389 /nfs/dbraw/zinc/37/33/89/1112373389.db2.gz RVLBPGCIETUGJI-HXUWFJFHSA-N 1 0 350.422 4.064 20 5 FIBDRO COc1ccc(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)cc1[N+](=O)[O-] ZINC000554735812 1112464894 /nfs/dbraw/zinc/46/48/94/1112464894.db2.gz YBJNFOJPVNABPU-QGZVFWFLSA-N 1 0 351.406 4.252 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000480548663 1112470742 /nfs/dbraw/zinc/47/07/42/1112470742.db2.gz JYUUMHZGWCCPRB-UHFFFAOYSA-N 1 0 357.376 4.120 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000480554103 1112473871 /nfs/dbraw/zinc/47/38/71/1112473871.db2.gz KRFMIHLLOHNAQD-UHFFFAOYSA-N 1 0 357.376 4.120 20 5 FIBDRO COc1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1OC(C)C ZINC000554873121 1112539752 /nfs/dbraw/zinc/53/97/52/1112539752.db2.gz RQVWQEDLBGGDOH-UHFFFAOYSA-N 1 0 358.438 4.065 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)cc1 ZINC000600125168 1112901025 /nfs/dbraw/zinc/90/10/25/1112901025.db2.gz OYNJBYGOTANHGB-UHFFFAOYSA-N 1 0 351.406 4.120 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000555680035 1112966202 /nfs/dbraw/zinc/96/62/02/1112966202.db2.gz OQIVDEFDDADHBG-UHFFFAOYSA-N 1 0 362.470 4.165 20 5 FIBDRO COc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000482646093 1113319746 /nfs/dbraw/zinc/31/97/46/1113319746.db2.gz JYOIBRMJWLLIKB-CQSZACIVSA-N 1 0 358.438 4.240 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3(c4ccccc4)CCCCC3)nc2c1 ZINC000482682439 1113329951 /nfs/dbraw/zinc/32/99/51/1113329951.db2.gz JYOWBDRJQUDESG-UHFFFAOYSA-N 1 0 350.422 4.420 20 5 FIBDRO Cc1cccc(CC2(O)CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000482945772 1113405132 /nfs/dbraw/zinc/40/51/32/1113405132.db2.gz NHUUSXUBCCVUNP-QGZVFWFLSA-N 1 0 354.450 4.034 20 5 FIBDRO COc1cccc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000483151672 1113455805 /nfs/dbraw/zinc/45/58/05/1113455805.db2.gz AQFOFXUGGBAPST-FUHWJXTLSA-N 1 0 369.465 4.231 20 5 FIBDRO CC[C@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000483162502 1113459173 /nfs/dbraw/zinc/45/91/73/1113459173.db2.gz XTLARZQIBUGDSB-ZWKOTPCHSA-N 1 0 363.408 4.217 20 5 FIBDRO COCCOc1cc(C)ccc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192947329 1113573659 /nfs/dbraw/zinc/57/36/59/1113573659.db2.gz VLIDXCQDPNWFEY-FQEVSTJZSA-N 1 0 370.449 4.096 20 5 FIBDRO Cc1n[nH]cc1C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000192948134 1113574595 /nfs/dbraw/zinc/57/45/95/1113574595.db2.gz FNTUKPOZNREWEU-UHFFFAOYSA-N 1 0 372.812 4.362 20 5 FIBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccncc21 ZINC000192954292 1113579882 /nfs/dbraw/zinc/57/98/82/1113579882.db2.gz VESKBPSMYAQYAL-QGZVFWFLSA-N 1 0 362.433 4.077 20 5 FIBDRO CCCC[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000486933057 1113679875 /nfs/dbraw/zinc/67/98/75/1113679875.db2.gz HUOWVCYMHQBFLU-UHFFFAOYSA-N 1 0 356.470 4.091 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000488458153 1113932060 /nfs/dbraw/zinc/93/20/60/1113932060.db2.gz DSVPBXBPLCJOOB-QWHCGFSZSA-N 1 0 361.829 4.316 20 5 FIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000488501782 1113943709 /nfs/dbraw/zinc/94/37/09/1113943709.db2.gz LQNINPKOWUSSBR-CHWSQXEVSA-N 1 0 361.829 4.316 20 5 FIBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(-c4cccs4)cc3)CC2)n1 ZINC000489011905 1114031719 /nfs/dbraw/zinc/03/17/19/1114031719.db2.gz LYLNYOWNZHVGPO-UHFFFAOYSA-N 1 0 368.462 4.357 20 5 FIBDRO CC(=O)c1ccc(NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000489205299 1114068828 /nfs/dbraw/zinc/06/88/28/1114068828.db2.gz LVFXVAAFPBWERG-NRFANRHFSA-N 1 0 367.449 4.355 20 5 FIBDRO CC(C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000028842937 1114078615 /nfs/dbraw/zinc/07/86/15/1114078615.db2.gz WXSJSXLOLUAEHT-UHFFFAOYSA-N 1 0 361.829 4.097 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490029413 1114204937 /nfs/dbraw/zinc/20/49/37/1114204937.db2.gz JWNJZOWXUYFNEI-ICSRJNTNSA-N 1 0 367.493 4.418 20 5 FIBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490082819 1114216476 /nfs/dbraw/zinc/21/64/76/1114216476.db2.gz SZKFQDOAIUZMLB-QGZVFWFLSA-N 1 0 369.465 4.185 20 5 FIBDRO COc1cc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000490090409 1114217336 /nfs/dbraw/zinc/21/73/36/1114217336.db2.gz UPTTYKHASFTVKT-MRXNPFEDSA-N 1 0 358.463 4.218 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000586778941 1114391937 /nfs/dbraw/zinc/39/19/37/1114391937.db2.gz GPNLULMFTSPMPN-GUDVDZBRSA-N 1 0 372.852 4.253 20 5 FIBDRO CC(=O)c1cc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000587528789 1114446892 /nfs/dbraw/zinc/44/68/92/1114446892.db2.gz TWGMJWOZJXSHAS-GOSISDBHSA-N 1 0 367.449 4.122 20 5 FIBDRO CCC[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000571466969 1114466177 /nfs/dbraw/zinc/46/61/77/1114466177.db2.gz LJHWNTDMSMJVOY-NRFANRHFSA-N 1 0 369.465 4.062 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000164377838 1114475746 /nfs/dbraw/zinc/47/57/46/1114475746.db2.gz SQJQHGNIZUSWJF-IBGZPJMESA-N 1 0 353.422 4.069 20 5 FIBDRO COc1ccc([C@@H](C)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)c(C)c1OC ZINC000588215979 1114556075 /nfs/dbraw/zinc/55/60/75/1114556075.db2.gz KCOMZFMWBVMDRP-OAHLLOKOSA-N 1 0 374.437 4.040 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[C@@H](CO)C3)s2)cc1 ZINC000588931554 1114676637 /nfs/dbraw/zinc/67/66/37/1114676637.db2.gz WHBOZRCRFZUCPO-LSDHHAIUSA-N 1 0 360.479 4.212 20 5 FIBDRO CC(C)[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)cn1 ZINC000588959986 1114681433 /nfs/dbraw/zinc/68/14/33/1114681433.db2.gz TVTMWBJAHHPDHU-IBGZPJMESA-N 1 0 356.401 4.140 20 5 FIBDRO COc1cccc([C@@H](CNc2ccc(C(F)F)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000589103590 1114696929 /nfs/dbraw/zinc/69/69/29/1114696929.db2.gz NUEZJWUYEAPNFY-QGZVFWFLSA-N 1 0 365.380 4.256 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000573862626 1115192394 /nfs/dbraw/zinc/19/23/94/1115192394.db2.gz RNWJFVAUZPCMEI-UGSOOPFHSA-N 1 0 366.396 4.258 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(OC[C@@H]2CCOC2)c1 ZINC000167160289 1115211446 /nfs/dbraw/zinc/21/14/46/1115211446.db2.gz KUYKPAAQACHGDU-DLBZAZTESA-N 1 0 370.449 4.169 20 5 FIBDRO CC(C)C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccncc1 ZINC000592390292 1115225371 /nfs/dbraw/zinc/22/53/71/1115225371.db2.gz PCAJVNAMMVRJOL-FQEVSTJZSA-N 1 0 352.438 4.391 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000593077910 1115299860 /nfs/dbraw/zinc/29/98/60/1115299860.db2.gz RYLGSFMAVBFVSO-JKIFEVAISA-N 1 0 370.453 4.117 20 5 FIBDRO COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000594503322 1115451645 /nfs/dbraw/zinc/45/16/45/1115451645.db2.gz JJKZBAJFXWKNCD-DJJJIMSYSA-N 1 0 354.406 4.110 20 5 FIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000594518920 1115458883 /nfs/dbraw/zinc/45/88/83/1115458883.db2.gz RAHQTKXAIYQLGM-CHWSQXEVSA-N 1 0 369.412 4.116 20 5 FIBDRO Cc1c(Br)cncc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000594942688 1115501344 /nfs/dbraw/zinc/50/13/44/1115501344.db2.gz ZAOXBWZNLZAMGH-UHFFFAOYSA-N 1 0 364.243 4.086 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1cccc2cccnc21 ZINC000595004534 1115507462 /nfs/dbraw/zinc/50/74/62/1115507462.db2.gz TVDZXSSGSUPRRI-AWEZNQCLSA-N 1 0 351.406 4.045 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000595004492 1115507475 /nfs/dbraw/zinc/50/74/75/1115507475.db2.gz AMIPWAIHGQJJTL-LUQKVYGDSA-N 1 0 370.449 4.422 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000595037331 1115510744 /nfs/dbraw/zinc/51/07/44/1115510744.db2.gz DZZOGEYHUBJFFY-OAVHHTNSSA-N 1 0 362.451 4.018 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1ccnc2ccccc12)C1CC1 ZINC000595072888 1115511976 /nfs/dbraw/zinc/51/19/76/1115511976.db2.gz KCNOKGZHPNBRTL-NRFANRHFSA-N 1 0 361.445 4.296 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000595049214 1115512188 /nfs/dbraw/zinc/51/21/88/1115512188.db2.gz HGPZNKFFEPIAHY-BJZITVGISA-N 1 0 356.422 4.174 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000595052549 1115512498 /nfs/dbraw/zinc/51/24/98/1115512498.db2.gz ZFSFVZLAISJOKX-VQCLRJIVSA-N 1 0 350.459 4.238 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1c(C2CCC2)cnn1C ZINC000595099112 1115516091 /nfs/dbraw/zinc/51/60/91/1115516091.db2.gz RBLAQFKDHFERSN-OAHLLOKOSA-N 1 0 374.510 4.256 20 5 FIBDRO C[C@H]([NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000595102453 1115516113 /nfs/dbraw/zinc/51/61/13/1115516113.db2.gz ICGBBWHTHIMFRU-KKSFZXQISA-N 1 0 370.449 4.141 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCC2(CC2(F)F)CC1)C1CC1 ZINC000595100459 1115516122 /nfs/dbraw/zinc/51/61/22/1115516122.db2.gz WCWFVHPDWXISRX-UPTPFMHGSA-N 1 0 350.409 4.474 20 5 FIBDRO COc1ccccc1-c1cc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])on1 ZINC000595105846 1115516473 /nfs/dbraw/zinc/51/64/73/1115516473.db2.gz ZMJYJLQZILDJCH-KRWDZBQOSA-N 1 0 365.389 4.036 20 5 FIBDRO CC[C@H](CC(F)F)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000595562760 1115540607 /nfs/dbraw/zinc/54/06/07/1115540607.db2.gz LOMCIDZBGFMZBH-DJIMGWMZSA-N 1 0 370.440 4.382 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CC[C@H](O)CC1 ZINC000595561265 1115540656 /nfs/dbraw/zinc/54/06/56/1115540656.db2.gz DNFRTCFSRSEPFW-SCQOQHIRSA-N 1 0 358.482 4.137 20 5 FIBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCCC2 ZINC000575218233 1115549069 /nfs/dbraw/zinc/54/90/69/1115549069.db2.gz XCFUVCQWZLHUBQ-MSOLQXFVSA-N 1 0 371.437 4.077 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H]3CCCC34CCCCC4)o2)cc1 ZINC000595606222 1115552945 /nfs/dbraw/zinc/55/29/45/1115552945.db2.gz VJDGPHMIWTWZPU-INIZCTEOSA-N 1 0 356.426 4.237 20 5 FIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C2CCC2)CC1 ZINC000595661056 1115555565 /nfs/dbraw/zinc/55/55/65/1115555565.db2.gz XBAHOOZGNIPHRO-CYBMUJFWSA-N 1 0 356.426 4.218 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)C1CCC(F)CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595817714 1115562577 /nfs/dbraw/zinc/56/25/77/1115562577.db2.gz BQBJHWFMTYVKBA-HJZMNPPUSA-N 1 0 362.405 4.212 20 5 FIBDRO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000593312006 1115649644 /nfs/dbraw/zinc/64/96/44/1115649644.db2.gz GMCHDRBWOLAAMO-UHFFFAOYSA-N 1 0 371.462 4.035 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000597255190 1115651330 /nfs/dbraw/zinc/65/13/30/1115651330.db2.gz SNNSKTIGDJFZKT-HXUWFJFHSA-N 1 0 369.465 4.107 20 5 FIBDRO Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602573071 1115711494 /nfs/dbraw/zinc/71/14/94/1115711494.db2.gz YBNUIVZBFXJAIW-VIFPVBQESA-N 1 0 357.332 4.112 20 5 FIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]C[C@@H](C)O)cc2[N+](=O)[O-])c1 ZINC000060816470 1115713489 /nfs/dbraw/zinc/71/34/89/1115713489.db2.gz NVMVNGDDFBBCCG-OAHLLOKOSA-N 1 0 358.438 4.289 20 5 FIBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000602664643 1115717770 /nfs/dbraw/zinc/71/77/70/1115717770.db2.gz OMVFQVDDYHASJN-PHIMTYICSA-N 1 0 357.332 4.289 20 5 FIBDRO CC1CCN([C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000061015152 1115749705 /nfs/dbraw/zinc/74/97/05/1115749705.db2.gz RJENQWRENAZNCV-SFHVURJKSA-N 1 0 359.495 4.219 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)cc1 ZINC000599017077 1115779556 /nfs/dbraw/zinc/77/95/56/1115779556.db2.gz XCBVBQFXBZNTLB-INIZCTEOSA-N 1 0 355.221 4.115 20 5 FIBDRO O=[N+]([O-])c1cc(CNc2ccc(SCC[NH+]3CCCC3)cc2)cs1 ZINC000593678459 1115790334 /nfs/dbraw/zinc/79/03/34/1115790334.db2.gz LAWSOPSFASKXSE-UHFFFAOYSA-N 1 0 363.508 4.456 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CCC2(CO)CCC2)ccc1Oc1ccc(F)cc1 ZINC000593693520 1115798341 /nfs/dbraw/zinc/79/83/41/1115798341.db2.gz NXJLZLXXCVXPCK-UHFFFAOYSA-N 1 0 374.412 4.169 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC3(CO)CCC3)o2)c(Cl)c1 ZINC000593693702 1115798730 /nfs/dbraw/zinc/79/87/30/1115798730.db2.gz RHLIJSZIMSPNIE-UHFFFAOYSA-N 1 0 364.829 4.151 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000593715015 1115801250 /nfs/dbraw/zinc/80/12/50/1115801250.db2.gz FXVVDGUDRUFGFP-FBBABVLZSA-N 1 0 358.482 4.101 20 5 FIBDRO CCOc1ccc([C@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000603838728 1115818146 /nfs/dbraw/zinc/81/81/46/1115818146.db2.gz FFKYTYKGZRDUPX-GOSISDBHSA-N 1 0 356.422 4.209 20 5 FIBDRO COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])c(C)c1)[NH+]1CCCC1 ZINC000603839111 1115818249 /nfs/dbraw/zinc/81/82/49/1115818249.db2.gz SBHLPSDGWLNNIO-IBGZPJMESA-N 1 0 355.438 4.161 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000603909370 1115829276 /nfs/dbraw/zinc/82/92/76/1115829276.db2.gz TXOVBJYJLPVNRG-CYBMUJFWSA-N 1 0 359.451 4.283 20 5 FIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000603909371 1115829411 /nfs/dbraw/zinc/82/94/11/1115829411.db2.gz TXOVBJYJLPVNRG-ZDUSSCGKSA-N 1 0 359.451 4.283 20 5 FIBDRO Cc1sc(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000603910280 1115829956 /nfs/dbraw/zinc/82/99/56/1115829956.db2.gz NCOZCYAWLGVLDB-UHFFFAOYSA-N 1 0 373.478 4.449 20 5 FIBDRO C/C=C/C[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000599689599 1115836269 /nfs/dbraw/zinc/83/62/69/1115836269.db2.gz JZYKUYLKBPCGIW-LRPXVYOUSA-N 1 0 356.426 4.384 20 5 FIBDRO Cc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000604435116 1115865292 /nfs/dbraw/zinc/86/52/92/1115865292.db2.gz XYFLPJHOLFICDB-HXUWFJFHSA-N 1 0 367.449 4.377 20 5 FIBDRO COc1ccc([C@@H](CNc2ccsc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000604433068 1115865312 /nfs/dbraw/zinc/86/53/12/1115865312.db2.gz FMIQQPBTZREVSP-QGZVFWFLSA-N 1 0 361.467 4.304 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604520783 1115867380 /nfs/dbraw/zinc/86/73/80/1115867380.db2.gz PTIRUKPDJCIWLV-UTKZUKDTSA-N 1 0 370.449 4.203 20 5 FIBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000604532416 1115869356 /nfs/dbraw/zinc/86/93/56/1115869356.db2.gz RLDDMNBFTUHOPA-UHFFFAOYSA-N 1 0 350.365 4.264 20 5 FIBDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC000172122389 1115917887 /nfs/dbraw/zinc/91/78/87/1115917887.db2.gz WXWNHIIIGLOLBG-CYBMUJFWSA-N 1 0 361.894 4.169 20 5 FIBDRO Cc1ccc([C@@H](C)[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000063505282 1116075126 /nfs/dbraw/zinc/07/51/26/1116075126.db2.gz HIFJHUCKMAZZSE-MRXNPFEDSA-N 1 0 355.438 4.233 20 5 FIBDRO Cc1cc(C)n(CCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000608835422 1116130940 /nfs/dbraw/zinc/13/09/40/1116130940.db2.gz BRETVGYWTIZOCJ-UHFFFAOYSA-N 1 0 370.478 4.317 20 5 FIBDRO COc1ccc(OCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000608835737 1116131061 /nfs/dbraw/zinc/13/10/61/1116131061.db2.gz NNZBPBOJRJJFEN-UHFFFAOYSA-N 1 0 368.389 4.032 20 5 FIBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCC[C@H](C)C1 ZINC000608836419 1116131184 /nfs/dbraw/zinc/13/11/84/1116131184.db2.gz WCGZRJZXIXSHGS-JKSUJKDBSA-N 1 0 357.454 4.065 20 5 FIBDRO C[C@@H](CN1CCCCC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000608836374 1116131269 /nfs/dbraw/zinc/13/12/69/1116131269.db2.gz QYXHKRITAPYUCQ-HNNXBMFYSA-N 1 0 359.495 4.287 20 5 FIBDRO C[C@@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[NH+]1CCCCC1 ZINC000608836022 1116131345 /nfs/dbraw/zinc/13/13/45/1116131345.db2.gz DBQRJVHAMVAGMX-INIZCTEOSA-N 1 0 357.454 4.066 20 5 FIBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 ZINC000456270705 1116173401 /nfs/dbraw/zinc/17/34/01/1116173401.db2.gz VWRDAQRNDHNHLN-INIZCTEOSA-N 1 0 359.813 4.049 20 5 FIBDRO CSc1cccc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000456308049 1116177758 /nfs/dbraw/zinc/17/77/58/1116177758.db2.gz JAJIWMVSNXJSGQ-INIZCTEOSA-N 1 0 371.462 4.118 20 5 FIBDRO C[C@H](C[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000534855285 1116243019 /nfs/dbraw/zinc/24/30/19/1116243019.db2.gz NYMPPWJZGDXOFN-OAHLLOKOSA-N 1 0 351.406 4.485 20 5 FIBDRO C[NH2+]Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 ZINC000457362506 1116270028 /nfs/dbraw/zinc/27/00/28/1116270028.db2.gz DINRTHRHKGOEGM-UHFFFAOYSA-N 1 0 359.451 4.067 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000152790076 1116332712 /nfs/dbraw/zinc/33/27/12/1116332712.db2.gz QGFXJAZHQBHTNT-JKSUJKDBSA-N 1 0 357.429 4.219 20 5 FIBDRO CCS[C@@H]1CCCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089897593 1116338941 /nfs/dbraw/zinc/33/89/41/1116338941.db2.gz VCPMTOHRKWSATD-QGZVFWFLSA-N 1 0 361.467 4.357 20 5 FIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000539654551 1116358966 /nfs/dbraw/zinc/35/89/66/1116358966.db2.gz IESHRJRILIYBIW-CYBMUJFWSA-N 1 0 373.840 4.244 20 5 FIBDRO CCOc1ccc([C@@H](C)Nc2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000539740287 1116373808 /nfs/dbraw/zinc/37/38/08/1116373808.db2.gz GKBZLFYIDWFLPE-OAHLLOKOSA-N 1 0 373.453 4.107 20 5 FIBDRO COc1cc2c(c(C[NH2+]CCCCc3ccc([N+](=O)[O-])cc3)c1)O[C@H](C)C2 ZINC000462760415 1117752501 /nfs/dbraw/zinc/75/25/01/1117752501.db2.gz JFQLONRHNQHLNG-OAHLLOKOSA-N 1 0 370.449 4.039 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000462814897 1117792491 /nfs/dbraw/zinc/79/24/91/1117792491.db2.gz QHYGFIBATUPKNY-CVEARBPZSA-N 1 0 357.429 4.219 20 5 FIBDRO Cc1cnc(NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000463052838 1117942180 /nfs/dbraw/zinc/94/21/80/1117942180.db2.gz IWEOHNLJZQITNB-INIZCTEOSA-N 1 0 354.454 4.285 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC000540424643 1118050534 /nfs/dbraw/zinc/05/05/34/1118050534.db2.gz URHSQFCMWDDFIA-LJQANCHMSA-N 1 0 373.428 4.358 20 5 FIBDRO COCc1cccc(OCC2(C[NH2+][C@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000540426264 1118050732 /nfs/dbraw/zinc/05/07/32/1118050732.db2.gz TWECQROJNBEECF-MRXNPFEDSA-N 1 0 370.449 4.251 20 5 FIBDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000540609474 1118148041 /nfs/dbraw/zinc/14/80/41/1118148041.db2.gz MFYDDUXBBRLJMS-AWEZNQCLSA-N 1 0 368.412 4.028 20 5 FIBDRO C[C@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000540789389 1118248194 /nfs/dbraw/zinc/24/81/94/1118248194.db2.gz PMIJMPCSZBSSJT-BBWFWOEESA-N 1 0 369.465 4.377 20 5 FIBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000595456107 1118278555 /nfs/dbraw/zinc/27/85/55/1118278555.db2.gz WBQVYEKLBRFCNS-UHFFFAOYSA-N 1 0 362.376 4.054 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000540866507 1118285458 /nfs/dbraw/zinc/28/54/58/1118285458.db2.gz VSLSOSTXJNULTG-KRWDZBQOSA-N 1 0 369.469 4.140 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CCc2nccs2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541544968 1118549846 /nfs/dbraw/zinc/54/98/46/1118549846.db2.gz BIBNDLYYKQLJSY-SFHVURJKSA-N 1 0 357.435 4.128 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)c([N+](=O)[O-])cc1F ZINC000464485439 1118579853 /nfs/dbraw/zinc/57/98/53/1118579853.db2.gz FUGHWFXEDBIMOX-CYBMUJFWSA-N 1 0 358.413 4.472 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCCCOc3ccccc3)CC2)cc1 ZINC000464776685 1118690766 /nfs/dbraw/zinc/69/07/66/1118690766.db2.gz NNSAUBBPRWUOSC-UHFFFAOYSA-N 1 0 370.449 4.297 20 5 FIBDRO COCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000090217472 1118711965 /nfs/dbraw/zinc/71/19/65/1118711965.db2.gz MQKAFGZJLIHZDV-HZPDHXFCSA-N 1 0 358.438 4.340 20 5 FIBDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCO2 ZINC000090217638 1118723248 /nfs/dbraw/zinc/72/32/48/1118723248.db2.gz FBCODIIVYIIGMJ-KDOFPFPSSA-N 1 0 356.422 4.476 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000464857596 1118726070 /nfs/dbraw/zinc/72/60/70/1118726070.db2.gz KRAXZGGXAPBMOK-KDOFPFPSSA-N 1 0 371.437 4.298 20 5 FIBDRO C[C@]1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO[C@H]1C1CC1 ZINC000542313682 1118898401 /nfs/dbraw/zinc/89/84/01/1118898401.db2.gz CXWUYBHNOOUATE-OALUTQOASA-N 1 0 358.463 4.371 20 5 FIBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000491841762 1118986555 /nfs/dbraw/zinc/98/65/55/1118986555.db2.gz CAXYKABYTZPEBP-CQSZACIVSA-N 1 0 370.840 4.263 20 5 FIBDRO COc1ccc(C[NH2+][C@H](C)c2cc(Br)cs2)cc1[N+](=O)[O-] ZINC000491962920 1118998951 /nfs/dbraw/zinc/99/89/51/1118998951.db2.gz XONCMBYDYGBYCT-SECBINFHSA-N 1 0 371.256 4.278 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3ccc(Cl)nc3)cs2)c1 ZINC000151896780 1119003523 /nfs/dbraw/zinc/00/35/23/1119003523.db2.gz FJUBWYVMNPRXAQ-UHFFFAOYSA-N 1 0 374.853 4.099 20 5 FIBDRO COc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc(Cl)c1OC ZINC000492226792 1119047899 /nfs/dbraw/zinc/04/78/99/1119047899.db2.gz PQVBDSQQSSLRGL-UHFFFAOYSA-N 1 0 364.829 4.290 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000492582039 1119136646 /nfs/dbraw/zinc/13/66/46/1119136646.db2.gz UZRRAYNHOKNHHM-AWEZNQCLSA-N 1 0 358.463 4.281 20 5 FIBDRO C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000090455650 1119161561 /nfs/dbraw/zinc/16/15/61/1119161561.db2.gz JDMMUBQJRCUZLF-TZMCWYRMSA-N 1 0 368.462 4.255 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000090455651 1119161663 /nfs/dbraw/zinc/16/16/63/1119161663.db2.gz JDMMUBQJRCUZLF-JSGCOSHPSA-N 1 0 368.462 4.255 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000492936291 1119217700 /nfs/dbraw/zinc/21/77/00/1119217700.db2.gz LDHBJMYLXUSBJY-NSHDSACASA-N 1 0 354.328 4.473 20 5 FIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CC2(CCO)CCCC2)c2ccccc2)c1 ZINC000493064371 1119274918 /nfs/dbraw/zinc/27/49/18/1119274918.db2.gz ZNEOVWIOVXGFTP-HXUWFJFHSA-N 1 0 354.450 4.217 20 5 FIBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000761524174 1119407268 /nfs/dbraw/zinc/40/72/68/1119407268.db2.gz WUYIQIZZAJZJCF-GOSISDBHSA-N 1 0 373.884 4.250 20 5 FIBDRO CCC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000493240668 1119431677 /nfs/dbraw/zinc/43/16/77/1119431677.db2.gz WLXFCBWRYBZCJN-JCURWCKSSA-N 1 0 352.862 4.274 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)c3ccsc3)s2)cc1 ZINC000152515470 1119433038 /nfs/dbraw/zinc/43/30/38/1119433038.db2.gz INVWPLCWYZTBPG-MRXNPFEDSA-N 1 0 360.460 4.208 20 5 FIBDRO CC(C)C[C@@H](CCO)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493246281 1119433617 /nfs/dbraw/zinc/43/36/17/1119433617.db2.gz HJHMLUXGXKPRBO-DYESRHJHSA-N 1 0 356.466 4.319 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000542483383 1119857173 /nfs/dbraw/zinc/85/71/73/1119857173.db2.gz YPVJNHXGNFAUDP-UHFFFAOYSA-N 1 0 374.238 4.171 20 5 FIBDRO COc1ccccc1C[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494497173 1119880737 /nfs/dbraw/zinc/88/07/37/1119880737.db2.gz RMODQCOEUBYPFT-GFCCVEGCSA-N 1 0 368.355 4.343 20 5 FIBDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494519556 1119887248 /nfs/dbraw/zinc/88/72/48/1119887248.db2.gz BRIZONRODYCQQP-PXAZEXFGSA-N 1 0 368.355 4.479 20 5 FIBDRO C[C@@H]1C[C@H](CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000542489148 1119971799 /nfs/dbraw/zinc/97/17/99/1119971799.db2.gz WXLVIEBRCDTFOH-CBGDNZLLSA-N 1 0 354.450 4.479 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@H](CO)CC2)ccc1Oc1ccc(F)cc1 ZINC000153114198 1119995919 /nfs/dbraw/zinc/99/59/19/1119995919.db2.gz GUCPTXBOPNFPSQ-KDYLLFBJSA-N 1 0 374.412 4.167 20 5 FIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)c1 ZINC000495085428 1120461503 /nfs/dbraw/zinc/46/15/03/1120461503.db2.gz OIRNCSOTWIMHDK-OXQOHEQNSA-N 1 0 358.413 4.034 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@H]2CCO)ccc1Oc1ccc(F)cc1 ZINC000495184709 1120532196 /nfs/dbraw/zinc/53/21/96/1120532196.db2.gz PNNFULMNSPVKFZ-YJBOKZPZSA-N 1 0 374.412 4.167 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@@H](c3ccccc3)C1)CCC2 ZINC000193292287 1120670539 /nfs/dbraw/zinc/67/05/39/1120670539.db2.gz UUMGJAQFAFLVSW-IOMROCGXSA-N 1 0 352.434 4.482 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@H](C)N(C)C)cc2[N+](=O)[O-])cc1 ZINC000609223282 1121013363 /nfs/dbraw/zinc/01/33/63/1121013363.db2.gz FCSJNNXISWVNQM-HNNXBMFYSA-N 1 0 359.495 4.094 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(OC3CCCC3)c2)cc1[N+](=O)[O-] ZINC000153349685 1121183597 /nfs/dbraw/zinc/18/35/97/1121183597.db2.gz NCPYQIGSIYSFAF-HNNXBMFYSA-N 1 0 355.438 4.470 20 5 FIBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)[NH+]2CCCC2)o1 ZINC000301152178 1121528975 /nfs/dbraw/zinc/52/89/75/1121528975.db2.gz PGKSSCHARFEDKJ-SFHVURJKSA-N 1 0 366.421 4.293 20 5 FIBDRO C[C@@H]([NH2+]Cc1cncc(OCc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000488158331 1121600877 /nfs/dbraw/zinc/60/08/77/1121600877.db2.gz FDULAFYQKRJIGV-MRXNPFEDSA-N 1 0 363.417 4.420 20 5 FIBDRO COc1cc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000301450349 1122027749 /nfs/dbraw/zinc/02/77/49/1122027749.db2.gz XDUICTQNRPQRJF-UGSOOPFHSA-N 1 0 361.467 4.160 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH+]2CCC(C3CCCCC3)CC2)c2c(c1)COCO2 ZINC000917059613 1122040032 /nfs/dbraw/zinc/04/00/32/1122040032.db2.gz LARJICHNDWGTIO-UHFFFAOYSA-N 1 0 360.454 4.254 20 5 FIBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000917082345 1122082247 /nfs/dbraw/zinc/08/22/47/1122082247.db2.gz QGLPCCVKSHJELP-VHSXEESVSA-N 1 0 363.767 4.306 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]CCCC(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000553508356 1122140050 /nfs/dbraw/zinc/14/00/50/1122140050.db2.gz VLBATIRYTTTXPQ-UHFFFAOYSA-N 1 0 358.316 4.296 20 5 FIBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301560064 1122219960 /nfs/dbraw/zinc/21/99/60/1122219960.db2.gz UJOJRTFYPFPQCS-SKDRFNHKSA-N 1 0 365.783 4.043 20 5 FIBDRO Cc1cc(NCc2csc([N+](=O)[O-])c2)ccc1OCC[NH+]1CCCC1 ZINC000130496130 1122220430 /nfs/dbraw/zinc/22/04/30/1122220430.db2.gz OVXPAPCFFKJWEO-UHFFFAOYSA-N 1 0 361.467 4.051 20 5 FIBDRO O=[N+]([O-])c1ccc(NC2CCC([NH+]3CCCCC3)CC2)c2ncccc12 ZINC000301563101 1122221712 /nfs/dbraw/zinc/22/17/12/1122221712.db2.gz VHWNKIBVTLXOFE-UHFFFAOYSA-N 1 0 354.454 4.352 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]CC2(c3ccccc3)CCOCC2)cc1[N+](=O)[O-] ZINC000153604380 1122236292 /nfs/dbraw/zinc/23/62/92/1122236292.db2.gz QBXCXTHRBDSPPF-QGZVFWFLSA-N 1 0 354.450 4.302 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CC2(c3ccccc3)CCOCC2)cc1[N+](=O)[O-] ZINC000153604463 1122237074 /nfs/dbraw/zinc/23/70/74/1122237074.db2.gz QBXCXTHRBDSPPF-KRWDZBQOSA-N 1 0 354.450 4.302 20 5 FIBDRO COc1ccc(-c2ccc(C[N@H+](C)CCC3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000129661053 1122660057 /nfs/dbraw/zinc/66/00/57/1122660057.db2.gz PNHJPWMLLNDNOV-UHFFFAOYSA-N 1 0 374.437 4.112 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000556119091 1122669713 /nfs/dbraw/zinc/66/97/13/1122669713.db2.gz ORJUNGUSBAPFCH-LDQXTDLNSA-N 1 0 353.466 4.389 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000556224282 1122744163 /nfs/dbraw/zinc/74/41/63/1122744163.db2.gz QCBWGNPHTNUUTF-UHFFFAOYSA-N 1 0 367.449 4.184 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H](O)C(F)(F)F ZINC000498380725 1122761217 /nfs/dbraw/zinc/76/12/17/1122761217.db2.gz NDGPOPCWGKYLFK-DZGCQCFKSA-N 1 0 374.384 4.115 20 5 FIBDRO CCC[C@@]1(COC)CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000194923928 1123011785 /nfs/dbraw/zinc/01/17/85/1123011785.db2.gz UVMAJMMISOCUQX-FQEVSTJZSA-N 1 0 373.453 4.073 20 5 FIBDRO COC(=O)c1csc([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000556884486 1123160947 /nfs/dbraw/zinc/16/09/47/1123160947.db2.gz FBUUBKBNQJBMMH-CYBMUJFWSA-N 1 0 362.451 4.116 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1)C(C)C ZINC000195272091 1123404245 /nfs/dbraw/zinc/40/42/45/1123404245.db2.gz QYXNOMCKFAKFDN-UHFFFAOYSA-N 1 0 369.465 4.097 20 5 FIBDRO O=C(NCCCCCCC[NH+]1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000920249589 1123419448 /nfs/dbraw/zinc/41/94/48/1123419448.db2.gz CWJQBQXTNDYBIZ-UHFFFAOYSA-N 1 0 367.877 4.024 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2c(Cl)cccc2OC(F)F)cc1 ZINC000609578348 1123757679 /nfs/dbraw/zinc/75/76/79/1123757679.db2.gz LYEGQJWVUQSRQX-UHFFFAOYSA-N 1 0 356.756 4.182 20 5 FIBDRO Cc1ccnc(NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000609669445 1123789552 /nfs/dbraw/zinc/78/95/52/1123789552.db2.gz JVSDCQNCDQXLOX-HNNXBMFYSA-N 1 0 360.483 4.245 20 5 FIBDRO Cc1ccc(-c2ncc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000609677604 1123794539 /nfs/dbraw/zinc/79/45/39/1123794539.db2.gz OMJXUZLEARKKBK-UHFFFAOYSA-N 1 0 353.447 4.359 20 5 FIBDRO COc1ccc(C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000064641733 1123889703 /nfs/dbraw/zinc/88/97/03/1123889703.db2.gz ZDGIHOAVURZMCI-INIZCTEOSA-N 1 0 370.449 4.283 20 5 FIBDRO C[C@@](CO)([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 ZINC000237654528 1124009950 /nfs/dbraw/zinc/00/99/50/1124009950.db2.gz FRMUGQOHENFIJD-FQEVSTJZSA-N 1 0 368.458 4.321 20 5 FIBDRO Cc1nn(C)c(C)c1CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237699665 1124027215 /nfs/dbraw/zinc/02/72/15/1124027215.db2.gz ARSISPGEUWOAJA-UHFFFAOYSA-N 1 0 370.478 4.006 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+][C@@H]2CCCOC2)cc1 ZINC000237773717 1124064300 /nfs/dbraw/zinc/06/43/00/1124064300.db2.gz XKFXQPSHYCELDE-OAHLLOKOSA-N 1 0 362.813 4.309 20 5 FIBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1 ZINC000765849371 1124192758 /nfs/dbraw/zinc/19/27/58/1124192758.db2.gz PRBBKFOAPVCEFX-SCLBCKFNSA-N 1 0 369.446 4.103 20 5 FIBDRO CC(C)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccc1 ZINC000428839618 1124526792 /nfs/dbraw/zinc/52/67/92/1124526792.db2.gz KPKYQHQYAJPBLK-MRXNPFEDSA-N 1 0 355.438 4.029 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301647946 1124805935 /nfs/dbraw/zinc/80/59/35/1124805935.db2.gz FDMCAGMRANHKHA-CQSZACIVSA-N 1 0 366.893 4.124 20 5 FIBDRO COc1cc(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000301654511 1124866917 /nfs/dbraw/zinc/86/69/17/1124866917.db2.gz UQMXDLKFVOBUQF-AWEZNQCLSA-N 1 0 373.428 4.380 20 5 FIBDRO O=[N+]([O-])c1cc(CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000311135138 1125111714 /nfs/dbraw/zinc/11/17/14/1125111714.db2.gz KFWHQUWOZGQWJV-QGZVFWFLSA-N 1 0 359.495 4.048 20 5 FIBDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618569860 1125208819 /nfs/dbraw/zinc/20/88/19/1125208819.db2.gz AYPSBTXFZSDQHT-MOPGFXCFSA-N 1 0 354.406 4.094 20 5 FIBDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618569863 1125208977 /nfs/dbraw/zinc/20/89/77/1125208977.db2.gz AYPSBTXFZSDQHT-RTBURBONSA-N 1 0 354.406 4.094 20 5 FIBDRO CC(C)(C)Oc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000618574034 1125212888 /nfs/dbraw/zinc/21/28/88/1125212888.db2.gz SDMHNELCUKTSMG-QZTJIDSGSA-N 1 0 372.469 4.242 20 5 FIBDRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255197749 1125221463 /nfs/dbraw/zinc/22/14/63/1125221463.db2.gz ASYUBDWHJKSHSX-HRJOPBDGSA-N 1 0 358.463 4.038 20 5 FIBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)ccc2c1 ZINC000312139475 1125273764 /nfs/dbraw/zinc/27/37/64/1125273764.db2.gz LMHDHINARCKCJV-GOSISDBHSA-N 1 0 362.433 4.220 20 5 FIBDRO CC(=O)c1ccc(NC2CCC([NH+]3CCC(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000301785080 1125276696 /nfs/dbraw/zinc/27/66/96/1125276696.db2.gz VLZAEYNXILHWFI-UHFFFAOYSA-N 1 0 359.470 4.252 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000182344853 1125425910 /nfs/dbraw/zinc/42/59/10/1125425910.db2.gz JFTPHBFXNSGKPB-OLZOCXBDSA-N 1 0 361.829 4.234 20 5 FIBDRO C[C@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000568131660 567911531 /nfs/dbraw/zinc/91/15/31/567911531.db2.gz MWBMHWJQLBGDIV-AWEZNQCLSA-N 1 0 372.494 4.313 20 5 FIBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302035183 568119787 /nfs/dbraw/zinc/11/97/87/568119787.db2.gz FGEZMSAMLZOEJO-OLZOCXBDSA-N 1 0 369.412 4.261 20 5 FIBDRO COc1ccc(C[NH2+]C2CC(F)(c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000481812228 568129007 /nfs/dbraw/zinc/12/90/07/568129007.db2.gz CMIGEVMGPBLXKM-UHFFFAOYSA-N 1 0 364.804 4.374 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2cccnc2)ccc1Oc1ccc(F)cc1 ZINC000128721696 568211294 /nfs/dbraw/zinc/21/12/94/568211294.db2.gz GIVKVHKZBVCDEH-UHFFFAOYSA-N 1 0 367.380 4.254 20 5 FIBDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000482015571 568230697 /nfs/dbraw/zinc/23/06/97/568230697.db2.gz ZDUDICMFOURJDD-QFBILLFUSA-N 1 0 357.454 4.292 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@@](C)(O)C3CC3)cc2[N+](=O)[O-])cc1 ZINC000482127151 568268491 /nfs/dbraw/zinc/26/84/91/568268491.db2.gz CANVJJAHPWYYJD-HXUWFJFHSA-N 1 0 372.490 4.305 20 5 FIBDRO COc1ccc(-c2ccc(C[NH+]3CCC(F)(F)CC3)o2)c([N+](=O)[O-])c1 ZINC000619434093 1125594653 /nfs/dbraw/zinc/59/46/53/1125594653.db2.gz GVCIZNYBRSACGW-UHFFFAOYSA-N 1 0 352.337 4.095 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000619531347 1125609022 /nfs/dbraw/zinc/60/90/22/1125609022.db2.gz QXDJHPDPOREKCC-GHTZIAJQSA-N 1 0 370.449 4.203 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000619531693 1125609100 /nfs/dbraw/zinc/60/91/00/1125609100.db2.gz YCDREHZXFAZCGT-OAHLLOKOSA-N 1 0 367.405 4.124 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000163111647 1125650000 /nfs/dbraw/zinc/65/00/00/1125650000.db2.gz KVYSZXQHQITBEX-IRXDYDNUSA-N 1 0 374.485 4.022 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000619722885 1125669951 /nfs/dbraw/zinc/66/99/51/1125669951.db2.gz PYWJBCZYFFEFIG-RDJZCZTQSA-N 1 0 354.454 4.068 20 5 FIBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000619783844 1125696396 /nfs/dbraw/zinc/69/63/96/1125696396.db2.gz LVKJPVGRODWGHU-FQEVSTJZSA-N 1 0 371.456 4.124 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)o2)cc1 ZINC000535809810 1079809691 /nfs/dbraw/zinc/80/96/91/1079809691.db2.gz JUXGRVNFKIFBJB-DLBZAZTESA-N 1 0 356.422 4.103 20 5 FIBDRO C[C@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[NH+]1CCCCC1 ZINC000608836023 1079841092 /nfs/dbraw/zinc/84/10/92/1079841092.db2.gz DBQRJVHAMVAGMX-MRXNPFEDSA-N 1 0 357.454 4.066 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000610210917 1079954909 /nfs/dbraw/zinc/95/49/09/1079954909.db2.gz BDESEIBOYOUEKL-UHFFFAOYSA-N 1 0 369.465 4.065 20 5 FIBDRO CCc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2COC)[NH+](C)C)cc1 ZINC000610211386 1079963538 /nfs/dbraw/zinc/96/35/38/1079963538.db2.gz SWWGRJMJHVPQGD-FQEVSTJZSA-N 1 0 357.454 4.018 20 5 FIBDRO Cc1c(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000157646606 1080051046 /nfs/dbraw/zinc/05/10/46/1080051046.db2.gz NXPABBGTCVAUAU-MRXNPFEDSA-N 1 0 373.497 4.020 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000118787571 1080056082 /nfs/dbraw/zinc/05/60/82/1080056082.db2.gz YKEIOUDSYVNRMJ-IRXDYDNUSA-N 1 0 374.485 4.022 20 5 FIBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000109407174 1080438672 /nfs/dbraw/zinc/43/86/72/1080438672.db2.gz BVZQDYOXHUBILL-KRWDZBQOSA-N 1 0 361.489 4.238 20 5 FIBDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC001167233156 1080881343 /nfs/dbraw/zinc/88/13/43/1080881343.db2.gz CTKFIKCVPPVWRB-INIZCTEOSA-N 1 0 360.841 4.464 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3C[C@H]3Cc3ccccc3)cs2)c1 ZINC000610271240 1080986512 /nfs/dbraw/zinc/98/65/12/1080986512.db2.gz SXAODFUBUQIGLV-APWZRJJASA-N 1 0 365.458 4.439 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)ccc1Oc1ccc(F)cc1 ZINC000610271086 1080995925 /nfs/dbraw/zinc/99/59/25/1080995925.db2.gz XVXYFSFFTIIJBU-WMLDXEAASA-N 1 0 374.412 4.167 20 5 FIBDRO CC(=O)c1ccc(N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610279263 1081134110 /nfs/dbraw/zinc/13/41/10/1081134110.db2.gz NVQWFDANQKMPBB-FQEVSTJZSA-N 1 0 367.449 4.437 20 5 FIBDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001167331820 1081451472 /nfs/dbraw/zinc/45/14/72/1081451472.db2.gz ATXLVVNPLRXNLZ-IBGZPJMESA-N 1 0 356.422 4.209 20 5 FIBDRO CC(=O)N1CCCCC[C@H]1C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000610369505 1081554102 /nfs/dbraw/zinc/55/41/02/1081554102.db2.gz FHXIORNRXUCVSY-UZLBHIALSA-N 1 0 373.497 4.159 20 5 FIBDRO CC[C@@H](C)[C@@H](C)[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC001167356323 1081617572 /nfs/dbraw/zinc/61/75/72/1081617572.db2.gz MCIKWTDSHBZCIQ-VXGBXAGGSA-N 1 0 353.850 4.086 20 5 FIBDRO Cc1c(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000379652730 1081842233 /nfs/dbraw/zinc/84/22/33/1081842233.db2.gz XUNUPXPIQXZDGJ-UZLBHIALSA-N 1 0 353.466 4.046 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)c1c(C)noc1C ZINC000536832015 1081945044 /nfs/dbraw/zinc/94/50/44/1081945044.db2.gz KHPPMLULOYDMAK-IUODEOHRSA-N 1 0 363.483 4.464 20 5 FIBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ncccc12 ZINC000380205117 1082100455 /nfs/dbraw/zinc/10/04/55/1082100455.db2.gz GRVXJIWNJWRBNH-QGZVFWFLSA-N 1 0 362.433 4.077 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H]2CCO[C@@H]2c2ccccc2)c1 ZINC000580727373 1082101305 /nfs/dbraw/zinc/10/13/05/1082101305.db2.gz KOWLUXJLZZODTO-IAGOWNOFSA-N 1 0 366.339 4.233 20 5 FIBDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@H]2CCO[C@@H]21 ZINC000610162147 1082163518 /nfs/dbraw/zinc/16/35/18/1082163518.db2.gz AUYNPDHXDDGEHJ-NXHRZFHOSA-N 1 0 358.463 4.226 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000510364547 1082297122 /nfs/dbraw/zinc/29/71/22/1082297122.db2.gz QCMHHYCXYKTSEC-POHAHGRESA-N 1 0 366.461 4.332 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1[N+](=O)[O-] ZINC000177937984 1082352494 /nfs/dbraw/zinc/35/24/94/1082352494.db2.gz UEBCEEPWWVSXAQ-SZNDQCEHSA-N 1 0 368.433 4.476 20 5 FIBDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581198889 1082367982 /nfs/dbraw/zinc/36/79/82/1082367982.db2.gz AIVFIXWEXZONGV-HXUWFJFHSA-N 1 0 362.433 4.174 20 5 FIBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001167464448 1082593662 /nfs/dbraw/zinc/59/36/62/1082593662.db2.gz MAFZDWSPNGDUFQ-YESZJQIVSA-N 1 0 367.449 4.108 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[C@@H](c3ccccc3)O1)CCC2 ZINC000581481658 1082614147 /nfs/dbraw/zinc/61/41/47/1082614147.db2.gz XZJFCQAXLUVVKM-NRSPTQNISA-N 1 0 352.434 4.482 20 5 FIBDRO Cc1cc(NCCc2cccc3cccnc32)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000891662687 1083000788 /nfs/dbraw/zinc/00/07/88/1083000788.db2.gz RBIAMDADNPEFQS-UHFFFAOYSA-N 1 0 358.401 4.076 20 5 FIBDRO CCC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178323994 1083181498 /nfs/dbraw/zinc/18/14/98/1083181498.db2.gz KAQJTCIKWVIXDV-MGPUTAFESA-N 1 0 365.437 4.368 20 5 FIBDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581560 1083206988 /nfs/dbraw/zinc/20/69/88/1083206988.db2.gz SRXLOHBYTYSRCO-GOSISDBHSA-N 1 0 367.405 4.254 20 5 FIBDRO CC(C)COC1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000510629231 1083207845 /nfs/dbraw/zinc/20/78/45/1083207845.db2.gz LEYQWGCFUWYURB-UHFFFAOYSA-N 1 0 358.438 4.492 20 5 FIBDRO COc1ccc(OC)c(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000520949064 1083357623 /nfs/dbraw/zinc/35/76/23/1083357623.db2.gz UCUQPXWGLJUQOH-UHFFFAOYSA-N 1 0 358.438 4.068 20 5 FIBDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4ccccc4[N+](=O)[O-])C3)nc2c1 ZINC000535666916 1083503815 /nfs/dbraw/zinc/50/38/15/1083503815.db2.gz VFRLVTXUSVMWDU-INIZCTEOSA-N 1 0 350.422 4.159 20 5 FIBDRO CC(C)[C@@H]1c2ccccc2CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000610788003 1083517896 /nfs/dbraw/zinc/51/78/96/1083517896.db2.gz DKPRPWRDHNKCNW-HXUWFJFHSA-N 1 0 368.433 4.217 20 5 FIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc2ccccc21 ZINC000179693326 1083608446 /nfs/dbraw/zinc/60/84/46/1083608446.db2.gz SFAGAFRMWHCULX-CQSZACIVSA-N 1 0 364.401 4.465 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000610813069 1083737019 /nfs/dbraw/zinc/73/70/19/1083737019.db2.gz YBUSWLWABYEPEE-DZGCQCFKSA-N 1 0 361.392 4.111 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H](Cc2nccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000610827835 1083743779 /nfs/dbraw/zinc/74/37/79/1083743779.db2.gz CSZYGYBBVZHJNN-QFBILLFUSA-N 1 0 364.449 4.271 20 5 FIBDRO Cc1c([C@H](C)[NH2+][C@@H](Cc2nccn2C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000610828043 1083745610 /nfs/dbraw/zinc/74/56/10/1083745610.db2.gz HVFSEWCBCGVQBS-LPHOPBHVSA-N 1 0 364.449 4.271 20 5 FIBDRO CC[C@@H]([NH2+]CCc1c[nH]c2ccc(OC)cc12)c1cccc([N+](=O)[O-])c1 ZINC000610817651 1083747688 /nfs/dbraw/zinc/74/76/88/1083747688.db2.gz CYPYUPBSTJWGFZ-LJQANCHMSA-N 1 0 353.422 4.368 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@H](Cn2cccn2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000610821895 1083748910 /nfs/dbraw/zinc/74/89/10/1083748910.db2.gz NWLYZKIQJHYUEO-VQIMIIECSA-N 1 0 350.422 4.192 20 5 FIBDRO Cc1noc(C[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277132257 1083772931 /nfs/dbraw/zinc/77/29/31/1083772931.db2.gz OQCCTHXXRSHEDV-KDOFPFPSSA-N 1 0 366.421 4.229 20 5 FIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458297405 1083829751 /nfs/dbraw/zinc/82/97/51/1083829751.db2.gz YTBRWWWKRBIKCE-UHFFFAOYSA-N 1 0 373.478 4.329 20 5 FIBDRO CC(=O)c1ccc(NC2CC[NH+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000065946457 1083833091 /nfs/dbraw/zinc/83/30/91/1083833091.db2.gz WPBILYJMAUQSLJ-UHFFFAOYSA-N 1 0 359.470 4.254 20 5 FIBDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000612469226 1083836939 /nfs/dbraw/zinc/83/69/39/1083836939.db2.gz DEARTHVLRAEDDP-INIZCTEOSA-N 1 0 357.385 4.232 20 5 FIBDRO O=C(CC[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000411790551 1083883304 /nfs/dbraw/zinc/88/33/04/1083883304.db2.gz NAKQVCYTWHUTFI-WFASDCNBSA-N 1 0 373.375 4.024 20 5 FIBDRO Cc1cc(C)n(CCC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000179995838 1083973620 /nfs/dbraw/zinc/97/36/20/1083973620.db2.gz JFAWSNJIERKBRR-OAQYLSRUSA-N 1 0 364.449 4.177 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000178479091 1083982729 /nfs/dbraw/zinc/98/27/29/1083982729.db2.gz XPYFUGBUJVFSKJ-WMLDXEAASA-N 1 0 356.422 4.476 20 5 FIBDRO CC[C@H]([NH2+][C@H](Cc1nc(C)no1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000277209852 1084020530 /nfs/dbraw/zinc/02/05/30/1084020530.db2.gz WLHPYQSAZKZYKN-RBUKOAKNSA-N 1 0 366.421 4.311 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCO[C@H]3C3CC3)o2)c(Cl)c1 ZINC000538421624 1084088746 /nfs/dbraw/zinc/08/87/46/1084088746.db2.gz PLBHWGCROPECOJ-AEFFLSMTSA-N 1 0 362.813 4.165 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCCn2ccnc2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000511019930 1084204018 /nfs/dbraw/zinc/20/40/18/1084204018.db2.gz UTVQMPKLFSVWAG-HXUWFJFHSA-N 1 0 368.437 4.024 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000539055848 1084298877 /nfs/dbraw/zinc/29/88/77/1084298877.db2.gz LNVAFFIYYYWNDV-UZLBHIALSA-N 1 0 356.466 4.356 20 5 FIBDRO Cc1cc(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000071952691 1084368190 /nfs/dbraw/zinc/36/81/90/1084368190.db2.gz MSWUBSLFHVIREQ-IRXDYDNUSA-N 1 0 369.465 4.125 20 5 FIBDRO COCC[C@@H](COC)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000580205354 1084396613 /nfs/dbraw/zinc/39/66/13/1084396613.db2.gz CBJIITZZXQJBOZ-KGLIPLIRSA-N 1 0 364.467 4.025 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)C(C)(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000539255001 1084443127 /nfs/dbraw/zinc/44/31/27/1084443127.db2.gz HARANFVPTXOCKK-INIZCTEOSA-N 1 0 369.465 4.188 20 5 FIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000580727375 1084456180 /nfs/dbraw/zinc/45/61/80/1084456180.db2.gz KOWLUXJLZZODTO-SJORKVTESA-N 1 0 366.339 4.233 20 5 FIBDRO COc1ccc([C@H](C[NH+](C)C)NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000551226112 1084577655 /nfs/dbraw/zinc/57/76/55/1084577655.db2.gz DXIYZBWFRWELQZ-FQEVSTJZSA-N 1 0 371.481 4.119 20 5 FIBDRO CCc1ccc([C@H]([NH2+]CCC2(OC)CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000551244348 1084583611 /nfs/dbraw/zinc/58/36/11/1084583611.db2.gz XNJAALFJGZTENU-LJQANCHMSA-N 1 0 358.438 4.388 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000551723447 1084705322 /nfs/dbraw/zinc/70/53/22/1084705322.db2.gz MMSVBSCZSKUBDK-UHFFFAOYSA-N 1 0 361.829 4.020 20 5 FIBDRO C[C@H](CCO)C1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000540609279 1084849239 /nfs/dbraw/zinc/84/92/39/1084849239.db2.gz ZZKROTPOFGZTBP-ZHALLVOQSA-N 1 0 360.498 4.084 20 5 FIBDRO C[C@H](c1cccs1)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000478426344 1084950815 /nfs/dbraw/zinc/95/08/15/1084950815.db2.gz JQLOXPMYAXWKAA-OAHLLOKOSA-N 1 0 356.451 4.116 20 5 FIBDRO C[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000158206936 1084952155 /nfs/dbraw/zinc/95/21/55/1084952155.db2.gz PFGZJLQVDQGZQA-AWEZNQCLSA-N 1 0 370.478 4.340 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@@H]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000414291198 1084976454 /nfs/dbraw/zinc/97/64/54/1084976454.db2.gz AUVCRLRMSNTXAV-RCCFBDPRSA-N 1 0 356.470 4.222 20 5 FIBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCc2ccccc21 ZINC000170908230 1084979366 /nfs/dbraw/zinc/97/93/66/1084979366.db2.gz NXSHGZKZUVRAKO-LJQANCHMSA-N 1 0 363.417 4.412 20 5 FIBDRO Cc1ccn(-c2ccccc2C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000127637833 1084980127 /nfs/dbraw/zinc/98/01/27/1084980127.db2.gz JNUBAEVSTJCBHW-INIZCTEOSA-N 1 0 350.422 4.248 20 5 FIBDRO COCC1CCC([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000414311300 1085026114 /nfs/dbraw/zinc/02/61/14/1085026114.db2.gz MICYOPOZVYARSA-VFIGECHUSA-N 1 0 354.450 4.479 20 5 FIBDRO CC(C)(C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000414331587 1085074887 /nfs/dbraw/zinc/07/48/87/1085074887.db2.gz KIHHXPRMDZEZCV-QFBILLFUSA-N 1 0 353.466 4.268 20 5 FIBDRO CC[C@@H]([NH2+][C@H]1CCc2cc(OC)c(OC)cc21)c1cccc([N+](=O)[O-])c1 ZINC000479071338 1085076686 /nfs/dbraw/zinc/07/66/86/1085076686.db2.gz RCXXPPKMRQVDAN-MSOLQXFVSA-N 1 0 356.422 4.340 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC=C(c4ccco4)C3)o2)c1 ZINC000511142410 1085079742 /nfs/dbraw/zinc/07/97/42/1085079742.db2.gz OFHXOVVWJLNRGT-UHFFFAOYSA-N 1 0 365.389 4.175 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CCc2cn[nH]c2)cc1 ZINC000562082013 1085101160 /nfs/dbraw/zinc/10/11/60/1085101160.db2.gz BPDSFBQIOGBWSF-UHFFFAOYSA-N 1 0 372.812 4.096 20 5 FIBDRO CCC[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000479871012 1085326946 /nfs/dbraw/zinc/32/69/46/1085326946.db2.gz FAQLRCYVSIXZCG-RBUKOAKNSA-N 1 0 357.454 4.456 20 5 FIBDRO CCCn1ccnc1CCC[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000582692530 1085394032 /nfs/dbraw/zinc/39/40/32/1085394032.db2.gz BELFPMRGAGYJQE-UHFFFAOYSA-N 1 0 358.486 4.389 20 5 FIBDRO CCOc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000178647020 1085565993 /nfs/dbraw/zinc/56/59/93/1085565993.db2.gz REVDNQHTZDWISB-GFCCVEGCSA-N 1 0 366.364 4.446 20 5 FIBDRO C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178656927 1085682724 /nfs/dbraw/zinc/68/27/24/1085682724.db2.gz JHGGDSXWLBDKIP-SJORKVTESA-N 1 0 353.466 4.471 20 5 FIBDRO COc1cc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000078338370 1085712525 /nfs/dbraw/zinc/71/25/25/1085712525.db2.gz XDUICTQNRPQRJF-SCLBCKFNSA-N 1 0 361.467 4.160 20 5 FIBDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000178690642 1085816701 /nfs/dbraw/zinc/81/67/01/1085816701.db2.gz GQUUFXPJEGYDRY-ZIAGYGMSSA-N 1 0 359.401 4.029 20 5 FIBDRO COc1ccc([C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccco2)cc1 ZINC000612409589 1085857522 /nfs/dbraw/zinc/85/75/22/1085857522.db2.gz FMNADERBIIVEQW-HXUWFJFHSA-N 1 0 352.390 4.118 20 5 FIBDRO C[C@@H](c1cccc(O)c1)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000112599078 1085943219 /nfs/dbraw/zinc/94/32/19/1085943219.db2.gz DZYLXLOCNXDPGS-AWEZNQCLSA-N 1 0 367.405 4.191 20 5 FIBDRO CC[NH+](CC)CCN(Cc1cccs1)Cc1cccc([N+](=O)[O-])c1C ZINC001167658434 1086382696 /nfs/dbraw/zinc/38/26/96/1086382696.db2.gz GTYYUWFDHPCVSD-UHFFFAOYSA-N 1 0 361.511 4.309 20 5 FIBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001167799442 1086430731 /nfs/dbraw/zinc/43/07/31/1086430731.db2.gz ZNUXSCVFMIAPKH-IUODEOHRSA-N 1 0 353.850 4.087 20 5 FIBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052212656 1086451351 /nfs/dbraw/zinc/45/13/51/1086451351.db2.gz CNDAKQILZNSJCK-LJQANCHMSA-N 1 0 354.406 4.107 20 5 FIBDRO C/C(=C/c1nc(-c2ccc(C[NH+](C)C)cc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000544046370 1086521145 /nfs/dbraw/zinc/52/11/45/1086521145.db2.gz VVKKZBWNTLGWLH-OWBHPGMISA-N 1 0 364.405 4.267 20 5 FIBDRO O=[N+]([O-])c1cccc2c(NCc3ccc(-n4ccnc4)c(F)c3)ccnc21 ZINC000432317873 1086532017 /nfs/dbraw/zinc/53/20/17/1086532017.db2.gz MRTFUFOFPLPTBX-UHFFFAOYSA-N 1 0 363.352 4.080 20 5 FIBDRO CC[N@H+](Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC)cc1)C(C)C ZINC000583323905 1086560843 /nfs/dbraw/zinc/56/08/43/1086560843.db2.gz GEAQOEAWZCSNCA-UHFFFAOYSA-N 1 0 370.453 4.119 20 5 FIBDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000480161942 1086637789 /nfs/dbraw/zinc/63/77/89/1086637789.db2.gz KKSYWZDLVWBOII-NSHDSACASA-N 1 0 352.337 4.056 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)CCCOC4)s2)cc1 ZINC000585767996 1086694359 /nfs/dbraw/zinc/69/43/59/1086694359.db2.gz QEYDGPOESNMCMC-IBGZPJMESA-N 1 0 358.463 4.326 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2CC(c3ccccc3)C2)n1 ZINC000549626361 1086745180 /nfs/dbraw/zinc/74/51/80/1086745180.db2.gz QQVHZGXGUBJISJ-AWRGBYNESA-N 1 0 354.454 4.058 20 5 FIBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(NC(N)=O)cc1 ZINC000279122913 1086814489 /nfs/dbraw/zinc/81/44/89/1086814489.db2.gz QFXURQGPNXSPPZ-XIKOKIGWSA-N 1 0 368.437 4.159 20 5 FIBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000583757470 1086949217 /nfs/dbraw/zinc/94/92/17/1086949217.db2.gz RXJPZRXVTMTXAV-OAHLLOKOSA-N 1 0 371.485 4.106 20 5 FIBDRO Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000162140806 1087253689 /nfs/dbraw/zinc/25/36/89/1087253689.db2.gz ATPASUDLNVXREF-MRVPVSSYSA-N 1 0 370.272 4.281 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000255590229 1087340962 /nfs/dbraw/zinc/34/09/62/1087340962.db2.gz YIZUYRVSFQQQOV-OMUFJYGLSA-N 1 0 370.424 4.193 20 5 FIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000708576779 1087594863 /nfs/dbraw/zinc/59/48/63/1087594863.db2.gz INBGQUZVWCOONE-GDBMZVCRSA-N 1 0 359.857 4.428 20 5 FIBDRO Cc1cc(C)n(-c2ccc(CC[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000480606893 1087623961 /nfs/dbraw/zinc/62/39/61/1087623961.db2.gz ISRJRZAGTAXVPA-QGZVFWFLSA-N 1 0 364.449 4.291 20 5 FIBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000451943600 1087734881 /nfs/dbraw/zinc/73/48/81/1087734881.db2.gz KBNKOHZZVMDHNX-UHFFFAOYSA-N 1 0 360.841 4.130 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CC34CC4)o2)c(Br)c1 ZINC000424187360 1087831458 /nfs/dbraw/zinc/83/14/58/1087831458.db2.gz VLBOKPXTXQNJMJ-OAHLLOKOSA-N 1 0 363.211 4.259 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2c1cccc2O ZINC000504899408 1087955838 /nfs/dbraw/zinc/95/58/38/1087955838.db2.gz GEKTXKIGZXEYSY-CZUORRHYSA-N 1 0 358.463 4.448 20 5 FIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000504895176 1087968877 /nfs/dbraw/zinc/96/88/77/1087968877.db2.gz RDPQNXPALBGEIB-HOTGVXAUSA-N 1 0 363.527 4.072 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000504899525 1087970577 /nfs/dbraw/zinc/97/05/77/1087970577.db2.gz IEWMDHKDNRORGS-GMBSWORKSA-N 1 0 364.486 4.485 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000504899367 1087972089 /nfs/dbraw/zinc/97/20/89/1087972089.db2.gz FODUSJMBBVGLMS-HNNXBMFYSA-N 1 0 365.433 4.435 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3ccnc3)c2)cc1[N+](=O)[O-] ZINC000504922226 1087974821 /nfs/dbraw/zinc/97/48/21/1087974821.db2.gz ZKEJZRNNIGDTPU-OAHLLOKOSA-N 1 0 366.421 4.030 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000504917207 1087984322 /nfs/dbraw/zinc/98/43/22/1087984322.db2.gz BKVWSRUOKXGPJR-GDBMZVCRSA-N 1 0 356.422 4.210 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccc(OC)c(F)c2)cc1[N+](=O)[O-] ZINC000504931319 1087997835 /nfs/dbraw/zinc/99/78/35/1087997835.db2.gz XFHSDZYKPZRUCF-ZDUSSCGKSA-N 1 0 362.401 4.035 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2noc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000504969838 1088014920 /nfs/dbraw/zinc/01/49/20/1088014920.db2.gz SKIBHDPTFZUNGD-QGZVFWFLSA-N 1 0 364.405 4.024 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2noc(C3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000504980899 1088023749 /nfs/dbraw/zinc/02/37/49/1088023749.db2.gz MPWFVJKWIQLVSM-UHFFFAOYSA-N 1 0 364.405 4.024 20 5 FIBDRO CC1(C)CC(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC(C)(C)[NH2+]1 ZINC000236739242 1088226957 /nfs/dbraw/zinc/22/69/57/1088226957.db2.gz JUXQEWPVJIEOEP-UHFFFAOYSA-N 1 0 357.454 4.254 20 5 FIBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000181299478 1088299257 /nfs/dbraw/zinc/29/92/57/1088299257.db2.gz VGCHRIPICCNEGE-YCRPNKLZSA-N 1 0 363.417 4.041 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@H](CCO)c1ccccc1 ZINC000513828138 1088427895 /nfs/dbraw/zinc/42/78/95/1088427895.db2.gz DGOQWOPKCNAETA-MISYRCLQSA-N 1 0 354.450 4.019 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000311254154 1088442400 /nfs/dbraw/zinc/44/24/00/1088442400.db2.gz LMVNHFUBBYDEKT-CWRNSKLLSA-N 1 0 363.458 4.081 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCCO[C@H](CF)C3)o2)c(Cl)c1 ZINC000414475616 1088690614 /nfs/dbraw/zinc/69/06/14/1088690614.db2.gz HJTVOHKWECDARF-CQSZACIVSA-N 1 0 368.792 4.069 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@H](CO)C3)o2)c(Cl)c1 ZINC000414581239 1088836171 /nfs/dbraw/zinc/83/61/71/1088836171.db2.gz QXRNJYGARFMRTL-STQMWFEESA-N 1 0 364.829 4.149 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H](c1ccc(F)cc1)C(C)C ZINC000434623076 1088844477 /nfs/dbraw/zinc/84/44/77/1088844477.db2.gz JMNZWKWZLNCIEB-FQEVSTJZSA-N 1 0 373.428 4.310 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000181530409 1088925182 /nfs/dbraw/zinc/92/51/82/1088925182.db2.gz KFVLJLXCMZACRJ-CVEARBPZSA-N 1 0 355.438 4.014 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(Cc4ccccc4)CC3)nc2c1 ZINC000434835523 1089065105 /nfs/dbraw/zinc/06/51/05/1089065105.db2.gz CZKDQHYRKVDSQJ-UHFFFAOYSA-N 1 0 351.406 4.191 20 5 FIBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000434901353 1089118987 /nfs/dbraw/zinc/11/89/87/1089118987.db2.gz VDGKKKVSTCGSAF-SJLPKXTDSA-N 1 0 367.449 4.110 20 5 FIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000435032235 1089229731 /nfs/dbraw/zinc/22/97/31/1089229731.db2.gz FEBHPSHNVGTYAH-YWZLYKJASA-N 1 0 369.465 4.413 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000435054677 1089242702 /nfs/dbraw/zinc/24/27/02/1089242702.db2.gz FAZBZEOHYQBJSN-ALCCZGGFSA-N 1 0 366.465 4.020 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCc4ccccc4C3)cs2)c1 ZINC000435235856 1089444717 /nfs/dbraw/zinc/44/47/17/1089444717.db2.gz GGULKPARKNJWLM-UHFFFAOYSA-N 1 0 351.431 4.277 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000514894151 1089568495 /nfs/dbraw/zinc/56/84/95/1089568495.db2.gz OVNRPDPMSIRTQU-QWHCGFSZSA-N 1 0 368.462 4.255 20 5 FIBDRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000412280986 1089871162 /nfs/dbraw/zinc/87/11/62/1089871162.db2.gz NGMIXDQZUGYYEP-VQTJNVASSA-N 1 0 367.449 4.179 20 5 FIBDRO CC[NH2+]Cc1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000415903448 1089986572 /nfs/dbraw/zinc/98/65/72/1089986572.db2.gz DZKHJTUDNVSMBF-UHFFFAOYSA-N 1 0 370.453 4.147 20 5 FIBDRO Cn1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C2CCCCC2)n1 ZINC000549411114 1090269742 /nfs/dbraw/zinc/26/97/42/1090269742.db2.gz WIIZQUTZRQZPIR-UHFFFAOYSA-N 1 0 356.470 4.051 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCc1c[nH]c2ccccc12 ZINC000236843521 1090519828 /nfs/dbraw/zinc/51/98/28/1090519828.db2.gz UPOPGFJOJBHBFB-UHFFFAOYSA-N 1 0 353.422 4.197 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccn(-c3ccccc3)n1)CCCC2 ZINC000417340017 1090820310 /nfs/dbraw/zinc/82/03/10/1090820310.db2.gz LRQSTLAAHITFOE-NRFANRHFSA-N 1 0 362.433 4.338 20 5 FIBDRO COc1ncc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000417349151 1090828252 /nfs/dbraw/zinc/82/82/52/1090828252.db2.gz KLWITVKMZWROPI-KRWDZBQOSA-N 1 0 361.829 4.209 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@H](c3ccncc3)C1)CCCC2 ZINC000417350186 1090830570 /nfs/dbraw/zinc/83/05/70/1090830570.db2.gz ORVAAMFMSMOAIR-WMQCIHAUSA-N 1 0 367.449 4.267 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000511628228 1090890909 /nfs/dbraw/zinc/89/09/09/1090890909.db2.gz XZGFHJUSPVYLNN-SFHVURJKSA-N 1 0 373.840 4.332 20 5 FIBDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500119715 1091051768 /nfs/dbraw/zinc/05/17/68/1091051768.db2.gz AHNOCBSTDMBEJI-IRXDYDNUSA-N 1 0 367.449 4.110 20 5 FIBDRO COc1cccc(C2(F)CC[NH+](Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)c1 ZINC000500166120 1091078560 /nfs/dbraw/zinc/07/85/60/1091078560.db2.gz IECQLXHGODVPBF-UHFFFAOYSA-N 1 0 374.412 4.073 20 5 FIBDRO CC1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCOCC1 ZINC000500241509 1091138789 /nfs/dbraw/zinc/13/87/89/1091138789.db2.gz ITZSJZKDMBSMMF-UHFFFAOYSA-N 1 0 374.412 4.433 20 5 FIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000123554633 1091182341 /nfs/dbraw/zinc/18/23/41/1091182341.db2.gz JKDLZHOQWFEFJP-LBPRGKRZSA-N 1 0 372.812 4.192 20 5 FIBDRO Cc1ccccc1C[C@H](C)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000584569562 1091286759 /nfs/dbraw/zinc/28/67/59/1091286759.db2.gz MYUKYPXHNGDJSU-INIZCTEOSA-N 1 0 369.465 4.103 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c(Cl)c1 ZINC000511764956 1091649620 /nfs/dbraw/zinc/64/96/20/1091649620.db2.gz KGZYDFJGWBDDSD-QWFCFKBJSA-N 1 0 372.852 4.253 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC[C@@H]2CCCO2)c1 ZINC000124286819 1091747506 /nfs/dbraw/zinc/74/75/06/1091747506.db2.gz JGSGLOMXPUQTTM-JXFKEZNVSA-N 1 0 370.449 4.312 20 5 FIBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(Sc3ccccn3)o2)c1 ZINC000511828865 1091762741 /nfs/dbraw/zinc/76/27/41/1091762741.db2.gz ZUGUNOIVIFWUFU-UHFFFAOYSA-N 1 0 355.419 4.066 20 5 FIBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000178564395 1091994427 /nfs/dbraw/zinc/99/44/27/1091994427.db2.gz HXMZAGPUIWJCNL-QLJPJBMISA-N 1 0 355.221 4.286 20 5 FIBDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000236867666 1092093279 /nfs/dbraw/zinc/09/32/79/1092093279.db2.gz IETOSTLSGSSGTM-ACJLOTCBSA-N 1 0 362.401 4.023 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000500462638 1092104449 /nfs/dbraw/zinc/10/44/49/1092104449.db2.gz QXZGHLIWMRNCMU-IBGZPJMESA-N 1 0 360.841 4.048 20 5 FIBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000508315654 1092240534 /nfs/dbraw/zinc/24/05/34/1092240534.db2.gz VQKVQPRSJJVXQY-SJORKVTESA-N 1 0 361.489 4.238 20 5 FIBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000500771237 1092547425 /nfs/dbraw/zinc/54/74/25/1092547425.db2.gz VDUAATCTZVVGPV-HNNXBMFYSA-N 1 0 353.422 4.079 20 5 FIBDRO Cc1cccc(CCC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000512526091 1092647428 /nfs/dbraw/zinc/64/74/28/1092647428.db2.gz CIBWEYNXDZQPHE-UHFFFAOYSA-N 1 0 368.462 4.144 20 5 FIBDRO C[C@H]([NH2+]C1(Cc2ccc(F)cc2)CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000549797513 1092782333 /nfs/dbraw/zinc/78/23/33/1092782333.db2.gz OAOYURUMKBFNON-HNNXBMFYSA-N 1 0 358.413 4.176 20 5 FIBDRO CCOC(=O)C1CCC([N@H+](CC)C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000549825583 1092858590 /nfs/dbraw/zinc/85/85/90/1092858590.db2.gz SRSNHSHHFVBUQO-DTQAZKPQSA-N 1 0 374.481 4.442 20 5 FIBDRO Cc1ccc(OCC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000521822710 1092940368 /nfs/dbraw/zinc/94/03/68/1092940368.db2.gz HNZOCZRSOHPERX-UHFFFAOYSA-N 1 0 352.390 4.332 20 5 FIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(-c2ccncc2)cc1F ZINC000521889420 1092966902 /nfs/dbraw/zinc/96/69/02/1092966902.db2.gz SRSKLBVRVMCFQG-UHFFFAOYSA-N 1 0 365.408 4.470 20 5 FIBDRO C[NH+](C)[C@H]1CCOc2c(Nc3ccc([N+](=O)[O-])c4cnccc34)cccc21 ZINC000432940320 1092974408 /nfs/dbraw/zinc/97/44/08/1092974408.db2.gz UQTWOWOGSLZILN-SFHVURJKSA-N 1 0 364.405 4.272 20 5 FIBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000433063849 1093172903 /nfs/dbraw/zinc/17/29/03/1093172903.db2.gz ZKJOABHHUIAFFD-FUHWJXTLSA-N 1 0 367.449 4.110 20 5 FIBDRO CCN(CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CCC(F)(F)F ZINC000433077548 1093205682 /nfs/dbraw/zinc/20/56/82/1093205682.db2.gz RXNYIAPYSVLUMZ-MRXNPFEDSA-N 1 0 373.419 4.181 20 5 FIBDRO Cc1c([C@H](C)[NH2+]CC2(CO)CC(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000433099265 1093242499 /nfs/dbraw/zinc/24/24/99/1093242499.db2.gz HZCYJNCODCKOPM-AFJQURTJSA-N 1 0 354.450 4.110 20 5 FIBDRO Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433160705 1093347458 /nfs/dbraw/zinc/34/74/58/1093347458.db2.gz IBFGNPDQWJEROD-LJQANCHMSA-N 1 0 364.449 4.265 20 5 FIBDRO CC1(C)C[C@H]([NH2+]CCCCNc2ccccn2)c2cc([N+](=O)[O-])ccc21 ZINC000433167782 1093365354 /nfs/dbraw/zinc/36/53/54/1093365354.db2.gz JYRBBDFUNMULJO-SFHVURJKSA-N 1 0 354.454 4.194 20 5 FIBDRO CC(C)c1noc(CCC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000433177860 1093389997 /nfs/dbraw/zinc/38/99/97/1093389997.db2.gz QZAJHNQXAIIXQC-INIZCTEOSA-N 1 0 358.442 4.046 20 5 FIBDRO C[NH+](C)[C@@H]1CCOc2c(NCc3ccc([N+](=O)[O-])cc3Cl)cccc21 ZINC000433199763 1093408428 /nfs/dbraw/zinc/40/84/28/1093408428.db2.gz DYCPOQBZIVZMIV-QGZVFWFLSA-N 1 0 361.829 4.246 20 5 FIBDRO COCC[C@H](Cc1ccco1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433226639 1093450710 /nfs/dbraw/zinc/45/07/10/1093450710.db2.gz HMUFSXWLEUUNAO-AUUYWEPGSA-N 1 0 358.438 4.148 20 5 FIBDRO CC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000512855747 1093455792 /nfs/dbraw/zinc/45/57/92/1093455792.db2.gz JLZDCAHPUJLACC-KMDWOBIYSA-N 1 0 356.422 4.366 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)cc1 ZINC000522383560 1093463080 /nfs/dbraw/zinc/46/30/80/1093463080.db2.gz CUKKAAQZKLWSBC-UHFFFAOYSA-N 1 0 358.344 4.465 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000512890678 1093511554 /nfs/dbraw/zinc/51/15/54/1093511554.db2.gz LGSSUJIVXCWKOL-GOSISDBHSA-N 1 0 368.462 4.298 20 5 FIBDRO Cc1noc(C2CCC([NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000433282438 1093524788 /nfs/dbraw/zinc/52/47/88/1093524788.db2.gz AVRYDHUYMPOPBX-JRSKDTKFSA-N 1 0 370.453 4.325 20 5 FIBDRO Cc1cc(CC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)on1 ZINC000512971472 1093609386 /nfs/dbraw/zinc/60/93/86/1093609386.db2.gz GUARHJSEFWWFOJ-UHFFFAOYSA-N 1 0 371.368 4.155 20 5 FIBDRO COc1ccc(C[NH2+]CC2CCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237335556 1093720258 /nfs/dbraw/zinc/72/02/58/1093720258.db2.gz LCXIJEWHJRQWBU-UHFFFAOYSA-N 1 0 356.422 4.072 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000178869455 1093972672 /nfs/dbraw/zinc/97/26/72/1093972672.db2.gz MVFVXXIWXZYKRT-SFTDATJTSA-N 1 0 366.392 4.147 20 5 FIBDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000513256246 1094039319 /nfs/dbraw/zinc/03/93/19/1094039319.db2.gz KQNPVTOAACKDIR-KBXCAEBGSA-N 1 0 364.405 4.228 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000513440869 1094127323 /nfs/dbraw/zinc/12/73/23/1094127323.db2.gz YLELTWYYFXKICZ-GPCFVJJQSA-N 1 0 352.390 4.174 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000115895727 1094289858 /nfs/dbraw/zinc/28/98/58/1094289858.db2.gz PYVRQAQIIFRFTG-QGZVFWFLSA-N 1 0 361.489 4.382 20 5 FIBDRO C[C@@H](N[C@@H](C)c1ccc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000280187057 1094300962 /nfs/dbraw/zinc/30/09/62/1094300962.db2.gz SAOOCJATJXHQGI-MNOVXSKESA-N 1 0 350.216 4.164 20 5 FIBDRO CC(C)CC1(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000513698189 1094361557 /nfs/dbraw/zinc/36/15/57/1094361557.db2.gz XLQMLRWDRWXVHG-GOSISDBHSA-N 1 0 356.470 4.224 20 5 FIBDRO CC[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513701992 1094386291 /nfs/dbraw/zinc/38/62/91/1094386291.db2.gz CGPDUCPESPWDPF-OXQOHEQNSA-N 1 0 364.449 4.201 20 5 FIBDRO Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000183200905 1094411280 /nfs/dbraw/zinc/41/12/80/1094411280.db2.gz VAVQFWMAJAAQCR-MRXNPFEDSA-N 1 0 350.422 4.248 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000474628446 1094467027 /nfs/dbraw/zinc/46/70/27/1094467027.db2.gz SSRDCQQABWIEHG-XGNXJENSSA-N 1 0 360.376 4.450 20 5 FIBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)cc1 ZINC000501114063 1094514593 /nfs/dbraw/zinc/51/45/93/1094514593.db2.gz VKRYDEJHTPQTBP-UHFFFAOYSA-N 1 0 361.829 4.099 20 5 FIBDRO Cc1cccc([C@@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237389118 1094522040 /nfs/dbraw/zinc/52/20/40/1094522040.db2.gz HBJFEXJPTILBDN-INIZCTEOSA-N 1 0 364.449 4.197 20 5 FIBDRO CCC[C@H](O)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237042680 1094624436 /nfs/dbraw/zinc/62/44/36/1094624436.db2.gz CSXXXEPDWHBEEL-AWEZNQCLSA-N 1 0 364.829 4.291 20 5 FIBDRO C[C@@H](Nc1nccc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000413252036 1094802815 /nfs/dbraw/zinc/80/28/15/1094802815.db2.gz YLGPJRSFTJMAFD-ZBFHGGJFSA-N 1 0 354.454 4.208 20 5 FIBDRO C[C@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501845378 1094959656 /nfs/dbraw/zinc/95/96/56/1094959656.db2.gz WXJZFNOCGLKQDG-FUHWJXTLSA-N 1 0 367.449 4.192 20 5 FIBDRO COc1cc(C)c(C[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000502254853 1095272828 /nfs/dbraw/zinc/27/28/28/1095272828.db2.gz WRGJACYNWBURNZ-CABCVRRESA-N 1 0 358.438 4.202 20 5 FIBDRO COC[C@@H](C)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237167412 1095364894 /nfs/dbraw/zinc/36/48/94/1095364894.db2.gz PBOLXFDLUNKDAT-GFCCVEGCSA-N 1 0 350.802 4.165 20 5 FIBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000237167317 1095365639 /nfs/dbraw/zinc/36/56/39/1095365639.db2.gz XPCABIOUMGHBAA-LLVKDONJSA-N 1 0 365.227 4.217 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCC23CCOCC3)cc(C(F)(F)F)c1 ZINC000502438759 1095478710 /nfs/dbraw/zinc/47/87/10/1095478710.db2.gz VNKIGZSNEQTCCL-OAHLLOKOSA-N 1 0 358.360 4.053 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000502580157 1095610756 /nfs/dbraw/zinc/61/07/56/1095610756.db2.gz GTDKGMVTVCUFJS-FQEVSTJZSA-N 1 0 373.428 4.358 20 5 FIBDRO COCCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cc1 ZINC000281884585 1095734258 /nfs/dbraw/zinc/73/42/58/1095734258.db2.gz GMDTWXUFDNTPEW-GOSISDBHSA-N 1 0 362.401 4.000 20 5 FIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503380181 1096379556 /nfs/dbraw/zinc/37/95/56/1096379556.db2.gz YJOWPSWKMXSVML-INIZCTEOSA-N 1 0 351.450 4.183 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503380182 1096379845 /nfs/dbraw/zinc/37/98/45/1096379845.db2.gz YJOWPSWKMXSVML-MRXNPFEDSA-N 1 0 351.450 4.183 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423450753 1096680486 /nfs/dbraw/zinc/68/04/86/1096680486.db2.gz XMDAWZSJVXRWAS-GUYCJALGSA-N 1 0 355.438 4.000 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1ccccc1)C(C)C ZINC000532915189 1098605699 /nfs/dbraw/zinc/60/56/99/1098605699.db2.gz SHLLKJHUYTTWTJ-UHFFFAOYSA-N 1 0 355.438 4.142 20 5 FIBDRO CC[NH+](CC)Cc1ccccc1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000515539374 1098678481 /nfs/dbraw/zinc/67/84/81/1098678481.db2.gz NBJMWSHTOPOYOP-UHFFFAOYSA-N 1 0 364.449 4.019 20 5 FIBDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000533054658 1098721437 /nfs/dbraw/zinc/72/14/37/1098721437.db2.gz OJMCIWDEOGPGOG-KUHUBIRLSA-N 1 0 353.422 4.053 20 5 FIBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000533223273 1098888453 /nfs/dbraw/zinc/88/84/53/1098888453.db2.gz WSMYDGSZDDUZMM-UHFFFAOYSA-N 1 0 351.406 4.314 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H]3C3CCCC3)o2)c1 ZINC000533251898 1098913965 /nfs/dbraw/zinc/91/39/65/1098913965.db2.gz APVSIEQTALSROH-SFHVURJKSA-N 1 0 355.438 4.447 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)n1 ZINC000436302439 1098916009 /nfs/dbraw/zinc/91/60/09/1098916009.db2.gz UTQMJIZIFMRDMH-DDBAPUKQSA-N 1 0 374.872 4.464 20 5 FIBDRO CS[C@H](C)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000533562691 1099174532 /nfs/dbraw/zinc/17/45/32/1099174532.db2.gz XTRNYLZCYTUBFW-GFCCVEGCSA-N 1 0 350.415 4.367 20 5 FIBDRO CC(C)CC1(C)CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000516220562 1099274974 /nfs/dbraw/zinc/27/49/74/1099274974.db2.gz WTVVBWACYPZUKF-UHFFFAOYSA-N 1 0 370.453 4.069 20 5 FIBDRO CC(C)[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000505891710 1099371626 /nfs/dbraw/zinc/37/16/26/1099371626.db2.gz NUYNFVNARMXFET-UHFFFAOYSA-N 1 0 350.422 4.288 20 5 FIBDRO COc1ccc(C[NH2+]CCCO[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000237380730 1099452710 /nfs/dbraw/zinc/45/27/10/1099452710.db2.gz PIGGEYUZZAAORA-FQEVSTJZSA-N 1 0 370.449 4.177 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCCOCCc1ccccc1 ZINC000516663304 1099687205 /nfs/dbraw/zinc/68/72/05/1099687205.db2.gz KQLCBOUCJQQBLJ-HXUWFJFHSA-N 1 0 354.450 4.211 20 5 FIBDRO COc1cc(C)c(C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])cc1OC ZINC000506045224 1099895173 /nfs/dbraw/zinc/89/51/73/1099895173.db2.gz AKLDEKKMANYFHS-VQHVLOKHSA-N 1 0 356.422 4.066 20 5 FIBDRO CN1Cc2ccccc2[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000533818404 1099980643 /nfs/dbraw/zinc/98/06/43/1099980643.db2.gz DSYLDRJYCZFRJA-IBGZPJMESA-N 1 0 363.417 4.131 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2c[nH]nc2-c2ccsc2)C2CC2)cc1 ZINC000437577331 1099997629 /nfs/dbraw/zinc/99/76/29/1099997629.db2.gz LZENNQHGNWZFLM-UHFFFAOYSA-N 1 0 354.435 4.211 20 5 FIBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000536663262 1100136504 /nfs/dbraw/zinc/13/65/04/1100136504.db2.gz FHRYEUXOICMHFT-MRXNPFEDSA-N 1 0 373.522 4.487 20 5 FIBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000536664642 1100141278 /nfs/dbraw/zinc/14/12/78/1100141278.db2.gz RTOISPFQBNQYRK-MRXNPFEDSA-N 1 0 373.522 4.487 20 5 FIBDRO Cc1c(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)cccc1[N+](=O)[O-] ZINC000459533721 1100284196 /nfs/dbraw/zinc/28/41/96/1100284196.db2.gz PQTDGNUINSTMCW-HXUWFJFHSA-N 1 0 354.450 4.287 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CC2CC(F)(F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000425934544 1100314886 /nfs/dbraw/zinc/31/48/86/1100314886.db2.gz CXOXEGGAAYQGMK-KRWDZBQOSA-N 1 0 350.365 4.475 20 5 FIBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000536851375 1100364963 /nfs/dbraw/zinc/36/49/63/1100364963.db2.gz JZZVCDQROKLSHR-MDOVXXIYSA-N 1 0 360.429 4.421 20 5 FIBDRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000536858135 1100374841 /nfs/dbraw/zinc/37/48/41/1100374841.db2.gz NRTYDBLXXWNYJV-KGLIPLIRSA-N 1 0 371.462 4.365 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000536870396 1100388459 /nfs/dbraw/zinc/38/84/59/1100388459.db2.gz OSTRVKXSPOLXGQ-CXAGYDPISA-N 1 0 373.840 4.013 20 5 FIBDRO C[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Oc1ccccc1 ZINC000506285042 1100761363 /nfs/dbraw/zinc/76/13/63/1100761363.db2.gz OOBWNIVJSPGIQI-OAHLLOKOSA-N 1 0 352.390 4.412 20 5 FIBDRO O=C(CC[NH2+][C@@H](c1ccccc1)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000518010065 1100862662 /nfs/dbraw/zinc/86/26/62/1100862662.db2.gz NDSJFSSKFKYKMP-NRFANRHFSA-N 1 0 367.449 4.445 20 5 FIBDRO COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1O ZINC000426170609 1100937710 /nfs/dbraw/zinc/93/77/10/1100937710.db2.gz PRGMIYFARJNVNB-CABCVRRESA-N 1 0 358.438 4.289 20 5 FIBDRO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000509554265 1100938795 /nfs/dbraw/zinc/93/87/95/1100938795.db2.gz GNVUFEQTGOZMBA-UHFFFAOYSA-N 1 0 363.417 4.374 20 5 FIBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000518263604 1101048484 /nfs/dbraw/zinc/04/84/84/1101048484.db2.gz YWQMYBDFNYSNFW-CVEARBPZSA-N 1 0 357.454 4.065 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)c1ccc(OC)cc1 ZINC000518275153 1101058053 /nfs/dbraw/zinc/05/80/53/1101058053.db2.gz GIYDTUKIQOMFRW-UHFFFAOYSA-N 1 0 358.438 4.070 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000518475785 1101234804 /nfs/dbraw/zinc/23/48/04/1101234804.db2.gz GNBZNMCXTHLCIN-INIZCTEOSA-N 1 0 357.479 4.205 20 5 FIBDRO CC(C)(C)c1nnc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)[nH]1 ZINC000459692608 1101328993 /nfs/dbraw/zinc/32/89/93/1101328993.db2.gz FDVXBODZIXRZCG-UHFFFAOYSA-N 1 0 371.466 4.029 20 5 FIBDRO COC[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000537058990 1101413750 /nfs/dbraw/zinc/41/37/50/1101413750.db2.gz IKCTZNINOHNCBQ-LJQANCHMSA-N 1 0 364.392 4.173 20 5 FIBDRO CCCOc1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000537049713 1101425740 /nfs/dbraw/zinc/42/57/40/1101425740.db2.gz OYPHYSILGNQYFV-HNNXBMFYSA-N 1 0 358.438 4.286 20 5 FIBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000537074411 1101438852 /nfs/dbraw/zinc/43/88/52/1101438852.db2.gz GLSORCANCHWPCI-MRXNPFEDSA-N 1 0 372.318 4.396 20 5 FIBDRO O=C(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000537104661 1101450818 /nfs/dbraw/zinc/45/08/18/1101450818.db2.gz MQMAYHDEIRWVQQ-LJQANCHMSA-N 1 0 373.840 4.318 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1cc2cccc(F)c2o1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000475716531 1101465458 /nfs/dbraw/zinc/46/54/58/1101465458.db2.gz PZQKOZIEMZVWSR-RYUDHWBXSA-N 1 0 371.368 4.158 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1cc2cccc(F)c2o1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000475716528 1101465528 /nfs/dbraw/zinc/46/55/28/1101465528.db2.gz PZQKOZIEMZVWSR-NWDGAFQWSA-N 1 0 371.368 4.158 20 5 FIBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000537108177 1101475747 /nfs/dbraw/zinc/47/57/47/1101475747.db2.gz GUACXHVCPFCQFE-QGZVFWFLSA-N 1 0 370.840 4.055 20 5 FIBDRO CSc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000439476529 1101477869 /nfs/dbraw/zinc/47/78/69/1101477869.db2.gz GSUDWBCRFOIVIZ-CQSZACIVSA-N 1 0 373.478 4.305 20 5 FIBDRO Cc1cc(C)cc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000537115101 1101480967 /nfs/dbraw/zinc/48/09/67/1101480967.db2.gz BUVKOBOUHCTEAG-MRXNPFEDSA-N 1 0 355.438 4.199 20 5 FIBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000537135313 1101490631 /nfs/dbraw/zinc/49/06/31/1101490631.db2.gz RSHXSZIIHWPYFB-INIZCTEOSA-N 1 0 363.417 4.386 20 5 FIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1Cl ZINC000537174587 1101517983 /nfs/dbraw/zinc/51/79/83/1101517983.db2.gz SWPANOXXLQOBCQ-LLVKDONJSA-N 1 0 365.792 4.067 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000537175599 1101520389 /nfs/dbraw/zinc/52/03/89/1101520389.db2.gz RLFORZRMVIHHGH-HRAATJIYSA-N 1 0 369.465 4.067 20 5 FIBDRO CN(CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000518769616 1101527056 /nfs/dbraw/zinc/52/70/56/1101527056.db2.gz JRVSCYMCATWNFT-UHFFFAOYSA-N 1 0 351.406 4.081 20 5 FIBDRO CCN(CC)[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000518771758 1101534549 /nfs/dbraw/zinc/53/45/49/1101534549.db2.gz YDSNRVNBIJFUKY-NRFANRHFSA-N 1 0 371.481 4.085 20 5 FIBDRO COc1cc(C[NH2+]CC(C)(C)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1O ZINC000509598029 1101563763 /nfs/dbraw/zinc/56/37/63/1101563763.db2.gz DLYBHRGEXYBYJL-UHFFFAOYSA-N 1 0 364.829 4.030 20 5 FIBDRO Cc1ccc(C[NH+]2CCC(OCCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000092195405 1101667120 /nfs/dbraw/zinc/66/71/20/1101667120.db2.gz IKQKFCPTMRZGCU-UHFFFAOYSA-N 1 0 354.450 4.127 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000506710823 1101863139 /nfs/dbraw/zinc/86/31/39/1101863139.db2.gz JZSFURWFVKYOFY-KNYPUDEUSA-N 1 0 358.463 4.351 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000026224953 1101944034 /nfs/dbraw/zinc/94/40/34/1101944034.db2.gz VBLYCYFZEQELCA-UHFFFAOYSA-N 1 0 361.829 4.017 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000026226312 1101948357 /nfs/dbraw/zinc/94/83/57/1101948357.db2.gz XDHRLUJGQFOXSY-UHFFFAOYSA-N 1 0 361.829 4.017 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCOC4(CCCCC4)C3)CC2)cc1 ZINC000127563990 1101995462 /nfs/dbraw/zinc/99/54/62/1101995462.db2.gz IAPRNBRRPAWCMT-SFHVURJKSA-N 1 0 373.497 4.035 20 5 FIBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000519374529 1102150507 /nfs/dbraw/zinc/15/05/07/1102150507.db2.gz UFXJRXNFSOPCLL-SFHVURJKSA-N 1 0 359.473 4.088 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@H]2CCCO2)cc1 ZINC000237773371 1102207024 /nfs/dbraw/zinc/20/70/24/1102207024.db2.gz FKAMETFZEFFZSR-MRXNPFEDSA-N 1 0 362.813 4.309 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccsc2)cccc1[N+](=O)[O-] ZINC000052803856 1102330422 /nfs/dbraw/zinc/33/04/22/1102330422.db2.gz NHIYLNBAGXNDRT-QGZVFWFLSA-N 1 0 359.451 4.130 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000532451992 1102343756 /nfs/dbraw/zinc/34/37/56/1102343756.db2.gz CLBIYIMFMTUSSP-DYESRHJHSA-N 1 0 353.466 4.391 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3C3CCCCC3)n2)cc1 ZINC000532474499 1102398906 /nfs/dbraw/zinc/39/89/06/1102398906.db2.gz RVCTVITYNVQSCT-QGZVFWFLSA-N 1 0 356.426 4.190 20 5 FIBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000532586867 1102507063 /nfs/dbraw/zinc/50/70/63/1102507063.db2.gz YENBFVMFWNIRRQ-KRWDZBQOSA-N 1 0 366.421 4.098 20 5 FIBDRO Cc1cc(C[C@H](C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[nH]n1 ZINC000532627388 1102603716 /nfs/dbraw/zinc/60/37/16/1102603716.db2.gz NSKAENGSYXNNOG-LBPRGKRZSA-N 1 0 356.451 4.076 20 5 FIBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCCO2 ZINC000192606900 1102644558 /nfs/dbraw/zinc/64/45/58/1102644558.db2.gz AYEAUJRHQMPRTH-FZKQIMNGSA-N 1 0 354.406 4.094 20 5 FIBDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000053279681 1102658342 /nfs/dbraw/zinc/65/83/42/1102658342.db2.gz MDXLNRKFZXZAGJ-SFHVURJKSA-N 1 0 364.405 4.290 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCc3c(O)cccc32)cc(C(F)(F)F)c1 ZINC000550902226 1102679358 /nfs/dbraw/zinc/67/93/58/1102679358.db2.gz PLWDKLYQWPYKCP-INIZCTEOSA-N 1 0 366.339 4.486 20 5 FIBDRO COc1ccc([C@@H]([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000184299853 1102804439 /nfs/dbraw/zinc/80/44/39/1102804439.db2.gz DDLBLHRNYZWHFZ-IBGZPJMESA-N 1 0 362.401 4.238 20 5 FIBDRO Nc1ccc2cc3ccc(Nc4cnc(N5CCCC5)nc4)cc3[nH+]c2c1 ZINC001211936458 1102819233 /nfs/dbraw/zinc/81/92/33/1102819233.db2.gz RTLQQIRSHCAATG-UHFFFAOYSA-N 1 0 356.433 4.104 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cnn(Cc3ccccc3)c1)CCC2 ZINC000192659234 1102895303 /nfs/dbraw/zinc/89/53/03/1102895303.db2.gz NBARIGAWBMZDJR-NRFANRHFSA-N 1 0 362.433 4.007 20 5 FIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000507008468 1103031396 /nfs/dbraw/zinc/03/13/96/1103031396.db2.gz UCPXSOKTUMSEHW-RDJZCZTQSA-N 1 0 362.433 4.390 20 5 FIBDRO Cc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000507166438 1103167865 /nfs/dbraw/zinc/16/78/65/1103167865.db2.gz WRHXDNYMBFVNAB-IAGOWNOFSA-N 1 0 367.449 4.028 20 5 FIBDRO Cc1cccc(-c2n[nH]cc2C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000507169945 1103189846 /nfs/dbraw/zinc/18/98/46/1103189846.db2.gz LGTMCGCEDDPWSD-UHFFFAOYSA-N 1 0 362.433 4.458 20 5 FIBDRO Cc1c([C@@H](C)N[C@H](C[NH+]2CCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000120833369 1103373040 /nfs/dbraw/zinc/37/30/40/1103373040.db2.gz MFYDKJLCEHGJAB-YLJYHZDGSA-N 1 0 353.466 4.391 20 5 FIBDRO CCC[C@H]([NH2+]Cc1cccc(Cn2ccnc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000151336689 1103385407 /nfs/dbraw/zinc/38/54/07/1103385407.db2.gz LKMMODXSAUAPIN-NRFANRHFSA-N 1 0 364.449 4.471 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)CCC2 ZINC000192772413 1103540834 /nfs/dbraw/zinc/54/08/34/1103540834.db2.gz MJUFKAMVIJJDHR-NJYVYQBISA-N 1 0 352.434 4.482 20 5 FIBDRO CSc1ccccc1[C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000440609794 1103823427 /nfs/dbraw/zinc/82/34/27/1103823427.db2.gz HWKOVKKBFGRMSW-AWEZNQCLSA-N 1 0 373.478 4.305 20 5 FIBDRO COc1ccc(OCC[NH2+][C@H](C)c2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000538278332 1104098383 /nfs/dbraw/zinc/09/83/83/1104098383.db2.gz SVACCFQIMBAXIO-LLVKDONJSA-N 1 0 368.792 4.126 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000536329292 1104732568 /nfs/dbraw/zinc/73/25/68/1104732568.db2.gz PPYKUIPEQGQLJW-GHTZIAJQSA-N 1 0 367.449 4.020 20 5 FIBDRO COc1ccc(C[N@H+](C[C@H]2CCCO2)C2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000441457697 1104755295 /nfs/dbraw/zinc/75/52/95/1104755295.db2.gz ONZMUOXQFLLTHJ-VMWRSERWSA-N 1 0 362.470 4.163 20 5 FIBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCc2ccccc2C1 ZINC000536365865 1104819722 /nfs/dbraw/zinc/81/97/22/1104819722.db2.gz QNTPNSVDBSKCTJ-FQEVSTJZSA-N 1 0 363.417 4.239 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CC2(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000507941130 1105278881 /nfs/dbraw/zinc/27/88/81/1105278881.db2.gz LZLCGVSLPSNFRJ-IBGZPJMESA-N 1 0 356.422 4.071 20 5 FIBDRO Cc1cc([C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2cccnc2)ccc1F ZINC000544381368 1106769777 /nfs/dbraw/zinc/76/97/77/1106769777.db2.gz NKNOEXVFJOGGSS-NRFANRHFSA-N 1 0 365.408 4.359 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CCc2ccncc2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544382080 1106850820 /nfs/dbraw/zinc/85/08/20/1106850820.db2.gz OACXIRKWDIGLOY-NRFANRHFSA-N 1 0 365.433 4.375 20 5 FIBDRO Cc1ccccc1CC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451169901 1106957293 /nfs/dbraw/zinc/95/72/93/1106957293.db2.gz NHINZDJOANRWBK-HNNXBMFYSA-N 1 0 366.421 4.189 20 5 FIBDRO Cc1c([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cccc1[N+](=O)[O-] ZINC000530366039 1106986894 /nfs/dbraw/zinc/98/68/94/1106986894.db2.gz WECQDPXKCUFYLJ-FMKPAKJESA-N 1 0 370.453 4.085 20 5 FIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3nc4cc(F)ccc4o3)C2)cc1 ZINC000451551727 1107171557 /nfs/dbraw/zinc/17/15/57/1107171557.db2.gz UWRIKKPQESXTTP-AWEZNQCLSA-N 1 0 355.369 4.255 20 5 FIBDRO O=[N+]([O-])c1cccc(Cl)c1CN[C@H](c1cccs1)C1(CO)CCC1 ZINC000452059459 1107454303 /nfs/dbraw/zinc/45/43/03/1107454303.db2.gz KMXCDAUJKQQLHQ-MRXNPFEDSA-N 1 0 366.870 4.303 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](CO)c3ccccc3)s2)cc1 ZINC000531153575 1107582750 /nfs/dbraw/zinc/58/27/50/1107582750.db2.gz UKLFYKYNPXMEMF-KRWDZBQOSA-N 1 0 368.458 4.189 20 5 FIBDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000531204162 1107645365 /nfs/dbraw/zinc/64/53/65/1107645365.db2.gz CJWGIIGLDXJTBS-HOTGVXAUSA-N 1 0 355.438 4.198 20 5 FIBDRO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531205218 1107648191 /nfs/dbraw/zinc/64/81/91/1107648191.db2.gz VZTFRSXHVXGBFN-IKGGRYGDSA-N 1 0 369.465 4.128 20 5 FIBDRO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000531204969 1107648752 /nfs/dbraw/zinc/64/87/52/1107648752.db2.gz NCEFZEYFUQTCSO-JKSUJKDBSA-N 1 0 355.438 4.198 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000531451740 1107896173 /nfs/dbraw/zinc/89/61/73/1107896173.db2.gz CTAKSLLOJVZPNW-TZMCWYRMSA-N 1 0 360.376 4.452 20 5 FIBDRO Cc1c(C[NH2+]C[C@H]2CCN(c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC001648973017 1107953833 /nfs/dbraw/zinc/95/38/33/1107953833.db2.gz BDEHUPWNQGREQU-OAHLLOKOSA-N 1 0 359.857 4.173 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)N1CCc2sccc2C1 ZINC000531698427 1108076646 /nfs/dbraw/zinc/07/66/46/1108076646.db2.gz AWKPAJNZOOXLGR-LSDHHAIUSA-N 1 0 359.495 4.062 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](c3ccccc3)C3CCCC3)nc2c1 ZINC000444683107 1108083898 /nfs/dbraw/zinc/08/38/98/1108083898.db2.gz WYFSOFFEVMAQFG-FQEVSTJZSA-N 1 0 350.422 4.492 20 5 FIBDRO Cc1ccc2nc(C[NH2+][C@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])cn2c1 ZINC000520298038 1108304993 /nfs/dbraw/zinc/30/49/93/1108304993.db2.gz JMZDAWRLTGTNLB-APWZRJJASA-N 1 0 364.449 4.052 20 5 FIBDRO C[C@@](CO)([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000523527811 1108306418 /nfs/dbraw/zinc/30/64/18/1108306418.db2.gz REGCZRNRGXOVDP-FQEVSTJZSA-N 1 0 358.438 4.276 20 5 FIBDRO CC[NH+](CC)[C@H](c1nc(-c2cccc([N+](=O)[O-])c2C)no1)c1ccccc1 ZINC000453260710 1108332878 /nfs/dbraw/zinc/33/28/78/1108332878.db2.gz RAZASMMHYPNCQN-SFHVURJKSA-N 1 0 366.421 4.384 20 5 FIBDRO CCC[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000453282836 1108359984 /nfs/dbraw/zinc/35/99/84/1108359984.db2.gz OIRVTEFUUOPZHJ-MAUKXSAKSA-N 1 0 361.486 4.050 20 5 FIBDRO CCOc1ccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OCC ZINC000531947863 1108425870 /nfs/dbraw/zinc/42/58/70/1108425870.db2.gz GCZGFTXHKLULPX-HNNXBMFYSA-N 1 0 358.438 4.286 20 5 FIBDRO CC[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000531954014 1108441725 /nfs/dbraw/zinc/44/17/25/1108441725.db2.gz VEHAGASUMCIXIE-KBXCAEBGSA-N 1 0 359.495 4.144 20 5 FIBDRO CC[C@H]([NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000453383279 1108466558 /nfs/dbraw/zinc/46/65/58/1108466558.db2.gz SJDBAHSLBNOEDD-MANSERQUSA-N 1 0 372.469 4.029 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453371984 1108491879 /nfs/dbraw/zinc/49/18/79/1108491879.db2.gz YRALSBQPNPBPHV-UONOGXRCSA-N 1 0 370.478 4.339 20 5 FIBDRO Cc1cnc(CC[NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000453404152 1108505577 /nfs/dbraw/zinc/50/55/77/1108505577.db2.gz PCVSMHDIEPLCBV-CQSZACIVSA-N 1 0 368.462 4.315 20 5 FIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1cccs1)C1CC1 ZINC000532199354 1108706859 /nfs/dbraw/zinc/70/68/59/1108706859.db2.gz DROPVDMHOBBDGB-XIKOKIGWSA-N 1 0 359.451 4.114 20 5 FIBDRO O=[N+]([O-])c1ccccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532244182 1108733448 /nfs/dbraw/zinc/73/34/48/1108733448.db2.gz XIRHIXTVWMNIEQ-FPOVZHCZSA-N 1 0 365.477 4.081 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1cc2cccc(F)c2o1 ZINC000475699691 1108822018 /nfs/dbraw/zinc/82/20/18/1108822018.db2.gz XMCHWRGSFOFPMA-GFCCVEGCSA-N 1 0 371.368 4.078 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000057555275 1108825199 /nfs/dbraw/zinc/82/51/99/1108825199.db2.gz MSIZYWOFDZZTML-LSDHHAIUSA-N 1 0 363.417 4.426 20 5 FIBDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]2CCCO[C@@H]21 ZINC000525195028 1109304301 /nfs/dbraw/zinc/30/43/01/1109304301.db2.gz DKZBLEKSKRMPBX-UHOSZYNNSA-N 1 0 356.422 4.148 20 5 FIBDRO COc1ccc2c(c1)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CCCS2 ZINC000446818913 1109344614 /nfs/dbraw/zinc/34/46/14/1109344614.db2.gz QJDMGUKWMSYPGO-GOSISDBHSA-N 1 0 358.463 4.363 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CC(c4ccc(Cl)cc4)C3)nc2c1 ZINC000446830545 1109354366 /nfs/dbraw/zinc/35/43/66/1109354366.db2.gz TWIGHZYEWAOFNR-UHFFFAOYSA-N 1 0 356.813 4.160 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(Oc2ncccc2C)CC1 ZINC000429715795 1109446608 /nfs/dbraw/zinc/44/66/08/1109446608.db2.gz JIAUCBXJUYBDSJ-INIZCTEOSA-N 1 0 355.438 4.211 20 5 FIBDRO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[C@@H]1c1ccccc1 ZINC000525639667 1109465287 /nfs/dbraw/zinc/46/52/87/1109465287.db2.gz VWXGQLQMRITJBT-YWZLYKJASA-N 1 0 368.433 4.087 20 5 FIBDRO Cc1cn2c(n1)[C@H](C[NH2+]Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CCC2 ZINC000525695335 1109485854 /nfs/dbraw/zinc/48/58/54/1109485854.db2.gz RQXAWJHNFZPUMB-HNNXBMFYSA-N 1 0 366.421 4.027 20 5 FIBDRO Cc1ccccc1C[C@@H](C)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000447402687 1109534680 /nfs/dbraw/zinc/53/46/80/1109534680.db2.gz ADLCOLMDZAAQDR-OAHLLOKOSA-N 1 0 366.421 4.016 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)CCC2 ZINC000447522465 1109560097 /nfs/dbraw/zinc/56/00/97/1109560097.db2.gz YVBBCRWSESUOLZ-RTBURBONSA-N 1 0 371.506 4.460 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2s1 ZINC000525951936 1109562335 /nfs/dbraw/zinc/56/23/35/1109562335.db2.gz SJXQEZBZFIAXAM-OLZOCXBDSA-N 1 0 369.446 4.487 20 5 FIBDRO Cc1ccc(OCCCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447527355 1109563085 /nfs/dbraw/zinc/56/30/85/1109563085.db2.gz DVLQSPYGBWKGAU-MOPGFXCFSA-N 1 0 372.469 4.032 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)CCC2 ZINC000447534034 1109570216 /nfs/dbraw/zinc/57/02/16/1109570216.db2.gz ZJVOOHDAIKQWEB-FGZHOGPDSA-N 1 0 365.477 4.399 20 5 FIBDRO Cc1c2ccccc2oc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447545605 1109574467 /nfs/dbraw/zinc/57/44/67/1109574467.db2.gz RUIXFAOXHIQROR-HZPDHXFCSA-N 1 0 354.410 4.119 20 5 FIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2csc3ccccc23)n1 ZINC000447547477 1109575323 /nfs/dbraw/zinc/57/53/23/1109575323.db2.gz CDQUNHXSZCXGIC-CVEARBPZSA-N 1 0 356.451 4.280 20 5 FIBDRO CCO[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000447559218 1109581198 /nfs/dbraw/zinc/58/11/98/1109581198.db2.gz SJSSCVOPCKOTMB-PZJWPPBQSA-N 1 0 354.450 4.283 20 5 FIBDRO COc1cc2c(cc1C[NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)O[C@H](C)C2 ZINC000447561525 1109582245 /nfs/dbraw/zinc/58/22/45/1109582245.db2.gz IIXKUQSPIRSLAC-YJYMSZOUSA-N 1 0 368.433 4.094 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1nc3c(s1)CCCC3)CCC2 ZINC000447589794 1109589025 /nfs/dbraw/zinc/58/90/25/1109589025.db2.gz YZWHNYMEGKMSTM-INIZCTEOSA-N 1 0 357.479 4.140 20 5 FIBDRO Cc1oc2ccccc2c1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447597858 1109591711 /nfs/dbraw/zinc/59/17/11/1109591711.db2.gz GEIADCBCVNLMFG-ROUUACIJSA-N 1 0 368.437 4.162 20 5 FIBDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)CCO2 ZINC000447598071 1109592621 /nfs/dbraw/zinc/59/26/21/1109592621.db2.gz HIIPSJKQZAMVSB-OALUTQOASA-N 1 0 354.406 4.094 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cc(Cl)cc3c1OCC3)CCC2 ZINC000447600211 1109599029 /nfs/dbraw/zinc/59/90/29/1109599029.db2.gz ZVEGIDFETCTUEP-GOSISDBHSA-N 1 0 358.825 4.350 20 5 FIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000447951313 1109679938 /nfs/dbraw/zinc/67/99/38/1109679938.db2.gz BQLMIRKYXJHQNS-LLVKDONJSA-N 1 0 367.390 4.146 20 5 FIBDRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449085890 1109970911 /nfs/dbraw/zinc/97/09/11/1109970911.db2.gz PLXQQQBSASPSNG-HZPDHXFCSA-N 1 0 369.465 4.300 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000449100080 1109975926 /nfs/dbraw/zinc/97/59/26/1109975926.db2.gz VVLPQLIWSLJVIB-CVEARBPZSA-N 1 0 367.449 4.003 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCCCO3)cc1[N+](=O)[O-] ZINC000449176391 1109989103 /nfs/dbraw/zinc/98/91/03/1109989103.db2.gz SNZKHGILOLDPFM-OAHLLOKOSA-N 1 0 356.422 4.305 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000449167565 1109990972 /nfs/dbraw/zinc/99/09/72/1109990972.db2.gz KIXPZPQMTIKREK-HZPDHXFCSA-N 1 0 350.422 4.062 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000449195140 1109992522 /nfs/dbraw/zinc/99/25/22/1109992522.db2.gz YQIAMFRNBWVMIR-CVEARBPZSA-N 1 0 350.422 4.062 20 5 FIBDRO Cc1ccc(-c2nc(C[NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])co2)cc1 ZINC000449180152 1109992909 /nfs/dbraw/zinc/99/29/09/1109992909.db2.gz YNYAGWILSIIJBM-HNNXBMFYSA-N 1 0 351.406 4.279 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)cc1 ZINC000449219064 1109999962 /nfs/dbraw/zinc/99/99/62/1109999962.db2.gz MKOHNQVJPPPJOZ-OAHLLOKOSA-N 1 0 365.202 4.274 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000449304266 1110022351 /nfs/dbraw/zinc/02/23/51/1110022351.db2.gz ZDHIQUFMTOMBML-RYUDHWBXSA-N 1 0 364.243 4.034 20 5 FIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c(C)c1OC ZINC000449331135 1110028717 /nfs/dbraw/zinc/02/87/17/1110028717.db2.gz NCKZEHWWFMVRQY-DZGCQCFKSA-N 1 0 358.438 4.202 20 5 FIBDRO Cc1cccnc1CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449486797 1110089862 /nfs/dbraw/zinc/08/98/62/1110089862.db2.gz VHTOFCFWOHLNOP-UHFFFAOYSA-N 1 0 351.406 4.281 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3C[C@@H](C4CC4)[C@H]3C3CC3)cs2)c1 ZINC000449536465 1110103385 /nfs/dbraw/zinc/10/33/85/1110103385.db2.gz IOFDSMRBSCGGIP-ZWKOTPCHSA-N 1 0 355.463 4.339 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CCN(Cc1cnc(-c3cccs3)s1)C2 ZINC000538727337 1111265123 /nfs/dbraw/zinc/26/51/23/1111265123.db2.gz JGOKNNNDNMJBGV-UHFFFAOYSA-N 1 0 357.460 4.338 20 5 FIBDRO CC[C@H]([NH2+][C@H](C)[C@@H](OC)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539051112 1111400171 /nfs/dbraw/zinc/40/01/71/1111400171.db2.gz WWILDLASWMJPIP-VOBQZIQPSA-N 1 0 358.438 4.420 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539052337 1111401597 /nfs/dbraw/zinc/40/15/97/1111401597.db2.gz VUQKNEWHAUTPBI-SJORKVTESA-N 1 0 368.355 4.388 20 5 FIBDRO CC[C@@H]([NH2+]CCCc1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000539056852 1111403822 /nfs/dbraw/zinc/40/38/22/1111403822.db2.gz CKYPGNIFMDGGRI-GOSISDBHSA-N 1 0 356.422 4.040 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000539085492 1111414289 /nfs/dbraw/zinc/41/42/89/1111414289.db2.gz XCAVNFYXBJHBQX-ACJLOTCBSA-N 1 0 373.840 4.013 20 5 FIBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1 ZINC000539069181 1111417368 /nfs/dbraw/zinc/41/73/68/1111417368.db2.gz QZNAXIRPFOYZNR-CQSZACIVSA-N 1 0 369.446 4.448 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000539069455 1111418033 /nfs/dbraw/zinc/41/80/33/1111418033.db2.gz FMAQGIIOMDYNTM-HIFRSBDPSA-N 1 0 373.840 4.013 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(O)CCC2)ccc1Oc1ccccc1Cl ZINC000238142789 1111418116 /nfs/dbraw/zinc/41/81/16/1111418116.db2.gz VWJAUWRRRYXXLD-UHFFFAOYSA-N 1 0 362.813 4.045 20 5 FIBDRO CCC(CC)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000539277849 1111495236 /nfs/dbraw/zinc/49/52/36/1111495236.db2.gz YGPLDKPTXJSMCC-KRWDZBQOSA-N 1 0 361.467 4.022 20 5 FIBDRO CC(C)(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000539301991 1111512226 /nfs/dbraw/zinc/51/22/26/1111512226.db2.gz VNEMDDXMLKWZPZ-HNNXBMFYSA-N 1 0 370.375 4.187 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](c1cccs1)C1CC1 ZINC000539365300 1111539474 /nfs/dbraw/zinc/53/94/74/1111539474.db2.gz OJOJYQYOYBAGJS-SFHVURJKSA-N 1 0 359.451 4.034 20 5 FIBDRO Cc1cccc([C@@H](C)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000552244818 1111635625 /nfs/dbraw/zinc/63/56/25/1111635625.db2.gz MVSCBVDLNCIGDZ-JXFKEZNVSA-N 1 0 364.449 4.119 20 5 FIBDRO Cc1c(NC(=O)CC[NH2+]C2(c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000553002685 1111879175 /nfs/dbraw/zinc/87/91/75/1111879175.db2.gz DGMQZSSUNKJQNC-UHFFFAOYSA-N 1 0 373.840 4.164 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)c3ccc(F)cc3)s2)cc1 ZINC000553464889 1111983547 /nfs/dbraw/zinc/98/35/47/1111983547.db2.gz QZUWBTNTIHCRDT-GOSISDBHSA-N 1 0 372.421 4.286 20 5 FIBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000553510207 1111992064 /nfs/dbraw/zinc/99/20/64/1111992064.db2.gz XOOHAWZKTCPTBQ-WMZOPIPTSA-N 1 0 359.473 4.087 20 5 FIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000553859144 1112110077 /nfs/dbraw/zinc/11/00/77/1112110077.db2.gz MBWVGPCBFYEVPD-ZDUSSCGKSA-N 1 0 373.840 4.244 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](c2ccco2)N2CCCCC2)cc1[N+](=O)[O-] ZINC000480088178 1112273122 /nfs/dbraw/zinc/27/31/22/1112273122.db2.gz CXIBUKDKOYMEFW-QFBILLFUSA-N 1 0 357.454 4.374 20 5 FIBDRO CCCOc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1OCC ZINC000480463297 1112439843 /nfs/dbraw/zinc/43/98/43/1112439843.db2.gz FKUPVVJMYURPQZ-UHFFFAOYSA-N 1 0 358.438 4.381 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@](C)(Cc1ccccc1)[C@H](C)O ZINC000480481584 1112440983 /nfs/dbraw/zinc/44/09/83/1112440983.db2.gz WCWHNEQNRMEBLL-RYTWQXEGSA-N 1 0 368.477 4.218 20 5 FIBDRO Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000480606892 1112507730 /nfs/dbraw/zinc/50/77/30/1112507730.db2.gz ISRJRZAGTAXVPA-KRWDZBQOSA-N 1 0 364.449 4.291 20 5 FIBDRO Cc1ccc(C[NH+]2CCC(Cc3nc(C4CCC4)no3)CC2)cc1[N+](=O)[O-] ZINC000600206433 1112928809 /nfs/dbraw/zinc/92/88/09/1112928809.db2.gz XYDZRALUELINFN-UHFFFAOYSA-N 1 0 370.453 4.008 20 5 FIBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(C)(C)O ZINC000555626460 1112948328 /nfs/dbraw/zinc/94/83/28/1112948328.db2.gz XGIOUARVNOXITH-INIZCTEOSA-N 1 0 352.818 4.147 20 5 FIBDRO C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000482301913 1113220132 /nfs/dbraw/zinc/22/01/32/1113220132.db2.gz ADDMYTIANZLOHH-KRWDZBQOSA-N 1 0 360.385 4.137 20 5 FIBDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000159902257 1113256888 /nfs/dbraw/zinc/25/68/88/1113256888.db2.gz YPRBSXDUBQJUIP-HNNXBMFYSA-N 1 0 355.438 4.493 20 5 FIBDRO Cn1cc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000482506899 1113279991 /nfs/dbraw/zinc/27/99/91/1113279991.db2.gz ITVWGMXUZSPDNU-UHFFFAOYSA-N 1 0 374.444 4.043 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000159997542 1113280510 /nfs/dbraw/zinc/28/05/10/1113280510.db2.gz ZEFNSRAUPVZBBY-AWEZNQCLSA-N 1 0 373.419 4.218 20 5 FIBDRO Cc1c([C@H](C)[NH2+]CCC2CCN(CC(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000159997966 1113280587 /nfs/dbraw/zinc/28/05/87/1113280587.db2.gz TVRWMUKPRHURHQ-AWEZNQCLSA-N 1 0 373.419 4.218 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3CCOCC3)o2)c(Cl)c1 ZINC000171052127 1113307381 /nfs/dbraw/zinc/30/73/81/1113307381.db2.gz PFGXNFIFSWLKMR-UHFFFAOYSA-N 1 0 350.802 4.024 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](c4ccccc4)CC3)nc2c1 ZINC000482699599 1113335563 /nfs/dbraw/zinc/33/55/63/1113335563.db2.gz YFEDQMMXPPHJCD-INIZCTEOSA-N 1 0 350.422 4.241 20 5 FIBDRO CCCNC(=O)c1cccc(C[NH2+][C@H](CCC)c2cccc([N+](=O)[O-])c2)c1 ZINC000160605598 1113419784 /nfs/dbraw/zinc/41/97/84/1113419784.db2.gz TZADOVDCCNKBAN-HXUWFJFHSA-N 1 0 369.465 4.366 20 5 FIBDRO Cc1csc(CCCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000160645166 1113427988 /nfs/dbraw/zinc/42/79/88/1113427988.db2.gz KGMIXSOPZDSIJR-QGZVFWFLSA-N 1 0 359.495 4.293 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)cc1 ZINC000483056078 1113433399 /nfs/dbraw/zinc/43/33/99/1113433399.db2.gz JGHAXBDGVANFCY-FQEVSTJZSA-N 1 0 356.397 4.265 20 5 FIBDRO COCCOc1cc(C)ccc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192947309 1113573963 /nfs/dbraw/zinc/57/39/63/1113573963.db2.gz VLIDXCQDPNWFEY-HXUWFJFHSA-N 1 0 370.449 4.096 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000486852571 1113661289 /nfs/dbraw/zinc/66/12/89/1113661289.db2.gz OXLKVKDHVOWHAK-PXNSSMCTSA-N 1 0 372.469 4.115 20 5 FIBDRO COc1cc(C[NH2+]C[C@H]2CC2(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000489101951 1114050127 /nfs/dbraw/zinc/05/01/27/1114050127.db2.gz SJRMMEWJEVYQFB-QGZVFWFLSA-N 1 0 370.449 4.318 20 5 FIBDRO CC(C)c1ccc([C@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000490670474 1114315503 /nfs/dbraw/zinc/31/55/03/1114315503.db2.gz FXUZBAFBZPSSMR-HXUWFJFHSA-N 1 0 369.465 4.107 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000586795570 1114394814 /nfs/dbraw/zinc/39/48/14/1114394814.db2.gz RIUVPISHRSBBGK-STQMWFEESA-N 1 0 354.410 4.282 20 5 FIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CCC(O)(c3ccccc3)CC2)c1 ZINC000760649762 1114402414 /nfs/dbraw/zinc/40/24/14/1114402414.db2.gz OQKXFSKAQZYTNX-UHFFFAOYSA-N 1 0 360.841 4.168 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000164404970 1114494147 /nfs/dbraw/zinc/49/41/47/1114494147.db2.gz NZVJSDOJPGOINU-LJQANCHMSA-N 1 0 371.412 4.208 20 5 FIBDRO c1ccc2c(c1)cc(-c1noc([C@@H]3CC[NH2+][C@@H]4CCO[C@@H]43)n1)c1ccccc21 ZINC001212154668 1114646920 /nfs/dbraw/zinc/64/69/20/1114646920.db2.gz NCHCGEVASZVMQS-HMXCVIKNSA-N 1 0 371.440 4.277 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3Cc4ccc(Cl)cc4C3)c2c1 ZINC000588959298 1114681424 /nfs/dbraw/zinc/68/14/24/1114681424.db2.gz XIDLLTSCOXMOAY-INIZCTEOSA-N 1 0 355.825 4.029 20 5 FIBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000588985992 1114685361 /nfs/dbraw/zinc/68/53/61/1114685361.db2.gz QMBSOOZQZVBAQB-UHFFFAOYSA-N 1 0 362.474 4.023 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCC(OC(F)F)CC2)cc1[N+](=O)[O-] ZINC000590780165 1114972815 /nfs/dbraw/zinc/97/28/15/1114972815.db2.gz SLKNWMDZCYHHCQ-LMWSTFAQSA-N 1 0 358.385 4.195 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Br)cn1 ZINC000573386031 1115104011 /nfs/dbraw/zinc/10/40/11/1115104011.db2.gz QIDRAAJONXJIBL-ZUZCIYMTSA-N 1 0 362.227 4.090 20 5 FIBDRO CCOc1cc(C[N@@H+](Cc2ccc(C)nc2)CC2CC2)ccc1[N+](=O)[O-] ZINC000592146485 1115208776 /nfs/dbraw/zinc/20/87/76/1115208776.db2.gz RENHSXJZQWEQSS-UHFFFAOYSA-N 1 0 355.438 4.109 20 5 FIBDRO CC(=O)Nc1ccc(-c2cccc(C[N@H+]3CCC[C@@H]3C)c2)cc1[N+](=O)[O-] ZINC000592986411 1115278509 /nfs/dbraw/zinc/27/85/09/1115278509.db2.gz NFGRHCCEOGFIIJ-AWEZNQCLSA-N 1 0 353.422 4.205 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H](C3CC3)C3CCOCC3)o2)c1 ZINC000593668662 1115337759 /nfs/dbraw/zinc/33/77/59/1115337759.db2.gz PJAZRMHYJKYKMJ-FQEVSTJZSA-N 1 0 356.422 4.150 20 5 FIBDRO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC000594500018 1115451092 /nfs/dbraw/zinc/45/10/92/1115451092.db2.gz GKZLLIXWNAFDFB-GUYCJALGSA-N 1 0 364.405 4.025 20 5 FIBDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])CCO2 ZINC000594501184 1115451820 /nfs/dbraw/zinc/45/18/20/1115451820.db2.gz SONMDJIHZHEKJR-ROUUACIJSA-N 1 0 354.406 4.094 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1ccc2ccccc2n1 ZINC000595015596 1115504271 /nfs/dbraw/zinc/50/42/71/1115504271.db2.gz OVIPIEVVPFOOOF-CQSZACIVSA-N 1 0 351.406 4.045 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]CC2CCC(O)CC2)ccc1Oc1ccc(F)cc1 ZINC000594992891 1115506133 /nfs/dbraw/zinc/50/61/33/1115506133.db2.gz ZUEBNPPXXCBEGN-UHFFFAOYSA-N 1 0 374.412 4.167 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000595033812 1115510543 /nfs/dbraw/zinc/51/05/43/1115510543.db2.gz DEAULDPMSUYTAS-RZQQEMMASA-N 1 0 370.449 4.422 20 5 FIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(F)F)nc1 ZINC000595031782 1115510765 /nfs/dbraw/zinc/51/07/65/1115510765.db2.gz DSOKNXMGJSTHQW-JTQLQIEISA-N 1 0 355.772 4.474 20 5 FIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)c(C)c1OC ZINC000595052776 1115512469 /nfs/dbraw/zinc/51/24/69/1115512469.db2.gz VTYWYGXZELQDGQ-ZIAGYGMSSA-N 1 0 374.437 4.341 20 5 FIBDRO Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000595100452 1115515857 /nfs/dbraw/zinc/51/58/57/1115515857.db2.gz WACBXYULUICDEX-LJQANCHMSA-N 1 0 354.454 4.153 20 5 FIBDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000595084741 1115517568 /nfs/dbraw/zinc/51/75/68/1115517568.db2.gz ITGXPHLWVKOUFZ-CWFSZBLJSA-N 1 0 368.481 4.052 20 5 FIBDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000575026890 1115530145 /nfs/dbraw/zinc/53/01/45/1115530145.db2.gz FCZCDGDHHFVNIU-YOEHRIQHSA-N 1 0 356.422 4.195 20 5 FIBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)c2ccccc2OC(C)C)c1 ZINC000593021849 1115539320 /nfs/dbraw/zinc/53/93/20/1115539320.db2.gz YWAHBAKLNZQKCG-AWEZNQCLSA-N 1 0 372.421 4.019 20 5 FIBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000595524463 1115540459 /nfs/dbraw/zinc/54/04/59/1115540459.db2.gz UTAOSQWAJHAAAN-LJQANCHMSA-N 1 0 358.413 4.118 20 5 FIBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](CC(C)C)c2cccs2)c1 ZINC000593023036 1115540572 /nfs/dbraw/zinc/54/05/72/1115540572.db2.gz OCCUEIXDEUBREL-HNNXBMFYSA-N 1 0 362.451 4.320 20 5 FIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](CCC1CC1)CC1CC1 ZINC000595871427 1115566625 /nfs/dbraw/zinc/56/66/25/1115566625.db2.gz NNFINPSYZLRJGD-ZDUSSCGKSA-N 1 0 356.426 4.218 20 5 FIBDRO C[NH+](C)C1CCC2(CC1)CCN(c1ccc([N+](=O)[O-])c3cccnc31)CC2 ZINC000596255744 1115581605 /nfs/dbraw/zinc/58/16/05/1115581605.db2.gz SJEIWQHMDFRTNB-UHFFFAOYSA-N 1 0 368.481 4.234 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000597217313 1115648640 /nfs/dbraw/zinc/64/86/40/1115648640.db2.gz CCNUMFMZKYYEOH-VMTBQTDASA-N 1 0 368.433 4.445 20 5 FIBDRO C[C@@H](O)C1([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000597234723 1115649880 /nfs/dbraw/zinc/64/98/80/1115649880.db2.gz PFRRYGCSJPXJRU-GFCCVEGCSA-N 1 0 362.813 4.044 20 5 FIBDRO Cc1noc(C)c1[C@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602573070 1115711598 /nfs/dbraw/zinc/71/15/98/1115711598.db2.gz YBNUIVZBFXJAIW-SECBINFHSA-N 1 0 357.332 4.112 20 5 FIBDRO COc1ccc(C[NH2+]CCC(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061003113 1115747787 /nfs/dbraw/zinc/74/77/87/1115747787.db2.gz NQNDHPBUPZEMCE-UHFFFAOYSA-N 1 0 358.438 4.318 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc(C(F)(F)F)c1 ZINC000598954381 1115773061 /nfs/dbraw/zinc/77/30/61/1115773061.db2.gz DEKUAEZSMQTRGJ-LLVKDONJSA-N 1 0 354.328 4.473 20 5 FIBDRO CCc1ccc([C@@H](NC[C@@H]2CCCC[N@H+](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000599072036 1115787208 /nfs/dbraw/zinc/78/72/08/1115787208.db2.gz WZELYUUUCZYSPF-KKSFZXQISA-N 1 0 371.481 4.161 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC001127196425 1115788504 /nfs/dbraw/zinc/78/85/04/1115788504.db2.gz ARONVAAUXOVRSD-UHFFFAOYSA-N 1 0 367.449 4.102 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)cc1 ZINC000599508223 1115820948 /nfs/dbraw/zinc/82/09/48/1115820948.db2.gz QNOFIYMHMMIADM-UHFFFAOYSA-N 1 0 370.453 4.090 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)c3ccccc3)o2)c(Cl)c1 ZINC000171048810 1115825656 /nfs/dbraw/zinc/82/56/56/1115825656.db2.gz ITXLIMYXSFAGEN-SFHVURJKSA-N 1 0 372.808 4.331 20 5 FIBDRO C/C=C\C[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000599689598 1115836043 /nfs/dbraw/zinc/83/60/43/1115836043.db2.gz JZYKUYLKBPCGIW-LPUOJRKPSA-N 1 0 356.426 4.384 20 5 FIBDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000604074730 1115845928 /nfs/dbraw/zinc/84/59/28/1115845928.db2.gz AENPSYQUDDNQJQ-UHFFFAOYSA-N 1 0 368.437 4.267 20 5 FIBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@H]3CCOC3)cc2[N+](=O)[O-])cc1 ZINC000604419088 1115864938 /nfs/dbraw/zinc/86/49/38/1115864938.db2.gz BWGAUGKICZPYJU-MRXNPFEDSA-N 1 0 358.463 4.181 20 5 FIBDRO COc1cc(C[NH2+]C[C@@H](C)C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000604419142 1115865145 /nfs/dbraw/zinc/86/51/45/1115865145.db2.gz SIBHTOVRFKTBNP-OAHLLOKOSA-N 1 0 370.449 4.318 20 5 FIBDRO COc1ccc([C@H](CNc2ccsc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000604433067 1115865359 /nfs/dbraw/zinc/86/53/59/1115865359.db2.gz FMIQQPBTZREVSP-KRWDZBQOSA-N 1 0 361.467 4.304 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000604470423 1115865878 /nfs/dbraw/zinc/86/58/78/1115865878.db2.gz XATBDZFSXHBVHS-HNNXBMFYSA-N 1 0 367.449 4.387 20 5 FIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)C2CCC(F)(F)CC2)cccc1[N+](=O)[O-] ZINC000594044388 1115977824 /nfs/dbraw/zinc/97/78/24/1115977824.db2.gz PJKCZBQAXDOKIJ-CHWSQXEVSA-N 1 0 369.412 4.034 20 5 FIBDRO COc1ccc(OCC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000608835644 1116131002 /nfs/dbraw/zinc/13/10/02/1116131002.db2.gz INARZPKLBNKMFT-UHFFFAOYSA-N 1 0 368.389 4.032 20 5 FIBDRO CN(C)[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1 ZINC000608835502 1116131013 /nfs/dbraw/zinc/13/10/13/1116131013.db2.gz OMFMKXDCFGPECO-FQEVSTJZSA-N 1 0 365.433 4.247 20 5 FIBDRO COc1ccc(OCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000608835922 1116131303 /nfs/dbraw/zinc/13/13/03/1116131303.db2.gz ZAXMMJMOQPROQI-UHFFFAOYSA-N 1 0 368.389 4.032 20 5 FIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c2c(c1)COCO2 ZINC000608977463 1116139461 /nfs/dbraw/zinc/13/94/61/1116139461.db2.gz LJIHJLWSZVFSSJ-QGZVFWFLSA-N 1 0 368.433 4.231 20 5 FIBDRO C[C@]1([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCOC1 ZINC000534449949 1116202714 /nfs/dbraw/zinc/20/27/14/1116202714.db2.gz AMRFIZANAPXGII-SFHVURJKSA-N 1 0 362.813 4.309 20 5 FIBDRO CN1Cc2ccccc2[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000534531195 1116210922 /nfs/dbraw/zinc/21/09/22/1116210922.db2.gz OXVDKKFRDTWJFH-HXUWFJFHSA-N 1 0 363.417 4.131 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000535253326 1116287321 /nfs/dbraw/zinc/28/73/21/1116287321.db2.gz SLDFMTYVGCXGPE-GFCCVEGCSA-N 1 0 356.357 4.100 20 5 FIBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000539545884 1116341950 /nfs/dbraw/zinc/34/19/50/1116341950.db2.gz SSNURSJIVCYCHU-OLZOCXBDSA-N 1 0 364.829 4.413 20 5 FIBDRO C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311576627 1116369494 /nfs/dbraw/zinc/36/94/94/1116369494.db2.gz VYLIKVJGSGTKSO-NVXWUHKLSA-N 1 0 373.884 4.248 20 5 FIBDRO COc1cc(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)c([N+](=O)[O-])cc1OC ZINC000539827609 1116387341 /nfs/dbraw/zinc/38/73/41/1116387341.db2.gz MBPQKEMVTSFMOX-UHFFFAOYSA-N 1 0 374.412 4.163 20 5 FIBDRO CC(C)c1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000539899597 1117740916 /nfs/dbraw/zinc/74/09/16/1117740916.db2.gz GXFLGOZHHPMGPQ-XLIONFOSSA-N 1 0 357.498 4.167 20 5 FIBDRO CCC(CC)(C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])c1ccccc1 ZINC000462746049 1117748628 /nfs/dbraw/zinc/74/86/28/1117748628.db2.gz ORZXLVGJZZBBHS-UHFFFAOYSA-N 1 0 358.438 4.157 20 5 FIBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000462763852 1117754720 /nfs/dbraw/zinc/75/47/20/1117754720.db2.gz PNFABWLZYIAIKE-OALUTQOASA-N 1 0 356.422 4.292 20 5 FIBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C12CCCC2 ZINC000462758571 1117758865 /nfs/dbraw/zinc/75/88/65/1117758865.db2.gz UZHDLBTVJYZYSP-CVEARBPZSA-N 1 0 370.396 4.024 20 5 FIBDRO CC1CC[NH+](CCCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000462783454 1117765485 /nfs/dbraw/zinc/76/54/85/1117765485.db2.gz OVTCLGPHFGLZEP-UHFFFAOYSA-N 1 0 357.401 4.120 20 5 FIBDRO COc1cc(NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000462790566 1117773980 /nfs/dbraw/zinc/77/39/80/1117773980.db2.gz OJKRJVDEUBUTLW-INIZCTEOSA-N 1 0 369.465 4.447 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCN(c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000462814899 1117792709 /nfs/dbraw/zinc/79/27/09/1117792709.db2.gz QHYGFIBATUPKNY-HZPDHXFCSA-N 1 0 357.429 4.219 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCN(c3ccccc3F)C1)CCC2 ZINC000462820326 1117796165 /nfs/dbraw/zinc/79/61/65/1117796165.db2.gz XXWGROILBVJAEX-MGPUTAFESA-N 1 0 369.440 4.227 20 5 FIBDRO C[N@H+](CCc1cccc(Br)c1)Cc1csc([N+](=O)[O-])c1 ZINC000462825567 1117798890 /nfs/dbraw/zinc/79/88/90/1117798890.db2.gz LKSDVESNRRVRAP-UHFFFAOYSA-N 1 0 355.257 4.093 20 5 FIBDRO CCc1ccc([C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000462832420 1117802588 /nfs/dbraw/zinc/80/25/88/1117802588.db2.gz HMGGRSGZCKKMGJ-TYCQWZJGSA-N 1 0 370.449 4.387 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCCF)o2)c(Br)c1 ZINC000462851931 1117811844 /nfs/dbraw/zinc/81/18/44/1117811844.db2.gz BWMMQSSCQCATJU-UHFFFAOYSA-N 1 0 371.206 4.457 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000462847052 1117817953 /nfs/dbraw/zinc/81/79/53/1117817953.db2.gz XWOUWPJPMNDJJW-BFYDXBDKSA-N 1 0 350.484 4.013 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCOc2c(F)ccc(F)c21)C1CC1 ZINC000462948608 1117879074 /nfs/dbraw/zinc/87/90/74/1117879074.db2.gz WPABXZWWYYQFAD-IAGOWNOFSA-N 1 0 374.387 4.308 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000540147972 1117899022 /nfs/dbraw/zinc/89/90/22/1117899022.db2.gz QXSPJQFHNJQAAL-SJORKVTESA-N 1 0 368.481 4.174 20 5 FIBDRO COc1ccc(OC)c(CCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000540147949 1117899175 /nfs/dbraw/zinc/89/91/75/1117899175.db2.gz ZYBNNRUCPVEVSP-HNNXBMFYSA-N 1 0 358.438 4.204 20 5 FIBDRO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540151635 1117906164 /nfs/dbraw/zinc/90/61/64/1117906164.db2.gz SVKHGJCUPFPBPF-ZUZCIYMTSA-N 1 0 374.384 4.287 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000540176081 1117915391 /nfs/dbraw/zinc/91/53/91/1117915391.db2.gz PJGCVNYKQUSBSX-CQSZACIVSA-N 1 0 368.462 4.315 20 5 FIBDRO Cc1cnc(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000463052839 1117942036 /nfs/dbraw/zinc/94/20/36/1117942036.db2.gz IWEOHNLJZQITNB-MRXNPFEDSA-N 1 0 354.454 4.285 20 5 FIBDRO Cc1cnc(NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000463054818 1117949634 /nfs/dbraw/zinc/94/96/34/1117949634.db2.gz HRNDULJJYHTJID-OAHLLOKOSA-N 1 0 354.454 4.142 20 5 FIBDRO CCOc1ccccc1[C@H](CC)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000540351257 1117996307 /nfs/dbraw/zinc/99/63/07/1117996307.db2.gz GUCIXYZOGPYUSF-SFHVURJKSA-N 1 0 371.437 4.063 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000540343052 1118002623 /nfs/dbraw/zinc/00/26/23/1118002623.db2.gz MHOIQOWFCJELTG-IBGZPJMESA-N 1 0 355.438 4.219 20 5 FIBDRO CC[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000463207310 1118021751 /nfs/dbraw/zinc/02/17/51/1118021751.db2.gz RVNYADMCUFYBOD-JOCHJYFZSA-N 1 0 367.493 4.343 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000540388495 1118023412 /nfs/dbraw/zinc/02/34/12/1118023412.db2.gz QOMXAZNKPWYYBU-UTKZUKDTSA-N 1 0 370.449 4.249 20 5 FIBDRO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000540588594 1118145131 /nfs/dbraw/zinc/14/51/31/1118145131.db2.gz ATDHZGYMLQHNEJ-RNODOKPDSA-N 1 0 354.406 4.168 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)CC(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000463733029 1118303315 /nfs/dbraw/zinc/30/33/15/1118303315.db2.gz UETZJBNMQYYYEA-JTQLQIEISA-N 1 0 358.316 4.294 20 5 FIBDRO C[C@H]1CC[C@@]2(CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000541019601 1118356356 /nfs/dbraw/zinc/35/63/56/1118356356.db2.gz FJXIPSFLPBLOTB-MGPUTAFESA-N 1 0 355.438 4.304 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H](NCCC[NH+]2CCCCC2)c2ccccc2)c1 ZINC000491309915 1118417497 /nfs/dbraw/zinc/41/74/97/1118417497.db2.gz ZXBWPCXEPCAHAP-NRFANRHFSA-N 1 0 353.466 4.150 20 5 FIBDRO COc1ccccc1[C@@H]1CCCN1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464105668 1118446554 /nfs/dbraw/zinc/44/65/54/1118446554.db2.gz WXAWEGMOURLFIK-INIZCTEOSA-N 1 0 360.385 4.088 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)cc1 ZINC000541543789 1118549404 /nfs/dbraw/zinc/54/94/04/1118549404.db2.gz NHOXTLBNMVNFAS-FQEVSTJZSA-N 1 0 351.381 4.051 20 5 FIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000464706297 1118659128 /nfs/dbraw/zinc/65/91/28/1118659128.db2.gz DCJJRPYXHVBMFD-GOSISDBHSA-N 1 0 367.449 4.008 20 5 FIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000464718588 1118664363 /nfs/dbraw/zinc/66/43/63/1118664363.db2.gz DHGGVWLDQCRVKI-LJQANCHMSA-N 1 0 355.438 4.179 20 5 FIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000464706299 1118666719 /nfs/dbraw/zinc/66/67/19/1118666719.db2.gz DCJJRPYXHVBMFD-SFHVURJKSA-N 1 0 367.449 4.008 20 5 FIBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)cccc1[N+](=O)[O-] ZINC000122463117 1118669942 /nfs/dbraw/zinc/66/99/42/1118669942.db2.gz IKTRVOJMTMPADM-OAHLLOKOSA-N 1 0 367.449 4.493 20 5 FIBDRO Cc1ccc(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]2CCCO2)cc1 ZINC000464782558 1118693484 /nfs/dbraw/zinc/69/34/84/1118693484.db2.gz XYKIDDNGFYGLBH-FQEVSTJZSA-N 1 0 354.450 4.127 20 5 FIBDRO C[C@@H](CCc1ccccc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464784042 1118694275 /nfs/dbraw/zinc/69/42/75/1118694275.db2.gz BMRAACJIFFVQQB-KRWDZBQOSA-N 1 0 354.450 4.459 20 5 FIBDRO COc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000492005006 1119002235 /nfs/dbraw/zinc/00/22/35/1119002235.db2.gz YAEYPUHSGRDGHX-UHFFFAOYSA-N 1 0 366.364 4.230 20 5 FIBDRO CC(C)c1nnc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000492192722 1119043148 /nfs/dbraw/zinc/04/31/48/1119043148.db2.gz IXHKFGCMGFKRDB-UHFFFAOYSA-N 1 0 372.450 4.162 20 5 FIBDRO CCOc1cc(CN2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000492466611 1119098896 /nfs/dbraw/zinc/09/88/96/1119098896.db2.gz ZEJBLFXVGNQNNO-VLIAUNLRSA-N 1 0 374.412 4.095 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)cc1Cl ZINC000761511771 1119405212 /nfs/dbraw/zinc/40/52/12/1119405212.db2.gz PDQZUBXKIPPARG-SFHVURJKSA-N 1 0 360.841 4.120 20 5 FIBDRO CC(C)(C)c1nc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cs1 ZINC000761527050 1119409596 /nfs/dbraw/zinc/40/95/96/1119409596.db2.gz MBBAAKJTCLDMEB-UHFFFAOYSA-N 1 0 353.875 4.335 20 5 FIBDRO COC1CCC(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000493308530 1119442923 /nfs/dbraw/zinc/44/29/23/1119442923.db2.gz ZDXSHANUMAUBFQ-VYHPPPRESA-N 1 0 354.450 4.479 20 5 FIBDRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152638438 1119473681 /nfs/dbraw/zinc/47/36/81/1119473681.db2.gz MVOIKIOZLRMHIE-UHFFFAOYSA-N 1 0 359.813 4.096 20 5 FIBDRO CC(C)OC1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000130283024 1119810469 /nfs/dbraw/zinc/81/04/69/1119810469.db2.gz RZVGKNGDFZFHIS-UHFFFAOYSA-N 1 0 358.385 4.022 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCc2c[nH]c3ncccc23)c2ccccc2)c1 ZINC000494746624 1120119414 /nfs/dbraw/zinc/11/94/14/1120119414.db2.gz NPKHWHYLKBKAOQ-NRFANRHFSA-N 1 0 372.428 4.393 20 5 FIBDRO C[C@@H](CCO)C1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000494948624 1120386533 /nfs/dbraw/zinc/38/65/33/1120386533.db2.gz IUOCHZYCDSECIO-LAUBAEHRSA-N 1 0 368.477 4.463 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000494942206 1120391803 /nfs/dbraw/zinc/39/18/03/1120391803.db2.gz PYQGQDRKUACZSP-LIRRHRJNSA-N 1 0 374.412 4.000 20 5 FIBDRO Cc1c(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000494980283 1120407961 /nfs/dbraw/zinc/40/79/61/1120407961.db2.gz PKYHVNULWKLPOI-BEFAXECRSA-N 1 0 358.413 4.300 20 5 FIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)c1 ZINC000495085429 1120461180 /nfs/dbraw/zinc/46/11/80/1120461180.db2.gz OIRNCSOTWIMHDK-UZLBHIALSA-N 1 0 358.413 4.034 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)CCC2 ZINC000193323783 1120695924 /nfs/dbraw/zinc/69/59/24/1120695924.db2.gz MAWHOCISOKDYJH-XKQJLSEDSA-N 1 0 372.387 4.045 20 5 FIBDRO C[C@@H]([NH2+]CCNc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000495427760 1120803052 /nfs/dbraw/zinc/80/30/52/1120803052.db2.gz SNAWFESFRQFXSS-GFCCVEGCSA-N 1 0 364.243 4.120 20 5 FIBDRO COc1ccc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000495427161 1120803225 /nfs/dbraw/zinc/80/32/25/1120803225.db2.gz POVFFAFXJJAGIS-LBPRGKRZSA-N 1 0 364.829 4.159 20 5 FIBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000915163820 1120849871 /nfs/dbraw/zinc/84/98/71/1120849871.db2.gz DAZCSRZEIMZYNV-UHFFFAOYSA-N 1 0 373.840 4.486 20 5 FIBDRO CC(C)[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000732567855 1121079862 /nfs/dbraw/zinc/07/98/62/1121079862.db2.gz KNPUZKZAGXXFBK-UHFFFAOYSA-N 1 0 359.392 4.170 20 5 FIBDRO CC(=O)c1ccc(NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000488065446 1121358827 /nfs/dbraw/zinc/35/88/27/1121358827.db2.gz KTMLNCJUQQDKBY-CQSZACIVSA-N 1 0 355.438 4.339 20 5 FIBDRO C[C@@H]1C[C@@H](N(C)c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000301452187 1121979637 /nfs/dbraw/zinc/97/96/37/1121979637.db2.gz XQNMYBPHNVFKEA-ZJUUUORDSA-N 1 0 365.783 4.186 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C(F)(F)F ZINC000301472557 1122156720 /nfs/dbraw/zinc/15/67/20/1122156720.db2.gz KYQWHLMEYOXMFX-CYBMUJFWSA-N 1 0 357.376 4.068 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C[C@H](O)c2cccs2)cc1[N+](=O)[O-] ZINC000154298834 1122204886 /nfs/dbraw/zinc/20/48/86/1122204886.db2.gz IWTISKPMVVADQF-WWGRRREGSA-N 1 0 364.467 4.218 20 5 FIBDRO Cc1cc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)ccc1[N+](=O)[O-] ZINC000301554936 1122219779 /nfs/dbraw/zinc/21/97/79/1122219779.db2.gz HFWQURZZLADPRJ-QGZVFWFLSA-N 1 0 369.465 4.215 20 5 FIBDRO Cc1ccc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c([N+](=O)[O-])c1 ZINC000301599890 1122238423 /nfs/dbraw/zinc/23/84/23/1122238423.db2.gz YOJMMCQFPMQIFI-KRWDZBQOSA-N 1 0 369.465 4.215 20 5 FIBDRO CCCc1ccc(CNc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)cc1 ZINC001168635902 1122260295 /nfs/dbraw/zinc/26/02/95/1122260295.db2.gz PCOGNCJNMLTEOT-UHFFFAOYSA-N 1 0 357.454 4.100 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 ZINC000154526653 1122443516 /nfs/dbraw/zinc/44/35/16/1122443516.db2.gz QCLJUFNPOXPNAK-RTWAWAEBSA-N 1 0 365.433 4.337 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000556895569 1123171030 /nfs/dbraw/zinc/17/10/30/1123171030.db2.gz UWUXOGPEASRUSJ-NBVRZTHBSA-N 1 0 366.461 4.024 20 5 FIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc(-c2ccsc2)s1 ZINC000556996984 1123304334 /nfs/dbraw/zinc/30/43/34/1123304334.db2.gz DRWYJXOESBZYPT-UHFFFAOYSA-N 1 0 359.476 4.454 20 5 FIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc4ncccc4c3)CC2)cc1 ZINC000130732054 1123534932 /nfs/dbraw/zinc/53/49/32/1123534932.db2.gz SFSBWIAZAHUTRU-UHFFFAOYSA-N 1 0 363.417 4.186 20 5 FIBDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C1 ZINC000076171318 1123577798 /nfs/dbraw/zinc/57/77/98/1123577798.db2.gz UXWKBGOTEOAFKF-UHFFFAOYSA-N 1 0 367.449 4.138 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000609705231 1123803060 /nfs/dbraw/zinc/80/30/60/1123803060.db2.gz ITAFOYWYWROVOG-UHFFFAOYSA-N 1 0 365.905 4.336 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609705025 1123803213 /nfs/dbraw/zinc/80/32/13/1123803213.db2.gz HSFJJDNTLJGZAB-HZPDHXFCSA-N 1 0 365.905 4.335 20 5 FIBDRO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000609705229 1123803675 /nfs/dbraw/zinc/80/36/75/1123803675.db2.gz ISJDNCABOJZHLH-KRWDZBQOSA-N 1 0 360.841 4.464 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)c2cccc(F)c2)s1 ZINC000609708737 1123804307 /nfs/dbraw/zinc/80/43/07/1123804307.db2.gz UDDZPAWMPCSGDR-KRWDZBQOSA-N 1 0 372.421 4.286 20 5 FIBDRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000609762690 1123834864 /nfs/dbraw/zinc/83/48/64/1123834864.db2.gz PFFUVFQOUGTJEK-IBGZPJMESA-N 1 0 369.421 4.200 20 5 FIBDRO C[C@@H]1C[C@@H](N(C)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000609964792 1123898956 /nfs/dbraw/zinc/89/89/56/1123898956.db2.gz MDICQIURRBAQBO-QAPCUYQASA-N 1 0 357.429 4.223 20 5 FIBDRO C[C@H]1C[C@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000610003578 1123914214 /nfs/dbraw/zinc/91/42/14/1123914214.db2.gz XERCDIVENPXBQU-FUHWJXTLSA-N 1 0 371.456 4.219 20 5 FIBDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237579552 1123988228 /nfs/dbraw/zinc/98/82/28/1123988228.db2.gz YZWXJUMNGROJDW-CQSZACIVSA-N 1 0 370.478 4.254 20 5 FIBDRO Cc1ccc(C[NH2+]CCCOc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000237767159 1124064204 /nfs/dbraw/zinc/06/42/04/1124064204.db2.gz BTDCEMYBNPSDDP-UHFFFAOYSA-N 1 0 351.406 4.010 20 5 FIBDRO COc1ccc2[nH]cc(CC[NH2+]C/C(C)=C\c3cccc([N+](=O)[O-])c3)c2c1 ZINC000615724160 1124108789 /nfs/dbraw/zinc/10/87/89/1124108789.db2.gz SJWBASIIAIGKTF-GDNBJRDFSA-N 1 0 365.433 4.320 20 5 FIBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1 ZINC000765849370 1124192934 /nfs/dbraw/zinc/19/29/34/1124192934.db2.gz PRBBKFOAPVCEFX-FZKQIMNGSA-N 1 0 369.446 4.103 20 5 FIBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000765850688 1124213972 /nfs/dbraw/zinc/21/39/72/1124213972.db2.gz ZJUPVPXYHRSIIK-JKSUJKDBSA-N 1 0 364.854 4.108 20 5 FIBDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)cn1 ZINC000153687590 1124242338 /nfs/dbraw/zinc/24/23/38/1124242338.db2.gz OMEMHYHOGIILIS-CQSZACIVSA-N 1 0 359.426 4.028 20 5 FIBDRO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)n1 ZINC000542864609 1124519843 /nfs/dbraw/zinc/51/98/43/1124519843.db2.gz FVDBVVQTPANDGZ-MRXNPFEDSA-N 1 0 354.454 4.244 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000090845053 1125095934 /nfs/dbraw/zinc/09/59/34/1125095934.db2.gz WJGKZIJOEUFXHD-VBQJREDUSA-N 1 0 356.422 4.209 20 5 FIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000181763491 1125128336 /nfs/dbraw/zinc/12/83/36/1125128336.db2.gz NKNJDPNEUJLWSY-LLVKDONJSA-N 1 0 365.792 4.067 20 5 FIBDRO COC(=O)c1cc2cc(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)ccc2o1 ZINC000181809082 1125141846 /nfs/dbraw/zinc/14/18/46/1125141846.db2.gz JOXFZBPJLDOCSA-ZDUSSCGKSA-N 1 0 368.389 4.287 20 5 FIBDRO CC1(C)CC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC(C)(C)[NH2+]1 ZINC000113314602 1125149078 /nfs/dbraw/zinc/14/90/78/1125149078.db2.gz DKBUCRMXRVZEHE-UHFFFAOYSA-N 1 0 374.510 4.117 20 5 FIBDRO Cc1sc(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)cc1[N+](=O)[O-] ZINC000130941296 1125165472 /nfs/dbraw/zinc/16/54/72/1125165472.db2.gz MPXMPPWCDZWAHC-UHFFFAOYSA-N 1 0 359.451 4.189 20 5 FIBDRO Cc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c(N2CCCC2)n1 ZINC000618574093 1125213212 /nfs/dbraw/zinc/21/32/12/1125213212.db2.gz QZZJKQULAXAVNG-FQEVSTJZSA-N 1 0 366.465 4.066 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000182164684 1125269299 /nfs/dbraw/zinc/26/92/99/1125269299.db2.gz GJHCJYQYOUVOEG-YXKWSERDSA-N 1 0 362.376 4.362 20 5 FIBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccncc21 ZINC000312139499 1125273397 /nfs/dbraw/zinc/27/33/97/1125273397.db2.gz OJXHTIOSRLDBNS-KRWDZBQOSA-N 1 0 362.433 4.220 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000619056285 1125439722 /nfs/dbraw/zinc/43/97/22/1125439722.db2.gz KHNBMJAJDBBLKF-MRXNPFEDSA-N 1 0 368.481 4.377 20 5 FIBDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000052212629 221036643 /nfs/dbraw/zinc/03/66/43/221036643.db2.gz ABNRMLPRUXWNAU-SFHVURJKSA-N 1 0 364.405 4.290 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000096967811 222146361 /nfs/dbraw/zinc/14/63/61/222146361.db2.gz NIBMDRZBFHATFC-INIZCTEOSA-N 1 0 367.449 4.142 20 5 FIBDRO COc1ccc(CCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000481411950 567905467 /nfs/dbraw/zinc/90/54/67/567905467.db2.gz ITNGIRPXQUGMJX-HNNXBMFYSA-N 1 0 358.438 4.204 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000481539513 568027874 /nfs/dbraw/zinc/02/78/74/568027874.db2.gz YUBFPOPXPKCBNM-HOTGVXAUSA-N 1 0 357.429 4.219 20 5 FIBDRO COc1cc(C[N@H+](C2CC2)C2CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000541872437 568039575 /nfs/dbraw/zinc/03/95/75/568039575.db2.gz LBYXIMVYXASEJC-UHFFFAOYSA-N 1 0 370.396 4.154 20 5 FIBDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000481541909 568044459 /nfs/dbraw/zinc/04/44/59/568044459.db2.gz ITTDLNCZUHKIOR-YWZLYKJASA-N 1 0 357.429 4.301 20 5 FIBDRO CCSCC[C@H](C)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000072901559 568056844 /nfs/dbraw/zinc/05/68/44/568056844.db2.gz XWGJWSKPPQLTII-AWEZNQCLSA-N 1 0 363.483 4.256 20 5 FIBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000563113133 568205678 /nfs/dbraw/zinc/20/56/78/568205678.db2.gz LUQNAFYFAZVMOK-JOCHJYFZSA-N 1 0 373.500 4.238 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000568933742 568253522 /nfs/dbraw/zinc/25/35/22/568253522.db2.gz RJUIENSMWASPLR-YXQCLYQKSA-N 1 0 364.445 4.113 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000569019693 568272616 /nfs/dbraw/zinc/27/26/16/568272616.db2.gz NJQMDOCFZIJVPS-YSIASYRMSA-N 1 0 356.397 4.231 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000569133828 568286838 /nfs/dbraw/zinc/28/68/38/568286838.db2.gz PQQJOXCYBSAJCX-MBSJSRAVSA-N 1 0 360.841 4.017 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCOC3)o2)c1 ZINC000517937067 568340314 /nfs/dbraw/zinc/34/03/14/568340314.db2.gz KZIVHBJKZWUOMY-QFBILLFUSA-N 1 0 356.422 4.246 20 5 FIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000569785473 568424634 /nfs/dbraw/zinc/42/46/34/568424634.db2.gz YXKAPRKBYKUFPA-MRXNPFEDSA-N 1 0 367.449 4.241 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCOC[C@H](C4CCC4)C3)o2)c1 ZINC000430142929 1079594904 /nfs/dbraw/zinc/59/49/04/1079594904.db2.gz AYOSCLHZTUPJME-QGZVFWFLSA-N 1 0 356.422 4.103 20 5 FIBDRO COCc1cccc(OCC2(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000579745494 1079604985 /nfs/dbraw/zinc/60/49/85/1079604985.db2.gz SZDVAUOBZGDCJN-INIZCTEOSA-N 1 0 370.449 4.251 20 5 FIBDRO O=C(C[NH2+][C@H]1CCC[C@@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000133695889 1079852526 /nfs/dbraw/zinc/85/25/26/1079852526.db2.gz POWXQIKUAUWNHE-WBVHZDCISA-N 1 0 373.840 4.113 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(Cl)ccc2Br)cc1 ZINC000097498736 1080026339 /nfs/dbraw/zinc/02/63/39/1080026339.db2.gz GAOQTTOCOHYQPD-UHFFFAOYSA-N 1 0 369.646 4.343 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000430227454 1080031006 /nfs/dbraw/zinc/03/10/06/1080031006.db2.gz PNLWPOFNEJTKPS-LLVKDONJSA-N 1 0 352.337 4.056 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000118787569 1080056526 /nfs/dbraw/zinc/05/65/26/1080056526.db2.gz YKEIOUDSYVNRMJ-DLBZAZTESA-N 1 0 374.485 4.022 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCNc3ccccc3)o2)cc1 ZINC000609851364 1080534238 /nfs/dbraw/zinc/53/42/38/1080534238.db2.gz BHUNOKCCYUPHPD-UHFFFAOYSA-N 1 0 351.406 4.447 20 5 FIBDRO CCC[C@](C)(CO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000609851401 1080555882 /nfs/dbraw/zinc/55/58/82/1080555882.db2.gz GFYQREZYTZRTRE-HXUWFJFHSA-N 1 0 357.454 4.003 20 5 FIBDRO O=C(CC[N@@H+](Cc1ccccc1)CC1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC001167158696 1080764975 /nfs/dbraw/zinc/76/49/75/1080764975.db2.gz WOQCMMOCWSUUAE-UHFFFAOYSA-N 1 0 367.449 4.226 20 5 FIBDRO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCc2ccccc21 ZINC001167205858 1080843929 /nfs/dbraw/zinc/84/39/29/1080843929.db2.gz KBWVNBDNZVBIHB-LJQANCHMSA-N 1 0 350.422 4.371 20 5 FIBDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000610271397 1080999641 /nfs/dbraw/zinc/99/96/41/1080999641.db2.gz USGIYPJFCOJQPQ-KRWDZBQOSA-N 1 0 362.401 4.023 20 5 FIBDRO O=[N+]([O-])c1cnc(N[C@H](C[NH+]2CCCCC2)c2ccccc2)c(Cl)c1 ZINC000610279224 1081132950 /nfs/dbraw/zinc/13/29/50/1081132950.db2.gz AYVXHOUAHXPHTO-QGZVFWFLSA-N 1 0 360.845 4.282 20 5 FIBDRO CCS[C@@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000176982740 1081176970 /nfs/dbraw/zinc/17/69/70/1081176970.db2.gz JBZXNOATNYUABS-SJLPKXTDSA-N 1 0 374.510 4.149 20 5 FIBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001167306593 1081243918 /nfs/dbraw/zinc/24/39/18/1081243918.db2.gz HRRZIYMUOUMRHS-SFHVURJKSA-N 1 0 370.449 4.252 20 5 FIBDRO CC[C@H](C)[C@H](C)[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC001167356322 1081616988 /nfs/dbraw/zinc/61/69/88/1081616988.db2.gz MCIKWTDSHBZCIQ-RYUDHWBXSA-N 1 0 353.850 4.086 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000610390590 1081716857 /nfs/dbraw/zinc/71/68/57/1081716857.db2.gz DQLOSWQRCNTCCZ-UHFFFAOYSA-N 1 0 373.840 4.164 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)o2)c(Cl)c1 ZINC000579475032 1081744187 /nfs/dbraw/zinc/74/41/87/1081744187.db2.gz BQTCSEWVGMADRO-PXAZEXFGSA-N 1 0 362.813 4.119 20 5 FIBDRO C[C@H](N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610420445 1081835196 /nfs/dbraw/zinc/83/51/96/1081835196.db2.gz IAWPQWRURWCKGM-UWJYYQICSA-N 1 0 353.466 4.473 20 5 FIBDRO C[C@@H]([NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1)c1cccc([N+](=O)[O-])c1 ZINC000610420487 1081839913 /nfs/dbraw/zinc/83/99/13/1081839913.db2.gz VMMMYOZPSCLVQA-DNVCBOLYSA-N 1 0 374.444 4.260 20 5 FIBDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000119004860 1081868216 /nfs/dbraw/zinc/86/82/16/1081868216.db2.gz ORSMVOYKXZBCAQ-MRXNPFEDSA-N 1 0 366.364 4.446 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000579610671 1081919530 /nfs/dbraw/zinc/91/95/30/1081919530.db2.gz AYHFIYGJHROLKE-BPAFIMBUSA-N 1 0 356.397 4.231 20 5 FIBDRO C[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000237569202 1082087666 /nfs/dbraw/zinc/08/76/66/1082087666.db2.gz QOBBJNRDNFQZPX-MAUKXSAKSA-N 1 0 373.884 4.391 20 5 FIBDRO Cc1ccc(C[N@H+](CC(C)C)C[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001167439535 1082235717 /nfs/dbraw/zinc/23/57/17/1082235717.db2.gz ZCIPTLVTAFVZHA-FQEVSTJZSA-N 1 0 360.429 4.234 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000178020535 1082589647 /nfs/dbraw/zinc/58/96/47/1082589647.db2.gz CHSUERDYNBHYNT-HUUCEWRRSA-N 1 0 356.422 4.476 20 5 FIBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2cccc(C)c2C)c([N+](=O)[O-])c1 ZINC001167464511 1082596545 /nfs/dbraw/zinc/59/65/45/1082596545.db2.gz NHUAUYCVZWOCCM-IBGZPJMESA-N 1 0 370.449 4.436 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000537934764 1082618741 /nfs/dbraw/zinc/61/87/41/1082618741.db2.gz CKVPFSUBPMUWJF-HLLBOEOZSA-N 1 0 352.500 4.259 20 5 FIBDRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910096 1082868802 /nfs/dbraw/zinc/86/88/02/1082868802.db2.gz XHQXPDOFGPIPJF-CYBMUJFWSA-N 1 0 368.462 4.315 20 5 FIBDRO COc1ccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] ZINC000477540699 1082906477 /nfs/dbraw/zinc/90/64/77/1082906477.db2.gz XFOLMVSHICIUEZ-UHFFFAOYSA-N 1 0 366.339 4.401 20 5 FIBDRO CC(C)[NH+](CCSCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000161044113 1082935121 /nfs/dbraw/zinc/93/51/21/1082935121.db2.gz WBPPORZLBISNBF-UHFFFAOYSA-N 1 0 373.906 4.039 20 5 FIBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001167487148 1082956050 /nfs/dbraw/zinc/95/60/50/1082956050.db2.gz GKDZKSQJBPEABD-CTNGQTDRSA-N 1 0 356.466 4.280 20 5 FIBDRO Cc1c([C@H](C)[NH2+]CCc2ccccc2OC(F)F)cccc1[N+](=O)[O-] ZINC000471783271 1082987054 /nfs/dbraw/zinc/98/70/54/1082987054.db2.gz WGNRQVPUNCHCBV-ZDUSSCGKSA-N 1 0 350.365 4.398 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CCC(O)(CC)CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000471785990 1082987844 /nfs/dbraw/zinc/98/78/44/1082987844.db2.gz GITNUPDFLRDYKJ-IBGZPJMESA-N 1 0 360.454 4.370 20 5 FIBDRO CC[C@H]([NH2+]C1CCN(c2ccccc2OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178231503 1082992530 /nfs/dbraw/zinc/99/25/30/1082992530.db2.gz UZBUSFMQOXFPHE-IBGZPJMESA-N 1 0 369.465 4.313 20 5 FIBDRO CCOc1cc(C[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)ccc1[N+](=O)[O-] ZINC000276897342 1083348310 /nfs/dbraw/zinc/34/83/10/1083348310.db2.gz LDPQQASELGMCRB-ZDUSSCGKSA-N 1 0 360.458 4.104 20 5 FIBDRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000179623366 1083573676 /nfs/dbraw/zinc/57/36/76/1083573676.db2.gz BFZZCUOWPNUNPI-GFCCVEGCSA-N 1 0 364.829 4.425 20 5 FIBDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610824544 1083743750 /nfs/dbraw/zinc/74/37/50/1083743750.db2.gz IXJVLGRKOPKYIC-RTBURBONSA-N 1 0 368.433 4.038 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](Cn2cccn2)c2ccccc2)cc1[N+](=O)[O-] ZINC000610821888 1083749010 /nfs/dbraw/zinc/74/90/10/1083749010.db2.gz MJWVHJUBGJYZDN-APWZRJJASA-N 1 0 350.422 4.192 20 5 FIBDRO Cc1nc(C(F)(F)F)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000548927601 1083772839 /nfs/dbraw/zinc/77/28/39/1083772839.db2.gz JXJKLPYZCSWMAQ-UHFFFAOYSA-N 1 0 359.373 4.053 20 5 FIBDRO Cc1ccc([C@@H](C)C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000611560903 1084086253 /nfs/dbraw/zinc/08/62/53/1084086253.db2.gz BPRSVKDPBNHIPR-OXJNMPFZSA-N 1 0 364.449 4.119 20 5 FIBDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000389317580 1084116763 /nfs/dbraw/zinc/11/67/63/1084116763.db2.gz NRPPZWYQJNVPPS-ZDUSSCGKSA-N 1 0 363.255 4.121 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)c3ccsc3)s2)cc1 ZINC000472064091 1084215007 /nfs/dbraw/zinc/21/50/07/1084215007.db2.gz QZSXBSAQHPBBPR-MRXNPFEDSA-N 1 0 360.460 4.208 20 5 FIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000612954726 1084228013 /nfs/dbraw/zinc/22/80/13/1084228013.db2.gz OLEPOMISZNOFBO-IKKMQULASA-N 1 0 374.466 4.171 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCCNc4ccccc43)c2c1 ZINC000580120639 1084372143 /nfs/dbraw/zinc/37/21/43/1084372143.db2.gz GIRLLSXWOVTECD-IBGZPJMESA-N 1 0 350.422 4.155 20 5 FIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000580606139 1084451525 /nfs/dbraw/zinc/45/15/25/1084451525.db2.gz RFZIRACARMCWJD-UHFFFAOYSA-N 1 0 374.485 4.076 20 5 FIBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C12CCCCC2 ZINC001167539409 1084493140 /nfs/dbraw/zinc/49/31/40/1084493140.db2.gz MQIIWLUUIIIFGX-ZWKOTPCHSA-N 1 0 350.434 4.294 20 5 FIBDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000581262423 1084526560 /nfs/dbraw/zinc/52/65/60/1084526560.db2.gz XBDLSQQHSPBPEA-GOSISDBHSA-N 1 0 353.422 4.111 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CC[C@H](F)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000581432668 1084545327 /nfs/dbraw/zinc/54/53/27/1084545327.db2.gz GRLVWBPHWXFHLW-IRXDYDNUSA-N 1 0 374.412 4.163 20 5 FIBDRO CC(=O)c1cc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000582139707 1084666518 /nfs/dbraw/zinc/66/65/18/1084666518.db2.gz XQEYNWIXBFGFAM-MRXNPFEDSA-N 1 0 373.497 4.278 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)o1 ZINC000539897042 1084693000 /nfs/dbraw/zinc/69/30/00/1084693000.db2.gz XWYSYPLQAJPZBQ-HZPDHXFCSA-N 1 0 356.422 4.103 20 5 FIBDRO Cc1ccc(-c2cnc(CN(C)CCc3ccccc3[N+](=O)[O-])o2)cc1 ZINC000511095491 1084814840 /nfs/dbraw/zinc/81/48/40/1084814840.db2.gz KIEHJDLFSQNCQS-UHFFFAOYSA-N 1 0 351.406 4.233 20 5 FIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000548722653 1084845421 /nfs/dbraw/zinc/84/54/21/1084845421.db2.gz MPQGVEUHCJMHLG-HXUWFJFHSA-N 1 0 351.381 4.051 20 5 FIBDRO CCC[C@@H]([NH2+][C@H]1CCc2cnn(C(C)C)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000478161049 1084918210 /nfs/dbraw/zinc/91/82/10/1084918210.db2.gz AUDRCGVBQCKEGU-PKOBYXMFSA-N 1 0 356.470 4.361 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC4(CCCC4)CC3)o2)c1 ZINC000582387934 1084936831 /nfs/dbraw/zinc/93/68/31/1084936831.db2.gz RVSSOKNDUAPFFU-UHFFFAOYSA-N 1 0 355.438 4.449 20 5 FIBDRO Cc1ccn(-c2ccccc2C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000127637581 1084980360 /nfs/dbraw/zinc/98/03/60/1084980360.db2.gz JNUBAEVSTJCBHW-MRXNPFEDSA-N 1 0 350.422 4.248 20 5 FIBDRO COc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)c(C)c2)cc1[N+](=O)[O-] ZINC000414297373 1084990628 /nfs/dbraw/zinc/99/06/28/1084990628.db2.gz HJLXXJWUEOFOPZ-UHFFFAOYSA-N 1 0 354.328 4.220 20 5 FIBDRO Cc1c(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000562049387 1085004113 /nfs/dbraw/zinc/00/41/13/1085004113.db2.gz QZGSCZKDNIDBHJ-HKUYNNGSSA-N 1 0 359.857 4.092 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000158366982 1085052690 /nfs/dbraw/zinc/05/26/90/1085052690.db2.gz WIZFKKJFARODAF-UHFFFAOYSA-N 1 0 353.422 4.127 20 5 FIBDRO C[C@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000125106045 1085330639 /nfs/dbraw/zinc/33/06/39/1085330639.db2.gz ZYSZIJIDEGENFW-WFASDCNBSA-N 1 0 358.419 4.301 20 5 FIBDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178639978 1085421434 /nfs/dbraw/zinc/42/14/34/1085421434.db2.gz HEJSUNTUXASRRT-AWEZNQCLSA-N 1 0 350.422 4.248 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccnc(SCC)c2)cc1[N+](=O)[O-] ZINC000187794396 1085545807 /nfs/dbraw/zinc/54/58/07/1085545807.db2.gz SPKTZCGZZQPQPR-CYBMUJFWSA-N 1 0 361.467 4.351 20 5 FIBDRO C[C@@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000121863866 1085560847 /nfs/dbraw/zinc/56/08/47/1085560847.db2.gz KWAPLFVZHPLDDA-SECBINFHSA-N 1 0 371.181 4.486 20 5 FIBDRO C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178648408 1085569429 /nfs/dbraw/zinc/56/94/29/1085569429.db2.gz AAKYYANKUPOSSY-JTQLQIEISA-N 1 0 353.191 4.347 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000125458214 1085574268 /nfs/dbraw/zinc/57/42/68/1085574268.db2.gz QZAVOVUEFVYZGZ-FOIQADDNSA-N 1 0 358.438 4.075 20 5 FIBDRO COc1ccc(C2(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 ZINC000178649819 1085577069 /nfs/dbraw/zinc/57/70/69/1085577069.db2.gz FRJLAZJYBOKPEE-INIZCTEOSA-N 1 0 370.449 4.002 20 5 FIBDRO COc1ccc(C2(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 ZINC000178649837 1085577876 /nfs/dbraw/zinc/57/78/76/1085577876.db2.gz FRJLAZJYBOKPEE-MRXNPFEDSA-N 1 0 370.449 4.002 20 5 FIBDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000582825325 1085779594 /nfs/dbraw/zinc/77/95/94/1085779594.db2.gz SDEDPXIMNJNZOY-PUCZYUMASA-N 1 0 370.449 4.347 20 5 FIBDRO COc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1OC(F)F ZINC000125613900 1085983374 /nfs/dbraw/zinc/98/33/74/1085983374.db2.gz AFUSYBAIOHKMPR-GFCCVEGCSA-N 1 0 366.364 4.364 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000583153319 1086308459 /nfs/dbraw/zinc/30/84/59/1086308459.db2.gz LGQBVXVJZFGQOH-INIZCTEOSA-N 1 0 366.339 4.313 20 5 FIBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001167799444 1086430085 /nfs/dbraw/zinc/43/00/85/1086430085.db2.gz ZNUXSCVFMIAPKH-WFASDCNBSA-N 1 0 353.850 4.087 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCc4c3cccc4O)o2)c1 ZINC000105486574 1086557197 /nfs/dbraw/zinc/55/71/97/1086557197.db2.gz XCPKDZJNIZYRFG-GOSISDBHSA-N 1 0 350.374 4.338 20 5 FIBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C1(CC)CC ZINC001167818777 1086568477 /nfs/dbraw/zinc/56/84/77/1086568477.db2.gz JHBNJOFDMILDBS-MSOLQXFVSA-N 1 0 350.459 4.019 20 5 FIBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2F)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000583335355 1086574824 /nfs/dbraw/zinc/57/48/24/1086574824.db2.gz LUFKASXSWYVHFB-MSOLQXFVSA-N 1 0 374.412 4.163 20 5 FIBDRO Cc1c(C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000512160753 1086853831 /nfs/dbraw/zinc/85/38/31/1086853831.db2.gz AZWBVEQAVNQYTB-MRXNPFEDSA-N 1 0 369.248 4.423 20 5 FIBDRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000512170079 1086875104 /nfs/dbraw/zinc/87/51/04/1086875104.db2.gz BJNDECONPXXMSS-INIZCTEOSA-N 1 0 369.465 4.318 20 5 FIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000163439553 1086994063 /nfs/dbraw/zinc/99/40/63/1086994063.db2.gz POECZXPACOTCKK-UHFFFAOYSA-N 1 0 353.422 4.060 20 5 FIBDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000583895527 1087017569 /nfs/dbraw/zinc/01/75/69/1087017569.db2.gz OSOKZEKNSCWNGF-HUUCEWRRSA-N 1 0 367.449 4.409 20 5 FIBDRO CC[NH+](CC)CCCC1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000611815120 1087252837 /nfs/dbraw/zinc/25/28/37/1087252837.db2.gz HEZYNSIOSHKZDW-UHFFFAOYSA-N 1 0 351.466 4.068 20 5 FIBDRO CCC[C@H]([NH2+]C1CCN(c2cccc(C)n2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000128164553 1087316415 /nfs/dbraw/zinc/31/64/15/1087316415.db2.gz WGMPTTKKQFWXNO-FQEVSTJZSA-N 1 0 368.481 4.398 20 5 FIBDRO COc1ccc(C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 ZINC000102419119 1087695336 /nfs/dbraw/zinc/69/53/36/1087695336.db2.gz BMZFPHCBZVONPV-UHFFFAOYSA-N 1 0 368.389 4.162 20 5 FIBDRO COc1ccc(-c2cnc(CN[C@@H](C)c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000180405012 1087899855 /nfs/dbraw/zinc/89/98/55/1087899855.db2.gz IQQIGKRCTSMGMY-ZDUSSCGKSA-N 1 0 353.378 4.109 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000504895625 1087968530 /nfs/dbraw/zinc/96/85/30/1087968530.db2.gz VMQBWSGVKCTDJU-JYYAWHABSA-N 1 0 350.484 4.013 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000504899546 1087970455 /nfs/dbraw/zinc/97/04/55/1087970455.db2.gz IMFJFNCKOGWTJA-LBPRGKRZSA-N 1 0 350.365 4.165 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCn2cc(C)nc21 ZINC000504919529 1087972061 /nfs/dbraw/zinc/97/20/61/1087972061.db2.gz KTQIXBIINZRIJC-JKSUJKDBSA-N 1 0 374.510 4.138 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCCc2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000504905107 1087975767 /nfs/dbraw/zinc/97/57/67/1087975767.db2.gz CHWXGDJCYQILHX-OAHLLOKOSA-N 1 0 358.438 4.286 20 5 FIBDRO CC[N@H+](Cc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1)C1CC1 ZINC000504996234 1088026181 /nfs/dbraw/zinc/02/61/81/1088026181.db2.gz MBKVFEMEEUTRRS-UHFFFAOYSA-N 1 0 364.405 4.296 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000463041307 1088042300 /nfs/dbraw/zinc/04/23/00/1088042300.db2.gz XYHXTOGWJQGHPJ-QJWNTBNXSA-N 1 0 360.360 4.390 20 5 FIBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000181299436 1088298509 /nfs/dbraw/zinc/29/85/09/1088298509.db2.gz VGCHRIPICCNEGE-BTYIYWSLSA-N 1 0 363.417 4.041 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)s2)cc1 ZINC000514075220 1088699874 /nfs/dbraw/zinc/69/98/74/1088699874.db2.gz BRKVVUDUHSHTDV-QXAKKESOSA-N 1 0 370.474 4.371 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)s2)cc1 ZINC000514075218 1088699891 /nfs/dbraw/zinc/69/98/91/1088699891.db2.gz BRKVVUDUHSHTDV-BHIYHBOVSA-N 1 0 370.474 4.371 20 5 FIBDRO C[C@@H](C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000514085434 1088728783 /nfs/dbraw/zinc/72/87/83/1088728783.db2.gz VZDXNLSUUBKWMZ-INIZCTEOSA-N 1 0 364.449 4.231 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000514092677 1088739655 /nfs/dbraw/zinc/73/96/55/1088739655.db2.gz GCSNKFHXDCFUCH-YNVMFWSZSA-N 1 0 368.481 4.366 20 5 FIBDRO CC[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC(F)(F)F ZINC000414505789 1088812760 /nfs/dbraw/zinc/81/27/60/1088812760.db2.gz APQQMCBOQNKBDI-SECBINFHSA-N 1 0 356.291 4.264 20 5 FIBDRO CC[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC(F)(F)F ZINC000414505794 1088813853 /nfs/dbraw/zinc/81/38/53/1088813853.db2.gz APQQMCBOQNKBDI-VIFPVBQESA-N 1 0 356.291 4.264 20 5 FIBDRO Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000414539793 1088818741 /nfs/dbraw/zinc/81/87/41/1088818741.db2.gz BJBCMFZBQLPJGL-FQEVSTJZSA-N 1 0 352.434 4.257 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000181530471 1088924440 /nfs/dbraw/zinc/92/44/40/1088924440.db2.gz KFVLJLXCMZACRJ-JKSUJKDBSA-N 1 0 355.438 4.014 20 5 FIBDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])C(C)(C)C ZINC000505481397 1088953795 /nfs/dbraw/zinc/95/37/95/1088953795.db2.gz TZFWESAMKYQIEU-OAHLLOKOSA-N 1 0 360.401 4.162 20 5 FIBDRO CC1(C)C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c2cc(N)ccc2O1 ZINC000415022178 1089061097 /nfs/dbraw/zinc/06/10/97/1089061097.db2.gz BVDBTNKYJNQQDF-XTKXOIQPSA-N 1 0 353.422 4.082 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(Cc4ccc(F)cc4)CC3)nc2c1 ZINC000434852896 1089078781 /nfs/dbraw/zinc/07/87/81/1089078781.db2.gz LANYYVIDLXUTAY-UHFFFAOYSA-N 1 0 369.396 4.330 20 5 FIBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000434901351 1089117753 /nfs/dbraw/zinc/11/77/53/1089117753.db2.gz VDGKKKVSTCGSAF-AEFFLSMTSA-N 1 0 367.449 4.110 20 5 FIBDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC000511522456 1089210277 /nfs/dbraw/zinc/21/02/77/1089210277.db2.gz LDXOXKAESBDKNU-UHFFFAOYSA-N 1 0 368.412 4.189 20 5 FIBDRO CC1(C)CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCS1 ZINC000435049499 1089236406 /nfs/dbraw/zinc/23/64/06/1089236406.db2.gz OILKJXOHVWJGFW-UHFFFAOYSA-N 1 0 363.508 4.436 20 5 FIBDRO CCC[N@H+](CCc1cccc(F)c1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000435063116 1089253969 /nfs/dbraw/zinc/25/39/69/1089253969.db2.gz IMOBPNOARWDWNJ-UHFFFAOYSA-N 1 0 357.385 4.330 20 5 FIBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000505598205 1089254108 /nfs/dbraw/zinc/25/41/08/1089254108.db2.gz YFWQYFLPUIDPEP-YPMHNXCESA-N 1 0 358.385 4.010 20 5 FIBDRO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000435064078 1089254763 /nfs/dbraw/zinc/25/47/63/1089254763.db2.gz MGMGRWFWRBXKKE-HXUWFJFHSA-N 1 0 351.406 4.290 20 5 FIBDRO C[C@H](CCCC[NH3+])NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415198031 1089265111 /nfs/dbraw/zinc/26/51/11/1089265111.db2.gz UDIYLNFUHNIRPT-CQSZACIVSA-N 1 0 372.425 4.026 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOC[C@@H](C4CCC4)C3)o2)cc1 ZINC000430126355 1089366421 /nfs/dbraw/zinc/36/64/21/1089366421.db2.gz NZRGYIBHBLHYAK-KRWDZBQOSA-N 1 0 356.422 4.103 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)c1 ZINC000435742373 1089919767 /nfs/dbraw/zinc/91/97/67/1089919767.db2.gz UNSFTNSRHFWGES-NNUKFRKNSA-N 1 0 366.339 4.371 20 5 FIBDRO Cn1cc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435788036 1089934644 /nfs/dbraw/zinc/93/46/44/1089934644.db2.gz CIJUEDIWVJTSSG-UAPYVXQJSA-N 1 0 362.433 4.031 20 5 FIBDRO CC[C@@H](C)[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000072588503 1090257140 /nfs/dbraw/zinc/25/71/40/1090257140.db2.gz YZYSHLZKDKPFBV-OAHLLOKOSA-N 1 0 366.421 4.446 20 5 FIBDRO CC(C)[C@H](O)CC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000236816365 1090257841 /nfs/dbraw/zinc/25/78/41/1090257841.db2.gz FMBBDLICWLONLI-GOSISDBHSA-N 1 0 362.401 4.023 20 5 FIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000468654118 1090264455 /nfs/dbraw/zinc/26/44/55/1090264455.db2.gz SXUAFTUMOQJTCI-ATVHPVEESA-N 1 0 362.433 4.016 20 5 FIBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc21 ZINC000378404303 1090350954 /nfs/dbraw/zinc/35/09/54/1090350954.db2.gz PFFPFFVVURQDDS-KSSFIOAISA-N 1 0 353.422 4.052 20 5 FIBDRO CCC(C)(C)[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000236858880 1090702022 /nfs/dbraw/zinc/70/20/22/1090702022.db2.gz DAPDVDHXMSRLNM-UHFFFAOYSA-N 1 0 358.438 4.461 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccc(-n3ccnc3)c1)CCCC2 ZINC000417302124 1090793086 /nfs/dbraw/zinc/79/30/86/1090793086.db2.gz BZUQHULSNWZIPU-OAQYLSRUSA-N 1 0 362.433 4.338 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccc([S@@](C)=O)cc1 ZINC000417308610 1090800952 /nfs/dbraw/zinc/80/09/52/1090800952.db2.gz HTJAPJARMAYCLD-ZWPAFXJRSA-N 1 0 372.490 4.451 20 5 FIBDRO CC(C)c1nnc(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000417351543 1090829700 /nfs/dbraw/zinc/82/97/00/1090829700.db2.gz RZTVFNFNTZCZAT-MRXNPFEDSA-N 1 0 360.483 4.170 20 5 FIBDRO CC(C)c1nnc(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000417351537 1090830143 /nfs/dbraw/zinc/83/01/43/1090830143.db2.gz RZTVFNFNTZCZAT-INIZCTEOSA-N 1 0 360.483 4.170 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000566474711 1090862804 /nfs/dbraw/zinc/86/28/04/1090862804.db2.gz IJBVHLFBGPDNTN-HNNXBMFYSA-N 1 0 352.312 4.271 20 5 FIBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000584480241 1090966803 /nfs/dbraw/zinc/96/68/03/1090966803.db2.gz VCKMCCPYQGOSGT-DJJJIMSYSA-N 1 0 365.433 4.281 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CSCCS3)s2)cc1 ZINC000759835523 1091277045 /nfs/dbraw/zinc/27/70/45/1091277045.db2.gz VOAARQFJZNNZNA-OAHLLOKOSA-N 1 0 366.533 4.262 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000759851963 1091327600 /nfs/dbraw/zinc/32/76/00/1091327600.db2.gz XDNMZDNDMJUDQD-GOSISDBHSA-N 1 0 364.804 4.085 20 5 FIBDRO CC(=O)c1ccc(NCc2ccc(C[NH+]3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000015117530 1091369299 /nfs/dbraw/zinc/36/92/99/1091369299.db2.gz KCAVQBAAAYTVCB-UHFFFAOYSA-N 1 0 367.449 4.395 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCCC34CCOCC4)o2)cc1 ZINC000500428623 1091513053 /nfs/dbraw/zinc/51/30/53/1091513053.db2.gz LNKHILACBHTJDG-LJQANCHMSA-N 1 0 356.422 4.294 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC3(CCSCC3)C1)CCC2 ZINC000278839561 1091770466 /nfs/dbraw/zinc/77/04/66/1091770466.db2.gz UQSPNLDGEPFYJV-CRAIPNDOSA-N 1 0 362.495 4.007 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000512226747 1091933233 /nfs/dbraw/zinc/93/32/33/1091933233.db2.gz OLQKZUNJRJTJOT-LJQANCHMSA-N 1 0 367.449 4.003 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000512290790 1092012135 /nfs/dbraw/zinc/01/21/35/1092012135.db2.gz AXKLRTJPKLTETH-INIZCTEOSA-N 1 0 367.449 4.457 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCc2cccc3[nH]ccc32)c1 ZINC000500468555 1092105669 /nfs/dbraw/zinc/10/56/69/1092105669.db2.gz IKRQCNBWLCCOLC-UHFFFAOYSA-N 1 0 361.348 4.010 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCCC[C@H]3OC(F)F)o2)c1 ZINC000500473253 1092108525 /nfs/dbraw/zinc/10/85/25/1092108525.db2.gz ADPYBADQPXLXQJ-NVXWUHKLSA-N 1 0 366.364 4.495 20 5 FIBDRO CC1CCN(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000520946765 1092369267 /nfs/dbraw/zinc/36/92/67/1092369267.db2.gz HGEXBVXJLGSRLT-UHFFFAOYSA-N 1 0 359.495 4.145 20 5 FIBDRO COc1cc(C[NH2+]CC2CCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000520951036 1092377211 /nfs/dbraw/zinc/37/72/11/1092377211.db2.gz MPXWBSVZMNNGMU-UHFFFAOYSA-N 1 0 370.449 4.462 20 5 FIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCc2ccc3ccccc3n2)c1 ZINC000520965616 1092390443 /nfs/dbraw/zinc/39/04/43/1092390443.db2.gz NJELTGVDPFORLB-UHFFFAOYSA-N 1 0 373.359 4.077 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)ccc1Oc1ccc(F)cc1 ZINC000438910579 1092523561 /nfs/dbraw/zinc/52/35/61/1092523561.db2.gz BUVGAQBBYCQPIX-HLIPFELVSA-N 1 0 372.396 4.183 20 5 FIBDRO C[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000521402648 1092682199 /nfs/dbraw/zinc/68/21/99/1092682199.db2.gz BPGLYGRVWRJMEV-OAHLLOKOSA-N 1 0 362.433 4.002 20 5 FIBDRO CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000236933403 1092810893 /nfs/dbraw/zinc/81/08/93/1092810893.db2.gz MRJDBGXORUAEJY-OAHLLOKOSA-N 1 0 359.495 4.145 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H](c4ccccc4F)C3)co2)cc1 ZINC000549813928 1092831992 /nfs/dbraw/zinc/83/19/92/1092831992.db2.gz VHRZSGHYGNXTDO-OAHLLOKOSA-N 1 0 367.380 4.378 20 5 FIBDRO COC(=O)C(C)(C)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000512546201 1092857177 /nfs/dbraw/zinc/85/71/77/1092857177.db2.gz AYJXLFHYTSZOGY-UHFFFAOYSA-N 1 0 362.451 4.002 20 5 FIBDRO Cc1ccccc1[C@H]([C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])N(C)C ZINC000443003427 1092911137 /nfs/dbraw/zinc/91/11/37/1092911137.db2.gz UQCLVPPXXUFINC-LWYBDQPUSA-N 1 0 353.466 4.197 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCCn3ccnc3)s2)cc1 ZINC000521813882 1092927722 /nfs/dbraw/zinc/92/77/22/1092927722.db2.gz IXRAJSXVNAWRTO-UHFFFAOYSA-N 1 0 356.451 4.090 20 5 FIBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000521813562 1092927951 /nfs/dbraw/zinc/92/79/51/1092927951.db2.gz ZIZRCKPJESWDFH-HZPDHXFCSA-N 1 0 357.454 4.065 20 5 FIBDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)CCO2 ZINC000614160950 1093015911 /nfs/dbraw/zinc/01/59/11/1093015911.db2.gz YDHXIAUAQBGRRH-LIRRHRJNSA-N 1 0 356.422 4.476 20 5 FIBDRO C[C@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO[C@@H]1C1CC1 ZINC000542315327 1093247447 /nfs/dbraw/zinc/24/74/47/1093247447.db2.gz RDCKKXRJKHUYIY-MOPGFXCFSA-N 1 0 358.463 4.371 20 5 FIBDRO CC(C)c1noc(CCC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000433177861 1093389601 /nfs/dbraw/zinc/38/96/01/1093389601.db2.gz QZAJHNQXAIIXQC-MRXNPFEDSA-N 1 0 358.442 4.046 20 5 FIBDRO CC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000512855753 1093455912 /nfs/dbraw/zinc/45/59/12/1093455912.db2.gz JLZDCAHPUJLACC-UGAXZCSASA-N 1 0 356.422 4.366 20 5 FIBDRO Cc1ccc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000512874045 1093494125 /nfs/dbraw/zinc/49/41/25/1093494125.db2.gz JDMFUYPPMVCVPI-INIZCTEOSA-N 1 0 369.248 4.423 20 5 FIBDRO O=C(CC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000433308184 1093574644 /nfs/dbraw/zinc/57/46/44/1093574644.db2.gz XRFTWRGYMXNZQG-HNNXBMFYSA-N 1 0 373.840 4.066 20 5 FIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000474439427 1093785377 /nfs/dbraw/zinc/78/53/77/1093785377.db2.gz NBKUZDOSYPPKOJ-BEFAXECRSA-N 1 0 370.453 4.025 20 5 FIBDRO CC[C@@](C)(CO)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000237058884 1093792445 /nfs/dbraw/zinc/79/24/45/1093792445.db2.gz OSWXVUYEBSBLNI-SFHVURJKSA-N 1 0 364.829 4.291 20 5 FIBDRO COc1cc(C[NH2+][C@H]2CC[C@@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000513101300 1093847805 /nfs/dbraw/zinc/84/78/05/1093847805.db2.gz QFLLZWRWYSPQII-YOEHRIQHSA-N 1 0 356.422 4.071 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000182347556 1094029679 /nfs/dbraw/zinc/02/96/79/1094029679.db2.gz WNHIYFPFZIDAKO-GFCCVEGCSA-N 1 0 366.364 4.364 20 5 FIBDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000513292162 1094048881 /nfs/dbraw/zinc/04/88/81/1094048881.db2.gz PCKZIXUCNYOEKL-LLVKDONJSA-N 1 0 354.328 4.040 20 5 FIBDRO CC(C)[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C[C@H](C)O ZINC000513648945 1094253651 /nfs/dbraw/zinc/25/36/51/1094253651.db2.gz WIEIYVDEZOUSBI-AWEZNQCLSA-N 1 0 362.401 4.117 20 5 FIBDRO C[C@@H](N[C@H](C)c1ccc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000280187052 1094299657 /nfs/dbraw/zinc/29/96/57/1094299657.db2.gz SAOOCJATJXHQGI-GHMZBOCLSA-N 1 0 350.216 4.164 20 5 FIBDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237006590 1094386928 /nfs/dbraw/zinc/38/69/28/1094386928.db2.gz ZEFDLPJICOYJLP-MEDUHNTESA-N 1 0 352.818 4.005 20 5 FIBDRO COc1ccc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)cc1[N+](=O)[O-] ZINC000237390258 1094523156 /nfs/dbraw/zinc/52/31/56/1094523156.db2.gz JINHSRMSNLQVLX-UHFFFAOYSA-N 1 0 359.813 4.070 20 5 FIBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000413233265 1094765540 /nfs/dbraw/zinc/76/55/40/1094765540.db2.gz CRUGBYBBHAQPMX-NEPJUHHUSA-N 1 0 372.391 4.074 20 5 FIBDRO C[N@H+](CCCNc1nccc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000710680228 1095176497 /nfs/dbraw/zinc/17/64/97/1095176497.db2.gz DWUCFQVIIWVJHD-UHFFFAOYSA-N 1 0 350.422 4.077 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCC23CCOCC3)cc(C(F)(F)F)c1 ZINC000502438758 1095478184 /nfs/dbraw/zinc/47/81/84/1095478184.db2.gz VNKIGZSNEQTCCL-HNNXBMFYSA-N 1 0 358.360 4.053 20 5 FIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(Br)cn2)cccc1[N+](=O)[O-] ZINC000281151340 1095495960 /nfs/dbraw/zinc/49/59/60/1095495960.db2.gz OLNCBXSFTHGAAY-VXGBXAGGSA-N 1 0 364.243 4.473 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000444162356 1095795997 /nfs/dbraw/zinc/79/59/97/1095795997.db2.gz AAITYKCCZGPGNG-DJJJIMSYSA-N 1 0 371.412 4.064 20 5 FIBDRO COc1ccc([C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C(C)C)c(F)c1 ZINC000421826626 1095940256 /nfs/dbraw/zinc/94/02/56/1095940256.db2.gz UBJCVICGFZJYPA-LJQANCHMSA-N 1 0 362.401 4.238 20 5 FIBDRO CCc1ccc([C@H]([NH2+][C@@H]2CCO[C@H](CC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000421850640 1095955158 /nfs/dbraw/zinc/95/51/58/1095955158.db2.gz DSLNOWCJRHEGPL-XFQXTVEOSA-N 1 0 358.438 4.387 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503410039 1096388550 /nfs/dbraw/zinc/38/85/50/1096388550.db2.gz YTIXCMIFVXLTMB-DJJJIMSYSA-N 1 0 373.840 4.020 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000503896464 1096579044 /nfs/dbraw/zinc/57/90/44/1096579044.db2.gz XCEOLDHRCPNGQT-ZBFHGGJFSA-N 1 0 374.412 4.431 20 5 FIBDRO CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000504400455 1096766039 /nfs/dbraw/zinc/76/60/39/1096766039.db2.gz CVGSRZMCPBXHBH-KRWDZBQOSA-N 1 0 368.481 4.298 20 5 FIBDRO Cc1ccc([C@H](C)[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000532931174 1098603088 /nfs/dbraw/zinc/60/30/88/1098603088.db2.gz VCZAPXMQLMNYRC-INIZCTEOSA-N 1 0 355.438 4.152 20 5 FIBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2ncccc2[N+](=O)[O-])C1 ZINC000515480494 1098625766 /nfs/dbraw/zinc/62/57/66/1098625766.db2.gz MVTRJSYNEGKHEW-HZPDHXFCSA-N 1 0 354.454 4.080 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000532976522 1098647519 /nfs/dbraw/zinc/64/75/19/1098647519.db2.gz GAYLWZYJZRTUMR-SFHVURJKSA-N 1 0 371.437 4.442 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000532978553 1098649308 /nfs/dbraw/zinc/64/93/08/1098649308.db2.gz VQDBAYMHZONZSK-AEFFLSMTSA-N 1 0 367.449 4.110 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000533054413 1098721317 /nfs/dbraw/zinc/72/13/17/1098721317.db2.gz CKOIEUIAOIRKEA-NRFANRHFSA-N 1 0 367.449 4.363 20 5 FIBDRO Cc1ccc([C@H](C)[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000533243902 1098901298 /nfs/dbraw/zinc/90/12/98/1098901298.db2.gz HIFJHUCKMAZZSE-INIZCTEOSA-N 1 0 355.438 4.233 20 5 FIBDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000515784913 1098935221 /nfs/dbraw/zinc/93/52/21/1098935221.db2.gz CYNDIDVYPMDJJC-UHFFFAOYSA-N 1 0 368.437 4.267 20 5 FIBDRO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000533295319 1098949620 /nfs/dbraw/zinc/94/96/20/1098949620.db2.gz UTMUHBCOKVCRGE-HXUWFJFHSA-N 1 0 367.449 4.012 20 5 FIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000533366664 1098982090 /nfs/dbraw/zinc/98/20/90/1098982090.db2.gz BRKZDOQSXUBUHK-GOSISDBHSA-N 1 0 355.438 4.068 20 5 FIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425553329 1099025632 /nfs/dbraw/zinc/02/56/32/1099025632.db2.gz MFLSNNIITDPNBQ-QGZVFWFLSA-N 1 0 350.846 4.029 20 5 FIBDRO O=C(C[N@H+](CC1CC1)C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000533413595 1099034964 /nfs/dbraw/zinc/03/49/64/1099034964.db2.gz ZMARQAOATJJYNY-UHFFFAOYSA-N 1 0 365.861 4.231 20 5 FIBDRO CSC[C@@H](C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237359617 1099421111 /nfs/dbraw/zinc/42/11/11/1099421111.db2.gz PZGAAHJNSNQWKS-GFCCVEGCSA-N 1 0 350.415 4.367 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000516491008 1099523557 /nfs/dbraw/zinc/52/35/57/1099523557.db2.gz SBFBZBGNAGZFCM-HXUWFJFHSA-N 1 0 351.450 4.088 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000615034618 1099533556 /nfs/dbraw/zinc/53/35/56/1099533556.db2.gz UXTVIOQFNRWZOT-UHFFFAOYSA-N 1 0 374.485 4.023 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)C1CC1 ZINC000437073100 1099591280 /nfs/dbraw/zinc/59/12/80/1099591280.db2.gz NCPGVRXSANPDBV-ROUUACIJSA-N 1 0 356.397 4.168 20 5 FIBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc(OC)c(OC)c1 ZINC000506016172 1099771242 /nfs/dbraw/zinc/77/12/42/1099771242.db2.gz FPZFWUXXBUYZJR-VQHVLOKHSA-N 1 0 356.422 4.147 20 5 FIBDRO CN1Cc2ccccc2[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000533818406 1099980979 /nfs/dbraw/zinc/98/09/79/1099980979.db2.gz DSYLDRJYCZFRJA-LJQANCHMSA-N 1 0 363.417 4.131 20 5 FIBDRO CCCn1ccnc1CCCN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000428680624 1100014891 /nfs/dbraw/zinc/01/48/91/1100014891.db2.gz AJVWRPAHNILVHY-UHFFFAOYSA-N 1 0 367.453 4.127 20 5 FIBDRO O=C(CC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000517108643 1100076691 /nfs/dbraw/zinc/07/66/91/1100076691.db2.gz GOSBHIRHOCHIOZ-OAHLLOKOSA-N 1 0 373.840 4.066 20 5 FIBDRO CC(C)(C)[N@@H+]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000536653846 1100109540 /nfs/dbraw/zinc/10/95/40/1100109540.db2.gz SVPIAVUEQCVSIK-UHFFFAOYSA-N 1 0 374.510 4.025 20 5 FIBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536673572 1100158508 /nfs/dbraw/zinc/15/85/08/1100158508.db2.gz MECBUBCCKIBXKE-RVPHRTOXSA-N 1 0 365.477 4.062 20 5 FIBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](C)C2(CCC2)C1 ZINC000536703802 1100210120 /nfs/dbraw/zinc/21/01/20/1100210120.db2.gz ZNINXKKZJTYCPH-OLZOCXBDSA-N 1 0 365.861 4.087 20 5 FIBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1OC(F)F ZINC000536841428 1100353214 /nfs/dbraw/zinc/35/32/14/1100353214.db2.gz UKQZXSGLSYCZLI-NSHDSACASA-N 1 0 354.328 4.229 20 5 FIBDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c2ccccc21 ZINC000536843463 1100356480 /nfs/dbraw/zinc/35/64/80/1100356480.db2.gz FLDCZTPRDPQXGJ-AUUYWEPGSA-N 1 0 353.422 4.052 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)Cc2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000536869219 1100388036 /nfs/dbraw/zinc/38/80/36/1100388036.db2.gz JBYIGKXRHIJTOQ-CABCVRRESA-N 1 0 358.438 4.284 20 5 FIBDRO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536868961 1100388849 /nfs/dbraw/zinc/38/88/49/1100388849.db2.gz JJKHAVUJBMZEDP-HSBZDZAISA-N 1 0 373.478 4.018 20 5 FIBDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000536876604 1100397381 /nfs/dbraw/zinc/39/73/81/1100397381.db2.gz OPKFWAGONYKQOV-OLZOCXBDSA-N 1 0 371.462 4.495 20 5 FIBDRO Cc1ccc2cc(C[NH2+]CCc3ccc(Cl)cc3[N+](=O)[O-])ccc2n1 ZINC000437796584 1100610833 /nfs/dbraw/zinc/61/08/33/1100610833.db2.gz RPRLCULFSWYLHP-UHFFFAOYSA-N 1 0 355.825 4.437 20 5 FIBDRO CC(C)[NH+]1CCC(N(C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000506325225 1100866702 /nfs/dbraw/zinc/86/67/02/1100866702.db2.gz HXDQMNLGVGCOMN-UHFFFAOYSA-N 1 0 357.454 4.159 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCOC2)ccc1Oc1ccccc1Cl ZINC000509564904 1100964469 /nfs/dbraw/zinc/96/44/69/1100964469.db2.gz XKTFVPOYJKSJJT-AWEZNQCLSA-N 1 0 362.813 4.167 20 5 FIBDRO COC[C@H](C)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000509587254 1100985561 /nfs/dbraw/zinc/98/55/61/1100985561.db2.gz QAYCQIMPJYGZST-CYBMUJFWSA-N 1 0 364.829 4.413 20 5 FIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000518275113 1101057855 /nfs/dbraw/zinc/05/78/55/1101057855.db2.gz CELVWPCTYGGLNB-UHFFFAOYSA-N 1 0 356.756 4.182 20 5 FIBDRO C[N@H+](CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCCCC1 ZINC000518276610 1101070957 /nfs/dbraw/zinc/07/09/57/1101070957.db2.gz GRFZSFIZAGLNET-UHFFFAOYSA-N 1 0 357.454 4.209 20 5 FIBDRO O=C(NCCCCC[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000518445068 1101205740 /nfs/dbraw/zinc/20/57/40/1101205740.db2.gz PQDVLEOWXHCPBO-UHFFFAOYSA-N 1 0 368.865 4.026 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000426320680 1101249993 /nfs/dbraw/zinc/24/99/93/1101249993.db2.gz YLZHZWDSFLZSRR-GDBMZVCRSA-N 1 0 373.428 4.062 20 5 FIBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1OCCc2sccc21 ZINC000426352531 1101342333 /nfs/dbraw/zinc/34/23/33/1101342333.db2.gz MIOPZQNSHSGEMB-OEPMTFCVSA-N 1 0 358.463 4.326 20 5 FIBDRO CCSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000537102925 1101449067 /nfs/dbraw/zinc/44/90/67/1101449067.db2.gz AROXZMKLQLERHM-CQSZACIVSA-N 1 0 373.478 4.305 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2CCCc2ccccc2)c1 ZINC001168153006 1101464570 /nfs/dbraw/zinc/46/45/70/1101464570.db2.gz DGHSRYKOCJYPJT-CTNGQTDRSA-N 1 0 354.450 4.116 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCc2cccnc2)cc1[N+](=O)[O-] ZINC000518767843 1101528982 /nfs/dbraw/zinc/52/89/82/1101528982.db2.gz VCOFRYIECNLRAD-UHFFFAOYSA-N 1 0 362.433 4.090 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCOc2ccccc2F)o1 ZINC000518771898 1101534528 /nfs/dbraw/zinc/53/45/28/1101534528.db2.gz QLEKOAVPPCPBOO-UHFFFAOYSA-N 1 0 356.353 4.163 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2ccccc2O)s1 ZINC000518784243 1101583360 /nfs/dbraw/zinc/58/33/60/1101583360.db2.gz BTMQTGKBUHQSKJ-UHFFFAOYSA-N 1 0 354.431 4.361 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000537291304 1101611722 /nfs/dbraw/zinc/61/17/22/1101611722.db2.gz OXIQVDUZVBVFSV-OAQYLSRUSA-N 1 0 367.449 4.281 20 5 FIBDRO C[C@H](CCO)C1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000537343638 1101677514 /nfs/dbraw/zinc/67/75/14/1101677514.db2.gz LQRWUCFTHYJPAU-OAHLLOKOSA-N 1 0 358.438 4.133 20 5 FIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000760483217 1101986722 /nfs/dbraw/zinc/98/67/22/1101986722.db2.gz IAOBMYVJPKEZJH-GUTXKFCHSA-N 1 0 369.412 4.038 20 5 FIBDRO O=C(CCC1CC[NH2+]CC1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000263317955 1102069473 /nfs/dbraw/zinc/06/94/73/1102069473.db2.gz ZTWCFYKFJPXNDN-UHFFFAOYSA-N 1 0 369.421 4.105 20 5 FIBDRO Cc1ccc(C[NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)cc1[N+](=O)[O-] ZINC000237763847 1102140614 /nfs/dbraw/zinc/14/06/14/1102140614.db2.gz ZJWJGVNVKMXKJW-UHFFFAOYSA-N 1 0 374.868 4.395 20 5 FIBDRO Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532460350 1102355098 /nfs/dbraw/zinc/35/50/98/1102355098.db2.gz HNRDICQZHDMIRT-HNNXBMFYSA-N 1 0 352.438 4.302 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000532485564 1102426556 /nfs/dbraw/zinc/42/65/56/1102426556.db2.gz ZFMXOCUDZMSCQW-ICSRJNTNSA-N 1 0 367.493 4.118 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCOC1 ZINC000546691456 1102447339 /nfs/dbraw/zinc/44/73/39/1102447339.db2.gz AWGCBLBHAGWOAB-VXGBXAGGSA-N 1 0 350.802 4.023 20 5 FIBDRO C[N@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)CC(C)(C)O ZINC000537638425 1102468789 /nfs/dbraw/zinc/46/87/89/1102468789.db2.gz OMQHYKJNZMNBGA-UHFFFAOYSA-N 1 0 364.829 4.243 20 5 FIBDRO Cc1c(NC(=O)CC[N@@H+]2CCCCC[C@@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000532575856 1102498162 /nfs/dbraw/zinc/49/81/62/1102498162.db2.gz FHVLIVFBNOFWNH-GOSISDBHSA-N 1 0 371.437 4.442 20 5 FIBDRO COc1ccc([C@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cc1NC(C)=O ZINC000897466427 1102571795 /nfs/dbraw/zinc/57/17/95/1102571795.db2.gz UJMZZZHBZZYAMO-KBPBESRZSA-N 1 0 371.437 4.016 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@@H](c4cccc(F)c4)C3)c2)cc1 ZINC000729471013 1102867765 /nfs/dbraw/zinc/86/77/65/1102867765.db2.gz VVOYXEVKSXVIBO-QGZVFWFLSA-N 1 0 366.396 4.044 20 5 FIBDRO C[C@@H]1CC([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000536609210 1102879515 /nfs/dbraw/zinc/87/95/15/1102879515.db2.gz ZBLIQSHTRODUPK-HZPDHXFCSA-N 1 0 369.465 4.408 20 5 FIBDRO COc1ccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(Cl)c1OC ZINC000551241692 1102998666 /nfs/dbraw/zinc/99/86/66/1102998666.db2.gz VKYKPYCJFLGPIP-GFCCVEGCSA-N 1 0 364.829 4.159 20 5 FIBDRO Cc1ccccc1[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000507163987 1103163132 /nfs/dbraw/zinc/16/31/32/1103163132.db2.gz IAOAPPGMJMMARQ-KRWDZBQOSA-N 1 0 367.449 4.030 20 5 FIBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000551423573 1103208218 /nfs/dbraw/zinc/20/82/18/1103208218.db2.gz MCKLWONZWYRPDG-HOTGVXAUSA-N 1 0 362.861 4.188 20 5 FIBDRO COc1cc(C[N@H+](C)[C@H](C)C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000507246141 1103248312 /nfs/dbraw/zinc/24/83/12/1103248312.db2.gz GXOSOIDQQMMFAI-LLVKDONJSA-N 1 0 364.364 4.021 20 5 FIBDRO CCc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)cc1[N+](=O)[O-] ZINC000427496132 1103605265 /nfs/dbraw/zinc/60/52/65/1103605265.db2.gz TWQJSVJPPGUQPY-UHFFFAOYSA-N 1 0 367.449 4.314 20 5 FIBDRO Cc1ccc(Sc2ccc(C[N@H+]3CC[C@H]([C@@H](C)O)C3)cc2[N+](=O)[O-])cc1 ZINC000507700956 1103630177 /nfs/dbraw/zinc/63/01/77/1103630177.db2.gz YBUKAKODIWJIAK-WBVHZDCISA-N 1 0 372.490 4.257 20 5 FIBDRO Cc1c(C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000519650562 1103767408 /nfs/dbraw/zinc/76/74/08/1103767408.db2.gz JQGDBROQSPVPLL-HXUWFJFHSA-N 1 0 365.477 4.190 20 5 FIBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@@H]1CCC[C@H]1O ZINC000537709491 1103870067 /nfs/dbraw/zinc/87/00/67/1103870067.db2.gz FVDUEXMXTDHWEM-YVEFUNNKSA-N 1 0 364.829 4.101 20 5 FIBDRO CCCC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000538201109 1104035056 /nfs/dbraw/zinc/03/50/56/1104035056.db2.gz GXHPJHBSTPKDGG-QGZVFWFLSA-N 1 0 371.437 4.063 20 5 FIBDRO O=C(C[NH2+][C@H](c1ccccc1F)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000538226897 1104047033 /nfs/dbraw/zinc/04/70/33/1104047033.db2.gz ZZWITNZAERHVNP-FQEVSTJZSA-N 1 0 371.412 4.194 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@]2(CO)CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000441343364 1104301566 /nfs/dbraw/zinc/30/15/66/1104301566.db2.gz VZTGHFLAFVRMNX-NRFANRHFSA-N 1 0 354.450 4.032 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CCO)c2ccco2)s1 ZINC000184515052 1104612124 /nfs/dbraw/zinc/61/21/24/1104612124.db2.gz OIOYLYHTSPZJFO-OAHLLOKOSA-N 1 0 358.419 4.130 20 5 FIBDRO COc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000507914816 1105264954 /nfs/dbraw/zinc/26/49/54/1105264954.db2.gz QPBVOSGUODDJAL-UHFFFAOYSA-N 1 0 356.422 4.215 20 5 FIBDRO C[NH+](C)CCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000428089367 1105371517 /nfs/dbraw/zinc/37/15/17/1105371517.db2.gz GKRVXHQAPNXJAS-UHFFFAOYSA-N 1 0 374.510 4.025 20 5 FIBDRO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451107184 1106925802 /nfs/dbraw/zinc/92/58/02/1106925802.db2.gz YNEAYCQESTTXSV-STQMWFEESA-N 1 0 361.829 4.234 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000451112284 1106926697 /nfs/dbraw/zinc/92/66/97/1106926697.db2.gz IFPOZQSBFMENAU-CQSZACIVSA-N 1 0 353.422 4.070 20 5 FIBDRO Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000451102570 1106933424 /nfs/dbraw/zinc/93/34/24/1106933424.db2.gz DKRHQJNRUZMVHT-HOTGVXAUSA-N 1 0 355.438 4.198 20 5 FIBDRO Cc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1F ZINC000451165217 1106955488 /nfs/dbraw/zinc/95/54/88/1106955488.db2.gz USLZTDNAMQRYKR-ZIAGYGMSSA-N 1 0 359.401 4.029 20 5 FIBDRO Cc1ccccc1[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000530616721 1107181995 /nfs/dbraw/zinc/18/19/95/1107181995.db2.gz HEZIFPVLBVKXJB-SFHVURJKSA-N 1 0 368.458 4.455 20 5 FIBDRO O=[N+]([O-])c1ccccc1CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000530626141 1107205528 /nfs/dbraw/zinc/20/55/28/1107205528.db2.gz QLAOVHZKUGQPEY-JOCHJYFZSA-N 1 0 365.477 4.083 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000530727602 1107290439 /nfs/dbraw/zinc/29/04/39/1107290439.db2.gz BLGOABTVCCMEMM-STQMWFEESA-N 1 0 361.829 4.234 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000530727609 1107291336 /nfs/dbraw/zinc/29/13/36/1107291336.db2.gz CIVBAWIISXAZPO-CXAGYDPISA-N 1 0 373.840 4.013 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000530965259 1107427724 /nfs/dbraw/zinc/42/77/24/1107427724.db2.gz KMAPEOGGHPZZEO-CJNGLKHVSA-N 1 0 373.840 4.013 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)C1CC1 ZINC000127388297 1107602611 /nfs/dbraw/zinc/60/26/11/1107602611.db2.gz GPUOTWNMCJYSKD-OALUTQOASA-N 1 0 358.482 4.387 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)CC(C)(C)OC)o2)c([N+](=O)[O-])c1 ZINC000237288521 1107622991 /nfs/dbraw/zinc/62/29/91/1107622991.db2.gz YPUSVVLRCMUUKE-ZDUSSCGKSA-N 1 0 362.426 4.157 20 5 FIBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@](C)(OC)CC3)o2)c([N+](=O)[O-])c1 ZINC000475571872 1107773339 /nfs/dbraw/zinc/77/33/39/1107773339.db2.gz NZAXLLNIKWYPMB-HXUWFJFHSA-N 1 0 374.437 4.254 20 5 FIBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@](C)(OC)CC3)o2)c([N+](=O)[O-])c1 ZINC000475571871 1107773727 /nfs/dbraw/zinc/77/37/27/1107773727.db2.gz NZAXLLNIKWYPMB-FQEVSTJZSA-N 1 0 374.437 4.254 20 5 FIBDRO CCCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(F)cc1 ZINC000520174126 1107945409 /nfs/dbraw/zinc/94/54/09/1107945409.db2.gz UZLIJZVJHASHGC-UHFFFAOYSA-N 1 0 370.384 4.196 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]CCOC3CCCCC3)o2)c([N+](=O)[O-])c1 ZINC000520213222 1108051792 /nfs/dbraw/zinc/05/17/92/1108051792.db2.gz MRJZPBVPPXRWCB-UHFFFAOYSA-N 1 0 374.437 4.302 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000531702721 1108084755 /nfs/dbraw/zinc/08/47/55/1108084755.db2.gz OUUSFNKCRVEKOM-SCTDSRPQSA-N 1 0 353.466 4.389 20 5 FIBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-c2ccncc2)cc1 ZINC000444684571 1108087345 /nfs/dbraw/zinc/08/73/45/1108087345.db2.gz NBYWKLZCQXJGTF-AWEZNQCLSA-N 1 0 373.416 4.384 20 5 FIBDRO Cc1cc(C)cc([C@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)c1 ZINC000444684698 1108087490 /nfs/dbraw/zinc/08/74/90/1108087490.db2.gz LEXGGGXGAWEPFT-HNNXBMFYSA-N 1 0 350.422 4.077 20 5 FIBDRO COc1cccc(N2CCC[C@H]([NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000531712106 1108091366 /nfs/dbraw/zinc/09/13/66/1108091366.db2.gz JRAOTTJACDVACI-IRXDYDNUSA-N 1 0 369.465 4.231 20 5 FIBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000520245027 1108191537 /nfs/dbraw/zinc/19/15/37/1108191537.db2.gz GWEZTOZOHSOUEX-KRWDZBQOSA-N 1 0 360.845 4.201 20 5 FIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000523451606 1108213431 /nfs/dbraw/zinc/21/34/31/1108213431.db2.gz LJADJUASULHGJA-PBHICJAKSA-N 1 0 356.397 4.390 20 5 FIBDRO Cc1c([C@H](C)[NH2+]CC2(c3ccc(F)cc3)CCOCC2)cccc1[N+](=O)[O-] ZINC000152056514 1108291459 /nfs/dbraw/zinc/29/14/59/1108291459.db2.gz OLUMUCVQVXNBLK-INIZCTEOSA-N 1 0 372.440 4.441 20 5 FIBDRO C[C@H]([NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000453279427 1108355628 /nfs/dbraw/zinc/35/56/28/1108355628.db2.gz IUVCYMNBXQDFDT-SJCJKPOMSA-N 1 0 368.355 4.388 20 5 FIBDRO CCC[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000453282834 1108358078 /nfs/dbraw/zinc/35/80/78/1108358078.db2.gz OIRVTEFUUOPZHJ-CRAIPNDOSA-N 1 0 361.486 4.050 20 5 FIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(Br)s1 ZINC000523701987 1108454629 /nfs/dbraw/zinc/45/46/29/1108454629.db2.gz BPKIOSLYRRQSLR-UHFFFAOYSA-N 1 0 355.257 4.093 20 5 FIBDRO Cc1ccc(CN(CCO)Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)o1 ZINC000475624146 1108560076 /nfs/dbraw/zinc/56/00/76/1108560076.db2.gz ZCYICBFNDWOWSY-UHFFFAOYSA-N 1 0 372.446 4.219 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)c(F)c1 ZINC000453625745 1108651349 /nfs/dbraw/zinc/65/13/49/1108651349.db2.gz ZEBCZMBXHRYHTP-IBGZPJMESA-N 1 0 358.413 4.118 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)s1 ZINC000532210146 1108710889 /nfs/dbraw/zinc/71/08/89/1108710889.db2.gz BDHSWNYRVSSJII-HNNXBMFYSA-N 1 0 354.435 4.214 20 5 FIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)s1 ZINC000532210147 1108711375 /nfs/dbraw/zinc/71/13/75/1108711375.db2.gz BDHSWNYRVSSJII-OAHLLOKOSA-N 1 0 354.435 4.214 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)N2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000532209751 1108711949 /nfs/dbraw/zinc/71/19/49/1108711949.db2.gz UVGUWQNFKSZFHL-ZFWWWQNUSA-N 1 0 359.495 4.062 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1cc2cccc(F)c2o1 ZINC000475699692 1108822264 /nfs/dbraw/zinc/82/22/64/1108822264.db2.gz XMCHWRGSFOFPMA-LBPRGKRZSA-N 1 0 371.368 4.078 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC000057555271 1108824728 /nfs/dbraw/zinc/82/47/28/1108824728.db2.gz MSIZYWOFDZZTML-CABCVRRESA-N 1 0 363.417 4.426 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000445991622 1109072211 /nfs/dbraw/zinc/07/22/11/1109072211.db2.gz HKJOHPTVEWMPME-OALUTQOASA-N 1 0 367.449 4.158 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000446488252 1109240660 /nfs/dbraw/zinc/24/06/60/1109240660.db2.gz KOZFQUTWYLDCLZ-UHFFFAOYSA-N 1 0 362.474 4.069 20 5 FIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(-c4ccccc4)s3)nc2c1 ZINC000446838480 1109360130 /nfs/dbraw/zinc/36/01/30/1109360130.db2.gz IWOJOZYTSMIPRO-UHFFFAOYSA-N 1 0 364.430 4.489 20 5 FIBDRO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000446846208 1109363765 /nfs/dbraw/zinc/36/37/65/1109363765.db2.gz WUTPTZWLNJUQGM-DLBZAZTESA-N 1 0 350.422 4.205 20 5 FIBDRO COc1cc(C[NH2+]C2CCC3(CC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000446976551 1109403180 /nfs/dbraw/zinc/40/31/80/1109403180.db2.gz WXRYQROQIXDWRZ-UHFFFAOYSA-N 1 0 370.396 4.060 20 5 FIBDRO C[C@@H]1C[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000525709015 1109487808 /nfs/dbraw/zinc/48/78/08/1109487808.db2.gz DCFGVVLHPVLAAA-RHSMWYFYSA-N 1 0 373.428 4.099 20 5 FIBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000447526838 1109562232 /nfs/dbraw/zinc/56/22/32/1109562232.db2.gz DNOGNSFPGAEKJK-IFXJQAMLSA-N 1 0 370.449 4.210 20 5 FIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2csc3ccccc23)n1 ZINC000447545517 1109574686 /nfs/dbraw/zinc/57/46/86/1109574686.db2.gz XJQCSXBZAUHAKV-IAGOWNOFSA-N 1 0 370.478 4.322 20 5 FIBDRO Cn1cc(-c2cccc(C[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)c2)cn1 ZINC000447589776 1109588737 /nfs/dbraw/zinc/58/87/37/1109588737.db2.gz YXFRUYYHVVPPAU-OAQYLSRUSA-N 1 0 362.433 4.163 20 5 FIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Cl)cc3c1OCC3)CCC2 ZINC000447600212 1109598923 /nfs/dbraw/zinc/59/89/23/1109598923.db2.gz ZVEGIDFETCTUEP-SFHVURJKSA-N 1 0 358.825 4.350 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000449060376 1109964390 /nfs/dbraw/zinc/96/43/90/1109964390.db2.gz FGQCTHXXXOOIIM-HNNXBMFYSA-N 1 0 367.474 4.482 20 5 FIBDRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000449080019 1109974908 /nfs/dbraw/zinc/97/49/08/1109974908.db2.gz RZBBKZODDKYYGN-HUUCEWRRSA-N 1 0 358.438 4.202 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000449099781 1109976025 /nfs/dbraw/zinc/97/60/25/1109976025.db2.gz UXHCIMBEGUQXLT-BSIFCXSSSA-N 1 0 354.450 4.283 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN([C@H](C)c2ccccc2)CC1 ZINC000449149186 1109985827 /nfs/dbraw/zinc/98/58/27/1109985827.db2.gz MLVOXXOWEWFSSN-QZTJIDSGSA-N 1 0 367.493 4.341 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000449155347 1109987095 /nfs/dbraw/zinc/98/70/95/1109987095.db2.gz BFZLFEZLRWQIDN-MDYRTPRTSA-N 1 0 373.522 4.260 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000449171170 1109988010 /nfs/dbraw/zinc/98/80/10/1109988010.db2.gz KIVOSNAKVAZYGD-DBXWQHBBSA-N 1 0 367.493 4.026 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000449202967 1109998318 /nfs/dbraw/zinc/99/83/18/1109998318.db2.gz JOJAFJIYOGCRKO-FMEYXAORSA-N 1 0 360.841 4.299 20 5 FIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000449240574 1110010055 /nfs/dbraw/zinc/01/00/55/1110010055.db2.gz ZOLSHAIHSNYSMZ-DJKXOVBDSA-N 1 0 358.413 4.175 20 5 FIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000449340514 1110032993 /nfs/dbraw/zinc/03/29/93/1110032993.db2.gz WQEXDRADFQYRMQ-HRAATJIYSA-N 1 0 366.461 4.210 20 5 FIBDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449348635 1110037221 /nfs/dbraw/zinc/03/72/21/1110037221.db2.gz MLNSMGLAHULFQW-GJZGRUSLSA-N 1 0 355.438 4.225 20 5 FIBDRO C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000449350841 1110039121 /nfs/dbraw/zinc/03/91/21/1110039121.db2.gz WWOMFOOVJILQTK-LBPRGKRZSA-N 1 0 362.813 4.260 20 5 FIBDRO CO[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H]1C ZINC000449492916 1110087361 /nfs/dbraw/zinc/08/73/61/1110087361.db2.gz CUQAUINPSIYPCN-PXAZEXFGSA-N 1 0 364.829 4.365 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000449517162 1110097456 /nfs/dbraw/zinc/09/74/56/1110097456.db2.gz JAUBNBBGFBUXOE-PZBSJLNOSA-N 1 0 356.466 4.279 20 5 FIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000449616500 1110132705 /nfs/dbraw/zinc/13/27/05/1110132705.db2.gz QEVPOLMBSPASIV-OXQOHEQNSA-N 1 0 355.438 4.123 20 5 FIBDRO CC(C)c1ccc(C[N@H+](C)C2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000449756793 1110164016 /nfs/dbraw/zinc/16/40/16/1110164016.db2.gz BXNDNMPULVUGMA-UHFFFAOYSA-N 1 0 373.419 4.177 20 5 FIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000449771563 1110166095 /nfs/dbraw/zinc/16/60/95/1110166095.db2.gz YPLHRPWYJADCAS-NTSMAEHXSA-N 1 0 358.463 4.163 20 5 FIBDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000728926618 1110169556 /nfs/dbraw/zinc/16/95/56/1110169556.db2.gz LUAFRLSQGYAGHT-UHFFFAOYSA-N 1 0 368.412 4.189 20 5 FIBDRO CCCC[N@H+](C)CC1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450263280 1110272622 /nfs/dbraw/zinc/27/26/22/1110272622.db2.gz BDBVMHFQNXQORB-UHFFFAOYSA-N 1 0 356.470 4.091 20 5 FIBDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000538355033 1111107798 /nfs/dbraw/zinc/10/77/98/1111107798.db2.gz DSSKZJDJXODFCQ-FZKQIMNGSA-N 1 0 366.421 4.002 20 5 FIBDRO Cc1cc(C[NH+](C)C)cc(N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000538547705 1111188431 /nfs/dbraw/zinc/18/84/31/1111188431.db2.gz AYIDBDQKHIJWLZ-HXUWFJFHSA-N 1 0 353.466 4.398 20 5 FIBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1nc(-c2ccncc2)cs1 ZINC000538609432 1111219483 /nfs/dbraw/zinc/21/94/83/1111219483.db2.gz BMIYAHHGEUXLIC-KXQLTZBTSA-N 1 0 366.446 4.477 20 5 FIBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000461453597 1111230665 /nfs/dbraw/zinc/23/06/65/1111230665.db2.gz ZFKLHKRAASDLNA-MRXNPFEDSA-N 1 0 364.243 4.072 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@H](C4CCOCC4)C3)o2)c1 ZINC000538750083 1111280711 /nfs/dbraw/zinc/28/07/11/1111280711.db2.gz ZBYBNBGRVVBZGK-KRWDZBQOSA-N 1 0 356.422 4.103 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCO[C@H](C(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000538967215 1111362832 /nfs/dbraw/zinc/36/28/32/1111362832.db2.gz CWTGXMUBVZASLB-XOBRGWDASA-N 1 0 374.437 4.157 20 5 FIBDRO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539061474 1111407261 /nfs/dbraw/zinc/40/72/61/1111407261.db2.gz ZKQTUPDREASVAN-ORPWPGRKSA-N 1 0 366.508 4.131 20 5 FIBDRO Cc1cc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461950236 1111436670 /nfs/dbraw/zinc/43/66/70/1111436670.db2.gz UPNCSLPTOCQEFP-CQSZACIVSA-N 1 0 358.417 4.075 20 5 FIBDRO CCSc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000539302093 1111512449 /nfs/dbraw/zinc/51/24/49/1111512449.db2.gz ZVZCGFRSEWXLTL-AWEZNQCLSA-N 1 0 373.478 4.305 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1c(F)cncc1F ZINC000552093315 1111572742 /nfs/dbraw/zinc/57/27/42/1111572742.db2.gz CNQODFRCJGHBRY-VXGBXAGGSA-N 1 0 367.421 4.490 20 5 FIBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)CCOc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000478051478 1111666765 /nfs/dbraw/zinc/66/67/65/1111666765.db2.gz CBSZQFXGWYSSND-INIZCTEOSA-N 1 0 361.467 4.002 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC1(c2ccccn2)CCC1 ZINC000552335122 1111673167 /nfs/dbraw/zinc/67/31/67/1111673167.db2.gz JQXNKRUQJWXFFC-IEBWSBKVSA-N 1 0 365.477 4.413 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccccn2)CCC1 ZINC000552335124 1111673759 /nfs/dbraw/zinc/67/37/59/1111673759.db2.gz JQXNKRUQJWXFFC-PKOBYXMFSA-N 1 0 365.477 4.413 20 5 FIBDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000552406916 1111697742 /nfs/dbraw/zinc/69/77/42/1111697742.db2.gz XNUTVXOCPPFBFP-FQEVSTJZSA-N 1 0 358.438 4.085 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000553528706 1111995273 /nfs/dbraw/zinc/99/52/73/1111995273.db2.gz FONJVZUDTCPVEW-LBPRGKRZSA-N 1 0 362.813 4.179 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)c1cccc(OC(C)C)c1 ZINC000128363319 1112253971 /nfs/dbraw/zinc/25/39/71/1112253971.db2.gz RBLAEXQRBQSLPJ-FOIQADDNSA-N 1 0 358.438 4.075 20 5 FIBDRO CC(C)Oc1ccc([C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000554372089 1112313773 /nfs/dbraw/zinc/31/37/73/1112313773.db2.gz GTYMCIAPWCCHIR-IERDGZPVSA-N 1 0 371.481 4.336 20 5 FIBDRO CC[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000480278556 1112370627 /nfs/dbraw/zinc/37/06/27/1112370627.db2.gz PAHYEOBISPWQIK-SFTDATJTSA-N 1 0 353.466 4.473 20 5 FIBDRO COc1ccc(C[NH2+]CC=C(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000480305612 1112378778 /nfs/dbraw/zinc/37/87/78/1112378778.db2.gz OLMISAOALXJQAX-UHFFFAOYSA-N 1 0 356.422 4.238 20 5 FIBDRO Cc1c(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)cccc1[N+](=O)[O-] ZINC000480471543 1112442388 /nfs/dbraw/zinc/44/23/88/1112442388.db2.gz OYFVFSNAQLPZKM-UHFFFAOYSA-N 1 0 372.318 4.273 20 5 FIBDRO Cc1c(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)cccc1[N+](=O)[O-] ZINC000480485369 1112448690 /nfs/dbraw/zinc/44/86/90/1112448690.db2.gz CCHRSTWYGJKTIT-UHFFFAOYSA-N 1 0 351.381 4.394 20 5 FIBDRO Cc1oc(-c2ccccc2)nc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554847192 1112527536 /nfs/dbraw/zinc/52/75/36/1112527536.db2.gz SNSKCXDKKOCIDW-UHFFFAOYSA-N 1 0 351.406 4.233 20 5 FIBDRO COc1ccccc1O[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000554873671 1112539642 /nfs/dbraw/zinc/53/96/42/1112539642.db2.gz PDEDTLRHGODNGH-YOCVDRLZSA-N 1 0 368.433 4.160 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000480747368 1112576098 /nfs/dbraw/zinc/57/60/98/1112576098.db2.gz SZBVOZSCQNDLBI-UONOGXRCSA-N 1 0 356.451 4.259 20 5 FIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccnc3ccccc23)cc(C(F)(F)F)c1 ZINC000555518393 1112909279 /nfs/dbraw/zinc/90/92/79/1112909279.db2.gz XSCYDRGWGCOBMA-UHFFFAOYSA-N 1 0 361.323 4.452 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1cc[nH]c(=O)c1 ZINC000555608424 1112944430 /nfs/dbraw/zinc/94/44/30/1112944430.db2.gz JVNBBRKTQCMVNY-GFCCVEGCSA-N 1 0 355.419 4.275 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000159997414 1113277931 /nfs/dbraw/zinc/27/79/31/1113277931.db2.gz ZEFNSRAUPVZBBY-CQSZACIVSA-N 1 0 373.419 4.218 20 5 FIBDRO Cc1c([C@H](C)[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000249176951 1113378828 /nfs/dbraw/zinc/37/88/28/1113378828.db2.gz FXGPPFZKIMSLGK-WOSRLPQWSA-N 1 0 360.376 4.037 20 5 FIBDRO COc1cnccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000249184372 1113388534 /nfs/dbraw/zinc/38/85/34/1113388534.db2.gz JYXULMSTZVZYQM-RLFYNMQTSA-N 1 0 355.438 4.060 20 5 FIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC(C)CC3)nc2)cc1[N+](=O)[O-] ZINC000160483087 1113391407 /nfs/dbraw/zinc/39/14/07/1113391407.db2.gz NFHCIKMVDQRHRF-QGZVFWFLSA-N 1 0 368.481 4.385 20 5 FIBDRO Cc1cccc(CC2(O)CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000482945381 1113405372 /nfs/dbraw/zinc/40/53/72/1113405372.db2.gz IJTGLPQVQVDIBD-GOSISDBHSA-N 1 0 368.477 4.342 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](c2c(F)cccc2F)N(C)C)cc1[N+](=O)[O-] ZINC000483138249 1113446182 /nfs/dbraw/zinc/44/61/82/1113446182.db2.gz AFABCVAEVSFIGI-SCLBCKFNSA-N 1 0 363.408 4.135 20 5 FIBDRO CCOc1cc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1OC ZINC000483134545 1113449843 /nfs/dbraw/zinc/44/98/43/1113449843.db2.gz BQANFJGOHQMWKN-GOSISDBHSA-N 1 0 370.449 4.113 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](CC3CC3)CC3CCC3)o2)c1 ZINC000483271380 1113477780 /nfs/dbraw/zinc/47/77/80/1113477780.db2.gz RMKSKNKSVVFFOC-UHFFFAOYSA-N 1 0 355.438 4.304 20 5 FIBDRO C[C@H](O)C[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000192956878 1113618813 /nfs/dbraw/zinc/61/88/13/1113618813.db2.gz BLXBWHXLVBSDKF-UQASEVPWSA-N 1 0 354.450 4.117 20 5 FIBDRO CSc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000028162885 1113859729 /nfs/dbraw/zinc/85/97/29/1113859729.db2.gz YXSKZXJUGHPPTH-UHFFFAOYSA-N 1 0 371.462 4.165 20 5 FIBDRO COc1ccc(C[NH2+][C@H](c2ccc(F)cc2F)C(C)C)cc1[N+](=O)[O-] ZINC000150874440 1114145683 /nfs/dbraw/zinc/14/56/83/1114145683.db2.gz FVKVIJMDELIEIA-SFHVURJKSA-N 1 0 350.365 4.369 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)ccc1[N+](=O)[O-] ZINC000490083614 1114216600 /nfs/dbraw/zinc/21/66/00/1114216600.db2.gz BDYCKLKVDCEEFC-GOSISDBHSA-N 1 0 355.438 4.007 20 5 FIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000490301610 1114265012 /nfs/dbraw/zinc/26/50/12/1114265012.db2.gz QOBHWAUJPPBYJB-CYBMUJFWSA-N 1 0 362.376 4.477 20 5 FIBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491089491 1114371945 /nfs/dbraw/zinc/37/19/45/1114371945.db2.gz GBNRCWMPEIVJLJ-CQSZACIVSA-N 1 0 370.396 4.012 20 5 FIBDRO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000055152141 1114421769 /nfs/dbraw/zinc/42/17/69/1114421769.db2.gz RNSVBDKJOOHGKJ-GJZGRUSLSA-N 1 0 371.437 4.060 20 5 FIBDRO C[C@H](c1ccc(OC(F)F)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000571392222 1114461007 /nfs/dbraw/zinc/46/10/07/1114461007.db2.gz PHYGZPRENZEEBD-GFCCVEGCSA-N 1 0 364.348 4.152 20 5 FIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000156819078 1114596703 /nfs/dbraw/zinc/59/67/03/1114596703.db2.gz FKQQTAGWPOWJTF-UHFFFAOYSA-N 1 0 353.422 4.060 20 5 FIBDRO Cc1ccc(C[NH2+]C[C@H](c2ccc(OC(C)C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000572200116 1114621527 /nfs/dbraw/zinc/62/15/27/1114621527.db2.gz JVAQHVQWFLELFT-OAQYLSRUSA-N 1 0 371.481 4.083 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]CCC2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000572409376 1114635924 /nfs/dbraw/zinc/63/59/24/1114635924.db2.gz KVAVAWWKIXLSOV-HPUBIQBYSA-N 1 0 350.459 4.239 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1Cl ZINC000056197415 1114658179 /nfs/dbraw/zinc/65/81/79/1114658179.db2.gz GQFYMTPSCQKMET-WDEREUQCSA-N 1 0 365.792 4.065 20 5 FIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000588930218 1114676845 /nfs/dbraw/zinc/67/68/45/1114676845.db2.gz UBOQZXIOULZKNG-ZGUWOUCSSA-N 1 0 360.841 4.017 20 5 FIBDRO CC(C)c1ccc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000588930130 1114676888 /nfs/dbraw/zinc/67/68/88/1114676888.db2.gz LFHDPDUVYMHJBY-INIZCTEOSA-N 1 0 362.857 4.237 20 5 FIBDRO O=C(CC[NH2+][C@@H](CC1CC1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000591023407 1115016519 /nfs/dbraw/zinc/01/65/19/1115016519.db2.gz IISUKNSENNFFJJ-SFHVURJKSA-N 1 0 353.422 4.054 20 5 FIBDRO O=C(CC[NH2+][C@H](CC1CC1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000591023406 1115016677 /nfs/dbraw/zinc/01/66/77/1115016677.db2.gz IISUKNSENNFFJJ-GOSISDBHSA-N 1 0 353.422 4.054 20 5 FIBDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591348043 1115068405 /nfs/dbraw/zinc/06/84/05/1115068405.db2.gz YCPMHGRILGSIQP-PMACEKPBSA-N 1 0 368.433 4.484 20 5 FIBDRO Cn1nc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000591348127 1115068422 /nfs/dbraw/zinc/06/84/22/1115068422.db2.gz TVCAETWPBOGHNE-GOSISDBHSA-N 1 0 350.422 4.039 20 5 FIBDRO CCc1ccc([C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000591582547 1115109706 /nfs/dbraw/zinc/10/97/06/1115109706.db2.gz KAAOHGMACATAMH-OXJNMPFZSA-N 1 0 369.465 4.104 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@@H]4OCCC[C@@H]34)o2)c(Cl)c1 ZINC000249844046 1115166432 /nfs/dbraw/zinc/16/64/32/1115166432.db2.gz OBUOYEMOCMXLGE-LESCRADOSA-N 1 0 362.813 4.165 20 5 FIBDRO Cc1ccc(-c2nn(C)cc2C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000592365393 1115283269 /nfs/dbraw/zinc/28/32/69/1115283269.db2.gz QZHPJIUCBJUOGX-AWEZNQCLSA-N 1 0 354.410 4.056 20 5 FIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000574052791 1115287832 /nfs/dbraw/zinc/28/78/32/1115287832.db2.gz BWQHSKWDGWQSBT-RYGJVYDSSA-N 1 0 352.434 4.340 20 5 FIBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594513781 1115457103 /nfs/dbraw/zinc/45/71/03/1115457103.db2.gz HIVDYXBQEPZNTD-FPMFFAJLSA-N 1 0 368.499 4.138 20 5 FIBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000594518922 1115458177 /nfs/dbraw/zinc/45/81/77/1115458177.db2.gz RAHQTKXAIYQLGM-QWHCGFSZSA-N 1 0 369.412 4.116 20 5 FIBDRO COc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000594518527 1115458481 /nfs/dbraw/zinc/45/84/81/1115458481.db2.gz HHQRMGZFQMDXFI-RTBURBONSA-N 1 0 368.433 4.484 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](C)c3ccccn3)o2)c([N+](=O)[O-])c1 ZINC000594956011 1115501976 /nfs/dbraw/zinc/50/19/76/1115501976.db2.gz SVABXDHOOPQFKD-CQSZACIVSA-N 1 0 367.405 4.152 20 5 FIBDRO COc1cc(C[NH2+][C@@]23C[C@@H]2CCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594951000 1115502246 /nfs/dbraw/zinc/50/22/46/1115502246.db2.gz MALPEWOSUWONEM-UWJYYQICSA-N 1 0 368.433 4.215 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000595015892 1115503850 /nfs/dbraw/zinc/50/38/50/1115503850.db2.gz VKFJVSGFZPDYEL-DKICVRJWSA-N 1 0 356.422 4.032 20 5 FIBDRO O=[N+]([O-])c1cc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cs1 ZINC000595001185 1115506838 /nfs/dbraw/zinc/50/68/38/1115506838.db2.gz RNXNSNLBOAMBQD-GOSISDBHSA-N 1 0 371.506 4.048 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(NC(=O)C(C)C)cc1 ZINC000595003740 1115507515 /nfs/dbraw/zinc/50/75/15/1115507515.db2.gz LESCJLDGNYWGTE-CQSZACIVSA-N 1 0 371.437 4.049 20 5 FIBDRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1OC ZINC000595005627 1115507635 /nfs/dbraw/zinc/50/76/35/1115507635.db2.gz BTVFNDWTLCJALT-KGLIPLIRSA-N 1 0 374.437 4.341 20 5 FIBDRO CCC[C@@H]([NH2+][C@@H](COC)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000595069816 1115509796 /nfs/dbraw/zinc/50/97/96/1115509796.db2.gz SIVWGSMYXCRURN-UXHICEINSA-N 1 0 358.438 4.422 20 5 FIBDRO CCC[C@@H]([NH2+][C@H](COC)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000595069820 1115509921 /nfs/dbraw/zinc/50/99/21/1115509921.db2.gz SIVWGSMYXCRURN-WOJBJXKFSA-N 1 0 358.438 4.422 20 5 FIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(F)F)nc1 ZINC000595031783 1115510524 /nfs/dbraw/zinc/51/05/24/1115510524.db2.gz DSOKNXMGJSTHQW-SNVBAGLBSA-N 1 0 355.772 4.474 20 5 FIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000595037329 1115510531 /nfs/dbraw/zinc/51/05/31/1115510531.db2.gz DZZOGEYHUBJFFY-IUUKEHGRSA-N 1 0 362.451 4.018 20 5 FIBDRO CC1(C)C[C@H]([NH2+]CCc2noc3ccccc32)c2cc([N+](=O)[O-])ccc21 ZINC000595047848 1115512042 /nfs/dbraw/zinc/51/20/42/1115512042.db2.gz GCUFLFSZRWYVNG-SFHVURJKSA-N 1 0 351.406 4.291 20 5 FIBDRO COc1cccc(C2([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3OC)CCC2)c1 ZINC000595092996 1115517456 /nfs/dbraw/zinc/51/74/56/1115517456.db2.gz DBAYIPLSOXJSFG-CQSZACIVSA-N 1 0 356.422 4.342 20 5 FIBDRO Cn1ccnc1[C@H]([NH2+]C1CCC(C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595094306 1115517931 /nfs/dbraw/zinc/51/79/31/1115517931.db2.gz WBCCFFRVBDKCHM-OUNSHVDWSA-N 1 0 368.481 4.366 20 5 FIBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000595431745 1115536177 /nfs/dbraw/zinc/53/61/77/1115536177.db2.gz GYZRKJKGQZNMHA-MJGOQNOKSA-N 1 0 362.376 4.225 20 5 FIBDRO CC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000593020576 1115538593 /nfs/dbraw/zinc/53/85/93/1115538593.db2.gz POKMPBIKGNFWAU-INIZCTEOSA-N 1 0 362.813 4.276 20 5 FIBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCCC2 ZINC000575218234 1115549057 /nfs/dbraw/zinc/54/90/57/1115549057.db2.gz XCFUVCQWZLHUBQ-QZTJIDSGSA-N 1 0 371.437 4.077 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)C1CCC(F)CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595817716 1115562362 /nfs/dbraw/zinc/56/23/62/1115562362.db2.gz BQBJHWFMTYVKBA-YKQCJFHZSA-N 1 0 362.405 4.212 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cnccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000596114398 1115576116 /nfs/dbraw/zinc/57/61/16/1115576116.db2.gz BIOBNOAPZYPUNS-LLVKDONJSA-N 1 0 369.343 4.258 20 5 FIBDRO Cc1cccc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1C ZINC000129875700 1115643835 /nfs/dbraw/zinc/64/38/35/1115643835.db2.gz CPPXZMRTKRWMFW-AWEZNQCLSA-N 1 0 359.401 4.030 20 5 FIBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C34CCC(C(F)(F)F)(CC3)CC4)nc2c1 ZINC000602641428 1115716095 /nfs/dbraw/zinc/71/60/95/1115716095.db2.gz RKQJKZQQQVQDQM-UHFFFAOYSA-N 1 0 369.343 4.481 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4cccnc4)C3)co2)cc1 ZINC000602853082 1115728649 /nfs/dbraw/zinc/72/86/49/1115728649.db2.gz GULDHSRTGJNOCP-KRWDZBQOSA-N 1 0 364.405 4.024 20 5 FIBDRO CC(C)c1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000061013971 1115749818 /nfs/dbraw/zinc/74/98/18/1115749818.db2.gz MFJGVDZYDMHNNP-LJQANCHMSA-N 1 0 357.454 4.238 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061030296 1115755327 /nfs/dbraw/zinc/75/53/27/1115755327.db2.gz QNWNZHNSGAWFPM-CQSZACIVSA-N 1 0 356.422 4.071 20 5 FIBDRO C[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1)c1cccc([N+](=O)[O-])c1 ZINC000598955562 1115772850 /nfs/dbraw/zinc/77/28/50/1115772850.db2.gz OZSWGXVESWEGOK-GFCCVEGCSA-N 1 0 362.451 4.462 20 5 FIBDRO CCC(F)(F)C(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000599001834 1115776079 /nfs/dbraw/zinc/77/60/79/1115776079.db2.gz WZGWULCZZKAYAZ-UHFFFAOYSA-N 1 0 352.328 4.357 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](OC)c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000599054596 1115786242 /nfs/dbraw/zinc/78/62/42/1115786242.db2.gz CHOMWDXTUUVHHY-XOBRGWDASA-N 1 0 374.437 4.040 20 5 FIBDRO CCc1ccc([C@@H](NC[C@H]2CCCC[N@H+](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000599072034 1115786990 /nfs/dbraw/zinc/78/69/90/1115786990.db2.gz WZELYUUUCZYSPF-IERDGZPVSA-N 1 0 371.481 4.161 20 5 FIBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000603643164 1115800934 /nfs/dbraw/zinc/80/09/34/1115800934.db2.gz RUTGGRKUVFBUNN-IBGZPJMESA-N 1 0 370.453 4.108 20 5 FIBDRO O=[N+]([O-])c1c(NC[C@H](c2ccccc2)[NH+]2CCCC2)ccc2ncccc21 ZINC000603839074 1115818435 /nfs/dbraw/zinc/81/84/35/1115818435.db2.gz NXHLNEYEVKZBSN-HXUWFJFHSA-N 1 0 362.433 4.392 20 5 FIBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3ncccc3[N+](=O)[O-])cc2)C1 ZINC000603862715 1115822955 /nfs/dbraw/zinc/82/29/55/1115822955.db2.gz WNQJNDWEVBGWDX-IYBDPMFKSA-N 1 0 354.454 4.080 20 5 FIBDRO COc1cc(CN(C)Cc2cccc(C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000603859936 1115825348 /nfs/dbraw/zinc/82/53/48/1115825348.db2.gz LAWJJZQGDXKFTO-UHFFFAOYSA-N 1 0 366.364 4.145 20 5 FIBDRO CCOc1cc(C[NH2+]C(C)(C)c2ccc(OC)c(F)c2)ccc1[N+](=O)[O-] ZINC000599598813 1115827155 /nfs/dbraw/zinc/82/71/55/1115827155.db2.gz WSLOEZRSRRMEKH-UHFFFAOYSA-N 1 0 362.401 4.166 20 5 FIBDRO C/C=C\C[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000599689601 1115836136 /nfs/dbraw/zinc/83/61/36/1115836136.db2.gz JZYKUYLKBPCGIW-VUBDOFJKSA-N 1 0 356.426 4.384 20 5 FIBDRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604012521 1115840721 /nfs/dbraw/zinc/84/07/21/1115840721.db2.gz LNGOPYGOXLJEEY-CYBMUJFWSA-N 1 0 350.365 4.335 20 5 FIBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(OC(F)F)cc1 ZINC000604012724 1115840870 /nfs/dbraw/zinc/84/08/70/1115840870.db2.gz VJUAKBRXVDWYGT-UHFFFAOYSA-N 1 0 366.364 4.097 20 5 FIBDRO Cc1ccc(CCC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000604478859 1115866467 /nfs/dbraw/zinc/86/64/67/1115866467.db2.gz ZQMVONHPFSXVDE-QGZVFWFLSA-N 1 0 369.465 4.151 20 5 FIBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1F ZINC000594020205 1115962152 /nfs/dbraw/zinc/96/21/52/1115962152.db2.gz ZYUMAPAXVZGCPJ-XJKSGUPXSA-N 1 0 359.401 4.110 20 5 FIBDRO COc1ccc(-c2ccc(C[NH2+]CCc3ccccc3F)o2)c([N+](=O)[O-])c1 ZINC000608835463 1116130965 /nfs/dbraw/zinc/13/09/65/1116130965.db2.gz JXARCEPMRIYLAR-UHFFFAOYSA-N 1 0 370.380 4.335 20 5 FIBDRO CC(C)[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCCC1 ZINC000608835643 1116130980 /nfs/dbraw/zinc/13/09/80/1116130980.db2.gz GJPILWHAXRJSLV-IBGZPJMESA-N 1 0 357.454 4.065 20 5 FIBDRO Cc1ccccc1OCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000608836362 1116131178 /nfs/dbraw/zinc/13/11/78/1116131178.db2.gz ARDQJVDZRFEULI-UHFFFAOYSA-N 1 0 352.390 4.332 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3COc4ccccc4C3)s2)cc1 ZINC000608836941 1116131309 /nfs/dbraw/zinc/13/13/09/1116131309.db2.gz BAOKEJGKWHOBKP-MRXNPFEDSA-N 1 0 366.442 4.417 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](CC3CC3)C3CCCCC3)n2)c1 ZINC000609040629 1116142277 /nfs/dbraw/zinc/14/22/77/1116142277.db2.gz QYUIXONGKNDMCK-UHFFFAOYSA-N 1 0 356.426 4.190 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CCCn2cnc3ccccc32)cc1[N+](=O)[O-] ZINC000152651782 1116159224 /nfs/dbraw/zinc/15/92/24/1116159224.db2.gz UEYNAZFBBGASHP-HNNXBMFYSA-N 1 0 368.437 4.084 20 5 FIBDRO C[C@]1(c2ccccc2)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534108678 1116161245 /nfs/dbraw/zinc/16/12/45/1116161245.db2.gz KYAPHSVMBGKATB-NRFANRHFSA-N 1 0 363.417 4.413 20 5 FIBDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594517422 1116207939 /nfs/dbraw/zinc/20/79/39/1116207939.db2.gz BWYQHHVSMRVCDS-ZWKOTPCHSA-N 1 0 368.433 4.038 20 5 FIBDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4cccc([N+](=O)[O-])c4)C3)nc2c1 ZINC000534951685 1116255373 /nfs/dbraw/zinc/25/53/73/1116255373.db2.gz HPLBRGIJYSNIBI-INIZCTEOSA-N 1 0 350.422 4.159 20 5 FIBDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000534976557 1116257380 /nfs/dbraw/zinc/25/73/80/1116257380.db2.gz NVXZOWRDTHTLAS-LBPRGKRZSA-N 1 0 364.829 4.290 20 5 FIBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089910132 1116351580 /nfs/dbraw/zinc/35/15/80/1116351580.db2.gz GDTJWQBWVOVCQQ-CQSZACIVSA-N 1 0 367.405 4.018 20 5 FIBDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000539681462 1116365654 /nfs/dbraw/zinc/36/56/54/1116365654.db2.gz LRRRKQQWJWMTPL-MTFMMBMASA-N 1 0 360.498 4.489 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC000539765065 1116377515 /nfs/dbraw/zinc/37/75/15/1116377515.db2.gz JFHRJULGRJGSSB-QGZVFWFLSA-N 1 0 369.469 4.140 20 5 FIBDRO CC(C)(C)OC(=O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000462730680 1117739248 /nfs/dbraw/zinc/73/92/48/1117739248.db2.gz XBAHJKPQVIQHSU-UHFFFAOYSA-N 1 0 362.451 4.145 20 5 FIBDRO O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H]3CC[N@H+](CC4CCCC4)C3)o2)c1 ZINC000462740094 1117743510 /nfs/dbraw/zinc/74/35/10/1117743510.db2.gz RINRXMUPGGGFBU-GOSISDBHSA-N 1 0 369.465 4.209 20 5 FIBDRO Cc1ccc(-c2n[nH]cc2C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000462762715 1117753499 /nfs/dbraw/zinc/75/34/99/1117753499.db2.gz NIPRPOOXVXVCTI-UHFFFAOYSA-N 1 0 364.449 4.406 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCC[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000462757102 1117756991 /nfs/dbraw/zinc/75/69/91/1117756991.db2.gz XNCZPSNIDVJAOV-NHCUHLMSSA-N 1 0 369.465 4.003 20 5 FIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCC[C@@]2(C)CO)cc1[N+](=O)[O-] ZINC000462757104 1117757281 /nfs/dbraw/zinc/75/72/81/1117757281.db2.gz XNCZPSNIDVJAOV-RTWAWAEBSA-N 1 0 369.465 4.003 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000540154323 1117908113 /nfs/dbraw/zinc/90/81/13/1117908113.db2.gz YRFBMTOIKXBRFO-CABCVRRESA-N 1 0 366.421 4.408 20 5 FIBDRO Cc1cnc(NCc2ccccc2C[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000463052381 1117941531 /nfs/dbraw/zinc/94/15/31/1117941531.db2.gz CHAJQYDMLVFQRF-UHFFFAOYSA-N 1 0 354.454 4.286 20 5 FIBDRO CCC[C@H](NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000540476991 1118078885 /nfs/dbraw/zinc/07/88/85/1118078885.db2.gz GUGPUYXIJUXFQF-APWZRJJASA-N 1 0 369.465 4.211 20 5 FIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000540468079 1118083135 /nfs/dbraw/zinc/08/31/35/1118083135.db2.gz HXDNJABSKBIWCX-LTCOOKNTSA-N 1 0 362.495 4.013 20 5 FIBDRO C[C@@H](CCO)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1 ZINC000540643641 1118170100 /nfs/dbraw/zinc/17/01/00/1118170100.db2.gz NYWBVXRVJHYVRS-HNNXBMFYSA-N 1 0 358.438 4.133 20 5 FIBDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000541203965 1118423044 /nfs/dbraw/zinc/42/30/44/1118423044.db2.gz NHMFWWNPWGDSDL-QWHCGFSZSA-N 1 0 364.829 4.290 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000541566006 1118557193 /nfs/dbraw/zinc/55/71/93/1118557193.db2.gz GSHPEVRMFAJZRX-OAHLLOKOSA-N 1 0 358.438 4.489 20 5 FIBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000541626453 1118587006 /nfs/dbraw/zinc/58/70/06/1118587006.db2.gz YWFLUAGDWLRPNI-GWCFXTLKSA-N 1 0 367.858 4.378 20 5 FIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541701961 1118616896 /nfs/dbraw/zinc/61/68/96/1118616896.db2.gz ZTWZRZBPLQGYGD-XLIONFOSSA-N 1 0 374.412 4.095 20 5 FIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000541761981 1118634682 /nfs/dbraw/zinc/63/46/82/1118634682.db2.gz FHRDKQJSUDGCKG-MAUKXSAKSA-N 1 0 364.804 4.397 20 5 FIBDRO C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464783562 1118693431 /nfs/dbraw/zinc/69/34/31/1118693431.db2.gz MGQNPPYUWMBDDI-OXJNMPFZSA-N 1 0 362.470 4.033 20 5 FIBDRO C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464783564 1118693703 /nfs/dbraw/zinc/69/37/03/1118693703.db2.gz MGQNPPYUWMBDDI-UZLBHIALSA-N 1 0 362.470 4.033 20 5 FIBDRO CO[C@@H](C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(C)C ZINC000465005654 1118787154 /nfs/dbraw/zinc/78/71/54/1118787154.db2.gz PNRIWRPCTBANEJ-IBGZPJMESA-N 1 0 362.401 4.287 20 5 FIBDRO CO[C@H](C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(C)C ZINC000465005655 1118787362 /nfs/dbraw/zinc/78/73/62/1118787362.db2.gz PNRIWRPCTBANEJ-LJQANCHMSA-N 1 0 362.401 4.287 20 5 FIBDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000271751601 1118800490 /nfs/dbraw/zinc/80/04/90/1118800490.db2.gz KVQUOHBNEDCKDO-GFCCVEGCSA-N 1 0 373.840 4.448 20 5 FIBDRO C[C@@]1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO[C@@H]1C1CC1 ZINC000542313684 1118898804 /nfs/dbraw/zinc/89/88/04/1118898804.db2.gz CXWUYBHNOOUATE-RTBURBONSA-N 1 0 358.463 4.371 20 5 FIBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000542314561 1118899225 /nfs/dbraw/zinc/89/92/25/1118899225.db2.gz LTNNOUXCUUXJQZ-BFUOFWGJSA-N 1 0 360.385 4.183 20 5 FIBDRO Cc1cccc([C@H]2CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000542318076 1118900269 /nfs/dbraw/zinc/90/02/69/1118900269.db2.gz RMCUEXOWXKWWCA-SFHVURJKSA-N 1 0 367.449 4.030 20 5 FIBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](CCO)c1ccccc1 ZINC000549861111 1118944829 /nfs/dbraw/zinc/94/48/29/1118944829.db2.gz ZJKDIOAURIMJNW-QGZVFWFLSA-N 1 0 368.355 4.169 20 5 FIBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC000492466952 1119099412 /nfs/dbraw/zinc/09/94/12/1119099412.db2.gz ZWMDOQNRVPUMAC-SFHVURJKSA-N 1 0 356.422 4.339 20 5 FIBDRO CCOc1cc(C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)ccc1[N+](=O)[O-] ZINC000492581881 1119135731 /nfs/dbraw/zinc/13/57/31/1119135731.db2.gz KAKCQTGJBWDXBQ-FQEVSTJZSA-N 1 0 358.438 4.489 20 5 FIBDRO CCOc1cc(C[NH2+][C@H](C)c2ccccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000492725217 1119173106 /nfs/dbraw/zinc/17/31/06/1119173106.db2.gz WRJZIZMCNOXLLW-GFCCVEGCSA-N 1 0 366.364 4.446 20 5 FIBDRO CCOc1cc(C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)ccc1[N+](=O)[O-] ZINC000492747308 1119177988 /nfs/dbraw/zinc/17/79/88/1119177988.db2.gz LBUXEZUIHDJUEP-OAHLLOKOSA-N 1 0 366.421 4.030 20 5 FIBDRO COc1cc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000492756832 1119184748 /nfs/dbraw/zinc/18/47/48/1119184748.db2.gz MDCGOJOLVJWDEH-LLVKDONJSA-N 1 0 370.327 4.353 20 5 FIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)cc1OCC ZINC000492937234 1119218478 /nfs/dbraw/zinc/21/84/78/1119218478.db2.gz QGVWFFMKYKEIMR-CQSZACIVSA-N 1 0 374.437 4.252 20 5 FIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761507056 1119402996 /nfs/dbraw/zinc/40/29/96/1119402996.db2.gz SPEVNLIDPAOMRD-IJEWVQPXSA-N 1 0 351.878 4.085 20 5 FIBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)cc1Cl ZINC000761511767 1119405928 /nfs/dbraw/zinc/40/59/28/1119405928.db2.gz PDQZUBXKIPPARG-GOSISDBHSA-N 1 0 360.841 4.120 20 5 FIBDRO C[C@@H](COc1ccc(F)cc1F)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761521452 1119409464 /nfs/dbraw/zinc/40/94/64/1119409464.db2.gz HHFBXEPTMDFHND-JTQLQIEISA-N 1 0 356.756 4.084 20 5 FIBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CN1Cc1ccccc1 ZINC000761526498 1119410072 /nfs/dbraw/zinc/41/00/72/1119410072.db2.gz FDENJPUGQSEMJT-PBHICJAKSA-N 1 0 359.857 4.001 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)c3ccsc3)s2)cc1 ZINC000152515360 1119432757 /nfs/dbraw/zinc/43/27/57/1119432757.db2.gz INVWPLCWYZTBPG-INIZCTEOSA-N 1 0 360.460 4.208 20 5 FIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCc2nccs2)c2ccccc2)c1 ZINC000494027177 1119526766 /nfs/dbraw/zinc/52/67/66/1119526766.db2.gz GMFSZJFRBXGIKU-IBGZPJMESA-N 1 0 353.447 4.363 20 5 FIBDRO CCc1ccc([C@@H](NCCC[N@H+](C)C(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542476242 1119573611 /nfs/dbraw/zinc/57/36/11/1119573611.db2.gz CVWRLSRDRQSKSS-FQEVSTJZSA-N 1 0 359.470 4.160 20 5 FIBDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001203497297 1119723700 /nfs/dbraw/zinc/72/37/00/1119723700.db2.gz PFRYUHMVUSJNNN-IUODEOHRSA-N 1 0 353.260 4.439 20 5 FIBDRO CCc1ccc([C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542495131 1120088914 /nfs/dbraw/zinc/08/89/14/1120088914.db2.gz RWPIFRYABQNMNZ-LIRRHRJNSA-N 1 0 360.454 4.226 20 5 FIBDRO Cc1c(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000494980285 1120407633 /nfs/dbraw/zinc/40/76/33/1120407633.db2.gz PKYHVNULWKLPOI-HNAYVOBHSA-N 1 0 358.413 4.300 20 5 FIBDRO COc1ccc(OC)c([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000495437317 1120822542 /nfs/dbraw/zinc/82/25/42/1120822542.db2.gz BINCYMNCDSQXJG-GFCCVEGCSA-N 1 0 364.829 4.159 20 5 FIBDRO C[NH+](C)CCCOc1ccc(CNc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000487944912 1120922575 /nfs/dbraw/zinc/92/25/75/1120922575.db2.gz LOLWGQONEYXAHN-UHFFFAOYSA-N 1 0 363.845 4.191 20 5 FIBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000915357635 1120932346 /nfs/dbraw/zinc/93/23/46/1120932346.db2.gz FQYPSCLHPJLAOI-CYBMUJFWSA-N 1 0 368.865 4.024 20 5 FIBDRO CCC[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1cccc([N+](=O)[O-])c1 ZINC000090546542 1120936867 /nfs/dbraw/zinc/93/68/67/1120936867.db2.gz ZPRGSCKLMVRMIX-SFHVURJKSA-N 1 0 356.422 4.387 20 5 FIBDRO CCC[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1cccc([N+](=O)[O-])c1 ZINC000090546545 1120946122 /nfs/dbraw/zinc/94/61/22/1120946122.db2.gz ZPRGSCKLMVRMIX-GOSISDBHSA-N 1 0 356.422 4.387 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000153611852 1120949537 /nfs/dbraw/zinc/94/95/37/1120949537.db2.gz BZNOQCZQMZTMJS-QGZVFWFLSA-N 1 0 354.450 4.302 20 5 FIBDRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000153714179 1121044844 /nfs/dbraw/zinc/04/48/44/1121044844.db2.gz UCEAIXXDPGMHHV-CQSZACIVSA-N 1 0 368.412 4.387 20 5 FIBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000056327565 1121219881 /nfs/dbraw/zinc/21/98/81/1121219881.db2.gz CTXGDABFNOQDDT-UHFFFAOYSA-N 1 0 373.840 4.139 20 5 FIBDRO CCc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000916149143 1121433220 /nfs/dbraw/zinc/43/32/20/1121433220.db2.gz TWEGNQOZUBOHLU-LBPRGKRZSA-N 1 0 361.829 4.100 20 5 FIBDRO COc1cc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1OC(F)F ZINC000553219866 1122023795 /nfs/dbraw/zinc/02/37/95/1122023795.db2.gz QHWIVOSYGWCQKS-GFCCVEGCSA-N 1 0 366.364 4.364 20 5 FIBDRO C[C@](O)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000765815874 1122121944 /nfs/dbraw/zinc/12/19/44/1122121944.db2.gz LMWHCCZQZFETJX-ICSRJNTNSA-N 1 0 374.868 4.067 20 5 FIBDRO C[N@@H+]1CCC[C@H](CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301203368 1122155320 /nfs/dbraw/zinc/15/53/20/1122155320.db2.gz NOGJQEJESCXICM-SECBINFHSA-N 1 0 351.756 4.021 20 5 FIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000301505546 1122193150 /nfs/dbraw/zinc/19/31/50/1122193150.db2.gz FNWQHQIDGLGMQW-SNVBAGLBSA-N 1 0 368.220 4.191 20 5 FIBDRO COc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301520576 1122199401 /nfs/dbraw/zinc/19/94/01/1122199401.db2.gz FIYQJCWRHSELJA-YJBOKZPZSA-N 1 0 355.438 4.068 20 5 FIBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000301531112 1122207997 /nfs/dbraw/zinc/20/79/97/1122207997.db2.gz PKFMYJRSDJHXLT-OAHLLOKOSA-N 1 0 365.430 4.053 20 5 FIBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000301544737 1122219059 /nfs/dbraw/zinc/21/90/59/1122219059.db2.gz OPADDSUAMSUSOR-UKRRQHHQSA-N 1 0 360.845 4.108 20 5 FIBDRO Cc1c([C@H](C)[NH2+]CC2(c3ccccc3)CCOCC2)cccc1[N+](=O)[O-] ZINC000153612228 1122244926 /nfs/dbraw/zinc/24/49/26/1122244926.db2.gz RXPKVSKRDPDEJO-KRWDZBQOSA-N 1 0 354.450 4.302 20 5 FIBDRO CC[C@@H](C)[N@@H+](Cc1ccccc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000917455062 1122320598 /nfs/dbraw/zinc/32/05/98/1122320598.db2.gz PZKBKBJHKAHUJV-MRXNPFEDSA-N 1 0 365.437 4.112 20 5 FIBDRO CC[C@H](C)[N@@H+](Cc1ccccc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000917455061 1122320777 /nfs/dbraw/zinc/32/07/77/1122320777.db2.gz PZKBKBJHKAHUJV-INIZCTEOSA-N 1 0 365.437 4.112 20 5 FIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000556119092 1122669876 /nfs/dbraw/zinc/66/98/76/1122669876.db2.gz ORJUNGUSBAPFCH-LRQRDZAKSA-N 1 0 353.466 4.389 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000556230664 1122757437 /nfs/dbraw/zinc/75/74/37/1122757437.db2.gz AEAXUQQJGHIITF-GFCCVEGCSA-N 1 0 353.344 4.210 20 5 FIBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000194857124 1122932510 /nfs/dbraw/zinc/93/25/10/1122932510.db2.gz PWBIOHQUIYLOLH-QGZVFWFLSA-N 1 0 373.497 4.020 20 5 FIBDRO CCOc1ccc([C@H](C)[NH2+]CC2(c3ccccn3)CCC2)cc1[N+](=O)[O-] ZINC000556923513 1123233208 /nfs/dbraw/zinc/23/32/08/1123233208.db2.gz KJCFOSQJZGHEFL-HNNXBMFYSA-N 1 0 355.438 4.161 20 5 FIBDRO COc1ccc([C@@H](CNc2cccc(F)c2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000919962495 1123287290 /nfs/dbraw/zinc/28/72/90/1123287290.db2.gz FGDCACFFJQCCFB-LJQANCHMSA-N 1 0 373.428 4.382 20 5 FIBDRO Cc1ccc(-c2nc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000609599722 1123765289 /nfs/dbraw/zinc/76/52/89/1123765289.db2.gz ZGLJIJWONKBCTL-UHFFFAOYSA-N 1 0 353.447 4.359 20 5 FIBDRO Cc1ccccc1C[N@@H+]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609705233 1123803889 /nfs/dbraw/zinc/80/38/89/1123803889.db2.gz JFJHORYUGKEIFG-UHFFFAOYSA-N 1 0 373.884 4.265 20 5 FIBDRO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000609825919 1123850538 /nfs/dbraw/zinc/85/05/38/1123850538.db2.gz BKCPFUSLZFLYGX-MLGOLLRUSA-N 1 0 372.412 4.127 20 5 FIBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000609891836 1123880893 /nfs/dbraw/zinc/88/08/93/1123880893.db2.gz ZPIWECXYLNPZLR-AWEZNQCLSA-N 1 0 354.863 4.200 20 5 FIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000610089363 1123936903 /nfs/dbraw/zinc/93/69/03/1123936903.db2.gz RGLKLKWJSCKMKO-UHFFFAOYSA-N 1 0 363.417 4.345 20 5 FIBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)cc1 ZINC000765848138 1124151550 /nfs/dbraw/zinc/15/15/50/1124151550.db2.gz GAVCTYRZYYSVBI-CVEARBPZSA-N 1 0 367.232 4.212 20 5 FIBDRO CC(C)[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccnn1C ZINC000615943506 1124171465 /nfs/dbraw/zinc/17/14/65/1124171465.db2.gz QVHDCXTUBQIMDW-KRWDZBQOSA-N 1 0 368.437 4.118 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cccc4c3OCO4)s2)cc1 ZINC000238001381 1124224732 /nfs/dbraw/zinc/22/47/32/1124224732.db2.gz WOIQEJMXIQZIEU-UHFFFAOYSA-N 1 0 368.414 4.342 20 5 FIBDRO CCOc1cc(C[NH2+][C@H](C)c2ccc(OC)c(OC)c2C)ccc1[N+](=O)[O-] ZINC000553960918 1124236374 /nfs/dbraw/zinc/23/63/74/1124236374.db2.gz OVVZAHRSYXFLQD-CQSZACIVSA-N 1 0 374.437 4.170 20 5 FIBDRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000153708462 1124340392 /nfs/dbraw/zinc/34/03/92/1124340392.db2.gz YVXQRMAMBGUERJ-CQSZACIVSA-N 1 0 368.412 4.387 20 5 FIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000428838460 1124498997 /nfs/dbraw/zinc/49/89/97/1124498997.db2.gz HDPWKNONEBJPRD-MRXNPFEDSA-N 1 0 355.438 4.313 20 5 FIBDRO CC(=O)c1ccc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000301678226 1124949052 /nfs/dbraw/zinc/94/90/52/1124949052.db2.gz RNYWHKGHFFIEDV-MRXNPFEDSA-N 1 0 373.497 4.278 20 5 FIBDRO Cc1ccc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000181533136 1125000001 /nfs/dbraw/zinc/00/00/01/1125000001.db2.gz NDXAUAPNQIWYEJ-UHFFFAOYSA-N 1 0 358.413 4.224 20 5 FIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCc4cc(O)ccc4C3)o2)cc1 ZINC000618197890 1125112017 /nfs/dbraw/zinc/11/20/17/1125112017.db2.gz RHCZMJUOSJFJRL-QGZVFWFLSA-N 1 0 364.401 4.208 20 5 FIBDRO Cc1nc(C)c(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)s1 ZINC000113340085 1125154838 /nfs/dbraw/zinc/15/48/38/1125154838.db2.gz IYRULQPZTVIZLH-UHFFFAOYSA-N 1 0 374.491 4.124 20 5 FIBDRO C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311547105 1125185963 /nfs/dbraw/zinc/18/59/63/1125185963.db2.gz OUOZAOGHOCYDRE-MAUKXSAKSA-N 1 0 373.884 4.248 20 5 FIBDRO C[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000311850867 1125232845 /nfs/dbraw/zinc/23/28/45/1125232845.db2.gz SJRSXTIWISVEFY-LNLFQRSKSA-N 1 0 353.466 4.156 20 5 FIBDRO COCc1cc([N+](=O)[O-])ccc1NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000301760886 1125233099 /nfs/dbraw/zinc/23/30/99/1125233099.db2.gz CMNIJMVCZVEKPU-UHFFFAOYSA-N 1 0 361.486 4.196 20 5 FIBDRO O=[N+]([O-])c1ccc(N2CCC(CCC[NH+]3CCCC3)CC2)c2ccncc21 ZINC000301773846 1125256844 /nfs/dbraw/zinc/25/68/44/1125256844.db2.gz FQUGUXRQBBZMPG-UHFFFAOYSA-N 1 0 368.481 4.235 20 5 FIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000097039152 222154196 /nfs/dbraw/zinc/15/41/96/222154196.db2.gz FLBNNWVAFKMGJI-INIZCTEOSA-N 1 0 357.429 4.003 20 5 FIBDRO C[C@H]([NH2+][C@@H](C)c1cccc2ccccc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000098068112 222225841 /nfs/dbraw/zinc/22/58/41/222225841.db2.gz UDGOMVYXQYTWTA-GJZGRUSLSA-N 1 0 363.417 4.426 20 5 FIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481715107 568093832 /nfs/dbraw/zinc/09/38/32/568093832.db2.gz WRFMFPATUWFOEK-IERDGZPVSA-N 1 0 352.434 4.486 20 5 FIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cc(-c2ccccc2)on1)C1CC1 ZINC000482011839 568226885 /nfs/dbraw/zinc/22/68/85/568226885.db2.gz FARKVCHFIULHEV-IBGZPJMESA-N 1 0 363.417 4.361 20 5 FIBDRO CC1CC[NH+](C[C@H]2CCCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C2)CC1 ZINC000302002708 568311400 /nfs/dbraw/zinc/31/14/00/568311400.db2.gz XPLGNHAQFUQOKS-QGZVFWFLSA-N 1 0 368.481 4.091 20 5 FIBDRO Cc1c(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)cccc1[N+](=O)[O-] ZINC000181983990 568340352 /nfs/dbraw/zinc/34/03/52/568340352.db2.gz IZVJJHGNCGQRSG-FQEVSTJZSA-N 1 0 356.422 4.161 20 5 FIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000569443635 568402469 /nfs/dbraw/zinc/40/24/69/568402469.db2.gz NBKKJEDEPYROGE-ZDUSSCGKSA-N 1 0 373.840 4.244 20 5 FIBDRO COc1ccc(COCCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000482238719 568515615 /nfs/dbraw/zinc/51/56/15/568515615.db2.gz AZOPIXJCXHWGLB-INIZCTEOSA-N 1 0 358.438 4.169 20 5 FIBDRO